*HEADER    PROTEIN BINDING/PEPTIDE                 14-DEC-15   2N9X              
*TITLE     LC3 FUNDC1 COMPLEX STRUCTURE                                          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: MICROTUBULE-ASSOCIATED PROTEINS 1A/1B LIGHT CHAIN 3B;      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: AUTOPHAGY-RELATED PROTEIN LC3 B, AUTOPHAGY-RELATED          
*COMPND   5 UBIQUITIN-LIKE MODIFIER LC3 B, MAP1 LIGHT CHAIN 3-LIKE PROTEIN 2,    
*COMPND   6 MAP1A/MAP1B LIGHT CHAIN 3 B, MAP1A/MAP1B LC3 B, MICROTUBULE-         
*COMPND   7 ASSOCIATED PROTEIN 1 LIGHT CHAIN 3 BETA;                             
*COMPND   8 ENGINEERED: YES;                                                     
*COMPND   9 MOL_ID: 2;                                                           
*COMPND  10 MOLECULE: FUN14 DOMAIN-CONTAINING PROTEIN 1;                         
*COMPND  11 CHAIN: B;                                                            
*COMPND  12 FRAGMENT: UNP RESIDUES 10-26;                                        
*COMPND  13 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: MAP1LC3B, MAP1ALC3;                                            
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET30A;                                    
*SOURCE  10 MOL_ID: 2;                                                           
*SOURCE  11 SYNTHETIC: YES;                                                      
*SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
*SOURCE  14 ORGANISM_TAXID: 9606                                                 
*KEYWDS    PROTEIN/PEPTIDE, LC3 INTERACTING REGION (LIR), PROTEIN BINDING-       
*KEYWDS   2 PEPTIDE COMPLEX                                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    B.XIA, Y.KUANG                                                        
*REVDAT   1   14-DEC-16 2N9X    0                                                


# 2271 atoms read from pdb file prm1.pdb.
# 6 THR PHI:  (5 LYS C)-(6 THR N)-(6 THR CA)-(6 THR C) -122.5 -40.0
 &rst     iat =    80,    82,    84,    94,
   r1 = -123.5, r2 = -122.5, r3 = -40.0, r4 = -39.0,
   rk2 = 100.0, rk3 = 100.0,    &end

# 6 THR PSI:  (6 THR N)-(6 THR CA)-(6 THR C)-(7 PHE N) 124.9 184.9
 &rst     iat =    82,    84,    94,    96,
   r1 = 123.9, r2 = 124.9, r3 = 184.9, r4 = 185.9,
 &end

# 7 PHE PHI:  (6 THR C)-(7 PHE N)-(7 PHE CA)-(7 PHE C) -86.3 -26.3
 &rst     iat =    94,    96,    98,   114,
   r1 = -87.3, r2 = -86.3, r3 = -26.3, r4 = -25.3,
 &end

# 7 PHE PSI:  (7 PHE N)-(7 PHE CA)-(7 PHE C)-(8 LYS N) -70.5 -10.5
 &rst     iat =    96,    98,   114,   116,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 8 LYS PHI:  (7 PHE C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -101.9 -41.9
 &rst     iat =   114,   116,   118,   136,
   r1 = -102.9, r2 = -101.9, r3 = -41.9, r4 = -40.9,
 &end

# 8 LYS PSI:  (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 GLN N) -66.9  -6.9
 &rst     iat =   116,   118,   136,   138,
   r1 = -67.9, r2 = -66.9, r3 =  -6.9, r4 =  -5.9,
 &end

# 9 GLN PHI:  (8 LYS C)-(9 GLN N)-(9 GLN CA)-(9 GLN C) -122.5 -62.5
 &rst     iat =   136,   138,   140,   153,
   r1 = -123.5, r2 = -122.5, r3 = -62.5, r4 = -61.5,
 &end

# 9 GLN PSI:  (9 GLN N)-(9 GLN CA)-(9 GLN C)-(10 ARG N) -43.5  16.5
 &rst     iat =   138,   140,   153,   155,
   r1 = -44.5, r2 = -43.5, r3 =  16.5, r4 =  17.5,
 &end

# 11 ARG PHI:  (10 ARG C)-(11 ARG N)-(11 ARG CA)-(11 ARG C) -153.9 -93.9
 &rst     iat =   177,   179,   181,   201,
   r1 = -154.9, r2 = -153.9, r3 = -93.9, r4 = -92.9,
 &end

# 11 ARG PSI:  (11 ARG N)-(11 ARG CA)-(11 ARG C)-(12 THR N)  90.0 173.0
 &rst     iat =   179,   181,   201,   203,
   r1 =  89.0, r2 =  90.0, r3 = 173.0, r4 = 174.0,
 &end

# 12 THR PHI:  (11 ARG C)-(12 THR N)-(12 THR CA)-(12 THR C) -170.0 -62.2
 &rst     iat =   201,   203,   205,   215,
   r1 = -171.0, r2 = -170.0, r3 = -62.2, r4 = -61.2,
 &end

# 12 THR PSI:  (12 THR N)-(12 THR CA)-(12 THR C)-(13 PHE N) 130.1 190.1
 &rst     iat =   203,   205,   215,   217,
   r1 = 129.1, r2 = 130.1, r3 = 190.1, r4 = 191.1,
 &end

# 13 PHE PHI:  (12 THR C)-(13 PHE N)-(13 PHE CA)-(13 PHE C) -87.5 -27.5
 &rst     iat =   215,   217,   219,   235,
   r1 = -88.5, r2 = -87.5, r3 = -27.5, r4 = -26.5,
 &end

# 13 PHE PSI:  (13 PHE N)-(13 PHE CA)-(13 PHE C)-(14 GLU N) -71.4 -11.4
 &rst     iat =   217,   219,   235,   237,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &end

# 14 GLU PHI:  (13 PHE C)-(14 GLU N)-(14 GLU CA)-(14 GLU C) -91.1 -31.1
 &rst     iat =   235,   237,   239,   250,
   r1 = -92.1, r2 = -91.1, r3 = -31.1, r4 = -30.1,
 &end

# 14 GLU PSI:  (14 GLU N)-(14 GLU CA)-(14 GLU C)-(15 GLN N) -74.0 -14.0
 &rst     iat =   237,   239,   250,   252,
   r1 = -75.0, r2 = -74.0, r3 = -14.0, r4 = -13.0,
 &end

# 15 GLN PHI:  (14 GLU C)-(15 GLN N)-(15 GLN CA)-(15 GLN C) -95.2 -35.2
 &rst     iat =   250,   252,   254,   267,
   r1 = -96.2, r2 = -95.2, r3 = -35.2, r4 = -34.2,
 &end

# 15 GLN PSI:  (15 GLN N)-(15 GLN CA)-(15 GLN C)-(16 ARG N) -71.3 -11.3
 &rst     iat =   252,   254,   267,   269,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end

# 16 ARG PHI:  (15 GLN C)-(16 ARG N)-(16 ARG CA)-(16 ARG C) -93.2 -33.2
 &rst     iat =   267,   269,   271,   291,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 16 ARG PSI:  (16 ARG N)-(16 ARG CA)-(16 ARG C)-(17 VAL N) -72.7 -12.7
 &rst     iat =   269,   271,   291,   293,
   r1 = -73.7, r2 = -72.7, r3 = -12.7, r4 = -11.7,
 &end

# 17 VAL PHI:  (16 ARG C)-(17 VAL N)-(17 VAL CA)-(17 VAL C) -99.4 -39.4
 &rst     iat =   291,   293,   295,   307,
   r1 = -100.4, r2 = -99.4, r3 = -39.4, r4 = -38.4,
 &end

# 17 VAL PSI:  (17 VAL N)-(17 VAL CA)-(17 VAL C)-(18 GLU N) -65.6  -5.6
 &rst     iat =   293,   295,   307,   309,
   r1 = -66.6, r2 = -65.6, r3 =  -5.6, r4 =  -4.6,
 &end

# 18 GLU PHI:  (17 VAL C)-(18 GLU N)-(18 GLU CA)-(18 GLU C) -101.2 -41.2
 &rst     iat =   307,   309,   311,   322,
   r1 = -102.2, r2 = -101.2, r3 = -41.2, r4 = -40.2,
 &end

# 18 GLU PSI:  (18 GLU N)-(18 GLU CA)-(18 GLU C)-(19 ASP N) -63.9  -3.9
 &rst     iat =   309,   311,   322,   324,
   r1 = -64.9, r2 = -63.9, r3 =  -3.9, r4 =  -2.9,
 &end

# 19 ASP PHI:  (18 GLU C)-(19 ASP N)-(19 ASP CA)-(19 ASP C) -98.7 -38.7
 &rst     iat =   322,   324,   326,   334,
   r1 = -99.7, r2 = -98.7, r3 = -38.7, r4 = -37.7,
 &end

# 19 ASP PSI:  (19 ASP N)-(19 ASP CA)-(19 ASP C)-(20 VAL N) -73.5 -13.5
 &rst     iat =   324,   326,   334,   336,
   r1 = -74.5, r2 = -73.5, r3 = -13.5, r4 = -12.5,
 &end

# 20 VAL PHI:  (19 ASP C)-(20 VAL N)-(20 VAL CA)-(20 VAL C) -90.2 -30.2
 &rst     iat =   334,   336,   338,   350,
   r1 = -91.2, r2 = -90.2, r3 = -30.2, r4 = -29.2,
 &end

# 20 VAL PSI:  (20 VAL N)-(20 VAL CA)-(20 VAL C)-(21 ARG N) -75.7 -15.7
 &rst     iat =   336,   338,   350,   352,
   r1 = -76.7, r2 = -75.7, r3 = -15.7, r4 = -14.7,
 &end

# 21 ARG PHI:  (20 VAL C)-(21 ARG N)-(21 ARG CA)-(21 ARG C) -92.3 -32.3
 &rst     iat =   350,   352,   354,   374,
   r1 = -93.3, r2 = -92.3, r3 = -32.3, r4 = -31.3,
 &end

# 21 ARG PSI:  (21 ARG N)-(21 ARG CA)-(21 ARG C)-(22 LEU N) -69.3  -9.3
 &rst     iat =   352,   354,   374,   376,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 23 ILE PHI:  (22 LEU C)-(23 ILE N)-(23 ILE CA)-(23 ILE C) -103.1 -43.1
 &rst     iat =   393,   395,   397,   412,
   r1 = -104.1, r2 = -103.1, r3 = -43.1, r4 = -42.1,
 &end

# 23 ILE PSI:  (23 ILE N)-(23 ILE CA)-(23 ILE C)-(24 ARG N) -48.9  11.1
 &rst     iat =   395,   397,   412,   414,
   r1 = -49.9, r2 = -48.9, r3 =  11.1, r4 =  12.1,
 &end

# 24 ARG PHI:  (23 ILE C)-(24 ARG N)-(24 ARG CA)-(24 ARG C) -92.0 -32.0
 &rst     iat =   412,   414,   416,   436,
   r1 = -93.0, r2 = -92.0, r3 = -32.0, r4 = -31.0,
 &end

# 24 ARG PSI:  (24 ARG N)-(24 ARG CA)-(24 ARG C)-(25 GLU N) -63.0  -3.0
 &rst     iat =   414,   416,   436,   438,
   r1 = -64.0, r2 = -63.0, r3 =  -3.0, r4 =  -2.0,
 &end

# 25 GLU PHI:  (24 ARG C)-(25 GLU N)-(25 GLU CA)-(25 GLU C) -98.8 -38.8
 &rst     iat =   436,   438,   440,   451,
   r1 = -99.8, r2 = -98.8, r3 = -38.8, r4 = -37.8,
 &end

# 25 GLU PSI:  (25 GLU N)-(25 GLU CA)-(25 GLU C)-(26 GLN N) -66.8  -6.8
 &rst     iat =   438,   440,   451,   453,
   r1 = -67.8, r2 = -66.8, r3 =  -6.8, r4 =  -5.8,
 &end

# 26 GLN PHI:  (25 GLU C)-(26 GLN N)-(26 GLN CA)-(26 GLN C) -114.3 -54.3
 &rst     iat =   451,   453,   455,   468,
   r1 = -115.3, r2 = -114.3, r3 = -54.3, r4 = -53.3,
 &end

# 26 GLN PSI:  (26 GLN N)-(26 GLN CA)-(26 GLN C)-(27 HIS N) -52.1   7.9
 &rst     iat =   453,   455,   468,   470,
   r1 = -53.1, r2 = -52.1, r3 =   7.9, r4 =   8.9,
 &end

# 27 HIS PHI:  (26 GLN C)-(27 HIS N)-(27 HIS CA)-(27 HIS C) -154.9 -94.9
 &rst     iat =   468,   470,   472,   486,
   r1 = -155.9, r2 = -154.9, r3 = -94.9, r4 = -93.9,
 &end

# 27 HIS PSI:  (27 HIS N)-(27 HIS CA)-(27 HIS C)-(28 PRO N)  45.1 105.1
 &rst     iat =   470,   472,   486,   488,
   r1 =  44.1, r2 =  45.1, r3 = 105.1, r4 = 106.1,
 &end

# 30 LYS PHI:  (29 THR C)-(30 LYS N)-(30 LYS CA)-(30 LYS C) -170.0 -45.0
 &rst     iat =   514,   516,   518,   536,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 30 LYS PSI:  (30 LYS N)-(30 LYS CA)-(30 LYS C)-(31 ILE N) 122.8 182.8
 &rst     iat =   516,   518,   536,   538,
   r1 = 121.8, r2 = 122.8, r3 = 182.8, r4 = 183.8,
 &end

# 31 ILE PHI:  (30 LYS C)-(31 ILE N)-(31 ILE CA)-(31 ILE C) -146.6 -86.6
 &rst     iat =   536,   538,   540,   555,
   r1 = -147.6, r2 = -146.6, r3 = -86.6, r4 = -85.6,
 &end

# 31 ILE PSI:  (31 ILE N)-(31 ILE CA)-(31 ILE C)-(32 PRO N)  96.5 156.5
 &rst     iat =   538,   540,   555,   557,
   r1 =  95.5, r2 =  96.5, r3 = 156.5, r4 = 157.5,
 &end

# 33 VAL PHI:  (32 PRO C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -143.5 -83.5
 &rst     iat =   569,   571,   573,   585,
   r1 = -144.5, r2 = -143.5, r3 = -83.5, r4 = -82.5,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 ILE N) 100.1 160.1
 &rst     iat =   571,   573,   585,   587,
   r1 =  99.1, r2 = 100.1, r3 = 160.1, r4 = 161.1,
 &end

# 34 ILE PHI:  (33 VAL C)-(34 ILE N)-(34 ILE CA)-(34 ILE C) -139.7 -79.7
 &rst     iat =   585,   587,   589,   604,
   r1 = -140.7, r2 = -139.7, r3 = -79.7, r4 = -78.7,
 &end

# 34 ILE PSI:  (34 ILE N)-(34 ILE CA)-(34 ILE C)-(35 ILE N)  95.3 155.3
 &rst     iat =   587,   589,   604,   606,
   r1 =  94.3, r2 =  95.3, r3 = 155.3, r4 = 156.3,
 &end

# 35 ILE PHI:  (34 ILE C)-(35 ILE N)-(35 ILE CA)-(35 ILE C) -137.5 -77.5
 &rst     iat =   604,   606,   608,   623,
   r1 = -138.5, r2 = -137.5, r3 = -77.5, r4 = -76.5,
 &end

# 35 ILE PSI:  (35 ILE N)-(35 ILE CA)-(35 ILE C)-(36 GLU N)  90.0 180.0
 &rst     iat =   606,   608,   623,   625,
   r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
 &end

# 36 GLU PHI:  (35 ILE C)-(36 GLU N)-(36 GLU CA)-(36 GLU C) -170.0 -45.0
 &rst     iat =   623,   625,   627,   638,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 36 GLU PSI:  (36 GLU N)-(36 GLU CA)-(36 GLU C)-(37 ARG N) 114.7 174.7
 &rst     iat =   625,   627,   638,   640,
   r1 = 113.7, r2 = 114.7, r3 = 174.7, r4 = 175.7,
 &end

# 37 ARG PHI:  (36 GLU C)-(37 ARG N)-(37 ARG CA)-(37 ARG C) -112.4 -52.4
 &rst     iat =   638,   640,   642,   662,
   r1 = -113.4, r2 = -112.4, r3 = -52.4, r4 = -51.4,
 &end

# 37 ARG PSI:  (37 ARG N)-(37 ARG CA)-(37 ARG C)-(38 TYR N)  97.8 157.8
 &rst     iat =   640,   642,   662,   664,
   r1 =  96.8, r2 =  97.8, r3 = 157.8, r4 = 158.8,
 &end

# 38 TYR PHI:  (37 ARG C)-(38 TYR N)-(38 TYR CA)-(38 TYR C) -116.2 -56.2
 &rst     iat =   662,   664,   666,   683,
   r1 = -117.2, r2 = -116.2, r3 = -56.2, r4 = -55.2,
 &end

# 38 TYR PSI:  (38 TYR N)-(38 TYR CA)-(38 TYR C)-(39 LYS N)  97.8 157.8
 &rst     iat =   664,   666,   683,   685,
   r1 =  96.8, r2 =  97.8, r3 = 157.8, r4 = 158.8,
 &end

# 44 LEU PHI:  (43 GLN C)-(44 LEU N)-(44 LEU CA)-(44 LEU C) -126.8 -66.8
 &rst     iat =   766,   768,   770,   785,
   r1 = -127.8, r2 = -126.8, r3 = -66.8, r4 = -65.8,
 &end

# 44 LEU PSI:  (44 LEU N)-(44 LEU CA)-(44 LEU C)-(45 PRO N) 109.8 169.8
 &rst     iat =   768,   770,   785,   787,
   r1 = 108.8, r2 = 109.8, r3 = 169.8, r4 = 170.8,
 &end

# 51 LYS PHI:  (50 THR C)-(51 LYS N)-(51 LYS CA)-(51 LYS C) -170.0 -45.0
 &rst     iat =   882,   884,   886,   904,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 51 LYS PSI:  (51 LYS N)-(51 LYS CA)-(51 LYS C)-(52 PHE N)  90.0 180.0
 &rst     iat =   884,   886,   904,   906,
   r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
 &end

# 52 PHE PHI:  (51 LYS C)-(52 PHE N)-(52 PHE CA)-(52 PHE C) -170.0 -45.0
 &rst     iat =   904,   906,   908,   924,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 52 PHE PSI:  (52 PHE N)-(52 PHE CA)-(52 PHE C)-(53 LEU N) 120.6 180.6
 &rst     iat =   906,   908,   924,   926,
   r1 = 119.6, r2 = 120.6, r3 = 180.6, r4 = 181.6,
 &end

# 53 LEU PHI:  (52 PHE C)-(53 LEU N)-(53 LEU CA)-(53 LEU C) -154.5 -94.5
 &rst     iat =   924,   926,   928,   943,
   r1 = -155.5, r2 = -154.5, r3 = -94.5, r4 = -93.5,
 &end

# 53 LEU PSI:  (53 LEU N)-(53 LEU CA)-(53 LEU C)-(54 VAL N)  90.0 180.0
 &rst     iat =   926,   928,   943,   945,
   r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
 &end

# 54 VAL PHI:  (53 LEU C)-(54 VAL N)-(54 VAL CA)-(54 VAL C) -146.7 -86.7
 &rst     iat =   943,   945,   947,   959,
   r1 = -147.7, r2 = -146.7, r3 = -86.7, r4 = -85.7,
 &end

# 54 VAL PSI:  (54 VAL N)-(54 VAL CA)-(54 VAL C)-(55 PRO N) 106.1 166.1
 &rst     iat =   945,   947,   959,   961,
   r1 = 105.1, r2 = 106.1, r3 = 166.1, r4 = 167.1,
 &end

# 56 ASP PHI:  (55 PRO C)-(56 ASP N)-(56 ASP CA)-(56 ASP C) -91.8 -31.8
 &rst     iat =   973,   975,   977,   985,
   r1 = -92.8, r2 = -91.8, r3 = -31.8, r4 = -30.8,
 &end

# 56 ASP PSI:  (56 ASP N)-(56 ASP CA)-(56 ASP C)-(57 HIS N) -56.5   3.5
 &rst     iat =   975,   977,   985,   987,
   r1 = -57.5, r2 = -56.5, r3 =   3.5, r4 =   4.5,
 &end

# 57 HIS PHI:  (56 ASP C)-(57 HIS N)-(57 HIS CA)-(57 HIS C) -117.8 -30.0
 &rst     iat =   985,   987,   989,  1003,
   r1 = -118.8, r2 = -117.8, r3 = -30.0, r4 = -29.0,
 &end

# 57 HIS PSI:  (57 HIS N)-(57 HIS CA)-(57 HIS C)-(58 VAL N) -34.3  25.7
 &rst     iat =   987,   989,  1003,  1005,
   r1 = -35.3, r2 = -34.3, r3 =  25.7, r4 =  26.7,
 &end

# 58 VAL PHI:  (57 HIS C)-(58 VAL N)-(58 VAL CA)-(58 VAL C) -119.1 -59.1
 &rst     iat =  1003,  1005,  1007,  1019,
   r1 = -120.1, r2 = -119.1, r3 = -59.1, r4 = -58.1,
 &end

# 58 VAL PSI:  (58 VAL N)-(58 VAL CA)-(58 VAL C)-(59 ASN N) 102.2 162.2
 &rst     iat =  1005,  1007,  1019,  1021,
   r1 = 101.2, r2 = 102.2, r3 = 162.2, r4 = 163.2,
 &end

# 60 MET PHI:  (59 ASN C)-(60 MET N)-(60 MET CA)-(60 MET C) -89.0 -29.0
 &rst     iat =  1033,  1035,  1037,  1050,
   r1 = -90.0, r2 = -89.0, r3 = -29.0, r4 = -28.0,
 &end

# 60 MET PSI:  (60 MET N)-(60 MET CA)-(60 MET C)-(61 SER N) -69.7  -9.7
 &rst     iat =  1035,  1037,  1050,  1052,
   r1 = -70.7, r2 = -69.7, r3 =  -9.7, r4 =  -8.7,
 &end

# 61 SER PHI:  (60 MET C)-(61 SER N)-(61 SER CA)-(61 SER C) -95.4 -35.4
 &rst     iat =  1050,  1052,  1054,  1061,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 61 SER PSI:  (61 SER N)-(61 SER CA)-(61 SER C)-(62 GLU N) -64.4  -4.4
 &rst     iat =  1052,  1054,  1061,  1063,
   r1 = -65.4, r2 = -64.4, r3 =  -4.4, r4 =  -3.4,
 &end

# 62 GLU PHI:  (61 SER C)-(62 GLU N)-(62 GLU CA)-(62 GLU C) -94.5 -34.5
 &rst     iat =  1061,  1063,  1065,  1076,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 62 GLU PSI:  (62 GLU N)-(62 GLU CA)-(62 GLU C)-(63 LEU N) -71.8 -11.8
 &rst     iat =  1063,  1065,  1076,  1078,
   r1 = -72.8, r2 = -71.8, r3 = -11.8, r4 = -10.8,
 &end

# 63 LEU PHI:  (62 GLU C)-(63 LEU N)-(63 LEU CA)-(63 LEU C) -91.9 -31.9
 &rst     iat =  1076,  1078,  1080,  1095,
   r1 = -92.9, r2 = -91.9, r3 = -31.9, r4 = -30.9,
 &end

# 63 LEU PSI:  (63 LEU N)-(63 LEU CA)-(63 LEU C)-(64 ILE N) -71.8 -11.9
 &rst     iat =  1078,  1080,  1095,  1097,
   r1 = -72.8, r2 = -71.8, r3 = -11.9, r4 = -10.9,
 &end

# 64 ILE PHI:  (63 LEU C)-(64 ILE N)-(64 ILE CA)-(64 ILE C) -91.4 -31.4
 &rst     iat =  1095,  1097,  1099,  1114,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end

# 64 ILE PSI:  (64 ILE N)-(64 ILE CA)-(64 ILE C)-(65 LYS N) -72.0 -12.0
 &rst     iat =  1097,  1099,  1114,  1116,
   r1 = -73.0, r2 = -72.0, r3 = -12.0, r4 = -11.0,
 &end

# 65 LYS PHI:  (64 ILE C)-(65 LYS N)-(65 LYS CA)-(65 LYS C) -90.8 -30.8
 &rst     iat =  1114,  1116,  1118,  1136,
   r1 = -91.8, r2 = -90.8, r3 = -30.8, r4 = -29.8,
 &end

# 65 LYS PSI:  (65 LYS N)-(65 LYS CA)-(65 LYS C)-(66 ILE N) -68.8  -8.9
 &rst     iat =  1116,  1118,  1136,  1138,
   r1 = -69.8, r2 = -68.8, r3 =  -8.9, r4 =  -7.9,
 &end

# 66 ILE PHI:  (65 LYS C)-(66 ILE N)-(66 ILE CA)-(66 ILE C) -94.7 -34.7
 &rst     iat =  1136,  1138,  1140,  1155,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end

# 66 ILE PSI:  (66 ILE N)-(66 ILE CA)-(66 ILE C)-(67 ILE N) -72.3 -12.3
 &rst     iat =  1138,  1140,  1155,  1157,
   r1 = -73.3, r2 = -72.3, r3 = -12.3, r4 = -11.3,
 &end

# 67 ILE PHI:  (66 ILE C)-(67 ILE N)-(67 ILE CA)-(67 ILE C) -95.1 -35.1
 &rst     iat =  1155,  1157,  1159,  1174,
   r1 = -96.1, r2 = -95.1, r3 = -35.1, r4 = -34.1,
 &end

# 67 ILE PSI:  (67 ILE N)-(67 ILE CA)-(67 ILE C)-(68 ARG N) -74.5 -14.5
 &rst     iat =  1157,  1159,  1174,  1176,
   r1 = -75.5, r2 = -74.5, r3 = -14.5, r4 = -13.5,
 &end

# 68 ARG PHI:  (67 ILE C)-(68 ARG N)-(68 ARG CA)-(68 ARG C) -90.0 -30.0
 &rst     iat =  1174,  1176,  1178,  1198,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 68 ARG PSI:  (68 ARG N)-(68 ARG CA)-(68 ARG C)-(69 ARG N) -74.6 -14.6
 &rst     iat =  1176,  1178,  1198,  1200,
   r1 = -75.6, r2 = -74.6, r3 = -14.6, r4 = -13.6,
 &end

# 69 ARG PHI:  (68 ARG C)-(69 ARG N)-(69 ARG CA)-(69 ARG C) -120.0 -35.1
 &rst     iat =  1198,  1200,  1202,  1222,
   r1 = -121.0, r2 = -120.0, r3 = -35.1, r4 = -34.1,
 &end

# 69 ARG PSI:  (69 ARG N)-(69 ARG CA)-(69 ARG C)-(70 ARG N) -70.3 -10.4
 &rst     iat =  1200,  1202,  1222,  1224,
   r1 = -71.3, r2 = -70.3, r3 = -10.4, r4 =  -9.4,
 &end

# 70 ARG PHI:  (69 ARG C)-(70 ARG N)-(70 ARG CA)-(70 ARG C) -99.7 -39.7
 &rst     iat =  1222,  1224,  1226,  1246,
   r1 = -100.7, r2 = -99.7, r3 = -39.7, r4 = -38.7,
 &end

# 70 ARG PSI:  (70 ARG N)-(70 ARG CA)-(70 ARG C)-(71 LEU N) -54.0   6.0
 &rst     iat =  1224,  1226,  1246,  1248,
   r1 = -55.0, r2 = -54.0, r3 =   6.0, r4 =   7.0,
 &end

# 71 LEU PHI:  (70 ARG C)-(71 LEU N)-(71 LEU CA)-(71 LEU C) -117.2 -57.2
 &rst     iat =  1246,  1248,  1250,  1265,
   r1 = -118.2, r2 = -117.2, r3 = -57.2, r4 = -56.2,
 &end

# 71 LEU PSI:  (71 LEU N)-(71 LEU CA)-(71 LEU C)-(72 GLN N)   0.0 150.0
 &rst     iat =  1248,  1250,  1265,  1267,
   r1 =  -1.0, r2 =   0.0, r3 = 150.0, r4 = 151.0,
 &end

# 75 ALA PHI:  (74 ASN C)-(75 ALA N)-(75 ALA CA)-(75 ALA C) -91.4 -31.4
 &rst     iat =  1315,  1317,  1319,  1325,
   r1 = -92.4, r2 = -91.4, r3 = -31.4, r4 = -30.4,
 &end

# 75 ALA PSI:  (75 ALA N)-(75 ALA CA)-(75 ALA C)-(76 ASN N) -57.9   2.1
 &rst     iat =  1317,  1319,  1325,  1327,
   r1 = -58.9, r2 = -57.9, r3 =   2.1, r4 =   3.1,
 &end

# 77 GLN PHI:  (76 ASN C)-(77 GLN N)-(77 GLN CA)-(77 GLN C) -112.7 -52.7
 &rst     iat =  1339,  1341,  1343,  1356,
   r1 = -113.7, r2 = -112.7, r3 = -52.7, r4 = -51.7,
 &end

# 77 GLN PSI:  (77 GLN N)-(77 GLN CA)-(77 GLN C)-(78 ALA N)  96.7 156.7
 &rst     iat =  1341,  1343,  1356,  1358,
   r1 =  95.7, r2 =  96.7, r3 = 156.7, r4 = 157.7,
 &end

# 78 ALA PHI:  (77 GLN C)-(78 ALA N)-(78 ALA CA)-(78 ALA C) -111.0 -51.0
 &rst     iat =  1356,  1358,  1360,  1366,
   r1 = -112.0, r2 = -111.0, r3 = -51.0, r4 = -50.0,
 &end

# 78 ALA PSI:  (78 ALA N)-(78 ALA CA)-(78 ALA C)-(79 PHE N) 100.8 160.8
 &rst     iat =  1358,  1360,  1366,  1368,
   r1 =  99.8, r2 = 100.8, r3 = 160.8, r4 = 161.8,
 &end

# 79 PHE PHI:  (78 ALA C)-(79 PHE N)-(79 PHE CA)-(79 PHE C) -170.0 -45.0
 &rst     iat =  1366,  1368,  1370,  1386,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 79 PHE PSI:  (79 PHE N)-(79 PHE CA)-(79 PHE C)-(80 PHE N) 104.7 164.7
 &rst     iat =  1368,  1370,  1386,  1388,
   r1 = 103.7, r2 = 104.7, r3 = 164.7, r4 = 165.7,
 &end

# 80 PHE PHI:  (79 PHE C)-(80 PHE N)-(80 PHE CA)-(80 PHE C) -152.3 -92.3
 &rst     iat =  1386,  1388,  1390,  1406,
   r1 = -153.3, r2 = -152.3, r3 = -92.3, r4 = -91.3,
 &end

# 80 PHE PSI:  (80 PHE N)-(80 PHE CA)-(80 PHE C)-(81 LEU N)  96.7 156.7
 &rst     iat =  1388,  1390,  1406,  1408,
   r1 =  95.7, r2 =  96.7, r3 = 156.7, r4 = 157.7,
 &end

# 81 LEU PHI:  (80 PHE C)-(81 LEU N)-(81 LEU CA)-(81 LEU C) -152.9 -92.9
 &rst     iat =  1406,  1408,  1410,  1425,
   r1 = -153.9, r2 = -152.9, r3 = -92.9, r4 = -91.9,
 &end

# 81 LEU PSI:  (81 LEU N)-(81 LEU CA)-(81 LEU C)-(82 LEU N)  90.0 180.0
 &rst     iat =  1408,  1410,  1425,  1427,
   r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
 &end

# 82 LEU PHI:  (81 LEU C)-(82 LEU N)-(82 LEU CA)-(82 LEU C) -138.6 -78.6
 &rst     iat =  1425,  1427,  1429,  1444,
   r1 = -139.6, r2 = -138.6, r3 = -78.6, r4 = -77.6,
 &end

# 82 LEU PSI:  (82 LEU N)-(82 LEU CA)-(82 LEU C)-(83 VAL N)  91.1 151.1
 &rst     iat =  1427,  1429,  1444,  1446,
   r1 =  90.1, r2 =  91.1, r3 = 151.1, r4 = 152.1,
 &end

# 83 VAL PHI:  (82 LEU C)-(83 VAL N)-(83 VAL CA)-(83 VAL C) -140.1 -70.1
 &rst     iat =  1444,  1446,  1448,  1460,
   r1 = -141.1, r2 = -140.1, r3 = -70.1, r4 = -69.1,
 &end

# 83 VAL PSI:  (83 VAL N)-(83 VAL CA)-(83 VAL C)-(84 ASN N)  88.5 148.5
 &rst     iat =  1446,  1448,  1460,  1462,
   r1 =  87.5, r2 =  88.5, r3 = 148.5, r4 = 149.5,
 &end

# 85 GLY PHI:  (84 ASN C)-(85 GLY N)-(85 GLY CA)-(85 GLY C)  48.2 108.2
 &rst     iat =  1474,  1476,  1478,  1481,
   r1 =  47.2, r2 =  48.2, r3 = 108.2, r4 = 109.2,
 &end

# 85 GLY PSI:  (85 GLY N)-(85 GLY CA)-(85 GLY C)-(86 HIS N) -26.6  33.4
 &rst     iat =  1476,  1478,  1481,  1483,
   r1 = -27.6, r2 = -26.6, r3 =  33.4, r4 =  34.4,
 &end

# 86 HIS PHI:  (85 GLY C)-(86 HIS N)-(86 HIS CA)-(86 HIS C) -150.4 -90.4
 &rst     iat =  1481,  1483,  1485,  1499,
   r1 = -151.4, r2 = -150.4, r3 = -90.4, r4 = -89.4,
 &end

# 86 HIS PSI:  (86 HIS N)-(86 HIS CA)-(86 HIS C)-(87 SER N) 110.2 170.2
 &rst     iat =  1483,  1485,  1499,  1501,
   r1 = 109.2, r2 = 110.2, r3 = 170.2, r4 = 171.2,
 &end

# 87 SER PHI:  (86 HIS C)-(87 SER N)-(87 SER CA)-(87 SER C) -124.3 -64.3
 &rst     iat =  1499,  1501,  1503,  1510,
   r1 = -125.3, r2 = -124.3, r3 = -64.3, r4 = -63.3,
 &end

# 87 SER PSI:  (87 SER N)-(87 SER CA)-(87 SER C)-(88 MET N)  89.1 149.1
 &rst     iat =  1501,  1503,  1510,  1512,
   r1 =  88.1, r2 =  89.1, r3 = 149.1, r4 = 150.1,
 &end

# 89 VAL PHI:  (88 MET C)-(89 VAL N)-(89 VAL CA)-(89 VAL C) -108.6 -48.6
 &rst     iat =  1527,  1529,  1531,  1543,
   r1 = -109.6, r2 = -108.6, r3 = -48.6, r4 = -47.6,
 &end

# 89 VAL PSI:  (89 VAL N)-(89 VAL CA)-(89 VAL C)-(90 SER N) -44.3  15.7
 &rst     iat =  1529,  1531,  1543,  1545,
   r1 = -45.3, r2 = -44.3, r3 =  15.7, r4 =  16.7,
 &end

# 95 ILE PHI:  (94 PRO C)-(95 ILE N)-(95 ILE CA)-(95 ILE C) -89.4 -29.4
 &rst     iat =  1609,  1611,  1613,  1628,
   r1 = -90.4, r2 = -89.4, r3 = -29.4, r4 = -28.4,
 &end

# 95 ILE PSI:  (95 ILE N)-(95 ILE CA)-(95 ILE C)-(96 SER N) -63.1  -3.1
 &rst     iat =  1611,  1613,  1628,  1630,
   r1 = -64.1, r2 = -63.1, r3 =  -3.1, r4 =  -2.1,
 &end

# 96 SER PHI:  (95 ILE C)-(96 SER N)-(96 SER CA)-(96 SER C) -92.9 -32.9
 &rst     iat =  1628,  1630,  1632,  1639,
   r1 = -93.9, r2 = -92.9, r3 = -32.9, r4 = -31.9,
 &end

# 96 SER PSI:  (96 SER N)-(96 SER CA)-(96 SER C)-(97 GLU N) -75.2 -15.2
 &rst     iat =  1630,  1632,  1639,  1641,
   r1 = -76.2, r2 = -75.2, r3 = -15.2, r4 = -14.2,
 &end

# 97 GLU PHI:  (96 SER C)-(97 GLU N)-(97 GLU CA)-(97 GLU C) -97.1 -37.1
 &rst     iat =  1639,  1641,  1643,  1654,
   r1 = -98.1, r2 = -97.1, r3 = -37.1, r4 = -36.1,
 &end

# 97 GLU PSI:  (97 GLU N)-(97 GLU CA)-(97 GLU C)-(98 VAL N) -70.8 -10.8
 &rst     iat =  1641,  1643,  1654,  1656,
   r1 = -71.8, r2 = -70.8, r3 = -10.8, r4 =  -9.8,
 &end

# 98 VAL PHI:  (97 GLU C)-(98 VAL N)-(98 VAL CA)-(98 VAL C) -95.0 -35.0
 &rst     iat =  1654,  1656,  1658,  1670,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 98 VAL PSI:  (98 VAL N)-(98 VAL CA)-(98 VAL C)-(99 TYR N) -73.8 -13.8
 &rst     iat =  1656,  1658,  1670,  1672,
   r1 = -74.8, r2 = -73.8, r3 = -13.8, r4 = -12.8,
 &end

# 99 TYR PHI:  (98 VAL C)-(99 TYR N)-(99 TYR CA)-(99 TYR C) -90.0 -30.0
 &rst     iat =  1670,  1672,  1674,  1691,
   r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
 &end

# 99 TYR PSI:  (99 TYR N)-(99 TYR CA)-(99 TYR C)-(100 GLU N) -74.8 -14.8
 &rst     iat =  1672,  1674,  1691,  1693,
   r1 = -75.8, r2 = -74.8, r3 = -14.8, r4 = -13.8,
 &end

# 100 GLU PHI:  (99 TYR C)-(100 GLU N)-(100 GLU CA)-(100 GLU C) -99.3 -39.3
 &rst     iat =  1691,  1693,  1695,  1706,
   r1 = -100.3, r2 = -99.3, r3 = -39.3, r4 = -38.3,
 &end

# 100 GLU PSI:  (100 GLU N)-(100 GLU CA)-(100 GLU C)-(101 SER N) -62.9  -2.9
 &rst     iat =  1693,  1695,  1706,  1708,
   r1 = -63.9, r2 = -62.9, r3 =  -2.9, r4 =  -1.9,
 &end

# 101 SER PHI:  (100 GLU C)-(101 SER N)-(101 SER CA)-(101 SER C) -114.7 -54.7
 &rst     iat =  1706,  1708,  1710,  1717,
   r1 = -115.7, r2 = -114.7, r3 = -54.7, r4 = -53.7,
 &end

# 101 SER PSI:  (101 SER N)-(101 SER CA)-(101 SER C)-(102 GLU N) -56.2   3.8
 &rst     iat =  1708,  1710,  1717,  1719,
   r1 = -57.2, r2 = -56.2, r3 =   3.8, r4 =   4.8,
 &end

# 102 GLU PHI:  (101 SER C)-(102 GLU N)-(102 GLU CA)-(102 GLU C) -126.1 -66.1
 &rst     iat =  1717,  1719,  1721,  1732,
   r1 = -127.1, r2 = -126.1, r3 = -66.1, r4 = -65.1,
 &end

# 102 GLU PSI:  (102 GLU N)-(102 GLU CA)-(102 GLU C)-(103 LYS N) -70.0  30.0
 &rst     iat =  1719,  1721,  1732,  1734,
   r1 = -71.0, r2 = -70.0, r3 =  30.0, r4 =  31.0,
 &end

# 105 GLU PHI:  (104 ASP C)-(105 GLU N)-(105 GLU CA)-(105 GLU C) -120.0   0.0
 &rst     iat =  1766,  1768,  1770,  1781,
   r1 = -121.0, r2 = -120.0, r3 =   0.0, r4 =   1.0,
 &end

# 105 GLU PSI:  (105 GLU N)-(105 GLU CA)-(105 GLU C)-(106 ASP N) -120.0  -6.7
 &rst     iat =  1768,  1770,  1781,  1783,
   r1 = -121.0, r2 = -120.0, r3 =  -6.7, r4 =  -5.7,
 &end

# 106 ASP PHI:  (105 GLU C)-(106 ASP N)-(106 ASP CA)-(106 ASP C) -130.0 -54.9
 &rst     iat =  1781,  1783,  1785,  1793,
   r1 = -131.0, r2 = -130.0, r3 = -54.9, r4 = -53.9,
 &end

# 106 ASP PSI:  (106 ASP N)-(106 ASP CA)-(106 ASP C)-(107 GLY N) -33.7  20.0
 &rst     iat =  1783,  1785,  1793,  1795,
   r1 = -34.7, r2 = -33.7, r3 =  20.0, r4 =  21.0,
 &end

# 110 TYR PHI:  (109 LEU C)-(110 TYR N)-(110 TYR CA)-(110 TYR C) -170.0 -64.0
 &rst     iat =  1839,  1841,  1843,  1860,
   r1 = -171.0, r2 = -170.0, r3 = -64.0, r4 = -63.0,
 &end

# 110 TYR PSI:  (110 TYR N)-(110 TYR CA)-(110 TYR C)-(111 MET N) 101.2 161.2
 &rst     iat =  1841,  1843,  1860,  1862,
   r1 = 100.2, r2 = 101.2, r3 = 161.2, r4 = 162.2,
 &end

# 111 MET PHI:  (110 TYR C)-(111 MET N)-(111 MET CA)-(111 MET C) -157.3 -97.3
 &rst     iat =  1860,  1862,  1864,  1877,
   r1 = -158.3, r2 = -157.3, r3 = -97.3, r4 = -96.3,
 &end

# 111 MET PSI:  (111 MET N)-(111 MET CA)-(111 MET C)-(112 VAL N) 114.1 174.1
 &rst     iat =  1862,  1864,  1877,  1879,
   r1 = 113.1, r2 = 114.1, r3 = 174.1, r4 = 175.1,
 &end

# 112 VAL PHI:  (111 MET C)-(112 VAL N)-(112 VAL CA)-(112 VAL C) -149.6 -89.6
 &rst     iat =  1877,  1879,  1881,  1893,
   r1 = -150.6, r2 = -149.6, r3 = -89.6, r4 = -88.6,
 &end

# 112 VAL PSI:  (112 VAL N)-(112 VAL CA)-(112 VAL C)-(113 TYR N) 111.1 171.1
 &rst     iat =  1879,  1881,  1893,  1895,
   r1 = 110.1, r2 = 111.1, r3 = 171.1, r4 = 172.1,
 &end

# 113 TYR PHI:  (112 VAL C)-(113 TYR N)-(113 TYR CA)-(113 TYR C) -170.0 -45.0
 &rst     iat =  1893,  1895,  1897,  1914,
   r1 = -171.0, r2 = -170.0, r3 = -45.0, r4 = -44.0,
 &end

# 113 TYR PSI:  (113 TYR N)-(113 TYR CA)-(113 TYR C)-(114 ALA N)  90.0 180.0
 &rst     iat =  1895,  1897,  1914,  1916,
   r1 =  89.0, r2 =  90.0, r3 = 180.0, r4 = 181.0,
 &end

# 114 ALA PHI:  (113 TYR C)-(114 ALA N)-(114 ALA CA)-(114 ALA C) -177.3 -117.3
 &rst     iat =  1914,  1916,  1918,  1924,
   r1 = -178.3, r2 = -177.3, r3 = -117.3, r4 = -116.3,
 &end

# 114 ALA PSI:  (114 ALA N)-(114 ALA CA)-(114 ALA C)-(115 SER N) 125.0 185.0
 &rst     iat =  1916,  1918,  1924,  1926,
   r1 = 124.0, r2 = 125.0, r3 = 185.0, r4 = 186.0,
 &end

# 116 GLN PHI:  (115 SER C)-(116 GLN N)-(116 GLN CA)-(116 GLN C) -160.6 -100.6
 &rst     iat =  1935,  1937,  1939,  1952,
   r1 = -161.6, r2 = -160.6, r3 = -100.6, r4 = -99.6,
 &end

# 116 GLN PSI:  (116 GLN N)-(116 GLN CA)-(116 GLN C)-(117 GLU N) 118.9 178.9
 &rst     iat =  1937,  1939,  1952,  1954,
   r1 = 117.9, r2 = 118.9, r3 = 178.9, r4 = 179.9,
 &end

# 118 THR PHI:  (117 GLU C)-(118 THR N)-(118 THR CA)-(118 THR C) -157.4 -60.0
 &rst     iat =  1967,  1969,  1971,  1981,
   r1 = -158.4, r2 = -157.4, r3 = -60.0, r4 = -59.0,
 &end

# 118 THR PSI:  (118 THR N)-(118 THR CA)-(118 THR C)-(119 PHE N) 123.3 183.3
 &rst     iat =  1969,  1971,  1981,  1983,
   r1 = 122.3, r2 = 123.3, r3 = 183.3, r4 = 184.3,
 &end

# 5 LYS PSI:  (5 LYS N)-(5 LYS CA)-(5 LYS C)-(6 THR N)  60.0 180.0
 &rst     iat =    60,    62,    80,    82,
   r1 =  59.0, r2 =  60.0, r3 = 180.0, r4 = 181.0,
 &end

# 29 THR PHI:  (28 PRO C)-(29 THR N)-(29 THR CA)-(29 THR C) -180.0   0.0
 &rst     iat =   500,   502,   504,   514,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 39 LYS PHI:  (38 TYR C)-(39 LYS N)-(39 LYS CA)-(39 LYS C) -180.0   0.0
 &rst     iat =   683,   685,   687,   705,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 72 GLN PSI:  (72 GLN N)-(72 GLN CA)-(72 GLN C)-(73 LEU N)  20.0 140.0
 &rst     iat =  1267,  1269,  1282,  1284,
   r1 =  19.0, r2 =  20.0, r3 = 140.0, r4 = 141.0,
 &end

# 73 LEU PHI:  (72 GLN C)-(73 LEU N)-(73 LEU CA)-(73 LEU C) -180.0   0.0
 &rst     iat =  1282,  1284,  1286,  1301,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 84 ASN PHI:  (83 VAL C)-(84 ASN N)-(84 ASN CA)-(84 ASN C)  30.0  80.0
 &rst     iat =  1460,  1462,  1464,  1474,
   r1 =  29.0, r2 =  30.0, r3 =  80.0, r4 =  81.0,
 &end

# 90 SER PHI:  (89 VAL C)-(90 SER N)-(90 SER CA)-(90 SER C) -180.0   0.0
 &rst     iat =  1543,  1545,  1547,  1554,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 90 SER PSI:  (90 SER N)-(90 SER CA)-(90 SER C)-(91 VAL N) -40.0  20.0
 &rst     iat =  1545,  1547,  1554,  1556,
   r1 = -41.0, r2 = -40.0, r3 =  20.0, r4 =  21.0,
 &end

# 92 SER PHI:  (91 VAL C)-(92 SER N)-(92 SER CA)-(92 SER C) -180.0   0.0
 &rst     iat =  1570,  1572,  1574,  1581,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 92 SER PSI:  (92 SER N)-(92 SER CA)-(92 SER C)-(93 THR N) -40.0  70.0
 &rst     iat =  1572,  1574,  1581,  1583,
   r1 = -41.0, r2 = -40.0, r3 =  70.0, r4 =  71.0,
 &end

# 93 THR PHI:  (92 SER C)-(93 THR N)-(93 THR CA)-(93 THR C) -180.0   0.0
 &rst     iat =  1581,  1583,  1585,  1595,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 103 LYS PHI:  (102 GLU C)-(103 LYS N)-(103 LYS CA)-(103 LYS C) -180.0   0.0
 &rst     iat =  1732,  1734,  1736,  1754,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 103 LYS PSI:  (103 LYS N)-(103 LYS CA)-(103 LYS C)-(104 ASP N)  90.0 150.0
 &rst     iat =  1734,  1736,  1754,  1756,
   r1 =  89.0, r2 =  90.0, r3 = 150.0, r4 = 151.0,
 &end

# 117 GLU PSI:  (117 GLU N)-(117 GLU CA)-(117 GLU C)-(118 THR N) -80.0  20.0
 &rst     iat =  1954,  1956,  1967,  1969,
   r1 = -81.0, r2 = -80.0, r3 =  20.0, r4 =  21.0,
 &end

# 119 PHE PHI:  (118 THR C)-(119 PHE N)-(119 PHE CA)-(119 PHE C) -180.0   0.0
 &rst     iat =  1981,  1983,  1985,  2001,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 =150.0, rk3=150.0,  &end
#
#  chirality for residue 1 atoms:  CB SD HG2 HG3
 &rst iat=7,13,11,12, &end
#
#  chirality for residue 1 atoms:  N C HA CB
 &rst iat=1,18,6,7, &end
#
#  chirality for residue 2 atoms:  CA CG HB2 HB3
 &rst iat=30,24,28,29, &end
#
#  chirality for residue 2 atoms:  CB CD HG2 HG3
 &rst iat=27,21,25,26, &end
#
#  chirality for residue 2 atoms:  CG N HD2 HD3
 &rst iat=24,20,22,23, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,32,31,27, &end
#
#  chirality for residue 3 atoms:  CA OG HB2 HB3
 &rst iat=36,41,39,40, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=34,43,37,38, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=47,52,50,51, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=49,55,53,54, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=45,58,48,49, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=62,67,65,66, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=64,70,68,69, &end
#
#  chirality for residue 5 atoms:  CD NZ HE2 HE3
 &rst iat=70,76,74,75, &end
#
#  chirality for residue 5 atoms:  CG CE HD2 HD3
 &rst iat=67,73,71,72, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=60,80,63,64, &end
#
#  chirality for residue 6 atoms:  CA CG2 OG1 HB
 &rst iat=84,88,92,87, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=82,94,85,86, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=98,103,101,102, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=96,114,99,100, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=118,123,121,122, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=120,126,124,125, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=126,132,130,131, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=123,129,127,128, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=116,136,119,120, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=140,145,143,144, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=142,148,146,147, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=138,153,141,142, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=157,162,160,161, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=159,165,163,164, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=162,168,166,167, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=155,177,158,159, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=181,186,184,185, &end
#
#  chirality for residue 11 atoms:  CB CD HG2 HG3
 &rst iat=183,189,187,188, &end
#
#  chirality for residue 11 atoms:  CG NE HD2 HD3
 &rst iat=186,192,190,191, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=179,201,182,183, &end
#
#  chirality for residue 12 atoms:  CA CG2 OG1 HB
 &rst iat=205,209,213,208, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=203,215,206,207, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=219,224,222,223, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=217,235,220,221, &end
#
#  chirality for residue 14 atoms:  CA CG HB2 HB3
 &rst iat=239,244,242,243, &end
#
#  chirality for residue 14 atoms:  CB CD HG2 HG3
 &rst iat=241,247,245,246, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=237,250,240,241, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=254,259,257,258, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=256,262,260,261, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=252,267,255,256, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=271,276,274,275, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=273,279,277,278, &end
#
#  chirality for residue 16 atoms:  CG NE HD2 HD3
 &rst iat=276,282,280,281, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=269,291,272,273, &end
#
#  chirality for residue 17 atoms:  CA CG1 CG2 HB
 &rst iat=295,299,303,298, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=293,307,296,297, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=311,316,314,315, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=313,319,317,318, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=309,322,312,313, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=326,331,329,330, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=324,334,327,328, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=338,342,346,341, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=336,350,339,340, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=354,359,357,358, &end
#
#  chirality for residue 21 atoms:  CB CD HG2 HG3
 &rst iat=356,362,360,361, &end
#
#  chirality for residue 21 atoms:  CG NE HD2 HD3
 &rst iat=359,365,363,364, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=352,374,355,356, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=380,385,389,384, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=376,393,379,380, &end
#
#  chirality for residue 23 atoms:  CA CG2 CG1 HB
 &rst iat=397,401,405,400, &end
#
#  chirality for residue 23 atoms:  CB CD1 HG12 HG13
 &rst iat=399,408,406,407, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=395,412,398,399, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=416,421,419,420, &end
#
#  chirality for residue 24 atoms:  CB CD HG2 HG3
 &rst iat=418,424,422,423, &end
#
#  chirality for residue 24 atoms:  CG NE HD2 HD3
 &rst iat=421,427,425,426, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=414,436,417,418, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=440,445,443,444, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=442,448,446,447, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=438,451,441,442, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=455,460,458,459, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=457,463,461,462, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=453,468,456,457, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=472,477,475,476, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=470,486,473,474, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=498,492,496,497, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=495,489,493,494, &end
#
#  chirality for residue 28 atoms:  CG N HD2 HD3
 &rst iat=492,488,490,491, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=488,500,499,495, &end
#
#  chirality for residue 29 atoms:  CA CG2 OG1 HB
 &rst iat=504,508,512,507, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=502,514,505,506, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=518,523,521,522, &end
#
#  chirality for residue 30 atoms:  CB CD HG2 HG3
 &rst iat=520,526,524,525, &end
#
#  chirality for residue 30 atoms:  CD NZ HE2 HE3
 &rst iat=526,532,530,531, &end
#
#  chirality for residue 30 atoms:  CG CE HD2 HD3
 &rst iat=523,529,527,528, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=516,536,519,520, &end
#
#  chirality for residue 31 atoms:  CA CG2 CG1 HB
 &rst iat=540,544,548,543, &end
#
#  chirality for residue 31 atoms:  CB CD1 HG12 HG13
 &rst iat=542,551,549,550, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=538,555,541,542, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=567,561,565,566, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=564,558,562,563, &end
#
#  chirality for residue 32 atoms:  CG N HD2 HD3
 &rst iat=561,557,559,560, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=557,569,568,564, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=573,577,581,576, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=571,585,574,575, &end
#
#  chirality for residue 34 atoms:  CA CG2 CG1 HB
 &rst iat=589,593,597,592, &end
#
#  chirality for residue 34 atoms:  CB CD1 HG12 HG13
 &rst iat=591,600,598,599, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=587,604,590,591, &end
#
#  chirality for residue 35 atoms:  CA CG2 CG1 HB
 &rst iat=608,612,616,611, &end
#
#  chirality for residue 35 atoms:  CB CD1 HG12 HG13
 &rst iat=610,619,617,618, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=606,623,609,610, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=627,632,630,631, &end
#
#  chirality for residue 36 atoms:  CB CD HG2 HG3
 &rst iat=629,635,633,634, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=625,638,628,629, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=644,650,648,649, &end
#
#  chirality for residue 37 atoms:  CG NE HD2 HD3
 &rst iat=647,653,651,652, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=640,662,643,644, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=666,671,669,670, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=664,683,667,668, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=687,692,690,691, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=689,695,693,694, &end
#
#  chirality for residue 39 atoms:  CD NZ HE2 HE3
 &rst iat=695,701,699,700, &end
#
#  chirality for residue 39 atoms:  CG CE HD2 HD3
 &rst iat=692,698,696,697, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=685,705,688,689, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=707,712,710,711, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=716,721,719,720, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=718,724,722,723, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=714,727,717,718, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=731,736,734,735, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=733,739,737,738, &end
#
#  chirality for residue 42 atoms:  CD NZ HE2 HE3
 &rst iat=739,745,743,744, &end
#
#  chirality for residue 42 atoms:  CG CE HD2 HD3
 &rst iat=736,742,740,741, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=729,749,732,733, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=753,758,756,757, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=755,761,759,760, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=751,766,754,755, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=770,775,773,774, &end
#
#  chirality for residue 44 atoms:  CB CD1 CD2 HG
 &rst iat=772,777,781,776, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=768,785,771,772, &end
#
#  chirality for residue 45 atoms:  CA CG HB2 HB3
 &rst iat=797,791,795,796, &end
#
#  chirality for residue 45 atoms:  CB CD HG2 HG3
 &rst iat=794,788,792,793, &end
#
#  chirality for residue 45 atoms:  CG N HD2 HD3
 &rst iat=791,787,789,790, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=787,799,798,794, &end
#
#  chirality for residue 46 atoms:  CA CG1 CG2 HB
 &rst iat=803,807,811,806, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=801,815,804,805, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=819,824,822,823, &end
#
#  chirality for residue 47 atoms:  CB CD1 CD2 HG
 &rst iat=821,826,830,825, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=817,834,820,821, &end
#
#  chirality for residue 48 atoms:  CA CG HB2 HB3
 &rst iat=838,843,841,842, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=836,846,839,840, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=850,855,853,854, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=852,858,856,857, &end
#
#  chirality for residue 49 atoms:  CD NZ HE2 HE3
 &rst iat=858,864,862,863, &end
#
#  chirality for residue 49 atoms:  CG CE HD2 HD3
 &rst iat=855,861,859,860, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=848,868,851,852, &end
#
#  chirality for residue 50 atoms:  CA CG2 OG1 HB
 &rst iat=872,876,880,875, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=870,882,873,874, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=886,891,889,890, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=888,894,892,893, &end
#
#  chirality for residue 51 atoms:  CD NZ HE2 HE3
 &rst iat=894,900,898,899, &end
#
#  chirality for residue 51 atoms:  CG CE HD2 HD3
 &rst iat=891,897,895,896, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=884,904,887,888, &end
#
#  chirality for residue 52 atoms:  CA CG HB2 HB3
 &rst iat=908,913,911,912, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=906,924,909,910, &end
#
#  chirality for residue 53 atoms:  CA CG HB2 HB3
 &rst iat=928,933,931,932, &end
#
#  chirality for residue 53 atoms:  CB CD1 CD2 HG
 &rst iat=930,935,939,934, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=926,943,929,930, &end
#
#  chirality for residue 54 atoms:  CA CG1 CG2 HB
 &rst iat=947,951,955,950, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=945,959,948,949, &end
#
#  chirality for residue 55 atoms:  CA CG HB2 HB3
 &rst iat=971,965,969,970, &end
#
#  chirality for residue 55 atoms:  CB CD HG2 HG3
 &rst iat=968,962,966,967, &end
#
#  chirality for residue 55 atoms:  CG N HD2 HD3
 &rst iat=965,961,963,964, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=961,973,972,968, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=977,982,980,981, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=975,985,978,979, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=989,994,992,993, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=987,1003,990,991, &end
#
#  chirality for residue 58 atoms:  CA CG1 CG2 HB
 &rst iat=1007,1011,1015,1010, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=1005,1019,1008,1009, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=1023,1028,1026,1027, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=1021,1033,1024,1025, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=1037,1042,1040,1041, &end
#
#  chirality for residue 60 atoms:  CB SD HG2 HG3
 &rst iat=1039,1045,1043,1044, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=1035,1050,1038,1039, &end
#
#  chirality for residue 61 atoms:  CA OG HB2 HB3
 &rst iat=1054,1059,1057,1058, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=1052,1061,1055,1056, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=1065,1070,1068,1069, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=1067,1073,1071,1072, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=1063,1076,1066,1067, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1080,1085,1083,1084, &end
#
#  chirality for residue 63 atoms:  CB CD1 CD2 HG
 &rst iat=1082,1087,1091,1086, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=1078,1095,1081,1082, &end
#
#  chirality for residue 64 atoms:  CA CG2 CG1 HB
 &rst iat=1099,1103,1107,1102, &end
#
#  chirality for residue 64 atoms:  CB CD1 HG12 HG13
 &rst iat=1101,1110,1108,1109, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=1097,1114,1100,1101, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1118,1123,1121,1122, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=1120,1126,1124,1125, &end
#
#  chirality for residue 65 atoms:  CD NZ HE2 HE3
 &rst iat=1126,1132,1130,1131, &end
#
#  chirality for residue 65 atoms:  CG CE HD2 HD3
 &rst iat=1123,1129,1127,1128, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1116,1136,1119,1120, &end
#
#  chirality for residue 66 atoms:  CA CG2 CG1 HB
 &rst iat=1140,1144,1148,1143, &end
#
#  chirality for residue 66 atoms:  CB CD1 HG12 HG13
 &rst iat=1142,1151,1149,1150, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1138,1155,1141,1142, &end
#
#  chirality for residue 67 atoms:  CA CG2 CG1 HB
 &rst iat=1159,1163,1167,1162, &end
#
#  chirality for residue 67 atoms:  CB CD1 HG12 HG13
 &rst iat=1161,1170,1168,1169, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1157,1174,1160,1161, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1178,1183,1181,1182, &end
#
#  chirality for residue 68 atoms:  CB CD HG2 HG3
 &rst iat=1180,1186,1184,1185, &end
#
#  chirality for residue 68 atoms:  CG NE HD2 HD3
 &rst iat=1183,1189,1187,1188, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1176,1198,1179,1180, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1202,1207,1205,1206, &end
#
#  chirality for residue 69 atoms:  CB CD HG2 HG3
 &rst iat=1204,1210,1208,1209, &end
#
#  chirality for residue 69 atoms:  CG NE HD2 HD3
 &rst iat=1207,1213,1211,1212, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1200,1222,1203,1204, &end
#
#  chirality for residue 70 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 70 atoms:  CB CD HG2 HG3
 &rst iat=1228,1234,1232,1233, &end
#
#  chirality for residue 70 atoms:  CG NE HD2 HD3
 &rst iat=1231,1237,1235,1236, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1224,1246,1227,1228, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1250,1255,1253,1254, &end
#
#  chirality for residue 71 atoms:  CB CD1 CD2 HG
 &rst iat=1252,1257,1261,1256, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1248,1265,1251,1252, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1269,1274,1272,1273, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1271,1277,1275,1276, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1267,1282,1270,1271, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1286,1291,1289,1290, &end
#
#  chirality for residue 73 atoms:  CB CD1 CD2 HG
 &rst iat=1288,1293,1297,1292, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1284,1301,1287,1288, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1305,1310,1308,1309, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1303,1315,1306,1307, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1317,1325,1320,1321, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1329,1334,1332,1333, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1327,1339,1330,1331, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1343,1348,1346,1347, &end
#
#  chirality for residue 77 atoms:  CB CD HG2 HG3
 &rst iat=1345,1351,1349,1350, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1341,1356,1344,1345, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1358,1366,1361,1362, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1370,1375,1373,1374, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1368,1386,1371,1372, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1390,1395,1393,1394, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1388,1406,1391,1392, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1410,1415,1413,1414, &end
#
#  chirality for residue 81 atoms:  CB CD1 CD2 HG
 &rst iat=1412,1417,1421,1416, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1408,1425,1411,1412, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1429,1434,1432,1433, &end
#
#  chirality for residue 82 atoms:  CB CD1 CD2 HG
 &rst iat=1431,1436,1440,1435, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1427,1444,1430,1431, &end
#
#  chirality for residue 83 atoms:  CA CG1 CG2 HB
 &rst iat=1448,1452,1456,1451, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1446,1460,1449,1450, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1464,1469,1467,1468, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1462,1474,1465,1466, &end
#
#  chirality for residue 85 atoms:  N C HA2 HA3
 &rst iat=1476,1481,1479,1480, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1485,1490,1488,1489, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1483,1499,1486,1487, &end
#
#  chirality for residue 87 atoms:  CA OG HB2 HB3
 &rst iat=1503,1508,1506,1507, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1501,1510,1504,1505, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1514,1519,1517,1518, &end
#
#  chirality for residue 88 atoms:  CB SD HG2 HG3
 &rst iat=1516,1522,1520,1521, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1512,1527,1515,1516, &end
#
#  chirality for residue 89 atoms:  CA CG1 CG2 HB
 &rst iat=1531,1535,1539,1534, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1529,1543,1532,1533, &end
#
#  chirality for residue 90 atoms:  CA OG HB2 HB3
 &rst iat=1547,1552,1550,1551, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1545,1554,1548,1549, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1558,1562,1566,1561, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1556,1570,1559,1560, &end
#
#  chirality for residue 92 atoms:  CA OG HB2 HB3
 &rst iat=1574,1579,1577,1578, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1572,1581,1575,1576, &end
#
#  chirality for residue 93 atoms:  CA CG2 OG1 HB
 &rst iat=1585,1589,1593,1588, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1583,1595,1586,1587, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1607,1601,1605,1606, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1604,1598,1602,1603, &end
#
#  chirality for residue 94 atoms:  CG N HD2 HD3
 &rst iat=1601,1597,1599,1600, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1597,1609,1608,1604, &end
#
#  chirality for residue 95 atoms:  CA CG2 CG1 HB
 &rst iat=1613,1617,1621,1616, &end
#
#  chirality for residue 95 atoms:  CB CD1 HG12 HG13
 &rst iat=1615,1624,1622,1623, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1611,1628,1614,1615, &end
#
#  chirality for residue 96 atoms:  CA OG HB2 HB3
 &rst iat=1632,1637,1635,1636, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1630,1639,1633,1634, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1643,1648,1646,1647, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1645,1651,1649,1650, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1641,1654,1644,1645, &end
#
#  chirality for residue 98 atoms:  CA CG1 CG2 HB
 &rst iat=1658,1662,1666,1661, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1656,1670,1659,1660, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1674,1679,1677,1678, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1672,1691,1675,1676, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1695,1700,1698,1699, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1697,1703,1701,1702, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1693,1706,1696,1697, &end
#
#  chirality for residue 101 atoms:  CA OG HB2 HB3
 &rst iat=1710,1715,1713,1714, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1708,1717,1711,1712, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1721,1726,1724,1725, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1723,1729,1727,1728, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1719,1732,1722,1723, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1736,1741,1739,1740, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1738,1744,1742,1743, &end
#
#  chirality for residue 103 atoms:  CD NZ HE2 HE3
 &rst iat=1744,1750,1748,1749, &end
#
#  chirality for residue 103 atoms:  CG CE HD2 HD3
 &rst iat=1741,1747,1745,1746, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1734,1754,1737,1738, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1758,1763,1761,1762, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1756,1766,1759,1760, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1770,1775,1773,1774, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1772,1778,1776,1777, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1768,1781,1771,1772, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1785,1790,1788,1789, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1783,1793,1786,1787, &end
#
#  chirality for residue 107 atoms:  N C HA2 HA3
 &rst iat=1795,1800,1798,1799, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1804,1809,1807,1808, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1802,1820,1805,1806, &end
#
#  chirality for residue 109 atoms:  CA CG HB2 HB3
 &rst iat=1824,1829,1827,1828, &end
#
#  chirality for residue 109 atoms:  CB CD1 CD2 HG
 &rst iat=1826,1831,1835,1830, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1822,1839,1825,1826, &end
#
#  chirality for residue 110 atoms:  CA CG HB2 HB3
 &rst iat=1843,1848,1846,1847, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1841,1860,1844,1845, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1864,1869,1867,1868, &end
#
#  chirality for residue 111 atoms:  CB SD HG2 HG3
 &rst iat=1866,1872,1870,1871, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1862,1877,1865,1866, &end
#
#  chirality for residue 112 atoms:  CA CG1 CG2 HB
 &rst iat=1881,1885,1889,1884, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1879,1893,1882,1883, &end
#
#  chirality for residue 113 atoms:  CA CG HB2 HB3
 &rst iat=1897,1902,1900,1901, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1895,1914,1898,1899, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1916,1924,1919,1920, &end
#
#  chirality for residue 115 atoms:  CA OG HB2 HB3
 &rst iat=1928,1933,1931,1932, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1926,1935,1929,1930, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1939,1944,1942,1943, &end
#
#  chirality for residue 116 atoms:  CB CD HG2 HG3
 &rst iat=1941,1947,1945,1946, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1937,1952,1940,1941, &end
#
#  chirality for residue 117 atoms:  CA CG HB2 HB3
 &rst iat=1956,1961,1959,1960, &end
#
#  chirality for residue 117 atoms:  CB CD HG2 HG3
 &rst iat=1958,1964,1962,1963, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1954,1967,1957,1958, &end
#
#  chirality for residue 118 atoms:  CA CG2 OG1 HB
 &rst iat=1971,1975,1979,1974, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1969,1981,1972,1973, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1985,1990,1988,1989, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1983,2001,1986,1987, &end
#
#  chirality for residue 120 atoms:  N C HA2 HA3
 &rst iat=2003,2008,2006,2007, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=2015,2020,2018,2019, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=2011,2023,2016,2017, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=2027,2032,2030,2031, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=2025,2044,2028,2029, &end
#
#  chirality for residue 123 atoms:  CA CG HB2 HB3
 &rst iat=2048,2053,2051,2052, &end
#
#  chirality for residue 123 atoms:  CB CD HG2 HG3
 &rst iat=2050,2056,2054,2055, &end
#
#  chirality for residue 123 atoms:  N C HA CB
 &rst iat=2046,2059,2049,2050, &end
#
#  chirality for residue 124 atoms:  CA OG HB2 HB3
 &rst iat=2063,2068,2066,2067, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=2061,2070,2064,2065, &end
#
#  chirality for residue 125 atoms:  CA CG HB2 HB3
 &rst iat=2074,2079,2077,2078, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=2072,2082,2075,2076, &end
#
#  chirality for residue 126 atoms:  CA CG HB2 HB3
 &rst iat=2086,2091,2089,2090, &end
#
#  chirality for residue 126 atoms:  N C HA CB
 &rst iat=2084,2094,2087,2088, &end
#
#  chirality for residue 127 atoms:  CA CG HB2 HB3
 &rst iat=2098,2103,2101,2102, &end
#
#  chirality for residue 127 atoms:  N C HA CB
 &rst iat=2096,2106,2099,2100, &end
#
#  chirality for residue 128 atoms:  CA OG HB2 HB3
 &rst iat=2110,2115,2113,2114, &end
#
#  chirality for residue 128 atoms:  N C HA CB
 &rst iat=2108,2117,2111,2112, &end
#
#  chirality for residue 129 atoms:  CA CG HB2 HB3
 &rst iat=2121,2126,2124,2125, &end
#
#  chirality for residue 129 atoms:  N C HA CB
 &rst iat=2119,2138,2122,2123, &end
#
#  chirality for residue 130 atoms:  CA CG HB2 HB3
 &rst iat=2142,2147,2145,2146, &end
#
#  chirality for residue 130 atoms:  CB CD HG2 HG3
 &rst iat=2144,2150,2148,2149, &end
#
#  chirality for residue 130 atoms:  N C HA CB
 &rst iat=2140,2153,2143,2144, &end
#
#  chirality for residue 131 atoms:  CA CG1 CG2 HB
 &rst iat=2157,2161,2165,2160, &end
#
#  chirality for residue 131 atoms:  N C HA CB
 &rst iat=2155,2169,2158,2159, &end
#
#  chirality for residue 132 atoms:  CA CG HB2 HB3
 &rst iat=2173,2178,2176,2177, &end
#
#  chirality for residue 132 atoms:  CB CD1 CD2 HG
 &rst iat=2175,2180,2184,2179, &end
#
#  chirality for residue 132 atoms:  N C HA CB
 &rst iat=2171,2188,2174,2175, &end
#
#  chirality for residue 133 atoms:  CA CG HB2 HB3
 &rst iat=2192,2197,2195,2196, &end
#
#  chirality for residue 133 atoms:  N C HA CB
 &rst iat=2190,2200,2193,2194, &end
#
#  chirality for residue 134 atoms:  CA CG HB2 HB3
 &rst iat=2204,2209,2207,2208, &end
#
#  chirality for residue 134 atoms:  CB CD1 CD2 HG
 &rst iat=2206,2211,2215,2210, &end
#
#  chirality for residue 134 atoms:  N C HA CB
 &rst iat=2202,2219,2205,2206, &end
#
#  chirality for residue 135 atoms:  CA CG2 OG1 HB
 &rst iat=2223,2227,2231,2226, &end
#
#  chirality for residue 135 atoms:  N C HA CB
 &rst iat=2221,2233,2224,2225, &end
#
#  chirality for residue 136 atoms:  CA CG HB2 HB3
 &rst iat=2237,2242,2240,2241, &end
#
#  chirality for residue 136 atoms:  CB CD HG2 HG3
 &rst iat=2239,2245,2243,2244, &end
#
#  chirality for residue 136 atoms:  N C HA CB
 &rst iat=2235,2248,2238,2239, &end
#
#  chirality for residue 137 atoms:  CA CG HB2 HB3
 &rst iat=2252,2257,2255,2256, &end
#
#  chirality for residue 137 atoms:  N C HA CB
 &rst iat=2250,2269,2253,2254, &end
#
#  trans-omega constraint for residue 2
 &rst iat=30,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 =150.0, rk3=150.0,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=36,34,32,30, &end
#
#  trans-omega constraint for residue 4
 &rst iat=47,45,43,36, &end
#
#  trans-omega constraint for residue 5
 &rst iat=62,60,58,47, &end
#
#  trans-omega constraint for residue 6
 &rst iat=84,82,80,62, &end
#
#  trans-omega constraint for residue 7
 &rst iat=98,96,94,84, &end
#
#  trans-omega constraint for residue 8
 &rst iat=118,116,114,98, &end
#
#  trans-omega constraint for residue 9
 &rst iat=140,138,136,118, &end
#
#  trans-omega constraint for residue 10
 &rst iat=157,155,153,140, &end
#
#  trans-omega constraint for residue 11
 &rst iat=181,179,177,157, &end
#
#  trans-omega constraint for residue 12
 &rst iat=205,203,201,181, &end
#
#  trans-omega constraint for residue 13
 &rst iat=219,217,215,205, &end
#
#  trans-omega constraint for residue 14
 &rst iat=239,237,235,219, &end
#
#  trans-omega constraint for residue 15
 &rst iat=254,252,250,239, &end
#
#  trans-omega constraint for residue 16
 &rst iat=271,269,267,254, &end
#
#  trans-omega constraint for residue 17
 &rst iat=295,293,291,271, &end
#
#  trans-omega constraint for residue 18
 &rst iat=311,309,307,295, &end
#
#  trans-omega constraint for residue 19
 &rst iat=326,324,322,311, &end
#
#  trans-omega constraint for residue 20
 &rst iat=338,336,334,326, &end
#
#  trans-omega constraint for residue 21
 &rst iat=354,352,350,338, &end
#
#  trans-omega constraint for residue 22
 &rst iat=378,376,374,354, &end
#
#  trans-omega constraint for residue 23
 &rst iat=397,395,393,378, &end
#
#  trans-omega constraint for residue 24
 &rst iat=416,414,412,397, &end
#
#  trans-omega constraint for residue 25
 &rst iat=440,438,436,416, &end
#
#  trans-omega constraint for residue 26
 &rst iat=455,453,451,440, &end
#
#  trans-omega constraint for residue 27
 &rst iat=472,470,468,455, &end
#
#  trans-omega constraint for residue 28
 &rst iat=498,488,486,472, &end
#
#  trans-omega constraint for residue 29
 &rst iat=504,502,500,498, &end
#
#  trans-omega constraint for residue 30
 &rst iat=518,516,514,504, &end
#
#  trans-omega constraint for residue 31
 &rst iat=540,538,536,518, &end
#
#  trans-omega constraint for residue 32
 &rst iat=567,557,555,540, &end
#
#  trans-omega constraint for residue 33
 &rst iat=573,571,569,567, &end
#
#  trans-omega constraint for residue 34
 &rst iat=589,587,585,573, &end
#
#  trans-omega constraint for residue 35
 &rst iat=608,606,604,589, &end
#
#  trans-omega constraint for residue 36
 &rst iat=627,625,623,608, &end
#
#  trans-omega constraint for residue 37
 &rst iat=642,640,638,627, &end
#
#  trans-omega constraint for residue 38
 &rst iat=666,664,662,642, &end
#
#  trans-omega constraint for residue 39
 &rst iat=687,685,683,666, &end
#
#  trans-omega constraint for residue 40
 &rst iat=709,707,705,687, &end
#
#  trans-omega constraint for residue 41
 &rst iat=716,714,712,709, &end
#
#  trans-omega constraint for residue 42
 &rst iat=731,729,727,716, &end
#
#  trans-omega constraint for residue 43
 &rst iat=753,751,749,731, &end
#
#  trans-omega constraint for residue 44
 &rst iat=770,768,766,753, &end
#
#  trans-omega constraint for residue 45
 &rst iat=797,787,785,770, &end
#
#  trans-omega constraint for residue 46
 &rst iat=803,801,799,797, &end
#
#  trans-omega constraint for residue 47
 &rst iat=819,817,815,803, &end
#
#  trans-omega constraint for residue 48
 &rst iat=838,836,834,819, &end
#
#  trans-omega constraint for residue 49
 &rst iat=850,848,846,838, &end
#
#  trans-omega constraint for residue 50
 &rst iat=872,870,868,850, &end
#
#  trans-omega constraint for residue 51
 &rst iat=886,884,882,872, &end
#
#  trans-omega constraint for residue 52
 &rst iat=908,906,904,886, &end
#
#  trans-omega constraint for residue 53
 &rst iat=928,926,924,908, &end
#
#  trans-omega constraint for residue 54
 &rst iat=947,945,943,928, &end
#
#  trans-omega constraint for residue 55
 &rst iat=971,961,959,947, &end
#
#  trans-omega constraint for residue 56
 &rst iat=977,975,973,971, &end
#
#  trans-omega constraint for residue 57
 &rst iat=989,987,985,977, &end
#
#  trans-omega constraint for residue 58
 &rst iat=1007,1005,1003,989, &end
#
#  trans-omega constraint for residue 59
 &rst iat=1023,1021,1019,1007, &end
#
#  trans-omega constraint for residue 60
 &rst iat=1037,1035,1033,1023, &end
#
#  trans-omega constraint for residue 61
 &rst iat=1054,1052,1050,1037, &end
#
#  trans-omega constraint for residue 62
 &rst iat=1065,1063,1061,1054, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1080,1078,1076,1065, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1099,1097,1095,1080, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1118,1116,1114,1099, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1140,1138,1136,1118, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1159,1157,1155,1140, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1178,1176,1174,1159, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1202,1200,1198,1178, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1226,1224,1222,1202, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1250,1248,1246,1226, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1269,1267,1265,1250, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1286,1284,1282,1269, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1305,1303,1301,1286, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1319,1317,1315,1305, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1329,1327,1325,1319, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1343,1341,1339,1329, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1360,1358,1356,1343, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1370,1368,1366,1360, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1390,1388,1386,1370, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1410,1408,1406,1390, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1429,1427,1425,1410, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1448,1446,1444,1429, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1464,1462,1460,1448, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1478,1476,1474,1464, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1485,1483,1481,1478, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1503,1501,1499,1485, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1514,1512,1510,1503, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1531,1529,1527,1514, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1547,1545,1543,1531, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1558,1556,1554,1547, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1574,1572,1570,1558, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1585,1583,1581,1574, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1607,1597,1595,1585, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1613,1611,1609,1607, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1632,1630,1628,1613, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1643,1641,1639,1632, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1658,1656,1654,1643, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1674,1672,1670,1658, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1695,1693,1691,1674, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1710,1708,1706,1695, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1721,1719,1717,1710, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1736,1734,1732,1721, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1758,1756,1754,1736, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1770,1768,1766,1758, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1785,1783,1781,1770, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1797,1795,1793,1785, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1804,1802,1800,1797, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1824,1822,1820,1804, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1843,1841,1839,1824, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1864,1862,1860,1843, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1881,1879,1877,1864, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1897,1895,1893,1881, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1918,1916,1914,1897, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1928,1926,1924,1918, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1939,1937,1935,1928, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1956,1954,1952,1939, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1971,1969,1967,1956, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1985,1983,1981,1971, &end
#
#  trans-omega constraint for residue 120
 &rst iat=2005,2003,2001,1985, &end
#
#  trans-omega constraint for residue 121
 &rst iat=2015,2011,2008,2005, &end
#
#  trans-omega constraint for residue 122
 &rst iat=2027,2025,2023,2015, &end
#
#  trans-omega constraint for residue 123
 &rst iat=2048,2046,2044,2027, &end
#
#  trans-omega constraint for residue 124
 &rst iat=2063,2061,2059,2048, &end
#
#  trans-omega constraint for residue 125
 &rst iat=2074,2072,2070,2063, &end
#
#  trans-omega constraint for residue 126
 &rst iat=2086,2084,2082,2074, &end
#
#  trans-omega constraint for residue 127
 &rst iat=2098,2096,2094,2086, &end
#
#  trans-omega constraint for residue 128
 &rst iat=2110,2108,2106,2098, &end
#
#  trans-omega constraint for residue 129
 &rst iat=2121,2119,2117,2110, &end
#
#  trans-omega constraint for residue 130
 &rst iat=2142,2140,2138,2121, &end
#
#  trans-omega constraint for residue 131
 &rst iat=2157,2155,2153,2142, &end
#
#  trans-omega constraint for residue 132
 &rst iat=2173,2171,2169,2157, &end
#
#  trans-omega constraint for residue 133
 &rst iat=2192,2190,2188,2173, &end
#
#  trans-omega constraint for residue 134
 &rst iat=2204,2202,2200,2192, &end
#
#  trans-omega constraint for residue 135
 &rst iat=2223,2221,2219,2204, &end
#
#  trans-omega constraint for residue 136
 &rst iat=2237,2235,2233,2223, &end
#
#  trans-omega constraint for residue 137
 &rst iat=2252,2250,2248,2237, &end
#
# 13 PHE O 17 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 294, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=80.0, rk3=80.0, ir6=1, ialtd=1,
 &end
#
# 13 PHE O 17 VAL N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 293, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 GLU O 18 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 310, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 GLU O 18 GLU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 309, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 15 GLN O 19 ASP HN 1.8 2.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 325, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 GLN O 19 ASP N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 268, 324, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ARG O 20 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 337, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ARG O 20 VAL N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 336, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 17 VAL O 21 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 353, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 17 VAL O 21 ARG N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 352, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 18 GLU O 22 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 377, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 18 GLU O 22 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 376, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 19 ASP O 23 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 396, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 19 ASP O 23 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 395, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 20 VAL O 24 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 415, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 20 VAL O 24 ARG N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 351, 414, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 21 ARG O 25 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 439, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 21 ARG O 25 GLU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 375, 438, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 22 LEU O 26 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 454, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 LEU O 26 GLN N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 394, 453, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 60 MET O 64 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1098, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 60 MET O 64 ILE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1051,1097, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 61 SER O 65 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1117, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 61 SER O 65 LYS N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1116, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 62 GLU O 66 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1139, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 62 GLU O 66 ILE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1077,1138, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 63 LEU O 67 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1158, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 63 LEU O 67 ILE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1096,1157, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 64 ILE O 68 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1177, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 64 ILE O 68 ARG N 2.5 3.3  
 &rst
  ixpk= 0, nxpk= 0, iat=1115,1176, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 65 LYS O 69 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1201, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 65 LYS O 69 ARG N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1137,1200, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 66 ILE O 70 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1225, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 66 ILE O 70 ARG N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1156,1224, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 95 ILE O 99 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1673, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 95 ILE O 99 TYR N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1629,1672, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 96 SER O 100 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1694, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 96 SER O 100 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1640,1693, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 97 GLU O 101 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1709, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 97 GLU O 101 SER N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1655,1708, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 98 VAL O 102 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1720, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 98 VAL O 102 GLU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1671,1719, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 54 VAL O 31 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 539, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 54 VAL O 31 ILE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 960, 538, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 109 LEU O 34 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1840, 588, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 109 LEU O 34 ILE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1840, 587, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 111 MET O 36 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1878, 626, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 111 MET O 36 GLU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1878, 625, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 113 TYR O 38 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1915, 665, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 113 TYR O 38 TYR N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1915, 664, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 33 VAL O 52 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 907, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 33 VAL O 52 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 906, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 31 ILE O 54 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 946, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 31 ILE O 54 VAL N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 945, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 114 ALA O 80 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1389, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 114 ALA O 80 PHE N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1925,1388, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 112 VAL O 82 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1894,1428, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 112 VAL O 82 LEU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1894,1427, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 32 PRO O 109 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 570,1823, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 32 PRO O 109 LEU N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 570,1822, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 34 ILE O 111 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1863, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 34 ILE O 111 MET N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 605,1862, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 82 LEU O 112 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1880, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 82 LEU O 112 VAL N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1445,1879, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 36 GLU O 113 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1896, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 36 GLU O 113 TYR N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat= 639,1895, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 80 PHE O 114 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1917, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 80 PHE O 114 ALA N 2.5 3.3 
 &rst
  ixpk= 0, nxpk= 0, iat=1407,1916, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
#    0 AMB  9-2:0         0 AMB  9-1:0       6.00    (#      0:9   Double Ambig)
 &rst
  ixpk= 0, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1=2143,2158,
 igr2=2141,2073,
 &end
#
#  129 TYR  HA          130 GLU  HN          6.00    (#      1:9   Unique         2.17, 2.41 A)
 &rst
  ixpk= 1, nxpk= 9, iat=2122,2141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 GLU  HA          125 ASP  HN          6.00    (#      2:9   Unique         4.88, 5.36 A)
 &rst
  ixpk= 2, nxpk= 9, iat=2049,2073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  130 GLU  HB-         130 GLU  HG+         4.50    (#      3:9   Unique         2.21, 2.65 A)
 &rst
  ixpk= 3, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2145,2146,
 igr2=2148,2149,
 &end
#
#  130 GLU  HG+         130 GLU  HB-         6.00    (#      4:9   Unique         2.21, 2.65 A)
 &rst
  ixpk= 4, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2148,2149,
 igr2=2145,2146,
 &end
#
#  130 GLU  HB+         130 GLU  HG+         2.60    (#      5:9   Unique         2.21, 2.65 A)
 &rst
  ixpk= 5, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2145,2146,
 igr2=2148,2149,
 &end
#
#  130 GLU  HA          130 GLU  HG+         6.00    (#      6:9   Unique         2.19, 2.95 A)
 &rst
  ixpk= 6, nxpk= 9, iat=2143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2148,2149,
 &end
#
#  137 TYR  HA          137 TYR  HB+         4.50    (#      8:9   Unique         2.33, 2.43 A)
 &rst
  ixpk= 8, nxpk= 9, iat=2253,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2255,2256,
 &end
#
#  137 TYR  HA          137 TYR  HB-         4.50    (#      9:9   Unique         2.33, 2.43 A)
 &rst
  ixpk= 9, nxpk= 9, iat=2253,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2255,2256,
 &end
#
#  137 TYR  HD          137 TYR  HB+         4.50    (#     10:9   Unique         2.33, 3.06 A)
 &rst
  ixpk= 10, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2259,2268,
 igr2=2255,2256,
 &end
#
#  137 TYR  HD          137 TYR  HB-         4.50    (#     11:9   Unique         2.33, 3.06 A)
 &rst
  ixpk= 11, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2259,2268,
 igr2=2255,2256,
 &end
#
#  127 ASP  HA          127 ASP  HN          6.00    (#     12:9   Unique         2.29, 2.30 A)
 &rst
  ixpk= 12, nxpk= 9, iat=2099,2097, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:13      126 ASP  HN          6.00    (#     13:9   Single Ambig)
 &rst
  ixpk= 13, nxpk= 9, iat=  -1,2085, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2089,2090,2101,2102,
 &end
#
#  126 ASP  HN            0 AMB  9-1:18      8.00    (#     18:9   Single Ambig)
 &rst
  ixpk= 18, nxpk= 9, iat=2085,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=2089,2090,2101,2102,
 &end
#
#  129 TYR  HB-         125 ASP  HB-         6.00    (#     20:9   Unique         3.91, 5.15 A)
 &rst
  ixpk= 20, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2124,2125,
 igr2=2077,2078,
 &end
#
#  125 ASP  HA          125 ASP  HB-         4.50    (#     21:9   Unique         2.28, 2.45 A)
 &rst
  ixpk= 21, nxpk= 9, iat=2075,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2077,2078,
 &end
#
#  129 TYR  HB-         129 TYR  HD          4.50    (#     22:9   Unique         2.32, 3.07 A)
 &rst
  ixpk= 22, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2124,2125,
 igr2=2128,2137,
 &end
#
#  129 TYR  HA          129 TYR  HD          4.50    (#     23:9   Unique         3.49, 4.18 A)
 &rst
  ixpk= 23, nxpk= 9, iat=2122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2128,2137,
 &end
#
#  129 TYR  HE          129 TYR  HD          2.60    (#     24:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 24, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2130,2135,
 igr2=2128,2137,
 &end
#
#  129 TYR  HD          129 TYR  HE          2.60    (#     25:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 25, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2128,2137,
 igr2=2130,2135,
 &end
#
#  125 ASP  HB-         129 TYR  HB-         4.50    (#     26:9   Unique         3.91, 5.15 A)
 &rst
  ixpk= 26, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2077,2078,
 igr2=2124,2125,
 &end
#
#  129 TYR  HA          129 TYR  HB+         6.00    (#     28:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 28, nxpk= 9, iat=2122,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2124,2125,
 &end
#
#  129 TYR  HA          129 TYR  HB-         4.50    (#     29:9   Unique         2.34, 2.43 A)
 &rst
  ixpk= 29, nxpk= 9, iat=2122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2124,2125,
 &end
#
#  129 TYR  HD          129 TYR  HB+         4.50    (#     30:9   Unique         2.32, 3.07 A)
 &rst
  ixpk= 30, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2128,2137,
 igr2=2124,2125,
 &end
#
#  129 TYR  HD          129 TYR  HB-         4.50    (#     31:9   Unique         2.32, 3.07 A)
 &rst
  ixpk= 31, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2128,2137,
 igr2=2124,2125,
 &end
#
#  130 GLU  HA            0 AMB  9-1:32      8.00    (#     32:9   Single Ambig)
 &rst
  ixpk= 32, nxpk= 9, iat=2143,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=2026,2047,
 &end
#
#    0 AMB  9-2:34        0 AMB  9-1:34      3.50    (#     34:9   Double Ambig)
 &rst
  ixpk= 34, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=2158,2174,
 igr2=2162,2163,2164,2166,2167,2168,2181,2182,2183,2185,
      2186,2187,
 &end
#
#    0 AMB  9-2:35        0 AMB  9-1:35      4.50    (#     35:9   Double Ambig)
 &rst
  ixpk= 35, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2=2073,2141,
 &end
#
#    0 AMB  9-2:36      130 GLU  HN          8.00    (#     36:9   Single Ambig)
 &rst
  ixpk= 36, nxpk= 9, iat=  -1,2141, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=2210,2176,2177,
 &end
#
#  131 VAL  HA          125 ASP  HN          6.00    (#     37:9   Unique         4.43, 5.17 A)
 &rst
  ixpk= 37, nxpk= 9, iat=2158,2073, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:38      131 VAL  HN          4.50    (#     38:9   Single Ambig)
 &rst
  ixpk= 38, nxpk= 9, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 &end
#
#  123 GLU  HA          131 VAL  HN          6.00    (#     39:9   Unique         2.40, 4.19 A)
 &rst
  ixpk= 39, nxpk= 9, iat=2049,2156, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:40        0 AMB  9-1:40      2.60    (#     40:9   Double Ambig)
 &rst
  ixpk= 40, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2=2054,2055,2054,2055,2160,
 &end
#
#  123 GLU  HA          123 GLU  HG+         4.50    (#     42:9   Unique         2.25, 3.10 A)
 &rst
  ixpk= 42, nxpk= 9, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2054,2055,
 &end
#
#  131 VAL  HN          131 VAL  HB          4.50    (#     43:9   Unique         2.82, 3.24 A)
 &rst
  ixpk= 43, nxpk= 9, iat=2156,2160, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  9-2:44        0 AMB  9-1:44      2.60    (#     44:9   Double Ambig)
 &rst
  ixpk= 44, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=2054,2055,2054,2055,2160,
 igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 &end
#
#    0 AMB  9-2:45        0 AMB  9-1:45      6.00    (#     45:9   Double Ambig)
 &rst
  ixpk= 45, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2051,2052,2195,2196,
 igr2=2062,2191,
 &end
#
#    0 AMB  9-2:46        0 AMB  9-1:46      8.00    (#     46:9   Double Ambig)
 &rst
  ixpk= 46, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=2195,2196,2195,2196,
 igr2=2191,2222,
 &end
#
#  123 GLU  HA          133 ASP  HN          3.50    (#     47:9   Unique         4.10, 4.47 A)
 &rst
  ixpk= 47, nxpk= 9, iat=2049,2191, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  134 LEU  MDX           0 AMB  9-1:50      3.50    (#     50:9   Single Ambig)
 &rst
  ixpk= 50, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2212,2213,2214,2216,2217,2218,
 igr2=2176,2177,2210,
 &end
#
#  135 THR  MG2         136 GLU  HN          8.00    (#     51:9   Unique         2.36, 4.45 A)
 &rst
  ixpk= 51, nxpk= 9, iat=  -1,2236, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=2228,2229,2230,
 &end
#
#    0 AMB  9-2:52      136 GLU  HN          6.00    (#     52:9   Single Ambig)
 &rst
  ixpk= 52, nxpk= 9, iat=  -1,2236, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2224,2238,
 &end
#
#  135 THR  MG2         135 THR  HB          4.50    (#     53:9   Unique         2.45, 2.65 A)
 &rst
  ixpk= 53, nxpk= 9, iat=  -1,2226, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=2228,2229,2230,
 &end
#
#    0 AMB  9-2:54      135 THR  MG2         4.50    (#     54:9   Single Ambig)
 &rst
  ixpk= 54, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=2224,2238,
 igr2=2228,2229,2230,
 &end
#
#  136 GLU  HB-         136 GLU  HA          6.00    (#     55:9   Unique         2.32, 2.43 A)
 &rst
  ixpk= 55, nxpk= 9, iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2240,2241,
 &end
#
#  136 GLU  HB+         136 GLU  HA          6.00    (#     56:9   Unique         2.32, 2.43 A)
 &rst
  ixpk= 56, nxpk= 9, iat=  -1,2238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2240,2241,
 &end
#
#  134 LEU  MDX         136 GLU  HG-         6.00    (#     57:9   Unique         3.08, 6.57 A)
 &rst
  ixpk= 57, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2212,2213,2214,2216,2217,2218,
 igr2=2243,2244,
 &end
#
#  136 GLU  HB-         136 GLU  HG+         4.50    (#     59:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 59, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2240,2241,
 igr2=2243,2244,
 &end
#
#  136 GLU  HB-         136 GLU  HG-         4.50    (#     60:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 60, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2240,2241,
 igr2=2243,2244,
 &end
#
#  136 GLU  HB+         136 GLU  HG+         3.50    (#     61:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 61, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2240,2241,
 igr2=2243,2244,
 &end
#
#    0 AMB  9-2:62      136 GLU  HG-         2.60    (#     62:9   Single Ambig)
 &rst
  ixpk= 62, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.68, r4= 4.18,
 igr1=2240,2241,2145,2146,
 igr2=2243,2244,
 &end
#
#    0 AMB  9-2:64        0 AMB  9-1:64      6.00    (#     64:9   Double Ambig)
 &rst
  ixpk= 64, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2238,2224,2143,
 igr2=2243,2244,2243,2244,2243,2244,
 &end
#
#    0 AMB  9-2:65      136 GLU  HG-         6.00    (#     65:9   Single Ambig)
 &rst
  ixpk= 65, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2238,2224,2143,
 igr2=2243,2244,
 &end
#
#  136 GLU  HG+         136 GLU  HB+         3.50    (#     67:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 67, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2243,2244,
 igr2=2240,2241,
 &end
#
#  136 GLU  HA          136 GLU  HB+         4.50    (#     68:9   Unique         2.32, 2.43 A)
 &rst
  ixpk= 68, nxpk= 9, iat=2238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2240,2241,
 &end
#
#  136 GLU  HA          136 GLU  HB-         4.50    (#     69:9   Unique         2.32, 2.43 A)
 &rst
  ixpk= 69, nxpk= 9, iat=2238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2240,2241,
 &end
#
#  137 TYR  HB-         137 TYR  HN          6.00    (#     70:9   Unique         2.32, 3.34 A)
 &rst
  ixpk= 70, nxpk= 9, iat=  -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2255,2256,
 &end
#
#    0 AMB  9-2:71      137 TYR  HN          3.50    (#     71:9   Single Ambig)
 &rst
  ixpk= 71, nxpk= 9, iat=  -1,2251, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=2238,2224,
 &end
#
#  137 TYR  HA          137 TYR  HN          4.50    (#     72:9   Unique         2.78, 2.88 A)
 &rst
  ixpk= 72, nxpk= 9, iat=2253,2251, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 TYR  HD          137 TYR  HN          6.00    (#     73:9   Unique         1.95, 3.56 A)
 &rst
  ixpk= 73, nxpk= 9, iat=  -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2259,2268,
 &end
#
#  131 VAL  MGY         129 TYR  HH          6.00    (#     74:9   Unique         4.40, 7.43 A)
 &rst
  ixpk= 74, nxpk= 9, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2162,2163,2164,2166,2167,2168,
 &end
#
#  137 TYR  HB-         137 TYR  HD          4.50    (#     75:9   Unique         2.33, 3.06 A)
 &rst
  ixpk= 75, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2255,2256,
 igr2=2259,2268,
 &end
#
#  137 TYR  HE          137 TYR  HD          2.60    (#     76:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 76, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2261,2266,
 igr2=2259,2268,
 &end
#
#  137 TYR  HD          137 TYR  HE          2.60    (#     77:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 77, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2259,2268,
 igr2=2261,2266,
 &end
#
#  132 LEU  HB-         132 LEU  HN          6.00    (#     78:9   Unique         2.89, 3.27 A)
 &rst
  ixpk= 78, nxpk= 9, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2176,2177,
 &end
#
#    0 AMB  9-2:79      132 LEU  HN          6.00    (#     79:9   Single Ambig)
 &rst
  ixpk= 79, nxpk= 9, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2174,2158,
 &end
#
#  122 TYR  HE          122 TYR  HD          4.50    (#     80:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 80, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2036,2041,
 igr2=2034,2043,
 &end
#
#  122 TYR  HD          122 TYR  HE          4.50    (#     81:9   Unique         2.46, 3.69 A)
 &rst
  ixpk= 81, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2034,2043,
 igr2=2036,2041,
 &end
#
#    0 AMB  9-2:82        0 AMB  9-1:82      4.50    (#     82:9   Double Ambig)
 &rst
  ixpk= 82, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2075,2099,
 igr2=2077,2078,2101,2102,
 &end
#
#  132 LEU  HA          132 LEU  HB+         4.50    (#     83:9   Unique         2.26, 2.43 A)
 &rst
  ixpk= 83, nxpk= 9, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2176,2177,
 &end
#
#  132 LEU  HA          132 LEU  HB-         4.50    (#     84:9   Unique         2.26, 2.43 A)
 &rst
  ixpk= 84, nxpk= 9, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2176,2177,
 &end
#
#  132 LEU  MDY           0 AMB  9-1:85      3.50    (#     85:9   Single Ambig)
 &rst
  ixpk= 85, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=2210,2176,2177,
 &end
#
#  132 LEU  MDX           0 AMB  9-1:86      3.50    (#     86:9   Single Ambig)
 &rst
  ixpk= 86, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=2210,2176,2177,
 &end
#
#    0 AMB  9-2:87      132 LEU  HB-         4.50    (#     87:9   Single Ambig)
 &rst
  ixpk= 87, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
      2167,2168,
 igr2=2176,2177,
 &end
#
#  132 LEU  MDX         132 LEU  HB-         3.50    (#     88:9   Unique         2.33, 3.31 A)
 &rst
  ixpk= 88, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=2176,2177,
 &end
#
#    0 AMB  9-2:94      134 LEU  MDX         3.50    (#     94:9   Single Ambig)
 &rst
  ixpk= 94, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2176,2177,2210,
 igr2=2212,2213,2214,2216,2217,2218,
 &end
#
#  123 GLU  HA          131 VAL  MGX         3.50    (#     95:9   Unique         1.96, 4.01 A)
 &rst
  ixpk= 95, nxpk= 9, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=2162,2163,2164,2166,2167,2168,
 &end
#
#    0 AMB  9-2:98      126 ASP  HN          6.00    (#     98:9   Single Ambig)
 &rst
  ixpk= 98, nxpk= 9, iat=  -1,2085, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2066,2067,2066,2067,
 &end
#
#    0 AMB  9-2:99        0 AMB  9-1:99      6.00    (#     99:9   Double Ambig)
 &rst
  ixpk= 99, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2162,2163,2164,2166,2167,2168,2212,2213,2214,2216,
      2217,2218,
 igr2=2062,2222,
 &end
#
#    0 AMB  9-2:100       0 AMB  9-1:100     8.00    (#    100:9   Double Ambig)
 &rst
  ixpk= 100, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2210,2176,2177,
 igr2=2222,2191,
 &end
#
#  135 THR  HA          135 THR  HN          8.00    (#    101:9   Unique         2.29, 2.74 A)
 &rst
  ixpk= 101, nxpk= 9, iat=2224,2222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  9-2:102       0 AMB  9-1:102     6.00    (#    102:9   Double Ambig)
 &rst
  ixpk= 102, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2158,2174,
 igr2=2062,2191,
 &end
#
#    0 AMB  9-2:103     124 SER  HN          6.00    (#    103:9   Single Ambig)
 &rst
  ixpk= 103, nxpk= 9, iat=  -1,2062, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=2066,2067,2066,2067,2064,
 &end
#
#    0 AMB  9-2:106     134 LEU  MDY         4.50    (#    106:9   Single Ambig)
 &rst
  ixpk= 106, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2176,2177,2210,
 igr2=2212,2213,2214,2216,2217,2218,
 &end
#
#  125 ASP  HB+         122 TYR  HE          6.00    (#    118:9   Unique         1.92, 4.62 A)
 &rst
  ixpk= 118, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2077,2078,
 igr2=2036,2041,
 &end
#
#    0 AMB  9-2:121     129 TYR  HE          6.00    (#    121:9   Single Ambig)
 &rst
  ixpk= 121, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2064,2066,2067,2066,2067,
 igr2=2130,2135,
 &end
#
#    0 AMB  9-2:122     129 TYR  HE          6.00    (#    122:9   Single Ambig)
 &rst
  ixpk= 122, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2=2130,2135,
 &end
#
#  130 GLU  HA          130 GLU  HB+         4.50    (#    123:9   Unique         2.33, 2.71 A)
 &rst
  ixpk= 123, nxpk= 9, iat=2143,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2145,2146,
 &end
#
#  130 GLU  HG+         130 GLU  HB+         3.50    (#    124:9   Unique         2.21, 2.65 A)
 &rst
  ixpk= 124, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2148,2149,
 igr2=2145,2146,
 &end
#
#    0 AMB  9-2:127     132 LEU  HG          6.00    (#    127:9   Single Ambig)
 &rst
  ixpk= 127, nxpk= 9, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2174,2158,
 &end
#
#    0 AMB  9-2:128     131 VAL  MGX         3.50    (#    128:9   Single Ambig)
 &rst
  ixpk= 128, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2158,2174,
 igr2=2162,2163,2164,2166,2167,2168,
 &end
#
#    0 AMB  9-2:129     132 LEU  HG          4.50    (#    129:9   Single Ambig)
 &rst
  ixpk= 129, nxpk= 9, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
      2167,2168,
 &end
#
#  132 LEU  MDX         132 LEU  HG          3.50    (#    130:9   Unique         2.44, 2.64 A)
 &rst
  ixpk= 130, nxpk= 9, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=2181,2182,2183,2185,2186,2187,
 &end
#
#  133 ASP  HA          132 LEU  HN          4.50    (#    131:9   Unique         4.56, 4.93 A)
 &rst
  ixpk= 131, nxpk= 9, iat=2193,2172, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  132 LEU  HB+         132 LEU  HN          6.00    (#    132:9   Unique         2.89, 3.27 A)
 &rst
  ixpk= 132, nxpk= 9, iat=  -1,2172, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2176,2177,
 &end
#
#  135 THR  MG2           0 AMB  9-1:133     6.00    (#    133:9   Single Ambig)
 &rst
  ixpk= 133, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2228,2229,2230,
 igr2=2224,2238,
 &end
#
#  136 GLU  HG+         136 GLU  HB-         8.00    (#    134:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 134, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2243,2244,
 igr2=2240,2241,
 &end
#
#  136 GLU  HG-         136 GLU  HB-         6.00    (#    135:9   Unique         2.20, 2.63 A)
 &rst
  ixpk= 135, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2243,2244,
 igr2=2240,2241,
 &end
#
#  137 TYR  HA          137 TYR  HD          4.50    (#    136:9   Unique         4.04, 4.19 A)
 &rst
  ixpk= 136, nxpk= 9, iat=2253,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2259,2268,
 &end
#
#    0 AMB  9-2:138     131 VAL  MGX         2.60    (#    138:9   Single Ambig)
 &rst
  ixpk= 138, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.21, r4= 4.71,
 igr1=2054,2055,2160,
 igr2=2162,2163,2164,2166,2167,2168,
 &end
#
#  129 TYR  HB+         129 TYR  HD          4.50    (#    141:9   Unique         2.32, 3.07 A)
 &rst
  ixpk= 141, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2124,2125,
 igr2=2128,2137,
 &end
#
#  137 TYR  HB+         137 TYR  HD          4.50    (#    142:9   Unique         2.33, 3.06 A)
 &rst
  ixpk= 142, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2255,2256,
 igr2=2259,2268,
 &end
#
#  137 TYR  HB+         137 TYR  HN          6.00    (#    143:9   Unique         2.32, 3.34 A)
 &rst
  ixpk= 143, nxpk= 9, iat=  -1,2251, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2255,2256,
 &end
#
#  132 LEU  HG          132 LEU  HN          6.00    (#    145:9   Unique         1.89, 2.07 A)
 &rst
  ixpk= 145, nxpk= 9, iat=2179,2172, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  129 TYR  HD          122 TYR  HD          3.50    (#    146:9   Unique         3.81, 7.61 A)
 &rst
  ixpk= 146, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2128,2137,
 igr2=2034,2043,
 &end
#
#  135 THR  HB          135 THR  HN          8.00    (#    150:9   Unique         2.59, 3.00 A)
 &rst
  ixpk= 150, nxpk= 9, iat=2226,2222, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  9-2:152     129 TYR  HH          6.00    (#    152:9   Single Ambig)
 &rst
  ixpk= 152, nxpk= 9, iat=  -1,2133, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=2066,2067,2066,2067,2064,
 &end
#
#  133 ASP  HA          133 ASP  HB-         3.50    (#    153:9   Unique         2.29, 2.44 A)
 &rst
  ixpk= 153, nxpk= 9, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=2195,2196,
 &end
#
#  133 ASP  HA          133 ASP  HB+         4.50    (#    154:9   Unique         2.29, 2.44 A)
 &rst
  ixpk= 154, nxpk= 9, iat=2193,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=2195,2196,
 &end
#
#  129 TYR  HE          122 TYR  HD          6.00    (#    155:9   Unique         5.13, 8.96 A)
 &rst
  ixpk= 155, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2130,2135,
 igr2=2034,2043,
 &end
#
#  122 TYR  HE          129 TYR  HD          6.00    (#    156:9   Unique         4.80, 8.53 A)
 &rst
  ixpk= 156, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2036,2041,
 igr2=2128,2137,
 &end
#
#    0 AMB  9-2:158     132 LEU  MDX         6.00    (#    158:9   Single Ambig)
 &rst
  ixpk= 158, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2174,2158,
 igr2=2181,2182,2183,2185,2186,2187,
 &end
#
#    0 AMB  9-2:159     132 LEU  HN          8.00    (#    159:9   Single Ambig)
 &rst
  ixpk= 159, nxpk= 9, iat=  -1,2172, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=2162,2163,2164,2166,2167,2168,2181,2182,2183,2185,
      2186,2187,
 &end
#
#  134 LEU  MDY           0 AMB  9-1:160     4.50    (#    160:9   Single Ambig)
 &rst
  ixpk= 160, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2212,2213,2214,2216,2217,2218,
 igr2=2176,2177,2210,
 &end
#
#  135 THR  MG2         135 THR  HN          6.00    (#    161:9   Unique         4.28, 4.66 A)
 &rst
  ixpk= 161, nxpk= 9, iat=  -1,2222, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2228,2229,2230,
 &end
#
#  135 THR  HB          135 THR  MG2         3.50    (#    162:9   Unique         2.45, 2.65 A)
 &rst
  ixpk= 162, nxpk= 9, iat=2226,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=2228,2229,2230,
 &end
#
#  130 GLU  HA          130 GLU  HB-         6.00    (#    164:9   Unique         2.33, 2.71 A)
 &rst
  ixpk= 164, nxpk= 9, iat=2143,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2145,2146,
 &end
#
#    0 AMB  9-2:165       0 AMB  9-1:165     6.00    (#    165:9   Double Ambig)
 &rst
  ixpk= 165, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2158,2174,
 igr2=2160,2054,2055,2054,2055,
 &end
#
#    0 AMB  9-2:166     131 VAL  HN          8.00    (#    166:9   Single Ambig)
 &rst
  ixpk= 166, nxpk= 9, iat=  -1,2156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=2143,2158,
 &end
#
#  132 LEU  MDY         136 GLU  HB-         6.00    (#    167:9   Unique         4.94, 7.85 A)
 &rst
  ixpk= 167, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=2240,2241,
 &end
#
#    0 AMB  9-2:168     132 LEU  MDY         4.50    (#    168:9   Single Ambig)
 &rst
  ixpk= 168, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2210,2176,2177,
 igr2=2181,2182,2183,2185,2186,2187,
 &end
#
#    0 AMB  9-2:170     132 LEU  MDX         4.50    (#    170:9   Single Ambig)
 &rst
  ixpk= 170, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=2210,2176,2177,
 igr2=2181,2182,2183,2185,2186,2187,
 &end
#
#  132 LEU  HG            0 AMB  9-1:171     4.50    (#    171:9   Single Ambig)
 &rst
  ixpk= 171, nxpk= 9, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
      2167,2168,
 &end
#
#  132 LEU  HG          132 LEU  MDX         4.50    (#    172:9   Unique         2.44, 2.64 A)
 &rst
  ixpk= 172, nxpk= 9, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=2181,2182,2183,2185,2186,2187,
 &end
#
#  132 LEU  HB-         132 LEU  MDX         6.00    (#    173:9   Unique         2.33, 3.31 A)
 &rst
  ixpk= 173, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2176,2177,
 igr2=2181,2182,2183,2185,2186,2187,
 &end
#
#  132 LEU  HB-           0 AMB  9-1:174     6.00    (#    174:9   Single Ambig)
 &rst
  ixpk= 174, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2176,2177,
 igr2=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
      2167,2168,
 &end
#
#  123 GLU  HA            0 AMB  9-1:175     4.50    (#    175:9   Single Ambig)
 &rst
  ixpk= 175, nxpk= 9, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 &end
#
#  123 GLU  HB+         133 ASP  HB+         2.60    (#    181:9   Unique         7.14, 9.13 A)
 &rst
  ixpk= 181, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.28, r4= 3.78,
 igr1=2051,2052,
 igr2=2195,2196,
 &end
#
#    0 AMB  9-2:188     132 LEU  HG          2.60    (#    188:9   Single Ambig)
 &rst
  ixpk= 188, nxpk= 9, iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=2210,2176,2177,
 &end
#
#  132 LEU  HG            0 AMB  9-1:189     2.60    (#    189:9   Single Ambig)
 &rst
  ixpk= 189, nxpk= 9, iat=2179,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr2=2210,2176,2177,
 &end
#
#  131 VAL  HB          131 VAL  HN          4.50    (#    191:9   Unique         2.82, 3.24 A)
 &rst
  ixpk= 191, nxpk= 9, iat=2160,2156, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  137 TYR  HN          137 TYR  HD          8.00    (#    192:9   Unique         1.95, 3.56 A)
 &rst
  ixpk= 192, nxpk= 9, iat=2251,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=2259,2268,
 &end
#
#  133 ASP  HN          132 LEU  HN          8.00    (#    194:9   Unique         2.47, 3.12 A)
 &rst
  ixpk= 194, nxpk= 9, iat=2191,2172, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  131 VAL  HN            0 AMB  9-1:195     6.00    (#    195:9   Single Ambig)
 &rst
  ixpk= 195, nxpk= 9, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2210,2176,2177,
 &end
#
#  132 LEU  HN          132 LEU  HB+         8.00    (#    196:9   Unique         2.89, 3.27 A)
 &rst
  ixpk= 196, nxpk= 9, iat=2172,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=2176,2177,
 &end
#
#  132 LEU  HN          132 LEU  HG          6.00    (#    197:9   Unique         1.89, 2.07 A)
 &rst
  ixpk= 197, nxpk= 9, iat=2172,2179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  9-2:198       0 AMB  9-1:198     8.00    (#    198:9   Double Ambig)
 &rst
  ixpk= 198, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2222,2191,
 igr2=2210,2176,2177,
 &end
#
#  131 VAL  HN            0 AMB  9-1:199     4.50    (#    199:9   Single Ambig)
 &rst
  ixpk= 199, nxpk= 9, iat=2156,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 &end
#
#    0 AMB  9-2:200     131 VAL  MGX         6.00    (#    200:9   Single Ambig)
 &rst
  ixpk= 200, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2073,2141,
 igr2=2162,2163,2164,2166,2167,2168,
 &end
#
#  135 THR  HN          134 LEU  MDX         6.00    (#    201:9   Unique         2.01, 4.74 A)
 &rst
  ixpk= 201, nxpk= 9, iat=2222,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=2212,2213,2214,2216,2217,2218,
 &end
#
#    0 AMB  9-2:202       0 AMB  9-1:202     6.00    (#    202:9   Double Ambig)
 &rst
  ixpk= 202, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2191,2222,
 igr2=2195,2196,2195,2196,
 &end
#
#    0 AMB  9-2:203     133 ASP  HB-         8.00    (#    203:9   Single Ambig)
 &rst
  ixpk= 203, nxpk= 9, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2191,2222,
 igr2=2195,2196,
 &end
#
#  137 TYR  HN          137 TYR  HB+         6.00    (#    204:9   Unique         2.32, 3.34 A)
 &rst
  ixpk= 204, nxpk= 9, iat=2251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2255,2256,
 &end
#
#  137 TYR  HN          137 TYR  HB-         6.00    (#    205:9   Unique         2.32, 3.34 A)
 &rst
  ixpk= 205, nxpk= 9, iat=2251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=2255,2256,
 &end
#
#  123 GLU  HA            0 AMB  9-1:206     6.00    (#    206:9   Single Ambig)
 &rst
  ixpk= 206, nxpk= 9, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=2176,2177,2210,
 &end
#
#    0 AMB  25-2:0       99 TYR  HD          4.50    (#      0:25  Single Ambig)
 &rst
  ixpk= 0, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1827,1828,1830,
 igr2=1681,1690,
 &end
#
#    7 PHE  HB-           7 PHE  HD          10.00    (#      1:25  Unique         2.31, 3.05 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 101, 102,
 igr2= 105, 113,
 &end
#
#    0 AMB  25-2:2        7 PHE  HD          10.00    (#      2:25  Single Ambig)
 &rst
  ixpk= 2, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.14, r4=14.64,
 igr1= 280, 281, 101, 102,
 igr2= 105, 113,
 &end
#
#   13 PHE  HB+          13 PHE  HD          10.00    (#      3:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 222, 223,
 igr2= 226, 234,
 &end
#
#   13 PHE  HB-          13 PHE  HD          6.00    (#      4:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 222, 223,
 igr2= 226, 234,
 &end
#
#   52 PHE  HB-          52 PHE  HD          4.50    (#      5:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 911, 912,
 igr2= 915, 923,
 &end
#
#   52 PHE  HB+          52 PHE  HD          4.50    (#      6:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 911, 912,
 igr2= 915, 923,
 &end
#
#   52 PHE  HE           52 PHE  HD          3.50    (#      7:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 917, 921,
 igr2= 915, 923,
 &end
#
#    0 AMB  25-2:8        0 AMB  25-1:8      3.50    (#      8:25  Double Ambig)
 &rst
  ixpk= 8, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1399,1403, 919,
 igr2=1397,1405, 917, 921,
 &end
#
#    0 AMB  25-2:9        0 AMB  25-1:9      4.50    (#      9:25  Double Ambig)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1397,1405, 917, 921,
 igr2=1399,1403, 919,
 &end
#
#   79 PHE  HB-          79 PHE  HD          6.00    (#     10:25  Unique         2.30, 3.04 A)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1373,1374,
 igr2=1377,1385,
 &end
#
#    0 AMB  25-2:11      79 PHE  HD          6.00    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1187,1188,1373,1374,
 igr2=1377,1385,
 &end
#
#   79 PHE  HZ           79 PHE  HD          10.00    (#     12:25  Unique         4.27, 4.27 A)
 &rst
  ixpk= 12, nxpk= 25, iat=1381,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1377,1385,
 &end
#
#   79 PHE  HZ           79 PHE  HE          6.00    (#     15:25  Unique         2.47, 2.47 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1379,1383,
 &end
#
#   79 PHE  HE           79 PHE  HZ          3.50    (#     16:25  Unique         2.47, 2.47 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1379,1383,
 &end
#
#   81 LEU  HB-          79 PHE  HZ          10.00    (#     17:25  Unique         1.92, 4.68 A)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1413,1414,
 &end
#
#    0 AMB  25-2:18      79 PHE  HZ          6.00    (#     18:25  Single Ambig)
 &rst
  ixpk= 18, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 &end
#
#   67 ILE  QG2          79 PHE  HZ          6.00    (#     19:25  Unique         2.23, 3.78 A)
 &rst
  ixpk= 19, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1164,1165,1166,
 &end
#
#    0 AMB  25-2:20       7 PHE  HD          3.50    (#     20:25  Single Ambig)
 &rst
  ixpk= 20, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 180, 139,
 igr2= 105, 113,
 &end
#
#   13 PHE  HA           13 PHE  HD          10.00    (#     21:25  Unique         2.40, 3.42 A)
 &rst
  ixpk= 21, nxpk= 25, iat= 220,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2= 226, 234,
 &end
#
#   63 LEU  MDY          52 PHE  HD          6.00    (#     26:25  Unique         1.74, 5.86 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2= 915, 923,
 &end
#
#    0 AMB  25-2:27      52 PHE  HD          4.50    (#     27:25  Single Ambig)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 578, 579, 580, 582, 583, 584, 952, 953, 954, 956,
       957, 958,2162,2163,2164,2166,2167,2168,2181,2182,
      2183,2185,2186,2187,
 igr2= 915, 923,
 &end
#
#    0 AMB  25-2:28      52 PHE  HD          6.00    (#     28:25  Single Ambig)
 &rst
  ixpk= 28, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 952, 953, 954, 956, 957, 958,1168,1169,
 igr2= 915, 923,
 &end
#
#   81 LEU  HG           52 PHE  HD          10.00    (#     29:25  Unique         5.19, 7.93 A)
 &rst
  ixpk= 29, nxpk= 25, iat=1416,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2= 915, 923,
 &end
#
#    0 AMB  25-2:30      52 PHE  HD          6.00    (#     30:25  Single Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=2176,2177, 617, 618,1162,
 igr2= 915, 923,
 &end
#
#   35 ILE  HB           52 PHE  HD          6.00    (#     31:25  Unique         1.79, 4.33 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 915, 923,
 &end
#
#    0 AMB  25-2:32      52 PHE  HD          6.00    (#     32:25  Single Ambig)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 950,1867,1868,1867,1868,
 igr2= 915, 923,
 &end
#
#   63 LEU  HB+          52 PHE  HD          10.00    (#     33:25  Unique         3.09, 5.76 A)
 &rst
  ixpk= 33, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1=1083,1084,
 igr2= 915, 923,
 &end
#
#   49 LYS  HE+          52 PHE  HD          10.00    (#     34:25  Unique         4.26, 6.80 A)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 862, 863,
 igr2= 915, 923,
 &end
#
#   80 PHE  HB-          80 PHE  HD          6.00    (#     38:25  Unique         2.31, 3.05 A)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1393,1394,
 igr2=1397,1405,
 &end
#
#   80 PHE  HB+          80 PHE  HD          4.50    (#     39:25  Unique         2.31, 3.05 A)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1393,1394,
 igr2=1397,1405,
 &end
#
#  117 GLU  HA           80 PHE  HD          10.00    (#     40:25  Unique         3.38, 5.80 A)
 &rst
  ixpk= 40, nxpk= 25, iat=1957,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1397,1405,
 &end
#
#    0 AMB  25-2:41      80 PHE  HD          4.50    (#     41:25  Single Ambig)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1940,1371,
 igr2=1397,1405,
 &end
#
#   79 PHE  HE           79 PHE  HD          4.50    (#     42:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1379,1383,
 igr2=1377,1385,
 &end
#
#   80 PHE  HN           80 PHE  HD          10.00    (#     43:25  Unique         2.69, 4.35 A)
 &rst
  ixpk= 43, nxpk= 25, iat=1389,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1397,1405,
 &end
#
#  117 GLU  HB-          80 PHE  HE          10.00    (#     44:25  Unique         2.78, 6.79 A)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1=1959,1960,
 igr2=1399,1403,
 &end
#
#   78 ALA  MB           80 PHE  HE          6.00    (#     45:25  Unique         2.26, 5.70 A)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1363,1364,1365,
 igr2=1399,1403,
 &end
#
#    0 AMB  25-2:46       0 AMB  25-1:46     6.00    (#     46:25  Double Ambig)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1940,1371,1038,1449,
 igr2=1399,1403, 919,
 &end
#
#  117 GLU  HN           80 PHE  HE          10.00    (#     47:25  Unique         3.45, 5.89 A)
 &rst
  ixpk= 47, nxpk= 25, iat=1955,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1399,1403,
 &end
#
#    0 AMB  25-2:48      79 PHE  HD          10.00    (#     48:25  Single Ambig)
 &rst
  ixpk= 48, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.19, r4=16.69,
 igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
 igr2=1377,1385,
 &end
#
#   64 ILE  QG2          79 PHE  HD          6.00    (#     49:25  Unique         2.69, 6.36 A)
 &rst
  ixpk= 49, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1104,1105,1106,
 igr2=1377,1385,
 &end
#
#   80 PHE  HD           80 PHE  HZ          10.00    (#     51:25  Unique         4.27, 4.27 A)
 &rst
  ixpk= 51, nxpk= 25, iat=  -1,1401, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1397,1405,
 &end
#
#   33 VAL  HA          108 PHE  HD          10.00    (#     54:25  Unique         2.19, 5.79 A)
 &rst
  ixpk= 54, nxpk= 25, iat= 574,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1811,1819,
 &end
#
#    0 AMB  25-2:55     108 PHE  HD          4.50    (#     55:25  Single Ambig)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 283,1813,1817,
 igr2=1811,1819,
 &end
#
#  107 GLY  HN          108 PHE  HD          10.00    (#     56:25  Unique         4.66, 6.20 A)
 &rst
  ixpk= 56, nxpk= 25, iat=1796,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1811,1819,
 &end
#
#  119 PHE  HB-         119 PHE  HD          6.00    (#     59:25  Unique         2.30, 3.05 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1988,1989,
 igr2=1992,2000,
 &end
#
#   53 LEU  MDY          27 HIS  HD2         6.00    (#     66:25  Unique         5.22, 7.34 A)
 &rst
  ixpk= 66, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   23 ILE  HG1-         27 HIS  HD2         10.00    (#     69:25  Unique         2.00, 3.38 A)
 &rst
  ixpk= 69, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 406, 407,
 &end
#
#   26 GLN  HG-          27 HIS  HD2         10.00    (#     70:25  Unique         1.91, 3.81 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 461, 462,
 &end
#
#   38 TYR  HD           38 TYR  HE          3.50    (#     75:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 673, 682,
 igr2= 675, 680,
 &end
#
#   43 GLN  HN           38 TYR  HE          10.00    (#     76:25  Unique         2.08, 5.39 A)
 &rst
  ixpk= 76, nxpk= 25, iat= 752,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2= 675, 680,
 &end
#
#   31 ILE  QD1          99 TYR  HD          4.50    (#     77:25  Unique         1.85, 4.60 A)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 552, 553, 554,
 igr2=1681,1690,
 &end
#
#  109 LEU  MDX          99 TYR  HD          6.00    (#     78:25  Unique         2.20, 5.71 A)
 &rst
  ixpk= 78, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1681,1690,
 &end
#
#  109 LEU  MDY          99 TYR  HD          6.00    (#     79:25  Unique         2.20, 5.71 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1681,1690,
 &end
#
#  103 LYS  HD+          99 TYR  HD          6.00    (#     80:25  Unique         2.98, 5.99 A)
 &rst
  ixpk= 80, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1745,1746,
 igr2=1681,1690,
 &end
#
#  109 LEU  HB+          99 TYR  HD          6.00    (#     81:25  Unique         1.98, 5.59 A)
 &rst
  ixpk= 81, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1827,1828,
 igr2=1681,1690,
 &end
#
#   99 TYR  HB-          99 TYR  HD          6.00    (#     82:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 82, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1677,1678,
 igr2=1681,1690,
 &end
#
#   99 TYR  HB+          99 TYR  HD          4.50    (#     83:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 83, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1677,1678,
 igr2=1681,1690,
 &end
#
#    0 AMB  25-2:84      99 TYR  HD          4.50    (#     84:25  Single Ambig)
 &rst
  ixpk= 84, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1675,1633,
 igr2=1681,1690,
 &end
#
#  103 LYS  HA           99 TYR  HD          10.00    (#     85:25  Unique         2.48, 4.85 A)
 &rst
  ixpk= 85, nxpk= 25, iat=1737,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1681,1690,
 &end
#
#   99 TYR  HE           99 TYR  HD          3.50    (#     86:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 86, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1683,1688,
 igr2=1681,1690,
 &end
#
#    0 AMB  25-2:87      99 TYR  HD          6.00    (#     87:25  Single Ambig)
 &rst
  ixpk= 87, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1673,1757,
 igr2=1681,1690,
 &end
#
#   31 ILE  QD1          99 TYR  HE          6.00    (#     88:25  Unique         3.33, 5.53 A)
 &rst
  ixpk= 88, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 552, 553, 554,
 igr2=1683,1688,
 &end
#
#   31 ILE  QG2          99 TYR  HE          6.00    (#     89:25  Unique         3.23, 5.66 A)
 &rst
  ixpk= 89, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 545, 546, 547,
 igr2=1683,1688,
 &end
#
#    0 AMB  25-2:91      99 TYR  HE          4.50    (#     91:25  Single Ambig)
 &rst
  ixpk= 91, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1811,1819,1681,1690,
 igr2=1683,1688,
 &end
#
#   34 ILE  QG2         110 TYR  HD          6.00    (#     92:25  Unique         3.69, 6.41 A)
 &rst
  ixpk= 92, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 594, 595, 596,
 igr2=1850,1859,
 &end
#
#   34 ILE  HB          110 TYR  HD          6.00    (#     93:25  Unique         3.11, 4.86 A)
 &rst
  ixpk= 93, nxpk= 25, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1850,1859,
 &end
#
#  110 TYR  HB-         110 TYR  HD          6.00    (#     94:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 94, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1846,1847,
 igr2=1850,1859,
 &end
#
#  110 TYR  HB+         110 TYR  HD          6.00    (#     95:25  Unique         2.32, 3.06 A)
 &rst
  ixpk= 95, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1846,1847,
 igr2=1850,1859,
 &end
#
#  104 ASP  HB-         110 TYR  HD          6.00    (#     96:25  Unique         2.91, 5.70 A)
 &rst
  ixpk= 96, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1761,1762,
 igr2=1850,1859,
 &end
#
#  104 ASP  HB+         110 TYR  HD          6.00    (#     97:25  Unique         2.91, 5.70 A)
 &rst
  ixpk= 97, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1761,1762,
 igr2=1850,1859,
 &end
#
#   34 ILE  HA          110 TYR  HD          6.00    (#     98:25  Unique         5.83, 7.59 A)
 &rst
  ixpk= 98, nxpk= 25, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1850,1859,
 &end
#
#  110 TYR  HA          110 TYR  HD          10.00    (#     99:25  Unique         2.30, 3.54 A)
 &rst
  ixpk= 99, nxpk= 25, iat=1844,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1850,1859,
 &end
#
#  110 TYR  HE          110 TYR  HD          2.80    (#    100:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 100, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1852,1857,
 igr2=1850,1859,
 &end
#
#  110 TYR  HN          110 TYR  HD          6.00    (#    102:25  Unique         1.92, 4.12 A)
 &rst
  ixpk= 102, nxpk= 25, iat=1842,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1850,1859,
 &end
#
#  104 ASP  HN          110 TYR  HD          6.00    (#    103:25  Unique         4.72, 7.67 A)
 &rst
  ixpk= 103, nxpk= 25, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1850,1859,
 &end
#
#   35 ILE  HG1+        113 TYR  HD          4.50    (#    105:25  Unique         1.94, 4.29 A)
 &rst
  ixpk= 105, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 617, 618,
 igr2=1904,1913,
 &end
#
#    0 AMB  25-2:106    113 TYR  HD          6.00    (#    106:25  Single Ambig)
 &rst
  ixpk= 106, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 igr2=1904,1913,
 &end
#
#   44 LEU  MDX         113 TYR  HD          4.50    (#    107:25  Unique         1.84, 5.91 A)
 &rst
  ixpk= 107, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1904,1913,
 &end
#
#   35 ILE  HB          113 TYR  HD          10.00    (#    108:25  Unique         4.11, 6.41 A)
 &rst
  ixpk= 108, nxpk= 25, iat= 611,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2=1904,1913,
 &end
#
#    0 AMB  25-2:109    113 TYR  HD          10.00    (#    109:25  Single Ambig)
 &rst
  ixpk= 109, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.14, r4=14.64,
 igr1=1867,1868,1867,1868,
 igr2=1904,1913,
 &end
#
#  113 TYR  HB-         113 TYR  HD          6.00    (#    110:25  Unique         2.32, 3.07 A)
 &rst
  ixpk= 110, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1900,1901,
 igr2=1904,1913,
 &end
#
#  113 TYR  HB+         113 TYR  HD          6.00    (#    111:25  Unique         2.32, 3.07 A)
 &rst
  ixpk= 111, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1900,1901,
 igr2=1904,1913,
 &end
#
#  113 TYR  HA          113 TYR  HD          6.00    (#    112:25  Unique         1.86, 3.63 A)
 &rst
  ixpk= 112, nxpk= 25, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1904,1913,
 &end
#
#  113 TYR  HE          113 TYR  HD          3.50    (#    113:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 113, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1906,1911,
 igr2=1904,1913,
 &end
#
#  113 TYR  HN          113 TYR  HD          6.00    (#    115:25  Unique         2.59, 4.47 A)
 &rst
  ixpk= 115, nxpk= 25, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1904,1913,
 &end
#
#  113 TYR  HD          113 TYR  HE          4.50    (#    118:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 118, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1904,1913,
 igr2=1906,1911,
 &end
#
#    0 AMB  25-2:119     38 TYR  HD          4.50    (#    119:25  Single Ambig)
 &rst
  ixpk= 119, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 igr2= 673, 682,
 &end
#
#    0 AMB  25-2:120     38 TYR  HD          4.50    (#    120:25  Single Ambig)
 &rst
  ixpk= 120, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 645, 646, 690, 691,
 igr2= 673, 682,
 &end
#
#   39 LYS  HG+          38 TYR  HD          6.00    (#    121:25  Unique         5.34, 7.59 A)
 &rst
  ixpk= 121, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 693, 694,
 igr2= 673, 682,
 &end
#
#    0 AMB  25-2:122     38 TYR  HD          6.00    (#    122:25  Single Ambig)
 &rst
  ixpk= 122, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 719, 720, 759, 760, 722, 723,1900,1901,
 igr2= 673, 682,
 &end
#
#   38 TYR  HB-          38 TYR  HD          4.50    (#    123:25  Unique         2.32, 3.07 A)
 &rst
  ixpk= 123, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 669, 670,
 igr2= 673, 682,
 &end
#
#   38 TYR  HB+          38 TYR  HD          6.00    (#    124:25  Unique         2.32, 3.07 A)
 &rst
  ixpk= 124, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 669, 670,
 igr2= 673, 682,
 &end
#
#   40 GLY  HA-          38 TYR  HD          6.00    (#    125:25  Unique         1.99, 5.96 A)
 &rst
  ixpk= 125, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 710, 711,
 igr2= 673, 682,
 &end
#
#   38 TYR  HA           38 TYR  HD          4.50    (#    126:25  Unique         3.57, 4.17 A)
 &rst
  ixpk= 126, nxpk= 25, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 673, 682,
 &end
#
#   38 TYR  HE           38 TYR  HD          3.50    (#    127:25  Unique         2.46, 3.69 A)
 &rst
  ixpk= 127, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 675, 680,
 igr2= 673, 682,
 &end
#
#  116 GLN  HN           38 TYR  HD          6.00    (#    129:25  Unique         5.39, 7.19 A)
 &rst
  ixpk= 129, nxpk= 25, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 673, 682,
 &end
#
#   39 LYS  HN           38 TYR  HD          6.00    (#    130:25  Unique         3.58, 5.07 A)
 &rst
  ixpk= 130, nxpk= 25, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 673, 682,
 &end
#
#    7 PHE  HA            7 PHE  HE          10.00    (#    131:25  Unique         4.29, 6.06 A)
 &rst
  ixpk= 131, nxpk= 25, iat=  99,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2= 107, 111,
 &end
#
#    7 PHE  HB-           7 PHE  HE          10.00    (#    132:25  Unique         4.61, 5.05 A)
 &rst
  ixpk= 132, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 101, 102,
 igr2= 107, 111,
 &end
#
#    0 AMB  25-2:133      0 AMB  25-1:133    6.00    (#    133:25  Double Ambig)
 &rst
  ixpk= 133, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1389, 607,
 igr2=1397,1405, 917, 921,
 &end
#
#   44 LEU  MDY          79 PHE  HD          6.00    (#    134:25  Unique         2.53, 6.71 A)
 &rst
  ixpk= 134, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1377,1385,
 &end
#
#   81 LEU  HB+          79 PHE  HZ          10.00    (#    135:25  Unique         1.92, 4.68 A)
 &rst
  ixpk= 135, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1413,1414,
 &end
#
#   71 LEU  HB+          79 PHE  HZ          10.00    (#    136:25  Unique         3.50, 6.46 A)
 &rst
  ixpk= 136, nxpk= 25, iat=  -1,1381, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1=1253,1254,
 &end
#
#  119 PHE  HA          119 PHE  HD          6.00    (#    139:25  Unique         2.06, 3.78 A)
 &rst
  ixpk= 139, nxpk= 25, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1992,2000,
 &end
#
#  118 THR  HN          119 PHE  HD          6.00    (#    142:25  Unique         5.04, 6.97 A)
 &rst
  ixpk= 142, nxpk= 25, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1992,2000,
 &end
#
#   27 HIS  HB-          27 HIS  HD2         10.00    (#    144:25  Unique         2.70, 3.12 A)
 &rst
  ixpk= 144, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr1= 475, 476,
 &end
#
#    0 AMB  25-2:145     27 HIS  HD2         6.00    (#    145:25  Single Ambig)
 &rst
  ixpk= 145, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 475, 476, 530, 531,
 &end
#
#    0 AMB  25-2:146     27 HIS  HD2         6.00    (#    146:25  Single Ambig)
 &rst
  ixpk= 146, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 458, 459, 400,
 &end
#
#   26 GLN  HB+          27 HIS  HD2         6.00    (#    147:25  Unique         3.58, 5.74 A)
 &rst
  ixpk= 147, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 458, 459,
 &end
#
#   23 ILE  QD1          27 HIS  HD2         4.50    (#    148:25  Unique         2.26, 3.94 A)
 &rst
  ixpk= 148, nxpk= 25, iat=  -1, 485, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 409, 410, 411,
 &end
#
#   37 ARG  HG+          38 TYR  HD          10.00    (#    149:25  Unique         2.33, 5.82 A)
 &rst
  ixpk= 149, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.60, r4=13.10,
 igr1= 648, 649,
 igr2= 673, 682,
 &end
#
#   40 GLY  HA-          38 TYR  HD          6.00    (#    150:25  Unique         1.99, 5.96 A)
 &rst
  ixpk= 150, nxpk= 25, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 710, 711,
 igr2= 673, 682,
 &end
#
#   38 TYR  HN           38 TYR  HD          10.00    (#    152:25  Unique         1.77, 3.41 A)
 &rst
  ixpk= 152, nxpk= 25, iat= 665,  -1, r1= 1.30, r2= 1.80, r3=11.22, r4=11.72,
 igr2= 673, 682,
 &end
#
#   20 VAL  MGX          20 VAL  HA          4.50    (#      0:20  Unique         2.38, 3.13 A)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1        0 AMB  20-1:1      3.50    (#      1:20  Double Ambig)
 &rst
  ixpk= 1, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
       941, 942,
 igr2= 565, 566, 341,
 &end
#
#    0 AMB  20-2:3       23 ILE  QG2         6.00    (#      3:20  Single Ambig)
 &rst
  ixpk= 3, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 936, 937, 938, 940, 941, 942, 343, 344, 345, 347,
       348, 349,
 igr2= 402, 403, 404,
 &end
#
#   34 ILE  HG1+         34 ILE  QG2         6.00    (#      4:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 598, 599,
 igr2= 594, 595, 596,
 &end
#
#   34 ILE  QD1          34 ILE  QG2         4.50    (#      5:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 601, 602, 603,
 igr2= 594, 595, 596,
 &end
#
#   71 LEU  MDX          68 ARG  HA          6.00    (#      6:20  Unique         2.42, 5.61 A)
 &rst
  ixpk= 6, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#   71 LEU  MDX          71 LEU  HB+         6.00    (#      7:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 7, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1253,1254,
 &end
#
#   35 ILE  QD1          35 ILE  HB          4.50    (#      8:20  Unique         2.45, 3.11 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 620, 621, 622,
 &end
#
#   31 ILE  QD1          99 TYR  HB+         6.00    (#      9:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 552, 553, 554,
 igr2=1677,1678,
 &end
#
#   35 ILE  QD1          35 ILE  HG1-        4.50    (#     11:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 620, 621, 622,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:12       0 AMB  20-1:12     2.80    (#     12:20  Double Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1171,1172,1173, 552, 553, 554,
 igr2=1168,1169, 549, 550,
 &end
#
#   35 ILE  QD1          35 ILE  HG1+        4.50    (#     13:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 13, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 620, 621, 622,
 igr2= 617, 618,
 &end
#
#   71 LEU  MDX          71 LEU  HG          4.50    (#     14:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 14, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#   67 ILE  QD1           0 AMB  20-1:16     4.50    (#     16:20  Single Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1171,1172,1173,
 igr2=1145,1146,1147, 613, 614, 615,
 &end
#
#    0 AMB  20-2:17      50 THR  HB          3.50    (#     17:20  Single Ambig)
 &rst
  ixpk= 17, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1= 877, 878, 879, 889, 890,
 &end
#
#   91 VAL  MGY          93 THR  HB          3.50    (#     18:20  Unique         2.48, 4.43 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1563,1564,1565,1567,1568,1569,
 &end
#
#   23 ILE  QG2          20 VAL  HA          3.50    (#     19:20  Unique         1.77, 2.36 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 402, 403, 404,
 &end
#
#   20 VAL  MGY          20 VAL  HA          4.50    (#     20:20  Unique         2.38, 3.13 A)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:21      98 VAL  HA          2.80    (#     21:20  Single Ambig)
 &rst
  ixpk= 21, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1663,1664,1665,1667,1668,1669,1663,1664,1665,1667,
      1668,1669,
 &end
#
#   17 VAL  MGX          17 VAL  HA          3.50    (#     22:20  Unique         2.37, 3.13 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 VAL  MGY          17 VAL  HA          3.50    (#     23:20  Unique         2.37, 3.13 A)
 &rst
  ixpk= 23, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   66 ILE  HG1+         66 ILE  HA          3.50    (#     24:20  Unique         2.17, 2.99 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:25      95 ILE  HA          4.50    (#     25:20  Single Ambig)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584,
 &end
#
#   95 ILE  HG1+         95 ILE  HA          6.00    (#     26:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1622,1623,
 &end
#
#   98 VAL  MGY          95 ILE  HA          3.50    (#     27:20  Unique         2.61, 4.25 A)
 &rst
  ixpk= 27, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:28      95 ILE  HA          4.50    (#     28:20  Single Ambig)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584,
 &end
#
#   95 ILE  QD1          95 ILE  HA          6.00    (#     29:20  Unique         1.85, 4.40 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1625,1626,1627,
 &end
#
#   67 ILE  QG2          67 ILE  HA          3.50    (#     30:20  Unique         2.57, 3.53 A)
 &rst
  ixpk= 30, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1164,1165,1166,
 &end
#
#   44 LEU  MDX         115 SER  HB+         6.00    (#     31:20  Unique         1.63, 3.94 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1931,1932,
 &end
#
#    0 AMB  20-2:32      90 SER  HB-         4.50    (#     32:20  Single Ambig)
 &rst
  ixpk= 32, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 igr2=1550,1551,
 &end
#
#    0 AMB  20-2:33       0 AMB  20-1:33     2.80    (#     33:20  Double Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1832,1833,1834,1836,1837,1838, 808, 809, 810, 812,
       813, 814,
 igr2=1675, 804,
 &end
#
#    0 AMB  20-2:34      12 THR  HA          2.80    (#     34:20  Single Ambig)
 &rst
  ixpk= 34, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 210, 211, 212, 127, 128,
 &end
#
#    0 AMB  20-2:35      83 VAL  HA          4.50    (#     35:20  Single Ambig)
 &rst
  ixpk= 35, nxpk= 20, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 &end
#
#    6 THR  MG2           6 THR  HA          3.50    (#     36:20  Unique         2.36, 2.82 A)
 &rst
  ixpk= 36, nxpk= 20, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  89,  90,  91,
 &end
#
#   17 VAL  MGX          14 GLU  HA          6.00    (#     37:20  Unique         3.61, 5.14 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   64 ILE  QG2          65 LYS  HA          6.00    (#     38:20  Unique         2.90, 4.14 A)
 &rst
  ixpk= 38, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1104,1105,1106,
 &end
#
#    0 AMB  20-2:39      38 TYR  HA          3.50    (#     39:20  Single Ambig)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:40      71 LEU  HA          3.50    (#     40:20  Single Ambig)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1253,1254, 853, 854,
 &end
#
#   71 LEU  MDY          71 LEU  HA          2.80    (#     41:20  Unique         1.78, 3.78 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:42      84 ASN  HA          4.50    (#     42:20  Single Ambig)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1432,1433,
 &end
#
#   31 ILE  QD1          31 ILE  HA          3.50    (#     43:20  Unique         1.98, 3.52 A)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 552, 553, 554,
 &end
#
#   44 LEU  MDY          45 PRO  HD+         4.50    (#     46:20  Unique         2.84, 5.39 A)
 &rst
  ixpk= 46, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 789, 790,
 &end
#
#   73 LEU  MDY          45 PRO  HD+         4.50    (#     47:20  Unique         1.52, 5.94 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 789, 790,
 &end
#
#   44 LEU  MDY          45 PRO  HD-         4.50    (#     48:20  Unique         2.84, 5.39 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 789, 790,
 &end
#
#   73 LEU  MDY          45 PRO  HD-         4.50    (#     49:20  Unique         1.52, 5.94 A)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 789, 790,
 &end
#
#   31 ILE  QG2          32 PRO  HD-         4.50    (#     50:20  Unique         2.39, 4.23 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 545, 546, 547,
 igr2= 559, 560,
 &end
#
#    0 AMB  20-2:51       0 AMB  20-1:51     2.80    (#     51:20  Double Ambig)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 igr2=1827,1828,1827,1828,
 &end
#
#    0 AMB  20-2:52       0 AMB  20-1:52     6.00    (#     52:20  Double Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 778, 779, 780, 782, 783, 784, 648, 649,
 igr2= 651, 652, 651, 652,
 &end
#
#   81 LEU  MDY         113 TYR  HB-         4.50    (#     53:20  Unique         1.75, 5.69 A)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1900,1901,
 &end
#
#    0 AMB  20-2:54      52 PHE  HB-         3.50    (#     54:20  Single Ambig)
 &rst
  ixpk= 54, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
       583, 584, 578, 579, 580, 582, 583, 584,
 igr2= 911, 912,
 &end
#
#    0 AMB  20-2:55       0 AMB  20-1:55     3.50    (#     55:20  Double Ambig)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 187, 188, 187, 188,
 igr2= 190, 191, 190, 191,
 &end
#
#   11 ARG  HG-           0 AMB  20-1:56     4.50    (#     56:20  Single Ambig)
 &rst
  ixpk= 56, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 187, 188,
 igr2= 190, 191, 190, 191,
 &end
#
#  103 LYS  HD+         103 LYS  HE+         3.50    (#     57:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 57, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1745,1746,
 igr2=1748,1749,
 &end
#
#  103 LYS  HD-         103 LYS  HE-         3.50    (#     58:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1745,1746,
 igr2=1748,1749,
 &end
#
#  103 LYS  HD+         103 LYS  HE-         3.50    (#     59:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1745,1746,
 igr2=1748,1749,
 &end
#
#    0 AMB  20-2:60       0 AMB  20-1:60     2.80    (#     60:20  Double Ambig)
 &rst
  ixpk= 60, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 856, 857, 856, 857,
 igr2= 862, 863, 862, 863,
 &end
#
#    0 AMB  20-2:61       0 AMB  20-1:61     4.50    (#     61:20  Double Ambig)
 &rst
  ixpk= 61, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2181,2182,2183,2185,2186,2187,1104,1105,1106,
 igr2= 530, 531, 530, 531, 862, 863,1130,1131,1130,1131,
      
 &end
#
#   22 LEU  MDX          22 LEU  HB+         3.50    (#     62:20  Unique         2.32, 3.38 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 381, 382,
 &end
#
#    8 LYS  HD+           8 LYS  HE-         4.50    (#     63:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128,
 igr2= 130, 131,
 &end
#
#    0 AMB  20-2:65       0 AMB  20-1:65     3.50    (#     65:20  Double Ambig)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1088,1089,1090,1092,1093,1094,2212,2213,2214,2216,
      2217,2218,
 igr2=1083,1084,1083,1084,
 &end
#
#    0 AMB  20-2:66       0 AMB  20-1:66     4.50    (#     66:20  Double Ambig)
 &rst
  ixpk= 66, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 igr2= 669, 670, 669, 670,
 &end
#
#   31 ILE  QD1          99 TYR  HB-         6.00    (#     67:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 67, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 552, 553, 554,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:68      84 ASN  HB-         6.00    (#     68:20  Single Ambig)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1467,1468,
 &end
#
#    0 AMB  20-2:69       0 AMB  20-1:69     4.50    (#     69:20  Double Ambig)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.88, r4=10.38,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,1432,1433,
 igr2=1867,1868,1867,1868,1867,1868,1867,1868,
 &end
#
#    0 AMB  20-2:70       0 AMB  20-1:70     3.50    (#     70:20  Double Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 617, 618, 617, 618, 613, 614, 615,
 igr2=1867,1868,1867,1868,1867,1868,
 &end
#
#    0 AMB  20-2:71     112 VAL  HB          2.80    (#     71:20  Single Ambig)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
      1888,1890,1891,1892,
 &end
#
#   44 LEU  MDY          77 GLN  HG+         4.50    (#     72:20  Unique         2.62, 5.92 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1349,1350,
 &end
#
#   73 LEU  MDY          77 GLN  HG+         6.00    (#     73:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1349,1350,
 &end
#
#    0 AMB  20-2:74      83 VAL  HB          2.80    (#     74:20  Single Ambig)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:75       0 AMB  20-1:75     2.80    (#     75:20  Double Ambig)
 &rst
  ixpk= 75, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1870,1871,1870,1871,1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:76      46 VAL  HB          2.80    (#     76:20  Single Ambig)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
       813, 814,
 &end
#
#    0 AMB  20-2:77       0 AMB  20-1:77     2.80    (#     77:20  Double Ambig)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1563,1564,1565,1567,1568,1569,1453,1454,1455,1457,
      1458,1459,
 igr2=1520,1521,1520,1521,1520,1521,
 &end
#
#    0 AMB  20-2:78       0 AMB  20-1:78     6.00    (#     78:20  Double Ambig)
 &rst
  ixpk= 78, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.85, r4=11.35,
 igr1= 509, 510, 511, 187, 188,1622,1623,
 igr2= 496, 497,   8,   9,1010,
 &end
#
#    0 AMB  20-2:79      60 MET  HG-         3.50    (#     79:20  Single Ambig)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,1663,1664,1665,1667,1668,1669,
 igr2=1043,1044,
 &end
#
#    0 AMB  20-2:80       0 AMB  20-1:80     6.00    (#     80:20  Double Ambig)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1289,1290, 778, 779, 780, 782, 783, 784,
 igr2=1346,1347, 756, 757,
 &end
#
#    0 AMB  20-2:81       0 AMB  20-1:81     6.00    (#     81:20  Double Ambig)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 343, 344, 345, 347, 348, 349, 409, 410, 411,
 igr2= 357, 358, 458, 459,
 &end
#
#    0 AMB  20-2:82      60 MET  HB-         4.50    (#     82:20  Single Ambig)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:83      62 GLU  HB-         2.80    (#     83:20  Single Ambig)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
      2217,2218,
 igr2=1068,1069,
 &end
#
#    0 AMB  20-2:84       0 AMB  20-1:84     3.50    (#     84:20  Double Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
      2217,2218,
 igr2=1068,1069,1068,1069,
 &end
#
#   73 LEU  MDY          45 PRO  HG+         4.50    (#     85:20  Unique         1.85, 6.13 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:86       0 AMB  20-1:86     3.50    (#     86:20  Double Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2= 792, 793, 825,
 &end
#
#    0 AMB  20-2:88      60 MET  ME          2.80    (#     88:20  Single Ambig)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,
 igr2=1047,1048,1049,
 &end
#
#   81 LEU  MDX          60 MET  ME          2.80    (#     89:20  Unique         2.65, 5.53 A)
 &rst
  ixpk= 89, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1047,1048,1049,
 &end
#
#   93 THR  MG2          93 THR  HB          2.80    (#     90:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1590,1591,1592,
 &end
#
#    0 AMB  20-2:91      20 VAL  HA          4.50    (#     91:20  Single Ambig)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 341, 565, 566,
 &end
#
#    0 AMB  20-2:92      98 VAL  HA          4.50    (#     92:20  Single Ambig)
 &rst
  ixpk= 92, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1661,1646,1647,1524,1525,1526,
 &end
#
#   16 ARG  HB-          17 VAL  HA          4.50    (#     93:20  Unique         3.78, 4.72 A)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 274, 275,
 &end
#
#    0 AMB  20-2:94      66 ILE  HA          3.50    (#     94:20  Single Ambig)
 &rst
  ixpk= 94, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1143,1205,1206,
 &end
#
#    0 AMB  20-2:95       0 AMB  20-1:95     6.00    (#     95:20  Double Ambig)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1698,1699,1698,1699,1698,1699,1661,1646,1647,
 igr2=1713,1714,1713,1714,1713,1714,1713,1714,1713,1714,
      
 &end
#
#   98 VAL  HB           95 ILE  HA          3.50    (#     96:20  Unique         2.51, 2.83 A)
 &rst
  ixpk= 96, nxpk= 20, iat=1661,1614, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   95 ILE  HB           95 ILE  HA          4.50    (#     97:20  Unique         2.52, 2.58 A)
 &rst
  ixpk= 97, nxpk= 20, iat=1616,1614, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:98      67 ILE  HA          4.50    (#     98:20  Single Ambig)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1229,1230,1229,1230,
 &end
#
#    0 AMB  20-2:99      67 ILE  HA          4.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1162,2176,2177,1232,1233,
 &end
#
#    0 AMB  20-2:100      0 AMB  20-1:100    6.00    (#    100:20  Double Ambig)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 776,1945,1946,
 igr2=1931,1932,1931,1932,
 &end
#
#   78 ALA  MB          115 SER  HB+         6.00    (#    101:20  Unique         1.62, 5.03 A)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1363,1364,1365,
 igr2=1931,1932,
 &end
#
#    0 AMB  20-2:102      0 AMB  20-1:102    4.50    (#    102:20  Double Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.99, r4=10.49,
 igr1= 776,1451,  25,  26,  25,  26,   8,   9,1945,1946,
      
 igr2=1931,1932,1506,1507,1506,1507,  39,  40,  39,  40,
        39,  40,
 &end
#
#    0 AMB  20-2:103      0 AMB  20-1:103    6.00    (#    103:20  Double Ambig)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1010,1517,1518,
 igr2=1008,1057,1058,
 &end
#
#   14 GLU  HB+          14 GLU  HA          4.50    (#    104:20  Unique         2.48, 2.76 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 242, 243,
 &end
#
#    0 AMB  20-2:105     65 LYS  HA          2.80    (#    105:20  Single Ambig)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1121,1122,1121,1122,
 &end
#
#    0 AMB  20-2:106     21 ARG  HA          2.80    (#    106:20  Single Ambig)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 357, 358, 419, 420,
 &end
#
#    0 AMB  20-2:107      0 AMB  20-1:107    2.80    (#    107:20  Double Ambig)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 360, 361, 124, 125, 121, 122, 121, 122,
 igr2= 355, 119,
 &end
#
#    0 AMB  20-2:108      0 AMB  20-1:108    6.00    (#    108:20  Double Ambig)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 127, 128, 360, 361,
 igr2= 119, 355,
 &end
#
#    0 AMB  20-2:109    105 GLU  HA          2.80    (#    109:20  Single Ambig)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1773,1774,1773,1774,
 &end
#
#    0 AMB  20-2:110    100 GLU  HA          2.80    (#    110:20  Single Ambig)
 &rst
  ixpk= 110, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1698,1699,1698,1699,
 &end
#
#    0 AMB  20-2:111     25 GLU  HA          2.80    (#    111:20  Single Ambig)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 441, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 443, 444, 443, 444,
 &end
#
#    0 AMB  20-2:112     15 GLN  HA          2.80    (#    112:20  Single Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 255, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 314, 315, 314, 315,
 &end
#
#    0 AMB  20-2:113     70 ARG  HA          2.80    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1229,1230,1229,1230,
 &end
#
#    0 AMB  20-2:114     38 TYR  HA          6.00    (#    114:20  Single Ambig)
 &rst
  ixpk= 114, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 690, 691, 645, 646,1921,1922,1923,1432,1433,
 &end
#
#    0 AMB  20-2:115     24 ARG  HA          3.50    (#    115:20  Single Ambig)
 &rst
  ixpk= 115, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 422, 423, 419, 420,
 &end
#
#   24 ARG  HG-          24 ARG  HA          4.50    (#    116:20  Unique         2.27, 3.09 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 422, 423,
 &end
#
#    0 AMB  20-2:117     26 GLN  HA          3.50    (#    117:20  Single Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 461, 462, 443, 444, 443, 444,
 &end
#
#    0 AMB  20-2:118      0 AMB  20-1:118    2.80    (#    118:20  Double Ambig)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 458, 459,1143,
 igr2= 456,1081,
 &end
#
#   10 ARG  HB+          10 ARG  HA          6.00    (#    119:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 160, 161,
 &end
#
#    0 AMB  20-2:120     10 ARG  HA          4.50    (#    120:20  Single Ambig)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 163, 164,  65,  66,  65,  66,
 &end
#
#   10 ARG  HB-          10 ARG  HA          4.50    (#    121:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 160, 161,
 &end
#
#   10 ARG  HG-          10 ARG  HA          4.50    (#    122:20  Unique         3.51, 3.72 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 163, 164,
 &end
#
#  117 GLU  HG+         117 GLU  HA          6.00    (#    123:20  Unique         2.15, 3.35 A)
 &rst
  ixpk= 123, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1962,1963,
 &end
#
#    0 AMB  20-2:124      0 AMB  20-1:124    6.00    (#    124:20  Double Ambig)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1108,1109, 381, 382,
 igr2=1391, 327,
 &end
#
#    4 GLU  HG-           4 GLU  HA          4.50    (#    125:20  Unique         2.07, 2.92 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  53,  54,
 &end
#
#    0 AMB  20-2:126      4 GLU  HA          2.80    (#    126:20  Single Ambig)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=  50,  51, 806,
 &end
#
#    0 AMB  20-2:127      4 GLU  HA          3.50    (#    127:20  Single Ambig)
 &rst
  ixpk= 127, nxpk= 20, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  50,  51,   8,   9,
 &end
#
#    0 AMB  20-2:128     72 GLN  HA          2.80    (#    128:20  Single Ambig)
 &rst
  ixpk= 128, nxpk= 20, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1275,1276,1275,1276,1272,1273,
 &end
#
#    0 AMB  20-2:129     71 LEU  HA          4.50    (#    129:20  Single Ambig)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1253,1254, 859, 860, 853, 854,
 &end
#
#   78 ALA  MB           78 ALA  HA          2.80    (#    131:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1363,1364,1365,
 &end
#
#    0 AMB  20-2:132      0 AMB  20-1:132    2.80    (#    132:20  Double Ambig)
 &rst
  ixpk= 132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=1602,1603, 966, 967,1605,1606,2243,2244,1646,1647,
      
 igr2=1599,1600, 963, 964,1599,1600, 963, 964,1599,1600,
      
 &end
#
#   93 THR  MG2          94 PRO  HD+         4.50    (#    133:20  Unique         2.25, 4.24 A)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1590,1591,1592,
 igr2=1599,1600,
 &end
#
#    0 AMB  20-2:134     94 PRO  HD-         2.80    (#    134:20  Single Ambig)
 &rst
  ixpk= 134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1602,1603,1602,1603,1605,1606,1646,1647,
 igr2=1599,1600,
 &end
#
#   93 THR  MG2          94 PRO  HD-         4.50    (#    135:20  Unique         2.25, 4.24 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1590,1591,1592,
 igr2=1599,1600,
 &end
#
#    0 AMB  20-2:136      0 AMB  20-1:136    3.50    (#    136:20  Double Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=  25,  26,  25,  26,
 igr2=  22,  23,  22,  23,
 &end
#
#    0 AMB  20-2:137      0 AMB  20-1:137    4.50    (#    137:20  Double Ambig)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 792, 793,1346,1347,
 igr2= 789, 790, 789, 790,
 &end
#
#    0 AMB  20-2:138     45 PRO  HD-         4.50    (#    138:20  Single Ambig)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 792, 793,1346,1347,
 igr2= 789, 790,
 &end
#
#   45 PRO  HG-          45 PRO  HD-         3.50    (#    139:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 792, 793,
 igr2= 789, 790,
 &end
#
#   44 LEU  HB-          45 PRO  HD-         4.50    (#    140:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 773, 774,
 igr2= 789, 790,
 &end
#
#   28 PRO  HB-          28 PRO  HD+         4.50    (#    141:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 496, 497,
 igr2= 490, 491,
 &end
#
#    0 AMB  20-2:142      0 AMB  20-1:142    3.50    (#    142:20  Double Ambig)
 &rst
  ixpk= 142, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 493, 494, 493, 494,
 igr2= 490, 491, 490, 491,
 &end
#
#    0 AMB  20-2:143     32 PRO  HD-         6.00    (#    143:20  Single Ambig)
 &rst
  ixpk= 143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 562, 563, 422, 423,
 igr2= 559, 560,
 &end
#
#   28 PRO  HB-          28 PRO  HD-         3.50    (#    144:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 496, 497,
 igr2= 490, 491,
 &end
#
#    0 AMB  20-2:145     28 PRO  HD-         4.50    (#    145:20  Single Ambig)
 &rst
  ixpk= 145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 493, 494, 493, 494,
 igr2= 490, 491,
 &end
#
#   37 ARG  HG+          37 ARG  HD+         4.50    (#    146:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 648, 649,
 igr2= 651, 652,
 &end
#
#   37 ARG  HB+          37 ARG  HD-         4.50    (#    147:20  Unique         2.02, 3.13 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 645, 646,
 igr2= 651, 652,
 &end
#
#   21 ARG  HB-          21 ARG  HD+         4.50    (#    148:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 357, 358,
 igr2= 363, 364,
 &end
#
#   21 ARG  HG-          21 ARG  HD+         4.50    (#    149:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 360, 361,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    2.80    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 740, 741, 740, 741, 740, 741,
 igr2= 743, 744, 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:151      0 AMB  20-1:151    6.00    (#    151:20  Double Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1253,1254,1416,
 igr2=1373,1374,1373,1374,
 &end
#
#    0 AMB  20-2:153      0 AMB  20-1:153    4.50    (#    153:20  Double Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1921,1922,1923,1432,1433,
 igr2= 669, 670, 669, 670,
 &end
#
#    0 AMB  20-2:154     38 TYR  HB-         6.00    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1921,1922,1923,1432,1433,
 igr2= 669, 670,
 &end
#
#   88 MET  HB-           0 AMB  20-1:155    2.80    (#    155:20  Single Ambig)
 &rst
  ixpk= 155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1517,1518,
 igr2=1043,1044,1043,1044,
 &end
#
#   94 PRO  HB+          94 PRO  HA          4.50    (#    156:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 156, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1605,1606,
 &end
#
#   13 PHE  HB-          13 PHE  HA          6.00    (#    157:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#    0 AMB  20-2:158     16 ARG  HA          6.00    (#    158:20  Single Ambig)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 329, 330, 329, 330,
 &end
#
#    0 AMB  20-2:159      0 AMB  20-1:159    6.00    (#    159:20  Double Ambig)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 980, 981, 980, 981, 980, 981,
 igr2=1635,1636,1635,1636,1633,
 &end
#
#   14 GLU  HG+          14 GLU  HA          6.00    (#    160:20  Unique         2.31, 2.96 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 245, 246,
 &end
#
#   14 GLU  HG-          14 GLU  HA          4.50    (#    161:20  Unique         2.31, 2.96 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 245, 246,
 &end
#
#    0 AMB  20-2:162    105 GLU  HA          4.50    (#    162:20  Single Ambig)
 &rst
  ixpk= 162, nxpk= 20, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1776,1777,1776,1777,
 &end
#
#  103 LYS  HE+         100 GLU  HA          4.50    (#    163:20  Unique         2.90, 5.19 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1748,1749,
 &end
#
#    0 AMB  20-2:164    100 GLU  HA          4.50    (#    164:20  Single Ambig)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1701,1702,1701,1702,
 &end
#
#    0 AMB  20-2:165      0 AMB  20-1:165    2.80    (#    165:20  Double Ambig)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 446, 447, 257, 258,
 igr2= 441, 255,
 &end
#
#   68 ARG  HA           70 ARG  HA          8.00    (#    167:20  Unique         6.56, 6.80 A)
 &rst
  ixpk= 167, nxpk= 20, iat=1179,1227, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   38 TYR  HB-          38 TYR  HA          4.50    (#    168:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 669, 670,
 &end
#
#  119 PHE  HB+         119 PHE  HA          3.50    (#    169:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1988,1989,
 &end
#
#    0 AMB  20-2:170      0 AMB  20-1:170    4.50    (#    170:20  Double Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1393,1394,2089,2090,2101,2102,
 igr2=1391, 327,
 &end
#
#  119 PHE  HB-         119 PHE  HA          4.50    (#    171:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 171, nxpk= 20, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1988,1989,
 &end
#
#   80 PHE  HB-          80 PHE  HA          6.00    (#    172:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1393,1394,
 &end
#
#    0 AMB  20-2:173     41 GLU  HA          3.50    (#    173:20  Single Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 719, 720, 722, 723,
 &end
#
#   32 PRO  HD-          31 ILE  HA          4.50    (#    174:20  Unique         1.91, 2.15 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 559, 560,
 &end
#
#   32 PRO  HG+          32 PRO  HD-         6.00    (#    177:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 562, 563,
 igr2= 559, 560,
 &end
#
#    0 AMB  20-2:178     28 PRO  HD-         6.00    (#    178:20  Single Ambig)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 496, 497, 446, 447,
 igr2= 490, 491,
 &end
#
#   63 LEU  HG           63 LEU  HB+         4.50    (#    180:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   73 LEU  HB+          77 GLN  HG+         6.00    (#    181:20  Unique         1.93, 3.84 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1289,1290,
 igr2=1349,1350,
 &end
#
#   93 THR  MG2          97 GLU  HB-         3.50    (#    182:20  Unique         2.31, 4.23 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1590,1591,1592,
 igr2=1646,1647,
 &end
#
#    0 AMB  20-2:183      0 AMB  20-1:183    3.50    (#    183:20  Double Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1432,1433,1432,1433,
 &end
#
#    0 AMB  20-2:184      0 AMB  20-1:184    4.50    (#    184:20  Double Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
      1263,1264,
 igr2=1253,1254,1253,1254,
 &end
#
#    0 AMB  20-2:185     71 LEU  HB-         4.50    (#    185:20  Single Ambig)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
      1263,1264,
 igr2=1253,1254,
 &end
#
#    0 AMB  20-2:186     63 LEU  HB-         2.80    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1088,1089,1090,1092,1093,1094,2212,2213,2214,2216,
      2217,2218,
 igr2=1083,1084,
 &end
#
#   31 ILE  QG2          31 ILE  HB          3.50    (#    187:20  Unique         2.44, 2.65 A)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 545, 546, 547,
 &end
#
#   34 ILE  QG2          34 ILE  HB          6.00    (#    188:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 594, 595, 596,
 &end
#
#   17 VAL  MGX          17 VAL  HB          2.80    (#    189:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 VAL  MGY          17 VAL  HB          3.50    (#    190:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   20 VAL  MGY           0 AMB  20-1:191    3.50    (#    191:20  Single Ambig)
 &rst
  ixpk= 191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 565, 566, 341,
 &end
#
#    0 AMB  20-2:194      0 AMB  20-1:194    3.50    (#    194:20  Double Ambig)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 343, 344, 345, 347, 348, 349,1152,1153,1154,
 igr2= 562, 563,1232,1233, 422, 423,
 &end
#
#   71 LEU  MDY          71 LEU  HG          3.50    (#    195:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#   73 LEU  MDY          73 LEU  HG          4.50    (#    196:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:197    114 ALA  MB          4.50    (#    197:20  Single Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1921,1922,1923,
 &end
#
#  131 VAL  MGY           0 AMB  20-1:198    6.00    (#    198:20  Single Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=2162,2163,2164,2166,2167,2168,
 igr2= 856, 857, 856, 857,
 &end
#
#   31 ILE  QG2         111 MET  ME          6.00    (#    200:20  Unique         5.42, 7.37 A)
 &rst
  ixpk= 200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 545, 546, 547,
 igr2=1874,1875,1876,
 &end
#
#    0 AMB  20-2:201    111 MET  ME          2.80    (#    201:20  Single Ambig)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1874,1875,1876,
 &end
#
#    0 AMB  20-2:202      0 AMB  20-1:202    3.50    (#    202:20  Double Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 igr2=1413,1414,1413,1414,
 &end
#
#   22 LEU  MDY          22 LEU  HB-         2.80    (#    205:20  Unique         2.32, 3.38 A)
 &rst
  ixpk= 205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 381, 382,
 &end
#
#  109 LEU  MDY         102 GLU  HB-         2.80    (#    208:20  Unique         1.61, 4.03 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1724,1725,
 &end
#
#   81 LEU  MDY          35 ILE  HG1-        2.80    (#    209:20  Unique         2.13, 5.10 A)
 &rst
  ixpk= 209, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2= 617, 618,
 &end
#
#   22 LEU  MDX          22 LEU  HG          2.80    (#    211:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 211, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:212    114 ALA  MB          6.00    (#    212:20  Single Ambig)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
      1888,1890,1891,1892,
 igr2=1921,1922,1923,
 &end
#
#   63 LEU  MDY         111 MET  ME          2.80    (#    213:20  Unique         1.99, 4.87 A)
 &rst
  ixpk= 213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2=1874,1875,1876,
 &end
#
#   44 LEU  MDX          44 LEU  HB+         4.50    (#    214:20  Unique         2.32, 3.26 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 773, 774,
 &end
#
#   98 VAL  MGY          95 ILE  HB          4.50    (#    215:20  Unique         5.05, 6.33 A)
 &rst
  ixpk= 215, nxpk= 20, iat=  -1,1616, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#  117 GLU  HB-         117 GLU  HG+         4.50    (#    216:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1959,1960,
 igr2=1962,1963,
 &end
#
#   95 ILE  HG1+        111 MET  ME          6.00    (#    217:20  Unique         2.71, 4.21 A)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1622,1623,
 igr2=1874,1875,1876,
 &end
#
#   32 PRO  HD+          31 ILE  HA          3.50    (#    218:20  Unique         1.91, 2.15 A)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 559, 560,
 &end
#
#   94 PRO  HD+          93 THR  HA          6.00    (#    221:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 221, nxpk= 20, iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1599,1600,
 &end
#
#   63 LEU  HA           63 LEU  HB-         6.00    (#    223:20  Unique         2.29, 2.51 A)
 &rst
  ixpk= 223, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1083,1084,
 &end
#
#    0 AMB  20-2:226      0 AMB  20-1:226    4.50    (#    226:20  Double Ambig)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1373,1374,1187,1188,1748,1749,
 igr2=1184,1185,1745,1746,
 &end
#
#   66 ILE  HA           66 ILE  HG1+        6.00    (#    227:20  Unique         2.17, 2.99 A)
 &rst
  ixpk= 227, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:228      0 AMB  20-1:228    4.50    (#    228:20  Double Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1143,1205,1206,
 igr2=1149,1150,1149,1150,
 &end
#
#    0 AMB  20-2:229     44 LEU  MDX         6.00    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 759, 760,1900,1901,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   44 LEU  HG           44 LEU  MDX         4.50    (#    230:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 230, nxpk= 20, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   63 LEU  HA           63 LEU  MDX         6.00    (#    231:20  Unique         1.74, 4.55 A)
 &rst
  ixpk= 231, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   63 LEU  HB+          63 LEU  MDX         4.50    (#    232:20  Unique         2.32, 3.24 A)
 &rst
  ixpk= 232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1083,1084,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   60 MET  ME           63 LEU  MDX         3.50    (#    233:20  Unique         1.86, 4.48 A)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1047,1048,1049,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:235      0 AMB  20-1:235    4.50    (#    235:20  Double Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 190, 191, 190, 191,
 igr2= 187, 188, 187, 188,
 &end
#
#   68 ARG  HA           73 LEU  MDX         6.00    (#    236:20  Unique         2.15, 5.88 A)
 &rst
  ixpk= 236, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:237     73 LEU  MDX         6.00    (#    237:20  Single Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1373,1374,1187,1188,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#  113 TYR  HB-          81 LEU  MDX         6.00    (#    238:20  Unique         1.75, 5.69 A)
 &rst
  ixpk= 238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1900,1901,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:239     81 LEU  MDX         2.80    (#    239:20  Single Ambig)
 &rst
  ixpk= 239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1867,1868,1867,1868,1047,1048,1049,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:240      0 AMB  20-1:240    4.50    (#    240:20  Double Ambig)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=  74,  75,  74,  75,1130,1131,1130,1131,
 igr2=  68,  69,1124,1125,
 &end
#
#    0 AMB  20-2:241     22 LEU  MDX         2.80    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 314, 315, 314, 315,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   22 LEU  HB+          22 LEU  MDX         2.80    (#    242:20  Unique         2.32, 3.38 A)
 &rst
  ixpk= 242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 381, 382,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:243      0 AMB  20-1:243    6.00    (#    243:20  Double Ambig)
 &rst
  ixpk= 243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1=1900,1901, 841, 842,
 igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
       832, 833, 827, 828, 829, 831, 832, 833,
 &end
#
#    0 AMB  20-2:244      0 AMB  20-1:244    3.50    (#    244:20  Double Ambig)
 &rst
  ixpk= 244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1= 862, 863, 862, 863, 862, 863, 651, 652,
 igr2= 856, 857, 856, 857, 856, 857, 778, 779, 780, 782,
       783, 784,
 &end
#
#   43 GLN  HB-          44 LEU  MDY         6.00    (#    245:20  Unique         2.92, 5.59 A)
 &rst
  ixpk= 245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 756, 757,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:246     71 LEU  MDY         2.80    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 825, 822, 823,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#  106 ASP  HB+          17 VAL  MGY         6.00    (#    247:20  Unique         1.85, 5.24 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1788,1789,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 VAL  HA           17 VAL  MGY         2.80    (#    248:20  Unique         2.37, 3.13 A)
 &rst
  ixpk= 248, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   50 THR  HB           50 THR  MG2         4.50    (#    249:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 249, nxpk= 20, iat= 875,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 877, 878, 879,
 &end
#
#  103 LYS  HE-           0 AMB  20-1:250    4.50    (#    250:20  Single Ambig)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1748,1749,
 igr2=1742,1743,1742,1743,
 &end
#
#   98 VAL  HA           98 VAL  MGY         2.80    (#    251:20  Unique         2.45, 3.12 A)
 &rst
  ixpk= 251, nxpk= 20, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:252     98 VAL  MGY         2.80    (#    252:20  Single Ambig)
 &rst
  ixpk= 252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1661,1524,1525,1526,1646,1647,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:254     98 VAL  MGY         2.80    (#    254:20  Single Ambig)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1043,1044,1043,1044,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   38 TYR  HB+         112 VAL  MGY         4.50    (#    255:20  Unique         2.44, 4.42 A)
 &rst
  ixpk= 255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 669, 670,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#    0 AMB  20-2:256      6 THR  MG2         6.00    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 633, 634, 633, 634,
 igr2=  89,  90,  91,
 &end
#
#    0 AMB  20-2:257      0 AMB  20-1:257    2.80    (#    257:20  Double Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1659,1588,
 igr2=1663,1664,1665,1667,1668,1669,1563,1564,1565,1567,
      1568,1569,
 &end
#
#    0 AMB  20-2:258      0 AMB  20-1:258    2.80    (#    258:20  Double Ambig)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1524,1525,1526,1517,1518,1661,
 igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,
 &end
#
#    0 AMB  20-2:260      0 AMB  20-1:260    2.80    (#    260:20  Double Ambig)
 &rst
  ixpk= 260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1727,1728,1724,1725,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#  107 GLY  HA-          20 VAL  MGY         4.50    (#    261:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1798,1799,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   32 PRO  HG+          20 VAL  MGY         6.00    (#    262:20  Unique         1.60, 4.04 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 562, 563,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:263     20 VAL  MGY         6.00    (#    263:20  Single Ambig)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 419, 420, 357, 358,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  107 GLY  HA-          20 VAL  MGX         6.00    (#    264:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1798,1799,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:265     20 VAL  MGX         3.50    (#    265:20  Single Ambig)
 &rst
  ixpk= 265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 339, 329, 330, 329, 330,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   32 PRO  HG+          20 VAL  MGX         6.00    (#    266:20  Unique         1.60, 4.04 A)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 562, 563,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:267      0 AMB  20-1:267    2.80    (#    267:20  Double Ambig)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1040,1041,1727,1728,1561,1724,1725,
 igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,
 &end
#
#    0 AMB  20-2:268     58 VAL  MGY         2.80    (#    268:20  Single Ambig)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1008,1081,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   58 VAL  HB           58 VAL  MGY         2.80    (#    269:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 269, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   28 PRO  HB+          29 THR  MG2         6.00    (#    271:20  Unique         3.87, 5.65 A)
 &rst
  ixpk= 271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 496, 497,
 igr2= 509, 510, 511,
 &end
#
#   28 PRO  HB-          29 THR  MG2         4.50    (#    272:20  Unique         3.87, 5.65 A)
 &rst
  ixpk= 272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 496, 497,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  20-2:273     29 THR  MG2         4.50    (#    273:20  Single Ambig)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 493, 494, 493, 494,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  20-2:275      0 AMB  20-1:275    2.80    (#    275:20  Double Ambig)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1083,1084, 806,
 igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
       813, 814,
 &end
#
#   89 VAL  HB            0 AMB  20-1:276    2.80    (#    276:20  Single Ambig)
 &rst
  ixpk= 276, nxpk= 20, iat=1534,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   17 VAL  HA           17 VAL  MGX         2.80    (#    277:20  Unique         2.37, 3.13 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   46 VAL  HB           46 VAL  MGX         2.80    (#    278:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 278, nxpk= 20, iat= 806,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#    0 AMB  20-2:279     91 VAL  MGX         4.50    (#    279:20  Single Ambig)
 &rst
  ixpk= 279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1524,1525,1526,1517,1518,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:280     91 VAL  MGX         2.80    (#    280:20  Single Ambig)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1040,1041,1561,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:284     75 ALA  MB          6.00    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1308,1309,1332,1333,1332,1333,
 igr2=1322,1323,1324,
 &end
#
#   67 ILE  HA           67 ILE  QG2         4.50    (#    285:20  Unique         2.57, 3.53 A)
 &rst
  ixpk= 285, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1164,1165,1166,
 &end
#
#   56 ASP  HA           95 ILE  QG2         3.50    (#    286:20  Unique         2.68, 3.45 A)
 &rst
  ixpk= 286, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1618,1619,1620,
 &end
#
#   64 ILE  HA           64 ILE  QG2         4.50    (#    287:20  Unique         2.54, 3.30 A)
 &rst
  ixpk= 287, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1104,1105,1106,
 &end
#
#   68 ARG  HD+          64 ILE  QG2         6.00    (#    288:20  Unique         3.65, 6.62 A)
 &rst
  ixpk= 288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1187,1188,
 igr2=1104,1105,1106,
 &end
#
#    0 AMB  20-2:289     64 ILE  QG2         2.80    (#    289:20  Single Ambig)
 &rst
  ixpk= 289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1102,1121,1122,
 igr2=1104,1105,1106,
 &end
#
#    0 AMB  20-2:290     31 ILE  QG2         6.00    (#    290:20  Single Ambig)
 &rst
  ixpk= 290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 559, 560,1807,1808,
 igr2= 545, 546, 547,
 &end
#
#   32 PRO  HD-          31 ILE  QG2         6.00    (#    291:20  Unique         2.39, 4.23 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 559, 560,
 igr2= 545, 546, 547,
 &end
#
#   99 TYR  HB+          31 ILE  QG2         6.00    (#    292:20  Unique         1.86, 3.43 A)
 &rst
  ixpk= 292, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1677,1678,
 igr2= 545, 546, 547,
 &end
#
#   99 TYR  HB-          31 ILE  QG2         6.00    (#    293:20  Unique         1.86, 3.43 A)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1677,1678,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:295     34 ILE  QG2         4.50    (#    295:20  Single Ambig)
 &rst
  ixpk= 295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 633, 634, 633, 634,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  20-2:297     95 ILE  QD1         3.50    (#    297:20  Single Ambig)
 &rst
  ixpk= 297, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 950,1047,1048,1049,
 igr2=1625,1626,1627,
 &end
#
#   64 ILE  HA           64 ILE  QD1         6.00    (#    298:20  Unique         3.15, 4.51 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1111,1112,1113,
 &end
#
#   88 MET  HB+          64 ILE  QD1         6.00    (#    299:20  Unique         2.14, 4.63 A)
 &rst
  ixpk= 299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1517,1518,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:300     64 ILE  QD1         2.80    (#    300:20  Single Ambig)
 &rst
  ixpk= 300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1047,1048,1049,1102,1108,1109,
 igr2=1111,1112,1113,
 &end
#
#   66 ILE  HB           66 ILE  QD1         3.50    (#    301:20  Unique         2.42, 3.79 A)
 &rst
  ixpk= 301, nxpk= 20, iat=1143,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1152,1153,1154,
 &end
#
#   66 ILE  HA           66 ILE  QD1         6.00    (#    302:20  Unique         3.31, 4.27 A)
 &rst
  ixpk= 302, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1152,1153,1154,
 &end
#
#   99 TYR  HB+          31 ILE  QD1         6.00    (#    303:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1677,1678,
 igr2= 552, 553, 554,
 &end
#
#   99 TYR  HB-          31 ILE  QD1         6.00    (#    304:20  Unique         1.94, 3.99 A)
 &rst
  ixpk= 304, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1677,1678,
 igr2= 552, 553, 554,
 &end
#
#   56 ASP  HB+          31 ILE  QD1         6.00    (#    305:20  Unique         2.46, 4.55 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 980, 981,
 igr2= 552, 553, 554,
 &end
#
#   56 ASP  HB-          31 ILE  QD1         6.00    (#    306:20  Unique         2.46, 4.55 A)
 &rst
  ixpk= 306, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 980, 981,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:307     82 LEU  HB-         6.00    (#    307:20  Single Ambig)
 &rst
  ixpk= 307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1477,1447,
 igr2=1432,1433,
 &end
#
#   82 LEU  HA           82 LEU  HB-         6.00    (#    308:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 308, nxpk= 20, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#   71 LEU  HA           71 LEU  HB-         6.00    (#    309:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 309, nxpk= 20, iat=1251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   73 LEU  HA           73 LEU  HB+         6.00    (#    310:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 310, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   73 LEU  HN           73 LEU  HB-         6.00    (#    311:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 311, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   64 ILE  HN           63 LEU  HB-         4.50    (#    312:20  Unique         2.31, 3.58 A)
 &rst
  ixpk= 312, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   49 LYS  HA           49 LYS  HB-         6.00    (#    313:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:314     44 LEU  MDX         6.00    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1919, 771,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   79 PHE  HE           71 LEU  MDX         4.50    (#    315:20  Unique         1.95, 6.77 A)
 &rst
  ixpk= 315, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1379,1383,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   99 TYR  HD          109 LEU  MDX         6.00    (#    316:20  Unique         2.20, 5.71 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1681,1690,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HA          109 LEU  MDX         6.00    (#    317:20  Unique         1.60, 3.34 A)
 &rst
  ixpk= 317, nxpk= 20, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   71 LEU  HN           71 LEU  HG          6.00    (#    318:20  Unique         1.93, 2.61 A)
 &rst
  ixpk= 318, nxpk= 20, iat=1249,1256, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 PHE  HD           73 LEU  MDX         6.00    (#    319:20  Unique         1.80, 5.19 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1377,1385,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   81 LEU  HA           81 LEU  MDX         6.00    (#    320:20  Unique         1.80, 3.69 A)
 &rst
  ixpk= 320, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    5 LYS  HA            5 LYS  HG-         6.00    (#    321:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#   19 ASP  HA           22 LEU  MDX         6.00    (#    322:20  Unique         1.72, 3.53 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:324      0 AMB  20-1:324    4.50    (#    324:20  Double Ambig)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1904,1913,1280,1281,
 igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
       832, 833, 827, 828, 829, 831, 832, 833,
 &end
#
#   82 LEU  HN            0 AMB  20-1:327    6.00    (#    327:20  Single Ambig)
 &rst
  ixpk= 327, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   49 LYS  HA            0 AMB  20-1:329    4.50    (#    329:20  Single Ambig)
 &rst
  ixpk= 329, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 856, 857, 856, 857,
 &end
#
#   63 LEU  HA           63 LEU  MDY         2.80    (#    330:20  Unique         1.74, 4.55 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:331     71 LEU  MDY         6.00    (#    331:20  Single Ambig)
 &rst
  ixpk= 331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1249,1268,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   47 LEU  HA           71 LEU  MDY         6.00    (#    332:20  Unique         4.44, 6.93 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   71 LEU  HA           71 LEU  MDY         2.80    (#    333:20  Unique         1.78, 3.78 A)
 &rst
  ixpk= 333, nxpk= 20, iat=1251,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:334     33 VAL  MGY         3.50    (#    334:20  Single Ambig)
 &rst
  ixpk= 334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 574, 568,
 igr2= 578, 579, 580, 582, 583, 584,
 &end
#
#   17 VAL  HN           17 VAL  MGY         4.50    (#    335:20  Unique         2.16, 3.89 A)
 &rst
  ixpk= 335, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   18 GLU  HN           17 VAL  MGY         6.00    (#    336:20  Unique         2.49, 4.22 A)
 &rst
  ixpk= 336, nxpk= 20, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   13 PHE  HE           17 VAL  MGY         4.50    (#    337:20  Unique         2.03, 6.32 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 228, 232,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:338     17 VAL  MGY         3.50    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 312,1786,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   13 PHE  HA           17 VAL  MGY         6.00    (#    339:20  Unique         2.77, 5.64 A)
 &rst
  ixpk= 339, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:340     50 THR  MG2         4.50    (#    340:20  Single Ambig)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 628,   6,
 igr2= 877, 878, 879,
 &end
#
#   34 ILE  HN            0 AMB  20-1:341    6.00    (#    341:20  Single Ambig)
 &rst
  ixpk= 341, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#   74 ASN  HN           73 LEU  MDY         6.00    (#    343:20  Unique         3.48, 5.67 A)
 &rst
  ixpk= 343, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   73 LEU  HN           73 LEU  MDY         6.00    (#    344:20  Unique         1.62, 4.32 A)
 &rst
  ixpk= 344, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   44 LEU  HA           73 LEU  MDY         6.00    (#    345:20  Unique         2.57, 6.28 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:346      0 AMB  20-1:346    3.50    (#    346:20  Double Ambig)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1287,2238,
 igr2=1294,1295,1296,1298,1299,1300,1012,1013,1014,1016,
      1017,1018,
 &end
#
#   99 TYR  HN           98 VAL  MGY         6.00    (#    348:20  Unique         3.26, 4.53 A)
 &rst
  ixpk= 348, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:349     98 VAL  MGY         3.50    (#    349:20  Single Ambig)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1614,1713,1714,1713,1714,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   13 PHE  HN           12 THR  MG2         6.00    (#    350:20  Unique         3.41, 4.09 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HN           12 THR  MG2         3.50    (#    351:20  Unique         2.47, 3.70 A)
 &rst
  ixpk= 351, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HB           12 THR  MG2         2.80    (#    352:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 352, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 210, 211, 212,
 &end
#
#   12 THR  HA           12 THR  MG2         3.50    (#    353:20  Unique         2.37, 2.95 A)
 &rst
  ixpk= 353, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 210, 211, 212,
 &end
#
#   38 TYR  HD          112 VAL  MGY         6.00    (#    354:20  Unique         4.27, 6.42 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 673, 682,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#    7 PHE  HN            6 THR  MG2         6.00    (#    355:20  Unique         1.69, 2.97 A)
 &rst
  ixpk= 355, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  89,  90,  91,
 &end
#
#    6 THR  HA            6 THR  MG2         3.50    (#    356:20  Unique         2.36, 2.82 A)
 &rst
  ixpk= 356, nxpk= 20, iat=  85,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  89,  90,  91,
 &end
#
#   85 GLY  HN          112 VAL  MGY         4.50    (#    357:20  Unique         1.77, 3.74 A)
 &rst
  ixpk= 357, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#  112 VAL  HA          112 VAL  MGY         4.50    (#    358:20  Unique         2.35, 3.44 A)
 &rst
  ixpk= 358, nxpk= 20, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#    0 AMB  20-2:359     98 VAL  MGX         3.50    (#    359:20  Single Ambig)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1614,1713,1714,1713,1714,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   83 VAL  HN            0 AMB  20-1:360    3.50    (#    360:20  Single Ambig)
 &rst
  ixpk= 360, nxpk= 20, iat=1447,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   84 ASN  HN            0 AMB  20-1:361    4.50    (#    361:20  Single Ambig)
 &rst
  ixpk= 361, nxpk= 20, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  20-2:362      0 AMB  20-1:362    6.00    (#    362:20  Double Ambig)
 &rst
  ixpk= 362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
 igr1=1472,1473,1472,1473,1720,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   20 VAL  HN           20 VAL  MGY         6.00    (#    363:20  Unique         2.09, 3.89 A)
 &rst
  ixpk= 363, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:364     20 VAL  MGX         6.00    (#    364:20  Single Ambig)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 325,1823,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   20 VAL  HN           20 VAL  MGX         3.50    (#    365:20  Unique         2.09, 3.89 A)
 &rst
  ixpk= 365, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  108 PHE  HD           20 VAL  MGX         6.00    (#    367:20  Unique         1.62, 5.19 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1811,1819,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  107 GLY  HA+          20 VAL  MGX         6.00    (#    368:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1798,1799,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:369     91 VAL  MGY         4.50    (#    369:20  Single Ambig)
 &rst
  ixpk= 369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1557,1036,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   59 ASN  HN           58 VAL  MGY         4.50    (#    370:20  Unique         2.44, 3.76 A)
 &rst
  ixpk= 370, nxpk= 20, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   64 ILE  HN           58 VAL  MGY         6.00    (#    371:20  Unique         4.88, 6.50 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   29 THR  HN           29 THR  MG2         6.00    (#    372:20  Unique         2.31, 3.56 A)
 &rst
  ixpk= 372, nxpk= 20, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 509, 510, 511,
 &end
#
#   29 THR  HA           29 THR  MG2         3.50    (#    373:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 373, nxpk= 20, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  20-2:374      0 AMB  20-1:374    2.80    (#    374:20  Double Ambig)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1479,1480, 804,
 igr2=1886,1887,1888,1890,1891,1892, 808, 809, 810, 812,
       813, 814,
 &end
#
#   90 SER  HN            0 AMB  20-1:375    4.50    (#    375:20  Single Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:376      0 AMB  20-1:376    2.80    (#    376:20  Double Ambig)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1530,1409,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:377      0 AMB  20-1:377    6.00    (#    377:20  Double Ambig)
 &rst
  ixpk= 377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1391,1504,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:378      0 AMB  20-1:378    2.80    (#    378:20  Double Ambig)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1532,1550,1551,1550,1551,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   17 VAL  HN           17 VAL  MGX         6.00    (#    380:20  Unique         2.16, 3.89 A)
 &rst
  ixpk= 380, nxpk= 20, iat= 294,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:381     17 VAL  MGX         6.00    (#    381:20  Single Ambig)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 312,1786,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   46 VAL  HN           46 VAL  MGX         3.50    (#    382:20  Unique         1.70, 3.57 A)
 &rst
  ixpk= 382, nxpk= 20, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   45 PRO  HA           46 VAL  MGX         6.00    (#    383:20  Unique         3.50, 5.51 A)
 &rst
  ixpk= 383, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   46 VAL  HA           46 VAL  MGX         4.50    (#    384:20  Unique         2.38, 3.42 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 804,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   92 SER  HN           91 VAL  MGX         6.00    (#    385:20  Unique         1.72, 3.56 A)
 &rst
  ixpk= 385, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:386     91 VAL  MGX         4.50    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1557,1036,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   88 MET  HA           91 VAL  MGX         6.00    (#    387:20  Unique         3.87, 5.51 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   90 SER  HA           91 VAL  MGX         6.00    (#    388:20  Unique         3.69, 5.99 A)
 &rst
  ixpk= 388, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   75 ALA  HA           75 ALA  MB          2.80    (#    391:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 391, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1322,1323,1324,
 &end
#
#   95 ILE  HN           95 ILE  QG2         3.50    (#    392:20  Unique         2.16, 3.36 A)
 &rst
  ixpk= 392, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1618,1619,1620,
 &end
#
#   96 SER  HN           95 ILE  QG2         4.50    (#    393:20  Unique         2.45, 3.34 A)
 &rst
  ixpk= 393, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1618,1619,1620,
 &end
#
#  100 GLU  HN           95 ILE  QG2         8.00    (#    394:20  Unique         5.96, 7.33 A)
 &rst
  ixpk= 394, nxpk= 20, iat=1694,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:395     95 ILE  QG2         3.50    (#    395:20  Single Ambig)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1633,1614,1635,1636,1635,1636,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:396     64 ILE  QG2         4.50    (#    396:20  Single Ambig)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1098,1177,1158,
 igr2=1104,1105,1106,
 &end
#
#   79 PHE  HD           64 ILE  QG2         4.50    (#    397:20  Unique         2.69, 6.36 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1377,1385,
 igr2=1104,1105,1106,
 &end
#
#   79 PHE  HE           64 ILE  QG2         6.00    (#    398:20  Unique         1.71, 5.16 A)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1379,1383,
 igr2=1104,1105,1106,
 &end
#
#   31 ILE  HN           31 ILE  QG2         6.00    (#    399:20  Unique         4.08, 4.73 A)
 &rst
  ixpk= 399, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:400     31 ILE  QG2         4.50    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1681,1690,1811,1819,
 igr2= 545, 546, 547,
 &end
#
#   31 ILE  HA           31 ILE  QG2         4.50    (#    401:20  Unique         2.48, 3.16 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:402     31 ILE  QG2         6.00    (#    402:20  Single Ambig)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1633,1675,1614,1635,1636,
 igr2= 545, 546, 547,
 &end
#
#   35 ILE  HN           34 ILE  QG2         6.00    (#    403:20  Unique         2.25, 3.81 A)
 &rst
  ixpk= 403, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 594, 595, 596,
 &end
#
#  110 TYR  HD           34 ILE  QG2         4.50    (#    404:20  Unique         3.69, 6.41 A)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1850,1859,
 igr2= 594, 595, 596,
 &end
#
#    7 PHE  HD           34 ILE  QG2         6.00    (#    405:20  Unique         2.18, 5.38 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 105, 113,
 igr2= 594, 595, 596,
 &end
#
#   34 ILE  HA           34 ILE  QG2         4.50    (#    406:20  Unique         2.38, 3.08 A)
 &rst
  ixpk= 406, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 594, 595, 596,
 &end
#
#   95 ILE  HA           95 ILE  QD1         4.50    (#    407:20  Unique         1.85, 4.40 A)
 &rst
  ixpk= 407, nxpk= 20, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1625,1626,1627,
 &end
#
#   64 ILE  HN           64 ILE  QD1         4.50    (#    408:20  Unique         2.67, 4.21 A)
 &rst
  ixpk= 408, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1111,1112,1113,
 &end
#
#   61 SER  HA           64 ILE  QD1         3.50    (#    409:20  Unique         2.01, 3.64 A)
 &rst
  ixpk= 409, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1111,1112,1113,
 &end
#
#   66 ILE  HN           66 ILE  QD1         6.00    (#    410:20  Unique         4.19, 5.15 A)
 &rst
  ixpk= 410, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1152,1153,1154,
 &end
#
#   63 LEU  HA           66 ILE  QD1         4.50    (#    411:20  Unique         2.77, 4.89 A)
 &rst
  ixpk= 411, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1152,1153,1154,
 &end
#
#   99 TYR  HD           31 ILE  QD1         6.00    (#    412:20  Unique         1.85, 4.60 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1681,1690,
 igr2= 552, 553, 554,
 &end
#
#   31 ILE  HA           31 ILE  QD1         4.50    (#    413:20  Unique         1.98, 3.52 A)
 &rst
  ixpk= 413, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:414     31 ILE  QD1         3.50    (#    414:20  Single Ambig)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1633,1635,1636,1635,1636,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:415     67 ILE  HA          6.00    (#    415:20  Single Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1158,1177,
 &end
#
#  117 GLU  HN          117 GLU  HA          4.50    (#    416:20  Unique         2.77, 2.91 A)
 &rst
  ixpk= 416, nxpk= 20, iat=1955,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 THR  HN          117 GLU  HA          4.50    (#    417:20  Unique         3.42, 3.50 A)
 &rst
  ixpk= 417, nxpk= 20, iat=1970,1957, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 LEU  HA           45 PRO  HD-         3.50    (#    418:20  Unique         1.92, 2.21 A)
 &rst
  ixpk= 418, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 789, 790,
 &end
#
#   27 HIS  HA           28 PRO  HD+         3.50    (#    420:20  Unique         1.91, 2.45 A)
 &rst
  ixpk= 420, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 490, 491,
 &end
#
#   31 ILE  HA           32 PRO  HD+         3.50    (#    421:20  Unique         1.91, 2.15 A)
 &rst
  ixpk= 421, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 559, 560,
 &end
#
#   31 ILE  HA           32 PRO  HD-         4.50    (#    422:20  Unique         1.91, 2.15 A)
 &rst
  ixpk= 422, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 559, 560,
 &end
#
#   27 HIS  HA           28 PRO  HD-         4.50    (#    423:20  Unique         1.91, 2.45 A)
 &rst
  ixpk= 423, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 490, 491,
 &end
#
#   85 GLY  HN           85 GLY  HA-         3.50    (#    424:20  Unique         2.43, 2.70 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1479,1480,
 &end
#
#   40 GLY  HN           40 GLY  HA-         4.50    (#    426:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#   47 LEU  HA           47 LEU  HB+         6.00    (#    428:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 428, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#  113 TYR  HD          113 TYR  HB+         4.50    (#    429:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1904,1913,
 igr2=1900,1901,
 &end
#
#  113 TYR  HA          113 TYR  HB+         6.00    (#    430:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 430, nxpk= 20, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1900,1901,
 &end
#
#  113 TYR  HD          113 TYR  HB-         4.50    (#    431:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1904,1913,
 igr2=1900,1901,
 &end
#
#  113 TYR  HA          113 TYR  HB-         4.50    (#    432:20  Unique         2.26, 2.66 A)
 &rst
  ixpk= 432, nxpk= 20, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1900,1901,
 &end
#
#  104 ASP  HN          104 ASP  HB-         4.50    (#    433:20  Unique         2.45, 2.94 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1761,1762,
 &end
#
#  110 TYR  HD          104 ASP  HB-         3.50    (#    434:20  Unique         2.91, 5.70 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1850,1859,
 igr2=1761,1762,
 &end
#
#   52 PHE  HD           52 PHE  HB-         4.50    (#    437:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 915, 923,
 igr2= 911, 912,
 &end
#
#    0 AMB  20-2:438      0 AMB  20-1:438    4.50    (#    438:20  Double Ambig)
 &rst
  ixpk= 438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2075, 182,
 igr2= 190, 191, 190, 191, 190, 191,
 &end
#
#   22 LEU  HA           22 LEU  HB+         4.50    (#    440:20  Unique         2.24, 2.43 A)
 &rst
  ixpk= 440, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#    0 AMB  20-2:441      0 AMB  20-1:441    6.00    (#    441:20  Double Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 396,2097,
 igr2= 381, 382, 381, 382,
 &end
#
#   22 LEU  HN           22 LEU  HB+         4.50    (#    442:20  Unique         2.23, 3.11 A)
 &rst
  ixpk= 442, nxpk= 20, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#   22 LEU  HN           22 LEU  HB-         6.00    (#    443:20  Unique         2.23, 3.11 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 381, 382,
 &end
#
#   22 LEU  HA           22 LEU  HB-         4.50    (#    444:20  Unique         2.24, 2.43 A)
 &rst
  ixpk= 444, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 381, 382,
 &end
#
#    0 AMB  20-2:445      0 AMB  20-1:445    4.50    (#    445:20  Double Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1371,1940,
 igr2=1373,1374,1393,1394,
 &end
#
#    0 AMB  20-2:446      0 AMB  20-1:446    2.80    (#    446:20  Double Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1683,1688,1377,1385,1397,1405,
 igr2=1748,1749,1373,1374,1393,1394,
 &end
#
#   64 ILE  HN           63 LEU  HB+         4.50    (#    447:20  Unique         2.31, 3.58 A)
 &rst
  ixpk= 447, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1083,1084,
 &end
#
#   48 ASP  HN           48 ASP  HB+         6.00    (#    448:20  Unique         2.25, 3.24 A)
 &rst
  ixpk= 448, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 841, 842,
 &end
#
#   48 ASP  HA           48 ASP  HB+         2.80    (#    449:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 449, nxpk= 20, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 841, 842,
 &end
#
#  106 ASP  HA          106 ASP  HB+         4.50    (#    450:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 450, nxpk= 20, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1788,1789,
 &end
#
#  106 ASP  HA          106 ASP  HB-         6.00    (#    451:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 451, nxpk= 20, iat=1786,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1788,1789,
 &end
#
#   60 MET  HN           59 ASN  HB+         6.00    (#    452:20  Unique         1.91, 2.76 A)
 &rst
  ixpk= 452, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1026,1027,
 &end
#
#   59 ASN  HD2+         59 ASN  HB+         6.00    (#    453:20  Unique         2.15, 3.30 A)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#   59 ASN  HA           59 ASN  HB+         4.50    (#    454:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 454, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#    0 AMB  20-2:455     59 ASN  HB-         6.00    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1036,1064,
 igr2=1026,1027,
 &end
#
#   59 ASN  HD2+         59 ASN  HB-         4.50    (#    456:20  Unique         2.15, 3.30 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#   13 PHE  HN           13 PHE  HB+         4.50    (#    457:20  Unique         2.06, 2.64 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 222, 223,
 &end
#
#   13 PHE  HD           13 PHE  HB+         6.00    (#    458:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 226, 234,
 igr2= 222, 223,
 &end
#
#   13 PHE  HA           13 PHE  HB+         6.00    (#    459:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 459, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 222, 223,
 &end
#
#    7 PHE  HD            7 PHE  HB+         3.50    (#    460:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 105, 113,
 igr2= 101, 102,
 &end
#
#   38 TYR  HD           38 TYR  HB+         4.50    (#    461:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 673, 682,
 igr2= 669, 670,
 &end
#
#   38 TYR  HD           38 TYR  HB-         4.50    (#    462:20  Unique         2.32, 3.07 A)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 673, 682,
 igr2= 669, 670,
 &end
#
#  119 PHE  HD          119 PHE  HB+         4.50    (#    463:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1992,2000,
 igr2=1988,1989,
 &end
#
#  119 PHE  HN          119 PHE  HB-         4.50    (#    464:20  Unique         2.18, 3.19 A)
 &rst
  ixpk= 464, nxpk= 20, iat=1984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1988,1989,
 &end
#
#  119 PHE  HD          119 PHE  HB-         4.50    (#    465:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1992,2000,
 igr2=1988,1989,
 &end
#
#  119 PHE  HA          119 PHE  HB-         4.50    (#    466:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 466, nxpk= 20, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1988,1989,
 &end
#
#   52 PHE  HD           35 ILE  HB          4.50    (#    467:20  Unique         1.79, 4.33 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 915, 923,
 &end
#
#   99 TYR  HN           99 TYR  HB+         4.50    (#    468:20  Unique         2.07, 2.56 A)
 &rst
  ixpk= 468, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1677,1678,
 &end
#
#   99 TYR  HN           99 TYR  HB-         6.00    (#    469:20  Unique         2.07, 2.56 A)
 &rst
  ixpk= 469, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1677,1678,
 &end
#
#   99 TYR  HD           99 TYR  HB-         6.00    (#    470:20  Unique         2.32, 3.06 A)
 &rst
  ixpk= 470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1681,1690,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:471      0 AMB  20-1:471    4.50    (#    471:20  Double Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1342,1337,1338,1337,1338,
 igr2=1332,1333,1332,1333,1332,1333,
 &end
#
#   76 ASN  HA            0 AMB  20-1:472    2.80    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=1330,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1332,1333,1332,1333,
 &end
#
#   31 ILE  HN           31 ILE  HB          4.50    (#    473:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 473, nxpk= 20, iat= 539, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:474     23 ILE  HB          4.50    (#    474:20  Single Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 396,2097,
 &end
#
#   84 ASN  HA           84 ASN  HB+         4.50    (#    475:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 475, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1467,1468,
 &end
#
#   14 GLU  HN           14 GLU  HG-         6.00    (#    476:20  Unique         2.32, 2.97 A)
 &rst
  ixpk= 476, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 245, 246,
 &end
#
#  111 MET  HA            0 AMB  20-1:477    4.50    (#    477:20  Single Ambig)
 &rst
  ixpk= 477, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1867,1868,1867,1868,
 &end
#
#    0 AMB  20-2:478      0 AMB  20-1:478    4.50    (#    478:20  Double Ambig)
 &rst
  ixpk= 478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1642,1117,
 igr2=1649,1650,1071,1072,
 &end
#
#   62 GLU  HN           62 GLU  HG+         4.50    (#    479:20  Unique         4.05, 4.47 A)
 &rst
  ixpk= 479, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1071,1072,
 &end
#
#  117 GLU  HN          117 GLU  HG+         6.00    (#    480:20  Unique         2.25, 3.65 A)
 &rst
  ixpk= 480, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1962,1963,
 &end
#
#  117 GLU  HN          117 GLU  HG-         6.00    (#    481:20  Unique         2.25, 3.65 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1962,1963,
 &end
#
#  112 VAL  HN          112 VAL  HB          4.50    (#    482:20  Unique         3.02, 3.62 A)
 &rst
  ixpk= 482, nxpk= 20, iat=1880,1884, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 VAL  HA          112 VAL  HB          6.00    (#    483:20  Unique         2.42, 2.52 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1882,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  HN           33 VAL  HB          4.50    (#    484:20  Unique         2.66, 2.97 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:485     33 VAL  HB          6.00    (#    485:20  Single Ambig)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 574, 568,
 &end
#
#  100 GLU  HN            0 AMB  20-1:486    3.50    (#    486:20  Single Ambig)
 &rst
  ixpk= 486, nxpk= 20, iat=1694,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1701,1702,1701,1702,
 &end
#
#   97 GLU  HA            0 AMB  20-1:487    6.00    (#    487:20  Single Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1701,1702,1701,1702,
 &end
#
#   49 LYS  HA           49 LYS  HB+         6.00    (#    488:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 488, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#  102 GLU  HN          102 GLU  HG+         4.50    (#    489:20  Unique         2.39, 3.57 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1727,1728,
 &end
#
#   77 GLN  HE2+         77 GLN  HG+         4.50    (#    490:20  Unique         2.15, 3.36 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1354,1355,
 igr2=1349,1350,
 &end
#
#    0 AMB  20-2:491      0 AMB  20-1:491    4.50    (#    491:20  Double Ambig)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1342,1285,
 igr2=1349,1350,1349,1350,
 &end
#
#   77 GLN  HE2-         77 GLN  HG+         6.00    (#    492:20  Unique         2.15, 3.36 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1354,1355,
 igr2=1349,1350,
 &end
#
#    0 AMB  20-2:493      0 AMB  20-1:493    3.50    (#    493:20  Double Ambig)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1713,1714,1713,1714, 789, 790,
 igr2=1727,1728,1727,1728,1349,1350,
 &end
#
#  102 GLU  HA          102 GLU  HG-         6.00    (#    494:20  Unique         2.77, 3.35 A)
 &rst
  ixpk= 494, nxpk= 20, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1727,1728,
 &end
#
#    0 AMB  20-2:495    102 GLU  HG-         6.00    (#    495:20  Single Ambig)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1713,1714,1713,1714,
 igr2=1727,1728,
 &end
#
#   15 GLN  HN           15 GLN  HG+         4.50    (#    496:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 496, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 260, 261,
 &end
#
#   15 GLN  HA           15 GLN  HG+         6.00    (#    497:20  Unique         2.18, 2.76 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 260, 261,
 &end
#
#  102 GLU  HN          102 GLU  HG-         6.00    (#    499:20  Unique         2.39, 3.57 A)
 &rst
  ixpk= 499, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1727,1728,
 &end
#
#   43 GLN  HN           43 GLN  HG+         6.00    (#    500:20  Unique         1.77, 2.79 A)
 &rst
  ixpk= 500, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 759, 760,
 &end
#
#   43 GLN  HA           43 GLN  HG+         4.50    (#    501:20  Unique         2.32, 3.26 A)
 &rst
  ixpk= 501, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 759, 760,
 &end
#
#   43 GLN  HA           43 GLN  HG-         4.50    (#    502:20  Unique         2.32, 3.26 A)
 &rst
  ixpk= 502, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 759, 760,
 &end
#
#    0 AMB  20-2:503      0 AMB  20-1:503    6.00    (#    503:20  Double Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1227,1251,
 igr2=1275,1276,1275,1276,1275,1276,
 &end
#
#   26 GLN  HN           26 GLN  HG+         4.50    (#    504:20  Unique         1.86, 2.73 A)
 &rst
  ixpk= 504, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 461, 462,
 &end
#
#   23 ILE  HA           26 GLN  HG+         6.00    (#    505:20  Unique         1.97, 2.77 A)
 &rst
  ixpk= 505, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 461, 462,
 &end
#
#   26 GLN  HN           26 GLN  HG-         4.50    (#    506:20  Unique         1.86, 2.73 A)
 &rst
  ixpk= 506, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 461, 462,
 &end
#
#   83 VAL  HN           83 VAL  HB          4.50    (#    507:20  Unique         2.76, 2.93 A)
 &rst
  ixpk= 507, nxpk= 20, iat=1447,1451, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  111 MET  HA            0 AMB  20-1:508    4.50    (#    508:20  Single Ambig)
 &rst
  ixpk= 508, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1870,1871,1870,1871,
 &end
#
#  116 GLN  HN          116 GLN  HG+         6.00    (#    509:20  Unique         2.63, 3.70 A)
 &rst
  ixpk= 509, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#  116 GLN  HE2+        116 GLN  HG-         6.00    (#    510:20  Unique         2.15, 3.27 A)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2=1945,1946,
 &end
#
#  116 GLN  HA          116 GLN  HG-         6.00    (#    511:20  Unique         2.30, 3.72 A)
 &rst
  ixpk= 511, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#    0 AMB  20-2:512      0 AMB  20-1:512    6.00    (#    512:20  Double Ambig)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1530,1409,
 igr2=1517,1518,1517,1518,
 &end
#
#   45 PRO  HA           45 PRO  HB+         2.80    (#    513:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 513, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 795, 796,
 &end
#
#   46 VAL  HN           45 PRO  HB+         6.00    (#    514:20  Unique         2.07, 3.36 A)
 &rst
  ixpk= 514, nxpk= 20, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 795, 796,
 &end
#
#    0 AMB  20-2:515      0 AMB  20-1:515    4.50    (#    515:20  Double Ambig)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 802,  35,
 igr2= 795, 796,   8,   9,
 &end
#
#   45 PRO  HA           45 PRO  HB-         3.50    (#    516:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 516, nxpk= 20, iat= 798,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 795, 796,
 &end
#
#   88 MET  HA            0 AMB  20-1:517    4.50    (#    517:20  Single Ambig)
 &rst
  ixpk= 517, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1520,1521,1520,1521,
 &end
#
#   28 PRO  HA           28 PRO  HB+         2.80    (#    518:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 518, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 496, 497,
 &end
#
#   89 VAL  HN           89 VAL  HB          4.50    (#    519:20  Unique         2.53, 2.95 A)
 &rst
  ixpk= 519, nxpk= 20, iat=1530,1534, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   60 MET  HN           60 MET  HG-         4.50    (#    521:20  Unique         1.92, 3.05 A)
 &rst
  ixpk= 521, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1043,1044,
 &end
#
#   99 TYR  HN           98 VAL  HB          4.50    (#    522:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1673,1661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  117 GLU  HN          116 GLN  HB+         6.00    (#    523:20  Unique         2.04, 2.99 A)
 &rst
  ixpk= 523, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#  117 GLU  HN          116 GLN  HB-         4.50    (#    524:20  Unique         2.04, 2.99 A)
 &rst
  ixpk= 524, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1942,1943,
 &end
#
#  116 GLN  HN          116 GLN  HB-         6.00    (#    525:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 525, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#  116 GLN  HA          116 GLN  HB-         4.50    (#    526:20  Unique         2.32, 2.48 A)
 &rst
  ixpk= 526, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1942,1943,
 &end
#
#   64 ILE  HN           64 ILE  HG1-        4.50    (#    527:20  Unique         2.20, 3.20 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1108,1109,
 &end
#
#   41 GLU  HN           41 GLU  HB-         4.50    (#    528:20  Unique         2.49, 2.94 A)
 &rst
  ixpk= 528, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 719, 720,
 &end
#
#   21 ARG  HN           20 VAL  HB          4.50    (#    529:20  Unique         2.81, 3.15 A)
 &rst
  ixpk= 529, nxpk= 20, iat= 353, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 VAL  HN           20 VAL  HB          4.50    (#    530:20  Unique         2.29, 2.39 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 337, 341, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HA           86 HIS  HB+         3.50    (#    531:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 531, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1488,1489,
 &end
#
#   32 PRO  HA           32 PRO  HB-         6.00    (#    532:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#   26 GLN  HA           26 GLN  HB+         3.50    (#    533:20  Unique         2.30, 2.43 A)
 &rst
  ixpk= 533, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 458, 459,
 &end
#
#   26 GLN  HN           26 GLN  HB-         4.50    (#    534:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 534, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 458, 459,
 &end
#
#    0 AMB  20-2:535     77 GLN  HB-         2.80    (#    535:20  Single Ambig)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1344,1287,
 igr2=1346,1347,
 &end
#
#   60 MET  HA           60 MET  HB+         4.50    (#    536:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 536, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:537      0 AMB  20-1:537    4.50    (#    537:20  Double Ambig)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 158,1559,  48,
 igr2= 143, 144,1040,1041, 143, 144,
 &end
#
#  105 GLU  HN            0 AMB  20-1:538    2.80    (#    538:20  Single Ambig)
 &rst
  ixpk= 538, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1773,1774,1773,1774,
 &end
#
#   13 PHE  HE            0 AMB  20-1:539    2.80    (#    539:20  Single Ambig)
 &rst
  ixpk= 539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 228, 232,
 igr2=1773,1774,1773,1774,
 &end
#
#    0 AMB  20-2:540      0 AMB  20-1:540    4.50    (#    540:20  Double Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 141,1055,
 igr2= 143, 144,1040,1041,
 &end
#
#    0 AMB  20-2:541     21 ARG  HB-         2.80    (#    541:20  Single Ambig)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 377, 353,
 igr2= 357, 358,
 &end
#
#   71 LEU  HN            0 AMB  20-1:542    4.50    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=1249,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1229,1230,1229,1230,
 &end
#
#   69 ARG  HA           69 ARG  HB+         2.80    (#    543:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 543, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1205,1206,
 &end
#
#   62 GLU  HN           62 GLU  HB+         4.50    (#    544:20  Unique         2.06, 2.54 A)
 &rst
  ixpk= 544, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1068,1069,
 &end
#
#   14 GLU  HN           14 GLU  HB+         4.50    (#    546:20  Unique         2.27, 2.99 A)
 &rst
  ixpk= 546, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 242, 243,
 &end
#
#   14 GLU  HN           14 GLU  HB-         6.00    (#    547:20  Unique         2.27, 2.99 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 242, 243,
 &end
#
#    0 AMB  20-2:548     24 ARG  HB-         3.50    (#    548:20  Single Ambig)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 417, 441,
 igr2= 419, 420,
 &end
#
#   42 LYS  HA           42 LYS  HD-         4.50    (#    549:20  Unique         2.14, 3.18 A)
 &rst
  ixpk= 549, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 740, 741,
 &end
#
#    0 AMB  20-2:550      0 AMB  20-1:550    6.00    (#    550:20  Double Ambig)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 798, 771,
 igr2= 792, 793, 792, 793,
 &end
#
#   45 PRO  HD+          45 PRO  HG+         4.50    (#    551:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 790,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:552      0 AMB  20-1:552    4.50    (#    552:20  Double Ambig)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 789, 790, 804,
 igr2= 792, 793, 825,
 &end
#
#    0 AMB  20-2:553      0 AMB  20-1:553    6.00    (#    553:20  Double Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 771,1919, 798,
 igr2= 776, 792, 793,
 &end
#
#    0 AMB  20-2:554      0 AMB  20-1:554    4.50    (#    554:20  Double Ambig)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 353, 377,
 igr2= 360, 361, 360, 361,
 &end
#
#   69 ARG  HA           69 ARG  HG+         3.50    (#    555:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 555, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1208,1209,
 &end
#
#   73 LEU  HN           73 LEU  HG          6.00    (#    557:20  Unique         1.81, 2.78 A)
 &rst
  ixpk= 557, nxpk= 20, iat=1285,1292, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 SER  HN          114 ALA  MB          3.50    (#    559:20  Unique         1.86, 2.87 A)
 &rst
  ixpk= 559, nxpk= 20, iat=1927,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1921,1922,1923,
 &end
#
#  114 ALA  HN          114 ALA  MB          4.50    (#    560:20  Unique         2.84, 3.55 A)
 &rst
  ixpk= 560, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1921,1922,1923,
 &end
#
#  116 GLN  HN          114 ALA  MB          3.50    (#    561:20  Unique         2.48, 3.19 A)
 &rst
  ixpk= 561, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1921,1922,1923,
 &end
#
#   38 TYR  HD          114 ALA  MB          4.50    (#    562:20  Unique         1.65, 4.58 A)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 673, 682,
 igr2=1921,1922,1923,
 &end
#
#  116 GLN  HE2-        114 ALA  MB          4.50    (#    563:20  Unique         1.57, 3.80 A)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1950,1951,
 igr2=1921,1922,1923,
 &end
#
#  114 ALA  HA          114 ALA  MB          2.80    (#    564:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 564, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  20-2:565    114 ALA  MB          6.00    (#    565:20  Single Ambig)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1940,1371,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  20-2:566      0 AMB  20-1:566    6.00    (#    566:20  Double Ambig)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1931,1932, 667,
 igr2=1921,1922,1923, 737, 738,
 &end
#
#   93 THR  HN           93 THR  MG2         4.50    (#    567:20  Unique         2.36, 3.81 A)
 &rst
  ixpk= 567, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1590,1591,1592,
 &end
#
#   78 ALA  HN           78 ALA  MB          2.80    (#    568:20  Unique         2.48, 3.07 A)
 &rst
  ixpk= 568, nxpk= 20, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1363,1364,1365,
 &end
#
#   79 PHE  HN           78 ALA  MB          3.50    (#    569:20  Unique         2.40, 3.51 A)
 &rst
  ixpk= 569, nxpk= 20, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1363,1364,1365,
 &end
#
#   80 PHE  HE           78 ALA  MB          3.50    (#    570:20  Unique         2.26, 5.70 A)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1399,1403,
 igr2=1363,1364,1365,
 &end
#
#   80 PHE  HD           78 ALA  MB          6.00    (#    571:20  Unique         2.65, 6.24 A)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1397,1405,
 igr2=1363,1364,1365,
 &end
#
#    0 AMB  20-2:572     78 ALA  MB          4.50    (#    572:20  Single Ambig)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1929,1371,
 igr2=1363,1364,1365,
 &end
#
#   78 ALA  HA           78 ALA  MB          2.80    (#    573:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 573, nxpk= 20, iat=1361,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1363,1364,1365,
 &end
#
#  115 SER  HB+          78 ALA  MB          4.50    (#    574:20  Unique         1.62, 5.03 A)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1931,1932,
 igr2=1363,1364,1365,
 &end
#
#   60 MET  HA           60 MET  ME          4.50    (#    575:20  Unique         1.74, 3.14 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1047,1048,1049,
 &end
#
#    0 AMB  20-2:576     60 MET  ME          6.00    (#    576:20  Single Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1614,1081,
 igr2=1047,1048,1049,
 &end
#
#   50 THR  HN           50 THR  HB          6.00    (#    577:20  Unique         2.42, 3.06 A)
 &rst
  ixpk= 577, nxpk= 20, iat= 871, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 THR  HN           93 THR  HB          4.50    (#    578:20  Unique         2.25, 2.82 A)
 &rst
  ixpk= 578, nxpk= 20, iat=1584,1588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   95 ILE  HN           95 ILE  HA          6.00    (#    579:20  Unique         2.78, 2.85 A)
 &rst
  ixpk= 579, nxpk= 20, iat=1612,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   90 SER  HN           90 SER  HB-         3.50    (#    580:20  Unique         2.54, 3.04 A)
 &rst
  ixpk= 580, nxpk= 20, iat=1546,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1550,1551,
 &end
#
#   95 ILE  HN           94 PRO  HA          4.50    (#    581:20  Unique         2.22, 2.33 A)
 &rst
  ixpk= 581, nxpk= 20, iat=1612,1608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ASN  HA           94 PRO  HA          3.50    (#    582:20  Unique         2.00, 2.46 A)
 &rst
  ixpk= 582, nxpk= 20, iat=1024,1608, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 PHE  HN           13 PHE  HA          6.00    (#    583:20  Unique         2.64, 2.74 A)
 &rst
  ixpk= 583, nxpk= 20, iat= 218, 220, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:584     13 PHE  HA          6.00    (#    584:20  Single Ambig)
 &rst
  ixpk= 584, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 226, 234, 283,
 &end
#
#   13 PHE  HN           12 THR  HA          3.50    (#    585:20  Unique         2.41, 2.55 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 218, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 THR  HB           12 THR  HA          3.50    (#    586:20  Unique         2.48, 2.58 A)
 &rst
  ixpk= 586, nxpk= 20, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   96 SER  HN            0 AMB  20-1:587    3.50    (#    587:20  Single Ambig)
 &rst
  ixpk= 587, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr2=1635,1636,1635,1636,1633,
 &end
#
#   84 ASN  HN           83 VAL  HA          4.50    (#    588:20  Unique         2.16, 2.23 A)
 &rst
  ixpk= 588, nxpk= 20, iat=1463,1449, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   14 GLU  HN           14 GLU  HA          4.50    (#    589:20  Unique         2.76, 2.81 A)
 &rst
  ixpk= 589, nxpk= 20, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 LYS  HN           65 LYS  HA          4.50    (#    590:20  Unique         2.79, 2.85 A)
 &rst
  ixpk= 590, nxpk= 20, iat=1117,1119, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:591     21 ARG  HA          4.50    (#    591:20  Single Ambig)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353, 377,
 &end
#
#  105 GLU  HN          105 GLU  HA          4.50    (#    592:20  Unique         2.77, 2.79 A)
 &rst
  ixpk= 592, nxpk= 20, iat=1769,1771, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HN          100 GLU  HA          3.50    (#    593:20  Unique         2.85, 2.91 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1694,1696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 GLU  HN           25 GLU  HA          4.50    (#    594:20  Unique         2.78, 2.88 A)
 &rst
  ixpk= 594, nxpk= 20, iat= 439, 441, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:595      0 AMB  20-1:595    4.50    (#    595:20  Double Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 310, 454,
 igr2= 255, 441,
 &end
#
#   15 GLN  HN           15 GLN  HA          6.00    (#    596:20  Unique         2.74, 2.78 A)
 &rst
  ixpk= 596, nxpk= 20, iat= 253, 255, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ARG  HN           70 ARG  HA          4.50    (#    597:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 597, nxpk= 20, iat=1225,1227, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 TYR  HN           38 TYR  HA          6.00    (#    598:20  Unique         2.77, 2.79 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 665, 667, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 LYS  HN           38 TYR  HA          3.50    (#    599:20  Unique         2.13, 2.15 A)
 &rst
  ixpk= 599, nxpk= 20, iat= 686, 667, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 TYR  HD           38 TYR  HA          3.50    (#    600:20  Unique         3.57, 4.17 A)
 &rst
  ixpk= 600, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 673, 682,
 &end
#
#   24 ARG  HN           24 ARG  HA          6.00    (#    601:20  Unique         2.86, 2.88 A)
 &rst
  ixpk= 601, nxpk= 20, iat= 415, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HN           26 GLN  HA          4.50    (#    602:20  Unique         2.81, 2.91 A)
 &rst
  ixpk= 602, nxpk= 20, iat= 454, 456, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 PHE  HD           80 PHE  HA          4.50    (#    603:20  Unique         1.96, 3.41 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1397,1405,
 &end
#
#  119 PHE  HD          119 PHE  HA          4.50    (#    604:20  Unique         2.06, 3.78 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1992,2000,
 &end
#
#   81 LEU  HN           80 PHE  HA          2.80    (#    605:20  Unique         2.13, 2.18 A)
 &rst
  ixpk= 605, nxpk= 20, iat=1409,1391, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    5 LYS  HN            4 GLU  HA          3.50    (#    607:20  Unique         2.47, 2.80 A)
 &rst
  ixpk= 607, nxpk= 20, iat=  61,  48, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   42 LYS  HN           41 GLU  HA          2.80    (#    608:20  Unique         2.13, 2.18 A)
 &rst
  ixpk= 608, nxpk= 20, iat= 730, 717, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   41 GLU  HN           41 GLU  HA          4.50    (#    609:20  Unique         2.97, 2.97 A)
 &rst
  ixpk= 609, nxpk= 20, iat= 715, 717, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 TYR  HD           41 GLU  HA          6.00    (#    610:20  Unique         4.89, 6.58 A)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 682,
 &end
#
#   72 GLN  HN           72 GLN  HA          2.80    (#    612:20  Unique         2.44, 2.67 A)
 &rst
  ixpk= 612, nxpk= 20, iat=1268,1270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   73 LEU  HN           72 GLN  HA          3.50    (#    613:20  Unique         2.14, 2.62 A)
 &rst
  ixpk= 613, nxpk= 20, iat=1285,1270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:614     77 GLN  HA          4.50    (#    614:20  Single Ambig)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1342,1337,1338,
 &end
#
#    0 AMB  20-2:615     71 LEU  HA          4.50    (#    615:20  Single Ambig)
 &rst
  ixpk= 615, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1249,1268,
 &end
#
#   75 ALA  HN           75 ALA  HA          6.00    (#    616:20  Unique         2.79, 2.84 A)
 &rst
  ixpk= 616, nxpk= 20, iat=1318,1320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 THR  HN           49 LYS  HA          6.00    (#    617:20  Unique         2.14, 2.72 A)
 &rst
  ixpk= 617, nxpk= 20, iat= 871, 851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ALA  HN           78 ALA  HA          4.50    (#    620:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1359,1361, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   79 PHE  HN           78 ALA  HA          2.80    (#    621:20  Unique         2.15, 2.30 A)
 &rst
  ixpk= 621, nxpk= 20, iat=1369,1361, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   44 LEU  HA           45 PRO  HD+         3.50    (#    623:20  Unique         1.92, 2.21 A)
 &rst
  ixpk= 623, nxpk= 20, iat= 771,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 789, 790,
 &end
#
#   85 GLY  HN           85 GLY  HA+         3.50    (#    624:20  Unique         2.43, 2.70 A)
 &rst
  ixpk= 624, nxpk= 20, iat=1477,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1479,1480,
 &end
#
#   86 HIS  HN           85 GLY  HA+         6.00    (#    625:20  Unique         2.90, 3.22 A)
 &rst
  ixpk= 625, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1479,1480,
 &end
#
#   40 GLY  HN           40 GLY  HA+         4.50    (#    626:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 710, 711,
 &end
#
#  104 ASP  HN          104 ASP  HB+         6.00    (#    627:20  Unique         2.45, 2.94 A)
 &rst
  ixpk= 627, nxpk= 20, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  110 TYR  HD          104 ASP  HB+         4.50    (#    628:20  Unique         2.91, 5.70 A)
 &rst
  ixpk= 628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1850,1859,
 igr2=1761,1762,
 &end
#
#  117 GLU  HA          117 GLU  HG-         4.50    (#    630:20  Unique         2.15, 3.35 A)
 &rst
  ixpk= 630, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1962,1963,
 &end
#
#   26 GLN  HA           26 GLN  HG+         4.50    (#    631:20  Unique         3.52, 3.73 A)
 &rst
  ixpk= 631, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 461, 462,
 &end
#
#   26 GLN  HA           26 GLN  HG-         4.50    (#    632:20  Unique         3.52, 3.73 A)
 &rst
  ixpk= 632, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 461, 462,
 &end
#
#    7 PHE  HA            1 MET  HB+         3.50    (#    633:20  Unique         1.94, 4.65 A)
 &rst
  ixpk= 633, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#   98 VAL  HA           98 VAL  HB          6.00    (#    634:20  Unique         3.00, 3.00 A)
 &rst
  ixpk= 634, nxpk= 20, iat=1659,1661, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:635     17 VAL  HB          3.50    (#    635:20  Single Ambig)
 &rst
  ixpk= 635, nxpk= 20, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 240, 296,
 &end
#
#   39 LYS  HA           39 LYS  HB-         3.50    (#    636:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 690, 691,
 &end
#
#    0 AMB  20-2:637      0 AMB  20-1:637    4.50    (#    637:20  Double Ambig)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.14, r4= 8.64,
 igr1= 339, 329, 330, 329, 330, 329, 330,
 igr2= 341, 565, 566, 274, 275,
 &end
#
#   21 ARG  HA           21 ARG  HB-         4.50    (#    638:20  Unique         2.69, 2.82 A)
 &rst
  ixpk= 638, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 357, 358,
 &end
#
#   21 ARG  HD+          21 ARG  HB-         3.50    (#    639:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 363, 364,
 igr2= 357, 358,
 &end
#
#    0 AMB  20-2:640      0 AMB  20-1:640    4.50    (#    640:20  Double Ambig)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1211,1212,1211,1212,1235,1236,
 igr2=1205,1206,1205,1206,1205,1206,
 &end
#
#    0 AMB  20-2:641      0 AMB  20-1:641    3.50    (#    641:20  Double Ambig)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1066,1081,
 igr2=1068,1069,1068,1069,
 &end
#
#    0 AMB  20-2:642      0 AMB  20-1:642    3.50    (#    642:20  Double Ambig)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 240, 355,
 igr2= 242, 243, 419, 420,
 &end
#
#    0 AMB  20-2:643      0 AMB  20-1:643    4.50    (#    643:20  Double Ambig)
 &rst
  ixpk= 643, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  22,  23,  39,  40,
 igr2=  25,  26,  25,  26,
 &end
#
#    2 PRO  HD-           2 PRO  HG+         4.50    (#    644:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  22,  23,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:646      2 PRO  HG-         4.50    (#    646:20  Single Ambig)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  22,  23,  39,  40,
 igr2=  25,  26,
 &end
#
#    2 PRO  HD-           2 PRO  HG-         6.00    (#    647:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  22,  23,
 igr2=  25,  26,
 &end
#
#   45 PRO  HD-          45 PRO  HG+         4.50    (#    648:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 790,
 igr2= 792, 793,
 &end
#
#   45 PRO  HD-          45 PRO  HG-         4.50    (#    649:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 789, 790,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:650      0 AMB  20-1:650    6.00    (#    650:20  Double Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1807,1808, 559, 560, 559, 560,
 igr2= 562, 563, 422, 423,
 &end
#
#    0 AMB  20-2:651      0 AMB  20-1:651    2.80    (#    651:20  Double Ambig)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1235,1236,1211,1212,1211,1212,
 igr2=1232,1233,1208,1209,
 &end
#
#   72 GLN  HA           72 GLN  HB+         3.50    (#    652:20  Unique         2.26, 2.70 A)
 &rst
  ixpk= 652, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1272,1273,
 &end
#
#   72 GLN  HA           72 GLN  HB-         3.50    (#    653:20  Unique         2.26, 2.70 A)
 &rst
  ixpk= 653, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1272,1273,
 &end
#
#  115 SER  HB-          78 ALA  MB          6.00    (#    654:20  Unique         1.62, 5.03 A)
 &rst
  ixpk= 654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1931,1932,
 igr2=1363,1364,1365,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    6.00    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1696,1270,
 igr2=1748,1749,1373,1374,
 &end
#
#  100 GLU  HA          103 LYS  HE-         6.00    (#    660:20  Unique         2.90, 5.19 A)
 &rst
  ixpk= 660, nxpk= 20, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1748,1749,
 &end
#
#   23 ILE  QD1          23 ILE  HG1+        4.50    (#    661:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 409, 410, 411,
 igr2= 406, 407,
 &end
#
#   23 ILE  QG2          23 ILE  HG1+        6.00    (#    663:20  Unique         2.31, 3.48 A)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 402, 403, 404,
 igr2= 406, 407,
 &end
#
#    0 AMB  20-2:664     20 VAL  MGX         2.80    (#    664:20  Single Ambig)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 565, 566, 341,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   23 ILE  QG2          20 VAL  MGX         6.00    (#    665:20  Unique         3.20, 4.78 A)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 402, 403, 404,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   17 VAL  MGY          20 VAL  MGX         6.00    (#    667:20  Unique         4.71, 7.35 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   35 ILE  HB           35 ILE  QD1         3.50    (#    668:20  Unique         2.45, 3.11 A)
 &rst
  ixpk= 668, nxpk= 20, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 620, 621, 622,
 &end
#
#   35 ILE  HG1-         35 ILE  QD1         3.50    (#    669:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 617, 618,
 igr2= 620, 621, 622,
 &end
#
#   81 LEU  MDY          35 ILE  QD1         2.80    (#    670:20  Unique         1.25, 4.21 A)
 &rst
  ixpk= 670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  20-2:671     35 ILE  QD1         2.80    (#    671:20  Single Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 613, 614, 615, 617, 618,
 igr2= 620, 621, 622,
 &end
#
#   73 LEU  HG           73 LEU  MDX         3.50    (#    673:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 673, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:674     71 LEU  MDY         2.80    (#    674:20  Single Ambig)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 853, 854,1256,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:675     17 VAL  MGY         2.80    (#    675:20  Single Ambig)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 298, 360, 361,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   31 ILE  HB           31 ILE  QG2         3.50    (#    677:20  Unique         2.44, 2.65 A)
 &rst
  ixpk= 677, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:678     31 ILE  QG2         6.00    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1830,1827,1828,
 igr2= 545, 546, 547,
 &end
#
#   95 ILE  HG1-         31 ILE  QG2         6.00    (#    679:20  Unique         2.38, 4.90 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1622,1623,
 igr2= 545, 546, 547,
 &end
#
#   34 ILE  HB           34 ILE  QG2         4.50    (#    680:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 680, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  20-2:681     95 ILE  QD1         2.80    (#    681:20  Single Ambig)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1874,1875,1876,1616, 543,
 igr2=1625,1626,1627,
 &end
#
#   95 ILE  HG1-         95 ILE  QD1         2.80    (#    682:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1622,1623,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:683     66 ILE  QD1         2.80    (#    683:20  Single Ambig)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1149,1150,2210,
 igr2=1152,1153,1154,
 &end
#
#    0 AMB  20-2:684     66 ILE  QD1         3.50    (#    684:20  Single Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2179,1162, 859, 860,
 igr2=1152,1153,1154,
 &end
#
#   31 ILE  HB           31 ILE  QD1         6.00    (#    685:20  Unique         2.58, 3.67 A)
 &rst
  ixpk= 685, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 552, 553, 554,
 &end
#
#   31 ILE  HG1-         31 ILE  QD1         4.50    (#    686:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 549, 550,
 igr2= 552, 553, 554,
 &end
#
#   34 ILE  HA           34 ILE  QD1         4.50    (#    687:20  Unique         2.28, 4.17 A)
 &rst
  ixpk= 687, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 601, 602, 603,
 &end
#
#   51 LYS  HB+          34 ILE  QD1         6.00    (#    688:20  Unique         2.19, 6.36 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 889, 890,
 igr2= 601, 602, 603,
 &end
#
#   34 ILE  QG2          34 ILE  QD1         3.50    (#    689:20  Unique         1.95, 3.96 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 594, 595, 596,
 igr2= 601, 602, 603,
 &end
#
#   34 ILE  HG1+         34 ILE  QD1         6.00    (#    690:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 598, 599,
 igr2= 601, 602, 603,
 &end
#
#    1 MET  HA            1 MET  HB+         3.50    (#    691:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 691, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=   8,   9,
 &end
#
#    1 MET  HA            1 MET  HB-         6.00    (#    692:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 692, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=   8,   9,
 &end
#
#    0 AMB  20-2:693      2 PRO  HB-         4.50    (#    693:20  Single Ambig)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  31,2028,
 igr2=  28,  29,
 &end
#
#   62 GLU  HA           65 LYS  HB+         4.50    (#    694:20  Unique         2.32, 3.79 A)
 &rst
  ixpk= 694, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1121,1122,
 &end
#
#    0 AMB  20-2:695      0 AMB  20-1:695    3.50    (#    695:20  Double Ambig)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  22,  23,1119,
 igr2=   8,   9,1121,1122,
 &end
#
#    1 MET  HG+           1 MET  HB+         3.50    (#    696:20  Unique         2.21, 2.65 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  11,  12,
 igr2=   8,   9,
 &end
#
#  123 GLU  HB+           2 PRO  HB-         4.50    (#    697:20  Unique         2.71, 4.73 A)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2051,2052,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:698      0 AMB  20-1:698    4.50    (#    698:20  Double Ambig)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1124,1125,  68,  69,
 igr2=1121,1122,   8,   9,
 &end
#
#    2 PRO  HD-           1 MET  HB+         6.00    (#    699:20  Unique         1.84, 4.06 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  22,  23,
 igr2=   8,   9,
 &end
#
#    3 SER  HN            2 PRO  HA          4.50    (#    700:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 700, nxpk= 20, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:701      2 PRO  HA          6.00    (#    701:20  Single Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  28,  29,   8,   9,
 &end
#
#    3 SER  HB-           2 PRO  HB-         6.00    (#    702:20  Unique         3.82, 5.93 A)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  39,  40,
 igr2=  28,  29,
 &end
#
#   64 ILE  HA           64 ILE  HG1-        6.00    (#    703:20  Unique         2.06, 2.61 A)
 &rst
  ixpk= 703, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1108,1109,
 &end
#
#   64 ILE  QD1          64 ILE  HG1-        2.80    (#    704:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1111,1112,1113,
 igr2=1108,1109,
 &end
#
#    0 AMB  20-2:706     44 LEU  HG          8.00    (#    706:20  Single Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1, 776, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 764, 765,1950,1951,
 &end
#
#  123 GLU  HA            2 PRO  HG+         6.00    (#    707:20  Unique         5.99, 7.08 A)
 &rst
  ixpk= 707, nxpk= 20, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  25,  26,
 &end
#
#  115 SER  HB+          44 LEU  HG          6.00    (#    708:20  Unique         2.72, 3.74 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1, 776, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1931,1932,
 &end
#
#    0 AMB  20-2:710      0 AMB  20-1:710    3.50    (#    710:20  Double Ambig)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 795, 796, 795, 796,
 igr2= 792, 793, 825,
 &end
#
#    1 MET  HA            2 PRO  HD-         4.50    (#    713:20  Unique         1.92, 2.84 A)
 &rst
  ixpk= 713, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  22,  23,
 &end
#
#    2 PRO  HB+           2 PRO  HD+         6.00    (#    716:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  28,  29,
 igr2=  22,  23,
 &end
#
#    2 PRO  HB+           2 PRO  HD-         8.00    (#    717:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=  28,  29,
 igr2=  22,  23,
 &end
#
#    0 AMB  20-2:718      2 PRO  HD-         3.50    (#    718:20  Single Ambig)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   8,   9,  25,  26,
 igr2=  22,  23,
 &end
#
#    0 AMB  20-2:719      2 PRO  HD-         4.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=   8,   9,  28,  29,
 igr2=  22,  23,
 &end
#
#    4 GLU  HN            3 SER  HA          4.50    (#    720:20  Unique         2.99, 3.49 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  46,  37, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 LEU  HB-          87 SER  HA          8.00    (#    721:20  Unique         2.74, 4.21 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,1504, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1432,1433,
 &end
#
#   44 LEU  HN          115 SER  HB-         4.50    (#    722:20  Unique         4.41, 5.49 A)
 &rst
  ixpk= 722, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1931,1932,
 &end
#
#   87 SER  HN            0 AMB  20-1:723    3.50    (#    723:20  Single Ambig)
 &rst
  ixpk= 723, nxpk= 20, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:724      0 AMB  20-1:724    6.00    (#    724:20  Double Ambig)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1573,1389,
 igr2=1577,1578,1931,1932,
 &end
#
#    3 SER  HN            3 SER  HB+         6.00    (#    725:20  Unique         2.45, 3.34 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  39,  40,
 &end
#
#   86 HIS  HA            0 AMB  20-1:726    6.00    (#    726:20  Single Ambig)
 &rst
  ixpk= 726, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1506,1507,1506,1507,
 &end
#
#    1 MET  HA            3 SER  HB-         6.00    (#    730:20  Unique         4.31, 5.73 A)
 &rst
  ixpk= 730, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  39,  40,
 &end
#
#    3 SER  HA            3 SER  HB-         3.50    (#    732:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  37,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  39,  40,
 &end
#
#    0 AMB  20-2:733      0 AMB  20-1:733    6.00    (#    733:20  Double Ambig)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1962,1963,1962,1963,
 igr2=1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:734      0 AMB  20-1:734    4.50    (#    734:20  Double Ambig)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1363,1364,1365,1962,1963,
 igr2=1931,1932,1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:735      0 AMB  20-1:735    4.50    (#    735:20  Double Ambig)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1432,1433,1563,1564,1565,1567,1568,1569,1563,1564,
      1565,1567,1568,1569,
 igr2=1506,1507,1506,1507,1577,1578,
 &end
#
#    0 AMB  20-2:736      0 AMB  20-1:736    3.50    (#    736:20  Double Ambig)
 &rst
  ixpk= 736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 778, 779, 780, 782, 783, 784,1435,
 igr2=1931,1932,1506,1507,1506,1507,
 &end
#
#    4 GLU  HN            4 GLU  HB+         6.00    (#    737:20  Unique         2.62, 3.38 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  50,  51,
 &end
#
#    5 LYS  HN            4 GLU  HB+         6.00    (#    738:20  Unique         1.85, 4.03 A)
 &rst
  ixpk= 738, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  50,  51,
 &end
#
#    4 GLU  HA            4 GLU  HB+         2.80    (#    739:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  50,  51,
 &end
#
#    4 GLU  HA            4 GLU  HB-         3.50    (#    740:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  50,  51,
 &end
#
#   62 GLU  HN           62 GLU  HG-         6.00    (#    742:20  Unique         4.05, 4.47 A)
 &rst
  ixpk= 742, nxpk= 20, iat=1064,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1071,1072,
 &end
#
#    6 THR  HN            5 LYS  HA          4.50    (#    745:20  Unique         2.21, 2.56 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  83,  63, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    5 LYS  HN            5 LYS  HA          6.00    (#    746:20  Unique         2.81, 2.87 A)
 &rst
  ixpk= 746, nxpk= 20, iat=  61,  63, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:747      5 LYS  HA          4.50    (#    747:20  Single Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:748      5 LYS  HA          6.00    (#    748:20  Single Ambig)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  71,  72,  68,  69,
 &end
#
#    5 LYS  HG-           5 LYS  HA          6.00    (#    749:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  63, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  68,  69,
 &end
#
#    0 AMB  20-2:750      0 AMB  20-1:750    3.50    (#    750:20  Double Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 143, 144, 143, 144,
 igr2=  65,  66,  65,  66,
 &end
#
#    5 LYS  HN            5 LYS  HG+         6.00    (#    751:20  Unique         2.31, 4.38 A)
 &rst
  ixpk= 751, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#    5 LYS  HN            5 LYS  HG-         6.00    (#    752:20  Unique         2.31, 4.38 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#    6 THR  HN            5 LYS  HG-         8.00    (#    753:20  Unique         1.95, 3.54 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  68,  69,
 &end
#
#   30 LYS  HA           30 LYS  HG+         6.00    (#    754:20  Unique         2.08, 2.79 A)
 &rst
  ixpk= 754, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#    5 LYS  HA            5 LYS  HG+         6.00    (#    755:20  Unique         2.02, 2.92 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  68,  69,
 &end
#
#    0 AMB  20-2:756      0 AMB  20-1:756    4.50    (#    756:20  Double Ambig)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=  74,  75,  74,  75,
 igr2=  68,  69,  68,  69,
 &end
#
#    0 AMB  20-2:758      0 AMB  20-1:758    3.50    (#    758:20  Double Ambig)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1121,1122,1121,1122,  50,  51,
 igr2=1124,1125,  68,  69,
 &end
#
#    0 AMB  20-2:759      0 AMB  20-1:759    2.80    (#    759:20  Double Ambig)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=  65,  66,  65,  66,
 igr2=  68,  69,  68,  69,
 &end
#
#    0 AMB  20-2:760     65 LYS  HG-         2.80    (#    760:20  Single Ambig)
 &rst
  ixpk= 760, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1127,1128,1127,1128,
 igr2=1124,1125,
 &end
#
#    5 LYS  HA            0 AMB  20-1:761    6.00    (#    761:20  Single Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  71,  72,  71,  72,
 &end
#
#    0 AMB  20-2:762      0 AMB  20-1:762    6.00    (#    762:20  Double Ambig)
 &rst
  ixpk= 762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=  39,  40, 688,
 igr2=  71,  72, 696, 697, 696, 697,
 &end
#
#   65 LYS  HA            0 AMB  20-1:763    6.00    (#    763:20  Single Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1127,1128,1127,1128,
 &end
#
#    0 AMB  20-2:764      0 AMB  20-1:764    2.80    (#    764:20  Double Ambig)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1= 530, 531, 530, 531, 530, 531,1130,1131,1130,1131,
      1130,1131, 475, 476,
 igr2= 527, 528, 527, 528, 527, 528,1127,1128,1127,1128,
      1127,1128, 527, 528,
 &end
#
#    0 AMB  20-2:765      0 AMB  20-1:765    2.80    (#    765:20  Double Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.03, r4= 6.53,
 igr1=  74,  75,  74,  75, 699, 700, 699, 700, 699, 700,
      
 igr2=  71,  72,  71,  72, 696, 697, 696, 697, 696, 697,
      
 &end
#
#    7 PHE  HN            6 THR  HA          4.50    (#    766:20  Unique         2.27, 2.57 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  97,  85, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 THR  HN            6 THR  HA          6.00    (#    768:20  Unique         2.82, 2.87 A)
 &rst
  ixpk= 768, nxpk= 20, iat=  83,  85, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 THR  HB            6 THR  HA          3.50    (#    769:20  Unique         2.79, 2.89 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  87,  85, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:771      6 THR  HA          8.00    (#    771:20  Single Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  85, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 633, 634, 633, 634,
 &end
#
#    7 PHE  HN            6 THR  HB          6.00    (#    773:20  Unique         2.19, 2.51 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  97,  87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:774      6 THR  HB          8.00    (#    774:20  Single Ambig)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=   6, 628,
 &end
#
#    6 THR  HA            6 THR  HB          6.00    (#    775:20  Unique         2.79, 2.89 A)
 &rst
  ixpk= 775, nxpk= 20, iat=  85,  87, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 THR  MG2           6 THR  HB          4.50    (#    776:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  87, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  89,  90,  91,
 &end
#
#    8 LYS  HN            6 THR  MG2         8.00    (#    777:20  Unique         3.28, 4.22 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=  89,  90,  91,
 &end
#
#    6 THR  HN            6 THR  MG2         3.50    (#    779:20  Unique         3.44, 4.33 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  89,  90,  91,
 &end
#
#    6 THR  HB            6 THR  MG2         3.50    (#    781:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 781, nxpk= 20, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  89,  90,  91,
 &end
#
#   36 GLU  HA            6 THR  MG2         6.00    (#    782:20  Unique         4.85, 5.72 A)
 &rst
  ixpk= 782, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  89,  90,  91,
 &end
#
#    0 AMB  20-2:783      6 THR  MG2         6.00    (#    783:20  Single Ambig)
 &rst
  ixpk= 783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 699, 700, 699, 700,
 igr2=  89,  90,  91,
 &end
#
#    0 AMB  20-2:785      6 THR  MG2         6.00    (#    785:20  Single Ambig)
 &rst
  ixpk= 785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 124, 125, 121, 122, 740, 741,  65,  66,
 igr2=  89,  90,  91,
 &end
#
#    7 PHE  HN            7 PHE  HB+         6.00    (#    789:20  Unique         2.07, 2.82 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 101, 102,
 &end
#
#    7 PHE  HN            7 PHE  HB-         6.00    (#    790:20  Unique         2.07, 2.82 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 101, 102,
 &end
#
#   13 PHE  HN           13 PHE  HB-         6.00    (#    791:20  Unique         2.06, 2.64 A)
 &rst
  ixpk= 791, nxpk= 20, iat= 218,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 222, 223,
 &end
#
#    0 AMB  20-2:792      7 PHE  HB-         3.50    (#    792:20  Single Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 105, 113, 885,
 igr2= 101, 102,
 &end
#
#    0 AMB  20-2:793      0 AMB  20-1:793    2.80    (#    793:20  Double Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 226, 234, 180,
 igr2= 222, 223, 101, 102,
 &end
#
#   84 ASN  HA          110 TYR  HB+         6.00    (#    794:20  Unique         2.50, 4.82 A)
 &rst
  ixpk= 794, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1846,1847,
 &end
#
#  119 PHE  HA          119 PHE  HB+         3.50    (#    795:20  Unique         2.37, 2.60 A)
 &rst
  ixpk= 795, nxpk= 20, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1988,1989,
 &end
#
#    7 PHE  HA            7 PHE  HB+         4.50    (#    796:20  Unique         2.21, 2.50 A)
 &rst
  ixpk= 796, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 101, 102,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    6.00    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  99,1974,
 igr2= 101, 102,1988,1989,
 &end
#
#   50 THR  MG2           7 PHE  HB+         6.00    (#    798:20  Unique         1.73, 3.20 A)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 877, 878, 879,
 igr2= 101, 102,
 &end
#
#   50 THR  MG2           7 PHE  HB-         6.00    (#    799:20  Unique         1.73, 3.20 A)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 877, 878, 879,
 igr2= 101, 102,
 &end
#
#   34 ILE  QG2           0 AMB  20-1:800    6.00    (#    800:20  Single Ambig)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 594, 595, 596,
 igr2= 101, 102,1846,1847,
 &end
#
#    0 AMB  20-2:801      8 LYS  HA          8.00    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 139, 180,
 &end
#
#   21 ARG  HD-          21 ARG  HA          6.00    (#    802:20  Unique         2.38, 3.72 A)
 &rst
  ixpk= 802, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 363, 364,
 &end
#
#    8 LYS  HE-           8 LYS  HA          6.00    (#    803:20  Unique         2.59, 4.25 A)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 130, 131,
 &end
#
#    0 AMB  20-2:804      8 LYS  HA          6.00    (#    804:20  Single Ambig)
 &rst
  ixpk= 804, nxpk= 20, iat=  -1, 119, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 124, 125, 210, 211, 212,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    8.00    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.39, r4=13.89,
 igr1= 184, 185, 402, 403, 404, 386, 387, 388, 390, 391,
       392,
 igr2= 119, 355,
 &end
#
#   20 VAL  MGY          21 ARG  HA          6.00    (#    806:20  Unique         3.10, 5.54 A)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#    8 LYS  HN            0 AMB  20-1:807    6.00    (#    807:20  Single Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 121, 122, 121, 122,
 &end
#
#    8 LYS  HN            0 AMB  20-1:808    6.00    (#    808:20  Single Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 121, 122, 121, 122,
 &end
#
#    9 GLN  HN            0 AMB  20-1:809    6.00    (#    809:20  Single Ambig)
 &rst
  ixpk= 809, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 121, 122, 121, 122,
 &end
#
#    8 LYS  HA            0 AMB  20-1:810    6.00    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 121, 122, 121, 122,
 &end
#
#    8 LYS  HE-           8 LYS  HB+         6.00    (#    811:20  Unique         2.12, 4.35 A)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 121, 122,
 &end
#
#    8 LYS  HE-           0 AMB  20-1:812    6.00    (#    812:20  Single Ambig)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 130, 131,
 igr2= 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:813      0 AMB  20-1:813    3.50    (#    813:20  Double Ambig)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 127, 128, 127, 128,
 igr2= 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:814      0 AMB  20-1:814    3.50    (#    814:20  Double Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 127, 128, 127, 128,
 igr2= 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:815      0 AMB  20-1:815    3.50    (#    815:20  Double Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 127, 128, 210, 211, 212,
 igr2= 121, 122, 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:816      0 AMB  20-1:816    3.50    (#    816:20  Double Ambig)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 127, 128, 210, 211, 212,
 igr2= 121, 122, 121, 122, 121, 122,
 &end
#
#    8 LYS  HN            8 LYS  HG+         6.00    (#    817:20  Unique         2.63, 3.92 A)
 &rst
  ixpk= 817, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 124, 125,
 &end
#
#    9 GLN  HN            8 LYS  HG+         6.00    (#    818:20  Unique         2.79, 5.11 A)
 &rst
  ixpk= 818, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    6.00    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 355, 119,
 igr2= 360, 361, 124, 125,
 &end
#
#    8 LYS  HE+           8 LYS  HG+         6.00    (#    820:20  Unique         2.03, 3.12 A)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 124, 125,
 &end
#
#   12 THR  HB            8 LYS  HD+         6.00    (#    822:20  Unique         4.35, 6.44 A)
 &rst
  ixpk= 822, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 127, 128,
 &end
#
#   12 THR  HB            8 LYS  HD-         6.00    (#    823:20  Unique         4.35, 6.44 A)
 &rst
  ixpk= 823, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 127, 128,
 &end
#
#    8 LYS  HA            8 LYS  HD-         8.00    (#    824:20  Unique         1.97, 3.58 A)
 &rst
  ixpk= 824, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 127, 128,
 &end
#
#    8 LYS  HE+           8 LYS  HD+         6.00    (#    825:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 127, 128,
 &end
#
#    8 LYS  HE+           8 LYS  HD-         6.00    (#    826:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 127, 128,
 &end
#
#    8 LYS  HE-           8 LYS  HD+         6.00    (#    827:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 127, 128,
 &end
#
#    8 LYS  HE-           8 LYS  HD-         6.00    (#    828:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:829      0 AMB  20-1:829    2.80    (#    829:20  Double Ambig)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 121, 122, 121, 122, 124, 125,
 igr2= 127, 128, 127, 128, 127, 128,
 &end
#
#    0 AMB  20-2:830      8 LYS  HD-         2.80    (#    830:20  Single Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 121, 122, 121, 122, 124, 125,
 igr2= 127, 128,
 &end
#
#    0 AMB  20-2:834      0 AMB  20-1:834    6.00    (#    834:20  Double Ambig)
 &rst
  ixpk= 834, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 226, 234, 139,
 igr2= 130, 131, 130, 131,
 &end
#
#    0 AMB  20-2:835      8 LYS  HE-         6.00    (#    835:20  Single Ambig)
 &rst
  ixpk= 835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 226, 234, 139,
 igr2= 130, 131,
 &end
#
#   12 THR  HB            8 LYS  HE+         6.00    (#    836:20  Unique         3.91, 5.35 A)
 &rst
  ixpk= 836, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 130, 131,
 &end
#
#   12 THR  HB            8 LYS  HE-         6.00    (#    837:20  Unique         3.91, 5.35 A)
 &rst
  ixpk= 837, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 130, 131,
 &end
#
#    0 AMB  20-2:839      0 AMB  20-1:839    4.50    (#    839:20  Double Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 124, 125, 121, 122, 121, 122,
 igr2= 130, 131, 130, 131, 130, 131,
 &end
#
#    0 AMB  20-2:840      8 LYS  HE-         4.50    (#    840:20  Single Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 124, 125, 121, 122,
 igr2= 130, 131,
 &end
#
#    0 AMB  20-2:841      8 LYS  HE-         3.50    (#    841:20  Single Ambig)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 127, 128, 210, 211, 212,
 igr2= 130, 131,
 &end
#
#    8 LYS  HD+           8 LYS  HE+         4.50    (#    842:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 127, 128,
 igr2= 130, 131,
 &end
#
#   12 THR  MG2           8 LYS  HE+         3.50    (#    843:20  Unique         2.61, 4.85 A)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 210, 211, 212,
 igr2= 130, 131,
 &end
#
#   39 LYS  HN           39 LYS  HB+         4.50    (#    845:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 845, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 690, 691,
 &end
#
#   10 ARG  HN           10 ARG  HB+         6.00    (#    846:20  Unique         2.65, 3.42 A)
 &rst
  ixpk= 846, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   38 TYR  HD           39 LYS  HB+         8.00    (#    848:20  Unique         4.24, 6.89 A)
 &rst
  ixpk= 848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 673, 682,
 igr2= 690, 691,
 &end
#
#   10 ARG  HA           10 ARG  HB+         6.00    (#    849:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 849, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   10 ARG  HN           10 ARG  HG-         6.00    (#    852:20  Unique         1.74, 2.51 A)
 &rst
  ixpk= 852, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 163, 164,
 &end
#
#   10 ARG  HA           10 ARG  HG+         6.00    (#    853:20  Unique         3.51, 3.72 A)
 &rst
  ixpk= 853, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 163, 164,
 &end
#
#   10 ARG  HA           10 ARG  HG-         6.00    (#    854:20  Unique         3.51, 3.72 A)
 &rst
  ixpk= 854, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 163, 164,
 &end
#
#    0 AMB  20-2:855      0 AMB  20-1:855    2.80    (#    855:20  Double Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 425, 426, 425, 426, 363, 364,
 igr2= 562, 563, 422, 423, 360, 361,
 &end
#
#    0 AMB  20-2:856      0 AMB  20-1:856    2.80    (#    856:20  Double Ambig)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1235,1236,1211,1212,1211,1212,
 igr2=1232,1233,1208,1209,1208,1209,1208,1209,
 &end
#
#    7 PHE  HB+          10 ARG  HG-         6.00    (#    857:20  Unique         3.01, 4.99 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 101, 102,
 igr2= 163, 164,
 &end
#
#    0 AMB  20-2:858     10 ARG  HG-         6.00    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 166, 167, 166, 167,
 igr2= 163, 164,
 &end
#
#   21 ARG  HE           21 ARG  HD-         6.00    (#    860:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 860, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   18 GLU  HA           21 ARG  HD-         6.00    (#    862:20  Unique         3.27, 5.01 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   21 ARG  HB+          21 ARG  HD-         3.50    (#    863:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 357, 358,
 igr2= 363, 364,
 &end
#
#   21 ARG  HB-          21 ARG  HD-         3.50    (#    864:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 357, 358,
 igr2= 363, 364,
 &end
#
#   21 ARG  HG+          21 ARG  HD-         2.80    (#    865:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 360, 361,
 igr2= 363, 364,
 &end
#
#   21 ARG  HG-          21 ARG  HD-         3.50    (#    866:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 360, 361,
 igr2= 363, 364,
 &end
#
#   17 VAL  MGX          21 ARG  HD-         6.00    (#    867:20  Unique         3.91, 7.30 A)
 &rst
  ixpk= 867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:869     21 ARG  HD-         6.00    (#    869:20  Single Ambig)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 377, 353,
 igr2= 363, 364,
 &end
#
#   14 GLU  HN           13 PHE  HA          8.00    (#    870:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 870, nxpk= 20, iat= 238, 220, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   91 VAL  HB           90 SER  HB+         6.00    (#    873:20  Unique         4.92, 5.67 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1561,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1550,1551,
 &end
#
#   14 GLU  HN           13 PHE  HB+         6.00    (#    874:20  Unique         1.99, 3.04 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 222, 223,
 &end
#
#   12 THR  HB           13 PHE  HB+         8.00    (#    875:20  Unique         3.36, 4.03 A)
 &rst
  ixpk= 875, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 222, 223,
 &end
#
#   12 THR  HA           13 PHE  HB+         8.00    (#    876:20  Unique         4.53, 5.10 A)
 &rst
  ixpk= 876, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 222, 223,
 &end
#
#   13 PHE  HA           13 PHE  HB-         4.50    (#    877:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 220,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 222, 223,
 &end
#
#    0 AMB  20-2:881      0 AMB  20-1:881    6.00    (#    881:20  Double Ambig)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 208, 628,1919,   6,
 igr2= 222, 223, 101, 102, 669, 670,
 &end
#
#   17 VAL  HN           14 GLU  HA          6.00    (#    882:20  Unique         3.51, 3.93 A)
 &rst
  ixpk= 882, nxpk= 20, iat= 294, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 GLN  HN           14 GLU  HA          8.00    (#    883:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 883, nxpk= 20, iat= 253, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   18 GLU  HN           14 GLU  HA          8.00    (#    884:20  Unique         3.98, 4.20 A)
 &rst
  ixpk= 884, nxpk= 20, iat= 310, 240, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   13 PHE  HD           14 GLU  HA          6.00    (#    885:20  Unique         2.90, 5.51 A)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 226, 234,
 &end
#
#   14 GLU  HB-          14 GLU  HA          3.50    (#    886:20  Unique         2.48, 2.76 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 242, 243,
 &end
#
#   17 VAL  MGY          14 GLU  HA          4.50    (#    887:20  Unique         3.61, 5.14 A)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   15 GLN  HN           14 GLU  HB+         6.00    (#    888:20  Unique         1.95, 2.40 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 242, 243,
 &end
#
#   15 GLN  HN           14 GLU  HB-         6.00    (#    889:20  Unique         1.95, 2.40 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 242, 243,
 &end
#
#   14 GLU  HA           14 GLU  HB+         3.50    (#    890:20  Unique         2.48, 2.76 A)
 &rst
  ixpk= 890, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 242, 243,
 &end
#
#   14 GLU  HG+          14 GLU  HB-         3.50    (#    891:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 245, 246,
 igr2= 242, 243,
 &end
#
#   14 GLU  HN           14 GLU  HG+         6.00    (#    894:20  Unique         2.32, 2.97 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 245, 246,
 &end
#
#   15 GLN  HN           14 GLU  HG+         8.00    (#    895:20  Unique         4.12, 4.39 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 245, 246,
 &end
#
#   13 PHE  HD           14 GLU  HG-         6.00    (#    897:20  Unique         2.56, 6.34 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 226, 234,
 igr2= 245, 246,
 &end
#
#   14 GLU  HA           14 GLU  HG+         6.00    (#    898:20  Unique         2.31, 2.96 A)
 &rst
  ixpk= 898, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 245, 246,
 &end
#
#   14 GLU  HA           14 GLU  HG-         3.50    (#    899:20  Unique         2.31, 2.96 A)
 &rst
  ixpk= 899, nxpk= 20, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 245, 246,
 &end
#
#   13 PHE  HB-          14 GLU  HG-         6.00    (#    902:20  Unique         3.27, 4.87 A)
 &rst
  ixpk= 902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 222, 223,
 igr2= 245, 246,
 &end
#
#   14 GLU  HB+          14 GLU  HG+         3.50    (#    907:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 242, 243,
 igr2= 245, 246,
 &end
#
#   14 GLU  HB+          14 GLU  HG-         2.80    (#    908:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 242, 243,
 igr2= 245, 246,
 &end
#
#   14 GLU  HB-          14 GLU  HG+         3.50    (#    909:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 242, 243,
 igr2= 245, 246,
 &end
#
#   14 GLU  HB-          14 GLU  HG-         3.50    (#    910:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 910, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 242, 243,
 igr2= 245, 246,
 &end
#
#    0 AMB  20-2:912     18 GLU  HA          4.50    (#    912:20  Single Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 353, 377,
 &end
#
#    0 AMB  20-2:913     18 GLU  HA          6.00    (#    913:20  Single Ambig)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 366, 337,
 &end
#
#   18 GLU  HN           18 GLU  HA          4.50    (#    914:20  Unique         2.75, 2.78 A)
 &rst
  ixpk= 914, nxpk= 20, iat= 310, 312, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:915     18 GLU  HA          6.00    (#    915:20  Single Ambig)
 &rst
  ixpk= 915, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 363, 364, 329, 330, 329, 330,
 &end
#
#   21 ARG  HD-          18 GLU  HA          8.00    (#    916:20  Unique         3.27, 5.01 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 363, 364,
 &end
#
#    0 AMB  20-2:917     18 GLU  HA          4.50    (#    917:20  Single Ambig)
 &rst
  ixpk= 917, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:918     18 GLU  HA          2.80    (#    918:20  Single Ambig)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 314, 315, 314, 315,
 &end
#
#   22 LEU  MDX          18 GLU  HA          6.00    (#    920:20  Unique         2.95, 5.39 A)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 386, 387, 388, 390, 391, 392,
 &end
#
#   17 VAL  MGX          18 GLU  HA          6.00    (#    921:20  Unique         2.79, 5.25 A)
 &rst
  ixpk= 921, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   19 ASP  HN            0 AMB  20-1:922    4.50    (#    922:20  Single Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 314, 315, 314, 315,
 &end
#
#   18 GLU  HN            0 AMB  20-1:923    2.80    (#    923:20  Single Ambig)
 &rst
  ixpk= 923, nxpk= 20, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 314, 315, 314, 315,
 &end
#
#   18 GLU  HA            0 AMB  20-1:924    2.80    (#    924:20  Single Ambig)
 &rst
  ixpk= 924, nxpk= 20, iat= 312,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 314, 315, 314, 315,
 &end
#
#   19 ASP  HA            0 AMB  20-1:925    6.00    (#    925:20  Single Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 314, 315, 314, 315,
 &end
#
#    0 AMB  20-2:927      0 AMB  20-1:927    2.80    (#    927:20  Double Ambig)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 317, 318, 317, 318, 317, 318,
 igr2= 314, 315, 314, 315, 314, 315,
 &end
#
#   17 VAL  MGX           0 AMB  20-1:928    6.00    (#    928:20  Single Ambig)
 &rst
  ixpk= 928, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 314, 315, 314, 315,
 &end
#
#   17 VAL  MGY           0 AMB  20-1:929    8.00    (#    929:20  Single Ambig)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 314, 315, 314, 315,
 &end
#
#   16 ARG  HN           16 ARG  HA          6.00    (#    930:20  Unique         2.68, 2.78 A)
 &rst
  ixpk= 930, nxpk= 20, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 ARG  HN           16 ARG  HA          8.00    (#    932:20  Unique         5.63, 6.29 A)
 &rst
  ixpk= 932, nxpk= 20, iat= 180, 272, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   43 GLN  HA           43 GLN  HB+         3.50    (#    936:20  Unique         2.25, 2.65 A)
 &rst
  ixpk= 936, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 756, 757,
 &end
#
#  109 LEU  MDY         102 GLU  HB+         2.80    (#    938:20  Unique         1.61, 4.03 A)
 &rst
  ixpk= 938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1724,1725,
 &end
#
#   69 ARG  HN            0 AMB  20-1:939    6.00    (#    939:20  Single Ambig)
 &rst
  ixpk= 939, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1208,1209,1232,1233,
 &end
#
#   49 LYS  HE+          70 ARG  HG+         8.00    (#    940:20  Unique         2.00, 4.98 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 862, 863,
 igr2=1232,1233,
 &end
#
#   68 ARG  HD-          69 ARG  HG+         8.00    (#    941:20  Unique         4.08, 6.69 A)
 &rst
  ixpk= 941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1187,1188,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:944      0 AMB  20-1:944    6.00    (#    944:20  Double Ambig)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 274, 275, 274, 275, 565, 566,
 igr2= 277, 278, 277, 278, 562, 563,
 &end
#
#   20 VAL  MGX           0 AMB  20-1:945    6.00    (#    945:20  Single Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 562, 563, 422, 423, 277, 278,
 &end
#
#   17 VAL  HN           17 VAL  HA          6.00    (#    946:20  Unique         2.80, 2.81 A)
 &rst
  ixpk= 946, nxpk= 20, iat= 294, 296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 ARG  HN           17 VAL  HA          8.00    (#    947:20  Unique         4.07, 4.37 A)
 &rst
  ixpk= 947, nxpk= 20, iat= 353, 296, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   18 GLU  HN           17 VAL  HA          6.00    (#    948:20  Unique         3.54, 3.56 A)
 &rst
  ixpk= 948, nxpk= 20, iat= 310, 296, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 VAL  MGX          17 VAL  HA          6.00    (#    951:20  Unique         3.63, 4.94 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#   17 VAL  HN           17 VAL  HB          4.50    (#    953:20  Unique         2.30, 2.37 A)
 &rst
  ixpk= 953, nxpk= 20, iat= 294, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 GLU  HN           17 VAL  HB          4.50    (#    954:20  Unique         2.32, 2.43 A)
 &rst
  ixpk= 954, nxpk= 20, iat= 310, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:956     17 VAL  HB          8.00    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 312,1786,
 &end
#
#  106 ASP  HB-          17 VAL  MGY         6.00    (#    958:20  Unique         1.85, 5.24 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1788,1789,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:960     17 VAL  MGY         6.00    (#    960:20  Single Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 314, 315, 314, 315,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   21 ARG  HN           17 VAL  MGX         6.00    (#    963:20  Unique         4.36, 6.10 A)
 &rst
  ixpk= 963, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   18 GLU  HN           17 VAL  MGX         4.50    (#    964:20  Unique         2.49, 4.22 A)
 &rst
  ixpk= 964, nxpk= 20, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:965     17 VAL  MGX         8.00    (#    965:20  Single Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1= 226, 234, 283,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   13 PHE  HE           17 VAL  MGX         6.00    (#    966:20  Unique         2.03, 6.32 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 228, 232,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:967     17 VAL  MGX         6.00    (#    967:20  Single Ambig)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 317, 318, 317, 318,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:968     17 VAL  MGX         4.50    (#    968:20  Single Ambig)
 &rst
  ixpk= 968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 314, 315, 314, 315,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:970     17 VAL  MGX         2.80    (#    970:20  Single Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 298, 360, 361,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   99 TYR  HN            0 AMB  20-1:972    6.00    (#    972:20  Single Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1698,1699,1698,1699,
 &end
#
#   99 TYR  HD            0 AMB  20-1:974    6.00    (#    974:20  Single Ambig)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1681,1690,
 igr2=1698,1699,1698,1699,
 &end
#
#  101 SER  HA            0 AMB  20-1:975    6.00    (#    975:20  Single Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=1711,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1698,1699,1698,1699,
 &end
#
#    0 AMB  20-2:976      0 AMB  20-1:976    2.80    (#    976:20  Double Ambig)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1701,1702,1701,1702,1701,1702,
 igr2=1698,1699,1698,1699,1698,1699,
 &end
#
#    0 AMB  20-2:977      0 AMB  20-1:977    6.00    (#    977:20  Double Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1= 386, 387, 388, 390, 391, 392, 402, 403, 404,
 igr2= 443, 444, 443, 444, 443, 444,
 &end
#
#   18 GLU  HN            0 AMB  20-1:978    4.50    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:979      0 AMB  20-1:979    8.00    (#    979:20  Double Ambig)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 377, 353,
 igr2= 317, 318, 317, 318, 317, 318,
 &end
#
#   99 TYR  HD            0 AMB  20-1:980    6.00    (#    980:20  Single Ambig)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1681,1690,
 igr2=1701,1702,1701,1702,
 &end
#
#  100 GLU  HA            0 AMB  20-1:981    3.50    (#    981:20  Single Ambig)
 &rst
  ixpk= 981, nxpk= 20, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1701,1702,1701,1702,
 &end
#
#    0 AMB  20-2:983      0 AMB  20-1:983    2.80    (#    983:20  Double Ambig)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1698,1699,1698,1699,1698,1699,
 igr2=1701,1702,1701,1702,1701,1702,
 &end
#
#    0 AMB  20-2:984      0 AMB  20-1:984    2.80    (#    984:20  Double Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 314, 315, 314, 315, 314, 315,1346,1347,
 igr2= 317, 318, 317, 318, 317, 318,1349,1350,
 &end
#
#    0 AMB  20-2:985      0 AMB  20-1:985    4.50    (#    985:20  Double Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 298, 384, 274, 275,
 igr2= 317, 318, 317, 318, 317, 318, 317, 318,
 &end
#
#   22 LEU  MDX           0 AMB  20-1:986    3.50    (#    986:20  Single Ambig)
 &rst
  ixpk= 986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 317, 318, 317, 318,
 &end
#
#   17 VAL  MGX           0 AMB  20-1:987    6.00    (#    987:20  Single Ambig)
 &rst
  ixpk= 987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 317, 318, 317, 318,
 &end
#
#  103 LYS  HD-           0 AMB  20-1:988    8.00    (#    988:20  Single Ambig)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1745,1746,
 igr2=1701,1702,1701,1702,
 &end
#
#  127 ASP  HN           19 ASP  HA          6.00    (#    990:20  Unique         2.79, 3.83 A)
 &rst
  ixpk= 990, nxpk= 20, iat=2097, 327, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:993     19 ASP  HA          3.50    (#    993:20  Single Ambig)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 329, 330, 329, 330,
 &end
#
#    0 AMB  20-2:994     19 ASP  HA          6.00    (#    994:20  Single Ambig)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 384, 400,
 &end
#
#   22 LEU  HB-          19 ASP  HA          6.00    (#    995:20  Unique         4.46, 5.33 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 381, 382,
 &end
#
#   22 LEU  MDX          19 ASP  HA          4.50    (#    996:20  Unique         1.72, 3.53 A)
 &rst
  ixpk= 996, nxpk= 20, iat=  -1, 327, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 386, 387, 388, 390, 391, 392,
 &end
#
#   19 ASP  HN            0 AMB  20-1:997    3.50    (#    997:20  Single Ambig)
 &rst
  ixpk= 997, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 329, 330, 329, 330,
 &end
#
#   20 VAL  HN            0 AMB  20-1:998    4.50    (#    998:20  Single Ambig)
 &rst
  ixpk= 998, nxpk= 20, iat= 337,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 329, 330, 329, 330,
 &end
#
#   18 GLU  HN            0 AMB  20-1:999    6.00    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat= 310,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 329, 330, 329, 330,
 &end
#
#   19 ASP  HA            0 AMB  20-1:1001   4.50    (#   1001:20  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 20, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 329, 330, 329, 330,
 &end
#
#   16 ARG  HA            0 AMB  20-1:1002   6.00    (#   1002:20  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 329, 330, 329, 330,
 &end
#
#    0 AMB  20-2:1004     0 AMB  20-1:1004   6.00    (#   1004:20  Double Ambig)
 &rst
  ixpk= 1004, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 314, 315, 314, 315, 314, 315,
 igr2= 329, 330, 329, 330, 329, 330,
 &end
#
#   20 VAL  MGX           0 AMB  20-1:1005   6.00    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 329, 330, 329, 330,
 &end
#
#   24 ARG  HN           20 VAL  HA          8.00    (#   1006:20  Unique         3.63, 3.76 A)
 &rst
  ixpk= 1006, nxpk= 20, iat= 415, 339, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:1007    20 VAL  HA          6.00    (#   1007:20  Single Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 353, 377,
 &end
#
#   20 VAL  HN           20 VAL  HA          6.00    (#   1008:20  Unique         2.76, 2.84 A)
 &rst
  ixpk= 1008, nxpk= 20, iat= 337, 339, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  HA            0 AMB  20-1:1010   6.00    (#   1010:20  Single Ambig)
 &rst
  ixpk= 1010, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 341, 274, 275,
 &end
#
#  108 PHE  HN           20 VAL  MGX         6.00    (#   1011:20  Unique         3.43, 5.85 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   24 ARG  HN           20 VAL  MGY         6.00    (#   1012:20  Unique         4.21, 5.77 A)
 &rst
  ixpk= 1012, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   23 ILE  HN           20 VAL  MGY         8.00    (#   1013:20  Unique         5.29, 6.47 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   21 ARG  HN           20 VAL  MGY         6.00    (#   1015:20  Unique         3.21, 4.78 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  129 TYR  HH           20 VAL  MGX         8.00    (#   1017:20  Unique         3.37, 5.76 A)
 &rst
  ixpk= 1017, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  108 PHE  HA           20 VAL  MGX         6.00    (#   1019:20  Unique         3.49, 5.75 A)
 &rst
  ixpk= 1019, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  107 GLY  HA+          20 VAL  MGY         4.50    (#   1020:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1798,1799,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1021    20 VAL  MGX         8.00    (#   1021:20  Single Ambig)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1786, 312,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   17 VAL  HA           20 VAL  MGX         6.00    (#   1022:20  Unique         3.63, 4.94 A)
 &rst
  ixpk= 1022, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   21 ARG  HA           20 VAL  MGY         6.00    (#   1023:20  Unique         3.10, 5.54 A)
 &rst
  ixpk= 1023, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   32 PRO  HD+          20 VAL  MGX         8.00    (#   1024:20  Unique         3.29, 5.59 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 559, 560,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1025    20 VAL  MGY         3.50    (#   1025:20  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 339, 329, 330, 329, 330,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   16 ARG  HD-          20 VAL  MGY         6.00    (#   1026:20  Unique         2.05, 5.83 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 280, 281,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   32 PRO  HB+          20 VAL  MGX         6.00    (#   1027:20  Unique         1.77, 3.66 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 565, 566,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1028    20 VAL  MGX         6.00    (#   1028:20  Single Ambig)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 419, 420, 357, 358,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1029    20 VAL  MGX         4.50    (#   1029:20  Single Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 562, 563, 422, 423,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1030    20 VAL  MGY         2.80    (#   1030:20  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 565, 566, 341,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  20-2:1031    20 VAL  MGY         3.50    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 562, 563, 422, 423,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    4 GLU  HN            4 GLU  HB-         6.00    (#   1034:20  Unique         2.62, 3.38 A)
 &rst
  ixpk= 1034, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  50,  51,
 &end
#
#   70 ARG  HN            0 AMB  20-1:1035   2.80    (#   1035:20  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1229,1230,1229,1230,1205,1206,
 &end
#
#    0 AMB  20-2:1036     0 AMB  20-1:1036   6.00    (#   1036:20  Double Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1= 300, 301, 302, 304, 305, 306,1164,1165,1166,
 igr2= 357, 358,1229,1230,1229,1230,
 &end
#
#    0 AMB  20-2:1037     0 AMB  20-1:1037   8.00    (#   1037:20  Double Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1249,1268,
 igr2=1232,1233,1208,1209,
 &end
#
#   69 ARG  HN           69 ARG  HG-         6.00    (#   1039:20  Unique         2.59, 4.18 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1040     0 AMB  20-1:1040   6.00    (#   1040:20  Double Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1238,1214,
 igr2=1232,1233,1208,1209,
 &end
#
#   69 ARG  HA           69 ARG  HG-         4.50    (#   1041:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1208,1209,
 &end
#
#   72 GLN  HA           69 ARG  HG-         8.00    (#   1042:20  Unique         4.54, 6.35 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1208,1209,
 &end
#
#   66 ILE  HA            0 AMB  20-1:1043   6.00    (#   1043:20  Single Ambig)
 &rst
  ixpk= 1043, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1208,1209,1232,1233,
 &end
#
#    1 MET  HA            0 AMB  20-1:1046   4.50    (#   1046:20  Single Ambig)
 &rst
  ixpk= 1046, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 166, 167, 166, 167,
 &end
#
#   69 ARG  HA            0 AMB  20-1:1048   4.50    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=1203,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1211,1212,1211,1212,
 &end
#
#    0 AMB  20-2:1050     0 AMB  20-1:1050   2.80    (#   1050:20  Double Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 898, 899, 160, 161, 160, 161,1205,1206,1229,1230,
      1229,1230,
 igr2= 166, 167, 166, 167, 166, 167,1211,1212,1211,1212,
      1235,1236,
 &end
#
#    0 AMB  20-2:1051     0 AMB  20-1:1051   2.80    (#   1051:20  Double Ambig)
 &rst
  ixpk= 1051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1= 160, 161,1232,1233,1208,1209,1181,1182,
 igr2= 166, 167, 166, 167,1235,1236,1211,1212,1211,1212,
      1211,1212,
 &end
#
#    0 AMB  20-2:1052     0 AMB  20-1:1052   2.80    (#   1052:20  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1232,1233,1208,1209,1208,1209,1208,1209,
 igr2=1235,1236,1211,1212,1211,1212,
 &end
#
#   23 ILE  HN           22 LEU  HA          6.00    (#   1053:20  Unique         3.39, 3.48 A)
 &rst
  ixpk= 1053, nxpk= 20, iat= 396, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 LEU  HN           22 LEU  HA          4.50    (#   1054:20  Unique         2.78, 2.81 A)
 &rst
  ixpk= 1054, nxpk= 20, iat= 377, 379, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLU  HN           22 LEU  HA          6.00    (#   1055:20  Unique         3.11, 3.40 A)
 &rst
  ixpk= 1055, nxpk= 20, iat= 439, 379, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1056    22 LEU  HA          4.50    (#   1056:20  Single Ambig)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 443, 444, 443, 444,
 &end
#
#    0 AMB  20-2:1057    22 LEU  HA          3.50    (#   1057:20  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 386, 387, 388, 390, 391, 392, 402, 403, 404,
 &end
#
#    0 AMB  20-2:1058    22 LEU  HB-         6.00    (#   1058:20  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 396,2097,
 igr2= 381, 382,
 &end
#
#   26 GLN  HE2-         22 LEU  HB-         8.00    (#   1059:20  Unique         3.00, 5.75 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 466, 467,
 igr2= 381, 382,
 &end
#
#   19 ASP  HA           22 LEU  HB+         6.00    (#   1060:20  Unique         4.46, 5.33 A)
 &rst
  ixpk= 1060, nxpk= 20, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 381, 382,
 &end
#
#   19 ASP  HA           22 LEU  HB-         6.00    (#   1061:20  Unique         4.46, 5.33 A)
 &rst
  ixpk= 1061, nxpk= 20, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 381, 382,
 &end
#
#    0 AMB  20-2:1062    22 LEU  HB-         6.00    (#   1062:20  Single Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 443, 444, 443, 444,
 igr2= 381, 382,
 &end
#
#   22 LEU  HG           22 LEU  HB+         3.50    (#   1064:20  Unique         2.26, 2.57 A)
 &rst
  ixpk= 1064, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 381, 382,
 &end
#
#   22 LEU  HG           22 LEU  HB-         2.80    (#   1065:20  Unique         2.26, 2.57 A)
 &rst
  ixpk= 1065, nxpk= 20, iat= 384,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 381, 382,
 &end
#
#   23 ILE  HN           22 LEU  HG          8.00    (#   1066:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 1066, nxpk= 20, iat= 396, 384, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   22 LEU  HN           22 LEU  HG          3.50    (#   1067:20  Unique         1.88, 3.02 A)
 &rst
  ixpk= 1067, nxpk= 20, iat= 377, 384, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1068     0 AMB  20-1:1068   8.00    (#   1068:20  Double Ambig)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 327, 206,
 igr2= 384, 124, 125,
 &end
#
#    0 AMB  20-2:1069    22 LEU  HG          4.50    (#   1069:20  Single Ambig)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 379, 398,
 &end
#
#   26 GLN  HG+          22 LEU  HG          6.00    (#   1070:20  Unique         5.12, 6.67 A)
 &rst
  ixpk= 1070, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 461, 462,
 &end
#
#    0 AMB  20-2:1071    22 LEU  HG          6.00    (#   1071:20  Single Ambig)
 &rst
  ixpk= 1071, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 317, 318, 317, 318,
 &end
#
#   22 LEU  HB+          22 LEU  HG          2.80    (#   1072:20  Unique         2.26, 2.57 A)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1, 384, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 381, 382,
 &end
#
#   22 LEU  HN           22 LEU  MDX         6.00    (#   1073:20  Unique         1.40, 3.34 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   26 GLN  HE2+         22 LEU  MDX         6.00    (#   1074:20  Unique         2.25, 6.07 A)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 466, 467,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:1078    22 LEU  MDX         3.50    (#   1078:20  Single Ambig)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 317, 318, 317, 318,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:1080    22 LEU  MDX         2.80    (#   1080:20  Single Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 384, 400,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   22 LEU  HB-          22 LEU  MDX         2.80    (#   1081:20  Unique         2.32, 3.38 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 381, 382,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   22 LEU  HA           22 LEU  MDY         4.50    (#   1082:20  Unique         3.54, 4.43 A)
 &rst
  ixpk= 1082, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:1083    22 LEU  MDY         4.50    (#   1083:20  Single Ambig)
 &rst
  ixpk= 1083, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 357, 358, 381, 382,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   22 LEU  HB-          22 LEU  MDY         3.50    (#   1084:20  Unique         2.32, 3.38 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 381, 382,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   24 ARG  HN           23 ILE  HA          6.00    (#   1085:20  Unique         3.52, 3.53 A)
 &rst
  ixpk= 1085, nxpk= 20, iat= 415, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1086     0 AMB  20-1:1086   6.00    (#   1086:20  Double Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 454,1031,1032,
 igr2= 398,1055,
 &end
#
#   27 HIS  HD2          23 ILE  HA          6.00    (#   1087:20  Unique         3.46, 4.08 A)
 &rst
  ixpk= 1087, nxpk= 20, iat= 485, 398, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HG-          23 ILE  HA          6.00    (#   1088:20  Unique         1.97, 2.77 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 461, 462,
 &end
#
#    0 AMB  20-2:1089    61 SER  HA          6.00    (#   1089:20  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1040,1041,1561,
 &end
#
#   64 ILE  HB           61 SER  HA          3.50    (#   1090:20  Unique         2.19, 2.60 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=1102,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1091    23 ILE  HA          4.50    (#   1091:20  Single Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 400, 458, 459,
 &end
#
#    0 AMB  20-2:1092     0 AMB  20-1:1092   6.00    (#   1092:20  Double Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1124,1125, 381, 382,
 igr2=1055, 398,
 &end
#
#   23 ILE  HG1-         23 ILE  HA          6.00    (#   1093:20  Unique         2.05, 2.73 A)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 406, 407,
 &end
#
#    0 AMB  20-2:1094     0 AMB  20-1:1094   3.50    (#   1094:20  Double Ambig)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 386, 387, 388, 390, 391, 392,1104,1105,1106,
 igr2= 398,1055,
 &end
#
#   23 ILE  QD1          23 ILE  HA          3.50    (#   1095:20  Unique         2.15, 3.95 A)
 &rst
  ixpk= 1095, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 409, 410, 411,
 &end
#
#   23 ILE  HG1+         23 ILE  HA          6.00    (#   1096:20  Unique         2.05, 2.73 A)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1, 398, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 406, 407,
 &end
#
#    0 AMB  20-2:1098     0 AMB  20-1:1098   6.00    (#   1098:20  Double Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1631, 471,1079,
 igr2=1616, 543, 400,
 &end
#
#   97 GLU  HN           95 ILE  HB          8.00    (#   1099:20  Unique         5.91, 6.24 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=1642,1616, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:1100     0 AMB  20-1:1100   6.00    (#   1100:20  Double Ambig)
 &rst
  ixpk= 1100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1038,1608, 972,
 igr2=1616, 543,
 &end
#
#   23 ILE  HA           23 ILE  HB          4.50    (#   1101:20  Unique         2.57, 2.60 A)
 &rst
  ixpk= 1101, nxpk= 20, iat= 398, 400, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:1102     0 AMB  20-1:1102   8.00    (#   1102:20  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 980, 981, 461, 462,
 igr2= 543, 400,
 &end
#
#    0 AMB  20-2:1103     0 AMB  20-1:1103   3.50    (#   1103:20  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 950, 381, 382,
 igr2= 543,1616, 400,
 &end
#
#    0 AMB  20-2:1104     0 AMB  20-1:1104   4.50    (#   1104:20  Double Ambig)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1622,1623,1622,1623,
 igr2=1616, 543,
 &end
#
#    0 AMB  20-2:1105     0 AMB  20-1:1105   2.80    (#   1105:20  Double Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1618,1619,1620, 402, 403, 404, 386, 387, 388, 390,
       391, 392,
 igr2= 543,1616, 400,
 &end
#
#    0 AMB  20-2:1106     0 AMB  20-1:1106   2.80    (#   1106:20  Double Ambig)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.44, r4= 5.94,
 igr1=1088,1089,1090,1092,1093,1094, 409, 410, 411,1625,
      1626,1627,1012,1013,1014,1016,1017,1018,
 igr2=1616, 400, 543,
 &end
#
#   23 ILE  HA           23 ILE  HG1+        6.00    (#   1107:20  Unique         2.05, 2.73 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 406, 407,
 &end
#
#   23 ILE  HB           23 ILE  HG1+        6.00    (#   1108:20  Unique         2.21, 2.60 A)
 &rst
  ixpk= 1108, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 406, 407,
 &end
#
#   53 LEU  MDX          23 ILE  HG1+        6.00    (#   1111:20  Unique         2.52, 5.70 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 406, 407,
 &end
#
#   24 ARG  HN           23 ILE  QD1         8.00    (#   1112:20  Unique         4.21, 5.35 A)
 &rst
  ixpk= 1112, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:1113    23 ILE  QD1         6.00    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2097, 396,
 igr2= 409, 410, 411,
 &end
#
#   26 GLN  HN           23 ILE  QD1         6.00    (#   1114:20  Unique         5.06, 6.87 A)
 &rst
  ixpk= 1114, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 409, 410, 411,
 &end
#
#   25 GLU  HN           23 ILE  QD1         8.00    (#   1115:20  Unique         5.42, 6.99 A)
 &rst
  ixpk= 1115, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:1117    23 ILE  QD1         4.50    (#   1117:20  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 466, 467,2133,
 igr2= 409, 410, 411,
 &end
#
#   27 HIS  HD2          23 ILE  QD1         4.50    (#   1118:20  Unique         2.26, 3.94 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 409, 410, 411,
 &end
#
#   23 ILE  HA           23 ILE  QD1         3.50    (#   1120:20  Unique         2.15, 3.95 A)
 &rst
  ixpk= 1120, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:1121    23 ILE  QD1         6.00    (#   1121:20  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 339, 329, 330, 329, 330,
 igr2= 409, 410, 411,
 &end
#
#   26 GLN  HG-          23 ILE  QD1         6.00    (#   1123:20  Unique         3.29, 5.63 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 461, 462,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:1124    23 ILE  QD1         6.00    (#   1124:20  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 458, 459, 419, 420,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:1125    23 ILE  QD1         3.50    (#   1125:20  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 400, 565, 566,
 igr2= 409, 410, 411,
 &end
#
#   23 ILE  HG1+         23 ILE  QD1         2.80    (#   1126:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 406, 407,
 igr2= 409, 410, 411,
 &end
#
#   53 LEU  MDX          23 ILE  QD1         4.50    (#   1127:20  Unique         2.34, 4.94 A)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 409, 410, 411,
 &end
#
#   24 ARG  HN           23 ILE  QG2         4.50    (#   1128:20  Unique         2.04, 2.78 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 402, 403, 404,
 &end
#
#   23 ILE  HN           23 ILE  QG2         4.50    (#   1129:20  Unique         2.39, 3.39 A)
 &rst
  ixpk= 1129, nxpk= 20, iat= 396,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 402, 403, 404,
 &end
#
#    0 AMB  20-2:1130    23 ILE  QG2         6.00    (#   1130:20  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 353, 377,
 igr2= 402, 403, 404,
 &end
#
#   25 GLU  HN           23 ILE  QG2         6.00    (#   1131:20  Unique         4.42, 5.09 A)
 &rst
  ixpk= 1131, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 402, 403, 404,
 &end
#
#  129 TYR  HH           23 ILE  QG2         6.00    (#   1132:20  Unique         2.36, 4.44 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 402, 403, 404,
 &end
#
#    0 AMB  20-2:1133    23 ILE  QG2         6.00    (#   1133:20  Single Ambig)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 398, 379, 541,
 igr2= 402, 403, 404,
 &end
#
#   32 PRO  HD+          23 ILE  QG2         8.00    (#   1134:20  Unique         4.04, 6.04 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 559, 560,
 igr2= 402, 403, 404,
 &end
#
#   20 VAL  HA           23 ILE  QG2         3.50    (#   1135:20  Unique         1.77, 2.36 A)
 &rst
  ixpk= 1135, nxpk= 20, iat= 339,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 402, 403, 404,
 &end
#
#   24 ARG  HD-          23 ILE  QG2         8.00    (#   1136:20  Unique         3.36, 5.10 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 425, 426,
 igr2= 402, 403, 404,
 &end
#
#   23 ILE  QD1          23 ILE  QG2         3.50    (#   1137:20  Unique         1.95, 3.66 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 409, 410, 411,
 igr2= 402, 403, 404,
 &end
#
#   53 LEU  MDY          23 ILE  QG2         3.50    (#   1138:20  Unique         2.77, 5.49 A)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 402, 403, 404,
 &end
#
#   23 ILE  HN           24 ARG  HA          6.00    (#   1139:20  Unique         5.03, 5.22 A)
 &rst
  ixpk= 1139, nxpk= 20, iat= 396, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 HIS  HN           24 ARG  HA          6.00    (#   1140:20  Unique         2.91, 3.49 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 471, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLU  HN           24 ARG  HA          6.00    (#   1141:20  Unique         3.41, 3.48 A)
 &rst
  ixpk= 1141, nxpk= 20, iat= 439, 417, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ARG  HD+          24 ARG  HA          4.50    (#   1142:20  Unique         1.95, 3.04 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 425, 426,
 &end
#
#   24 ARG  HD-          24 ARG  HA          6.00    (#   1143:20  Unique         1.95, 3.04 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 425, 426,
 &end
#
#   27 HIS  HB+          24 ARG  HA          8.00    (#   1144:20  Unique         3.08, 4.66 A)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 475, 476,
 &end
#
#   24 ARG  HB+          24 ARG  HA          3.50    (#   1145:20  Unique         2.55, 2.79 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 419, 420,
 &end
#
#   23 ILE  QG2          24 ARG  HA          6.00    (#   1146:20  Unique         2.94, 3.94 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1, 417, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 402, 403, 404,
 &end
#
#   24 ARG  HN           24 ARG  HB+         6.00    (#   1147:20  Unique         2.19, 2.88 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   24 ARG  HN           24 ARG  HB-         6.00    (#   1148:20  Unique         2.19, 2.88 A)
 &rst
  ixpk= 1148, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   25 GLU  HN           24 ARG  HB+         6.00    (#   1149:20  Unique         2.60, 3.31 A)
 &rst
  ixpk= 1149, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 419, 420,
 &end
#
#   28 PRO  HA           24 ARG  HB-         8.00    (#   1150:20  Unique         3.57, 4.82 A)
 &rst
  ixpk= 1150, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 419, 420,
 &end
#
#    0 AMB  20-2:1151     0 AMB  20-1:1151   4.50    (#   1151:20  Double Ambig)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 417, 255, 441,
 igr2= 419, 420, 242, 243, 419, 420,
 &end
#
#   24 ARG  HD+          24 ARG  HB-         6.00    (#   1152:20  Unique         1.99, 3.46 A)
 &rst
  ixpk= 1152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 419, 420,
 &end
#
#   24 ARG  HD+          24 ARG  HB+         8.00    (#   1153:20  Unique         1.99, 3.46 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 425, 426,
 igr2= 419, 420,
 &end
#
#   24 ARG  HD-          24 ARG  HB+         6.00    (#   1154:20  Unique         1.99, 3.46 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 419, 420,
 &end
#
#   24 ARG  HD-          24 ARG  HB-         6.00    (#   1155:20  Unique         1.99, 3.46 A)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 419, 420,
 &end
#
#   24 ARG  HG-          24 ARG  HB+         4.50    (#   1158:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 1158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 423,
 igr2= 419, 420,
 &end
#
#   66 ILE  QG2          66 ILE  HG1-        4.50    (#   1161:20  Unique         2.31, 3.58 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1145,1146,1147,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:1162     0 AMB  20-1:1162   2.80    (#   1162:20  Double Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1152,1153,1154, 343, 344, 345, 347, 348, 349,
 igr2=1149,1150, 419, 420,
 &end
#
#   24 ARG  HN           24 ARG  HG+         6.00    (#   1163:20  Unique         2.74, 3.31 A)
 &rst
  ixpk= 1163, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 422, 423,
 &end
#
#   24 ARG  HA           24 ARG  HG+         6.00    (#   1165:20  Unique         2.27, 3.09 A)
 &rst
  ixpk= 1165, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 422, 423,
 &end
#
#    0 AMB  20-2:1166     0 AMB  20-1:1166   6.00    (#   1166:20  Double Ambig)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 425, 426, 559, 560,
 igr2= 422, 423, 422, 423,
 &end
#
#   24 ARG  HD-          24 ARG  HG+         6.00    (#   1167:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 422, 423,
 &end
#
#   23 ILE  QG2          24 ARG  HG+         6.00    (#   1169:20  Unique         2.18, 3.68 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 402, 403, 404,
 igr2= 422, 423,
 &end
#
#   20 VAL  MGY          24 ARG  HG+         6.00    (#   1170:20  Unique         2.11, 4.41 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 422, 423,
 &end
#
#    0 AMB  20-2:1174     0 AMB  20-1:1174   2.80    (#   1174:20  Double Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 439,1642,
 igr2= 443, 444, 443, 444,1646,1647,1646,1647,
 &end
#
#   97 GLU  HA            0 AMB  20-1:1175   2.80    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1698,1699,1698,1699,1646,1647,
 &end
#
#    0 AMB  20-2:1176     0 AMB  20-1:1176   2.80    (#   1176:20  Double Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1= 441,1635,1636,1635,1636,
 igr2= 443, 444, 443, 444,1646,1647,1646,1647,
 &end
#
#  100 GLU  HA            0 AMB  20-1:1177   2.80    (#   1177:20  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1698,1699,1698,1699,
 &end
#
#   93 THR  MG2          97 GLU  HB+         2.80    (#   1179:20  Unique         2.31, 4.23 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1590,1591,1592,
 igr2=1646,1647,
 &end
#
#   98 VAL  MGY           0 AMB  20-1:1180   4.50    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1663,1664,1665,1667,1668,1669,
 igr2=1646,1647,1646,1647,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   8.00    (#   1183:20  Double Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1= 471,1098,1158,
 igr2= 446, 447,1071,1072,1071,1072,
 &end
#
#    0 AMB  20-2:1184     0 AMB  20-1:1184   6.00    (#   1184:20  Double Ambig)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 439,1117,1006,
 igr2= 446, 447,1071,1072,1071,1072,
 &end
#
#   97 GLU  HN           97 GLU  HG+         4.50    (#   1185:20  Unique         4.40, 4.47 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1649,1650,
 &end
#
#   97 GLU  HA           97 GLU  HG+         4.50    (#   1186:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=1644,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1649,1650,
 &end
#
#   94 PRO  HD+          97 GLU  HG+         6.00    (#   1187:20  Unique         4.51, 7.01 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1599,1600,
 igr2=1649,1650,
 &end
#
#    0 AMB  20-2:1189     0 AMB  20-1:1189   6.00    (#   1189:20  Double Ambig)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1659,1599,1600,1588,
 igr2=1649,1650,1649,1650,1649,1650,
 &end
#
#    0 AMB  20-2:1190     0 AMB  20-1:1190   2.80    (#   1190:20  Double Ambig)
 &rst
  ixpk= 1190, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1646,1647,1646,1647,1698,1699,
 igr2=1649,1650,1649,1650,1649,1650,
 &end
#
#   93 THR  MG2          97 GLU  HG+         6.00    (#   1192:20  Unique         2.92, 5.20 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1590,1591,1592,
 igr2=1649,1650,
 &end
#
#    0 AMB  20-2:1194     0 AMB  20-1:1194   6.00    (#   1194:20  Double Ambig)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2=1071,1072,1071,1072,
 &end
#
#    0 AMB  20-2:1195     0 AMB  20-1:1195   3.50    (#   1195:20  Double Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 471,1098,
 igr2= 456,1081,
 &end
#
#   66 ILE  HN           63 LEU  HA          6.00    (#   1196:20  Unique         3.53, 3.80 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=1139,1081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1197     0 AMB  20-1:1197   6.00    (#   1197:20  Double Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1117, 439,
 igr2=1081, 456,
 &end
#
#   27 HIS  HD2          26 GLN  HA          8.00    (#   1198:20  Unique         5.28, 6.72 A)
 &rst
  ixpk= 1198, nxpk= 20, iat= 485, 456, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   28 PRO  HD-          26 GLN  HA          6.00    (#   1201:20  Unique         3.54, 4.29 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 490, 491,
 &end
#
#    0 AMB  20-2:1202     0 AMB  20-1:1202   4.50    (#   1202:20  Double Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1071,1072, 461, 462, 446, 447,
 igr2=1081, 456,
 &end
#
#   62 GLU  HG-          63 LEU  HA          6.00    (#   1203:20  Unique         3.32, 4.37 A)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1071,1072,
 &end
#
#   26 GLN  HB-          26 GLN  HA          2.80    (#   1204:20  Unique         2.30, 2.43 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1, 456, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 458, 459,
 &end
#
#    0 AMB  20-2:1205    63 LEU  HA          6.00    (#   1205:20  Single Ambig)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1162,2176,2177,1124,1125,
 &end
#
#   63 LEU  HG           63 LEU  HA          6.00    (#   1206:20  Unique         2.39, 3.40 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=1086,1081, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1207    63 LEU  HA          4.50    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1083,1084,1168,1169,
 &end
#
#    0 AMB  20-2:1208    63 LEU  HA          6.00    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1149,1150,2181,2182,2183,2185,2186,2187,
 &end
#
#    0 AMB  20-2:1209    63 LEU  HA          2.80    (#   1209:20  Single Ambig)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,
 &end
#
#    0 AMB  20-2:1210    63 LEU  HA          2.80    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1=1088,1089,1090,1092,1093,1094,1152,1153,1154,1012,
      1013,1014,1016,1017,1018,
 &end
#
#   67 ILE  QG2          63 LEU  HA          8.00    (#   1211:20  Unique         4.65, 6.32 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1,1081, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1164,1165,1166,
 &end
#
#   77 GLN  HE2+         77 GLN  HB-         4.50    (#   1212:20  Unique         2.03, 3.94 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1354,1355,
 igr2=1346,1347,
 &end
#
#   27 HIS  HN           26 GLN  HB-         6.00    (#   1213:20  Unique         3.17, 3.96 A)
 &rst
  ixpk= 1213, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 458, 459,
 &end
#
#    0 AMB  20-2:1214     0 AMB  20-1:1214   6.00    (#   1214:20  Double Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 366, 337,
 igr2= 357, 358, 357, 358,
 &end
#
#   26 GLN  HN           26 GLN  HB+         3.50    (#   1215:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 1215, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 458, 459,
 &end
#
#   27 HIS  HD2          26 GLN  HB-         6.00    (#   1216:20  Unique         3.58, 5.74 A)
 &rst
  ixpk= 1216, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 458, 459,
 &end
#
#   26 GLN  HA           26 GLN  HB+         3.50    (#   1217:20  Unique         2.30, 2.43 A)
 &rst
  ixpk= 1217, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 458, 459,
 &end
#
#   26 GLN  HA           26 GLN  HB-         3.50    (#   1218:20  Unique         2.30, 2.43 A)
 &rst
  ixpk= 1218, nxpk= 20, iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 458, 459,
 &end
#
#   23 ILE  QD1          26 GLN  HB-         6.00    (#   1220:20  Unique         5.41, 7.81 A)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 409, 410, 411,
 igr2= 458, 459,
 &end
#
#   27 HIS  HN           26 GLN  HG-         8.00    (#   1221:20  Unique         1.85, 2.71 A)
 &rst
  ixpk= 1221, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 461, 462,
 &end
#
#   26 GLN  HE2-         26 GLN  HG-         6.00    (#   1222:20  Unique         2.16, 3.22 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 466, 467,
 igr2= 461, 462,
 &end
#
#   27 HIS  HD2          26 GLN  HG-         8.00    (#   1223:20  Unique         1.91, 3.81 A)
 &rst
  ixpk= 1223, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 461, 462,
 &end
#
#   26 GLN  HB+          26 GLN  HG-         2.80    (#   1224:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 458, 459,
 igr2= 461, 462,
 &end
#
#   26 GLN  HB-          26 GLN  HG-         3.50    (#   1225:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 458, 459,
 igr2= 461, 462,
 &end
#
#   27 HIS  HN           27 HIS  HB+         6.00    (#   1227:20  Unique         2.63, 3.30 A)
 &rst
  ixpk= 1227, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 475, 476,
 &end
#
#   27 HIS  HN           27 HIS  HB-         6.00    (#   1228:20  Unique         2.63, 3.30 A)
 &rst
  ixpk= 1228, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 475, 476,
 &end
#
#   27 HIS  HD2          27 HIS  HB+         8.00    (#   1229:20  Unique         2.70, 3.12 A)
 &rst
  ixpk= 1229, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 475, 476,
 &end
#
#   27 HIS  HD2          27 HIS  HB-         8.00    (#   1230:20  Unique         2.70, 3.12 A)
 &rst
  ixpk= 1230, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 475, 476,
 &end
#
#   27 HIS  HA           27 HIS  HB+         6.00    (#   1231:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1231, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 475, 476,
 &end
#
#   27 HIS  HA           27 HIS  HB-         6.00    (#   1232:20  Unique         2.33, 2.68 A)
 &rst
  ixpk= 1232, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 475, 476,
 &end
#
#   28 PRO  HD+          27 HIS  HB-         8.00    (#   1233:20  Unique         3.60, 4.71 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 490, 491,
 igr2= 475, 476,
 &end
#
#   30 LYS  HB+          27 HIS  HB-         6.00    (#   1238:20  Unique         2.63, 4.08 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 521, 522,
 igr2= 475, 476,
 &end
#
#   29 THR  MG2          27 HIS  HB+         6.00    (#   1239:20  Unique         4.61, 7.16 A)
 &rst
  ixpk= 1239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 509, 510, 511,
 igr2= 475, 476,
 &end
#
#   30 LYS  HB-          27 HIS  HB-         6.00    (#   1240:20  Unique         2.63, 4.08 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 521, 522,
 igr2= 475, 476,
 &end
#
#   23 ILE  QG2          27 HIS  HB+         8.00    (#   1241:20  Unique         4.00, 6.21 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 402, 403, 404,
 igr2= 475, 476,
 &end
#
#   23 ILE  QG2          27 HIS  HB-         8.00    (#   1242:20  Unique         4.00, 6.21 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 402, 403, 404,
 igr2= 475, 476,
 &end
#
#   53 LEU  MDY          27 HIS  HB+         8.00    (#   1243:20  Unique         5.48, 7.76 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 475, 476,
 &end
#
#   53 LEU  MDY          27 HIS  HB-         8.00    (#   1244:20  Unique         5.48, 7.76 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 475, 476,
 &end
#
#   28 PRO  HB+          28 PRO  HA          6.00    (#   1245:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1245, nxpk= 20, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 496, 497,
 &end
#
#   28 PRO  HB-          28 PRO  HA          6.00    (#   1246:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1, 499, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 496, 497,
 &end
#
#    0 AMB  20-2:1247    58 VAL  HB          6.00    (#   1247:20  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1022, 946,
 &end
#
#    0 AMB  20-2:1248     0 AMB  20-1:1248   6.00    (#   1248:20  Double Ambig)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 180, 139,
 igr2=   8,   9,   8,   9,
 &end
#
#   59 ASN  HA           94 PRO  HB+         6.00    (#   1249:20  Unique         3.99, 4.67 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#   28 PRO  HA           28 PRO  HB-         3.50    (#   1250:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1250, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 496, 497,
 &end
#
#    0 AMB  20-2:1251     0 AMB  20-1:1251   4.50    (#   1251:20  Double Ambig)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1=1635,1636,1635,1636, 789, 790, 441,
 igr2=1605,1606,1605,1606, 795, 796, 496, 497,
 &end
#
#    0 AMB  20-2:1252     0 AMB  20-1:1252   4.50    (#   1252:20  Double Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 804,1066,
 igr2= 795, 796,1010,
 &end
#
#   28 PRO  HD+          28 PRO  HB+         6.00    (#   1253:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 490, 491,
 igr2= 496, 497,
 &end
#
#   28 PRO  HD+          28 PRO  HB-         6.00    (#   1254:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 490, 491,
 igr2= 496, 497,
 &end
#
#   28 PRO  HD-          28 PRO  HB+         6.00    (#   1255:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 490, 491,
 igr2= 496, 497,
 &end
#
#   28 PRO  HD-          28 PRO  HB-         6.00    (#   1256:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 490, 491,
 igr2= 496, 497,
 &end
#
#    0 AMB  20-2:1259     0 AMB  20-1:1259   2.80    (#   1259:20  Double Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 493, 494, 493, 494,
 igr2= 496, 497, 496, 497,
 &end
#
#   24 ARG  HG-          28 PRO  HB+         6.00    (#   1260:20  Unique         6.93, 7.82 A)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 422, 423,
 igr2= 496, 497,
 &end
#
#   95 ILE  HG1-         94 PRO  HB+         8.00    (#   1261:20  Unique         6.25, 7.24 A)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1622,1623,
 igr2=1605,1606,
 &end
#
#   29 THR  MG2          28 PRO  HB+         6.00    (#   1262:20  Unique         3.87, 5.65 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 509, 510, 511,
 igr2= 496, 497,
 &end
#
#   30 LYS  HG+          58 VAL  HB          8.00    (#   1263:20  Unique         6.81, 7.95 A)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 524, 525,
 &end
#
#   46 VAL  MGX          45 PRO  HB+         6.00    (#   1265:20  Unique         3.86, 6.50 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 795, 796,
 &end
#
#   54 VAL  MGX          58 VAL  HB          2.80    (#   1266:20  Unique         1.81, 3.01 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#   29 THR  HN            0 AMB  20-1:1267   6.00    (#   1267:20  Single Ambig)
 &rst
  ixpk= 1267, nxpk= 20, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 493, 494, 493, 494,
 &end
#
#   27 HIS  HA            0 AMB  20-1:1268   6.00    (#   1268:20  Single Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 493, 494, 493, 494,
 &end
#
#   28 PRO  HA            0 AMB  20-1:1269   6.00    (#   1269:20  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 493, 494, 493, 494,
 &end
#
#    0 AMB  20-2:1270     0 AMB  20-1:1270   4.50    (#   1270:20  Double Ambig)
 &rst
  ixpk= 1270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 490, 491, 490, 491,
 igr2= 493, 494, 493, 494,
 &end
#
#   28 PRO  HD-           0 AMB  20-1:1271   6.00    (#   1271:20  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 490, 491,
 igr2= 493, 494, 493, 494,
 &end
#
#    0 AMB  20-2:1272     0 AMB  20-1:1272   4.50    (#   1272:20  Double Ambig)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 496, 497, 496, 497,
 igr2= 493, 494, 493, 494,
 &end
#
#   28 PRO  HB-           0 AMB  20-1:1273   2.80    (#   1273:20  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 496, 497,
 igr2= 493, 494, 493, 494,
 &end
#
#   29 THR  MG2           0 AMB  20-1:1274   6.00    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 509, 510, 511,
 igr2= 493, 494, 493, 494,
 &end
#
#   27 HIS  HN           28 PRO  HD+         6.00    (#   1275:20  Unique         2.76, 3.67 A)
 &rst
  ixpk= 1275, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#   27 HIS  HN           28 PRO  HD-         6.00    (#   1276:20  Unique         2.76, 3.67 A)
 &rst
  ixpk= 1276, nxpk= 20, iat= 471,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#   29 THR  HN           28 PRO  HD+         8.00    (#   1277:20  Unique         2.66, 3.35 A)
 &rst
  ixpk= 1277, nxpk= 20, iat= 503,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 490, 491,
 &end
#
#   28 PRO  HA           28 PRO  HD+         6.00    (#   1278:20  Unique         3.58, 3.83 A)
 &rst
  ixpk= 1278, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#   28 PRO  HA           28 PRO  HD-         6.00    (#   1279:20  Unique         3.58, 3.83 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#   24 ARG  HA           28 PRO  HD-         6.00    (#   1280:20  Unique         4.89, 5.58 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 490, 491,
 &end
#
#   24 ARG  HD-          28 PRO  HD+         6.00    (#   1281:20  Unique         6.03, 7.56 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 490, 491,
 &end
#
#   24 ARG  HD-          28 PRO  HD-         6.00    (#   1284:20  Unique         6.03, 7.56 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 490, 491,
 &end
#
#   28 PRO  HB+          28 PRO  HD+         6.00    (#   1286:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 496, 497,
 igr2= 490, 491,
 &end
#
#   26 GLN  HB-          28 PRO  HD-         8.00    (#   1289:20  Unique         5.27, 5.98 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 458, 459,
 igr2= 490, 491,
 &end
#
#   29 THR  MG2          28 PRO  HD+         6.00    (#   1290:20  Unique         3.38, 5.64 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 509, 510, 511,
 igr2= 490, 491,
 &end
#
#   31 ILE  HN           30 LYS  HB-         6.00    (#   1294:20  Unique         2.18, 3.40 A)
 &rst
  ixpk= 1294, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 521, 522,
 &end
#
#   54 VAL  HN           30 LYS  HB-         8.00    (#   1295:20  Unique         3.97, 5.41 A)
 &rst
  ixpk= 1295, nxpk= 20, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 521, 522,
 &end
#
#   30 LYS  HN           30 LYS  HB-         6.00    (#   1296:20  Unique         2.45, 3.06 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 521, 522,
 &end
#
#   31 ILE  HG1-         30 LYS  HB-         4.50    (#   1298:20  Unique         4.70, 6.04 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 549, 550,
 igr2= 521, 522,
 &end
#
#    0 AMB  20-2:1299    30 LYS  HB-         6.00    (#   1299:20  Single Ambig)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 931, 932, 402, 403, 404,
 igr2= 521, 522,
 &end
#
#   53 LEU  MDY          30 LYS  HB-         6.00    (#   1300:20  Unique         1.91, 5.47 A)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 521, 522,
 &end
#
#    0 AMB  20-2:1301     0 AMB  20-1:1301   8.00    (#   1301:20  Double Ambig)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 517, 988,
 igr2= 524, 525, 524, 525,
 &end
#
#    0 AMB  20-2:1302    30 LYS  HG-         8.00    (#   1302:20  Single Ambig)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 517, 988,
 igr2= 524, 525,
 &end
#
#    0 AMB  20-2:1303     0 AMB  20-1:1303   6.00    (#   1303:20  Double Ambig)
 &rst
  ixpk= 1303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 948,   6,
 igr2= 524, 525,  68,  69,
 &end
#
#   30 LYS  HA           30 LYS  HG-         6.00    (#   1304:20  Unique         2.08, 2.79 A)
 &rst
  ixpk= 1304, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   55 PRO  HA           30 LYS  HG+         6.00    (#   1305:20  Unique         1.97, 3.22 A)
 &rst
  ixpk= 1305, nxpk= 20, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#   55 PRO  HA           30 LYS  HG-         6.00    (#   1306:20  Unique         1.97, 3.22 A)
 &rst
  ixpk= 1306, nxpk= 20, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 524, 525,
 &end
#
#    0 AMB  20-2:1307    30 LYS  HG-         4.50    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 530, 531, 530, 531,
 igr2= 524, 525,
 &end
#
#    0 AMB  20-2:1308     0 AMB  20-1:1308   6.00    (#   1308:20  Double Ambig)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 475, 476,  11,  12,
 igr2= 524, 525,  68,  69,
 &end
#
#   27 HIS  HB-          30 LYS  HG-         8.00    (#   1309:20  Unique         3.62, 5.38 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 475, 476,
 igr2= 524, 525,
 &end
#
#    0 AMB  20-2:1314     0 AMB  20-1:1314   6.00    (#   1314:20  Double Ambig)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 686,  83,
 igr2= 696, 697, 696, 697,  71,  72,
 &end
#
#   31 ILE  HN           31 ILE  HA          6.00    (#   1316:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1316, nxpk= 20, iat= 539, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1317    31 ILE  HA          6.00    (#   1317:20  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 543, 565, 566,
 &end
#
#   31 ILE  HG1+         31 ILE  HA          6.00    (#   1318:20  Unique         2.34, 3.11 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 549, 550,
 &end
#
#   95 ILE  HN           95 ILE  HB          4.50    (#   1319:20  Unique         2.16, 2.37 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1612,1616, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 VAL  HN           31 ILE  HB          6.00    (#   1320:20  Unique         2.75, 3.31 A)
 &rst
  ixpk= 1320, nxpk= 20, iat= 946, 543, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1322     0 AMB  20-1:1322   6.00    (#   1322:20  Double Ambig)
 &rst
  ixpk= 1322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1024, 929,
 igr2=1616, 543,
 &end
#
#   95 ILE  HA           95 ILE  HB          3.50    (#   1323:20  Unique         2.52, 2.58 A)
 &rst
  ixpk= 1323, nxpk= 20, iat=1614,1616, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1324     0 AMB  20-1:1324   6.00    (#   1324:20  Double Ambig)
 &rst
  ixpk= 1324, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1661,1602,1603, 966, 967, 966, 967,
 igr2=1616, 543,
 &end
#
#   95 ILE  HG1-          0 AMB  20-1:1325   3.50    (#   1325:20  Single Ambig)
 &rst
  ixpk= 1325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1622,1623,
 igr2=1616, 543,
 &end
#
#   31 ILE  HN           31 ILE  HG1-        6.00    (#   1326:20  Unique         2.59, 3.68 A)
 &rst
  ixpk= 1326, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   31 ILE  HN           31 ILE  HG1+        6.00    (#   1327:20  Unique         2.59, 3.68 A)
 &rst
  ixpk= 1327, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   56 ASP  HN           31 ILE  HG1-        6.00    (#   1328:20  Unique         2.23, 3.48 A)
 &rst
  ixpk= 1328, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   56 ASP  HN           31 ILE  HG1+        6.00    (#   1329:20  Unique         2.23, 3.48 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   30 LYS  HA           31 ILE  HG1-        8.00    (#   1330:20  Unique         3.35, 4.29 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 549, 550,
 &end
#
#   31 ILE  HA           31 ILE  HG1-        8.00    (#   1331:20  Unique         2.34, 3.11 A)
 &rst
  ixpk= 1331, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 549, 550,
 &end
#
#   56 ASP  HA           31 ILE  HG1-        6.00    (#   1332:20  Unique         2.00, 2.75 A)
 &rst
  ixpk= 1332, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   56 ASP  HA           31 ILE  HG1+        6.00    (#   1333:20  Unique         2.00, 2.75 A)
 &rst
  ixpk= 1333, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:1334     0 AMB  20-1:1334   6.00    (#   1334:20  Double Ambig)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=1633,1635,1636,1635,1636,
 igr2= 549, 550, 549, 550, 549, 550,
 &end
#
#   56 ASP  HB+          31 ILE  HG1-        8.00    (#   1335:20  Unique         1.96, 3.53 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 980, 981,
 igr2= 549, 550,
 &end
#
#   56 ASP  HB-          31 ILE  HG1-        8.00    (#   1336:20  Unique         1.96, 3.53 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 980, 981,
 igr2= 549, 550,
 &end
#
#   31 ILE  HB           31 ILE  HG1-        4.50    (#   1337:20  Unique         2.33, 2.52 A)
 &rst
  ixpk= 1337, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#   31 ILE  HB           31 ILE  HG1+        4.50    (#   1338:20  Unique         2.33, 2.52 A)
 &rst
  ixpk= 1338, nxpk= 20, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 549, 550,
 &end
#
#   31 ILE  QD1          31 ILE  HG1-        2.80    (#   1340:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 552, 553, 554,
 igr2= 549, 550,
 &end
#
#    0 AMB  20-2:1341    31 ILE  QD1         6.00    (#   1341:20  Single Ambig)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1694,1642,
 igr2= 552, 553, 554,
 &end
#
#   99 TYR  HE           31 ILE  QD1         6.00    (#   1342:20  Unique         3.33, 5.53 A)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1683,1688,
 igr2= 552, 553, 554,
 &end
#
#   56 ASP  HA           31 ILE  QD1         6.00    (#   1346:20  Unique         1.82, 3.93 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 552, 553, 554,
 &end
#
#   32 PRO  HD+          31 ILE  QD1         6.00    (#   1347:20  Unique         2.87, 5.08 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 559, 560,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1348    31 ILE  QD1         6.00    (#   1348:20  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 559, 560, 425, 426,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:1349    31 ILE  QD1         3.50    (#   1349:20  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1=1618,1619,1620, 549, 550,
 igr2= 552, 553, 554,
 &end
#
#   99 TYR  HN           31 ILE  QG2         8.00    (#   1350:20  Unique         3.69, 5.23 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 545, 546, 547,
 &end
#
#   54 VAL  HN           31 ILE  QG2         8.00    (#   1351:20  Unique         3.85, 5.11 A)
 &rst
  ixpk= 1351, nxpk= 20, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 545, 546, 547,
 &end
#
#   99 TYR  HE           31 ILE  QG2         6.00    (#   1353:20  Unique         3.23, 5.66 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1683,1688,
 igr2= 545, 546, 547,
 &end
#
#   32 PRO  HA           31 ILE  QG2         8.00    (#   1354:20  Unique         4.29, 5.32 A)
 &rst
  ixpk= 1354, nxpk= 20, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1355    31 ILE  QG2         8.00    (#   1355:20  Single Ambig)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 978,1696,
 igr2= 545, 546, 547,
 &end
#
#  109 LEU  HB+          31 ILE  QG2         6.00    (#   1356:20  Unique         2.55, 4.58 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1827,1828,
 igr2= 545, 546, 547,
 &end
#
#   54 VAL  HB           31 ILE  QG2         6.00    (#   1357:20  Unique         3.87, 5.05 A)
 &rst
  ixpk= 1357, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 545, 546, 547,
 &end
#
#   32 PRO  HG-          31 ILE  QG2         6.00    (#   1358:20  Unique         3.90, 5.42 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 562, 563,
 igr2= 545, 546, 547,
 &end
#
#   95 ILE  HG1+         31 ILE  QG2         6.00    (#   1359:20  Unique         2.38, 4.90 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1622,1623,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  20-2:1360    31 ILE  QG2         2.80    (#   1360:20  Single Ambig)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,1618,1619,1620,
 igr2= 545, 546, 547,
 &end
#
#   95 ILE  QD1          31 ILE  QG2         6.00    (#   1361:20  Unique         2.17, 4.69 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1625,1626,1627,
 igr2= 545, 546, 547,
 &end
#
#   33 VAL  HN           32 PRO  HA          2.80    (#   1362:20  Unique         2.16, 2.18 A)
 &rst
  ixpk= 1362, nxpk= 20, iat= 572, 568, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:1363    32 PRO  HA          6.00    (#   1363:20  Single Ambig)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 576, 950,
 &end
#
#   32 PRO  HB-          32 PRO  HA          4.50    (#   1364:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 565, 566,
 &end
#
#    0 AMB  20-2:1365    32 PRO  HA          4.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 931, 932, 578, 579, 580, 582, 583, 584, 578, 579,
       580, 582, 583, 584,
 &end
#
#   53 LEU  MDY          32 PRO  HA          4.50    (#   1366:20  Unique         1.57, 3.68 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   32 PRO  HB+          32 PRO  HA          6.00    (#   1367:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 565, 566,
 &end
#
#    0 AMB  20-2:1368    32 PRO  HA          6.00    (#   1368:20  Single Ambig)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 562, 563, 527, 528, 527, 528, 422, 423,
 &end
#
#   33 VAL  HN           32 PRO  HB+         8.00    (#   1369:20  Unique         3.35, 3.85 A)
 &rst
  ixpk= 1369, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 565, 566,
 &end
#
#   33 VAL  HN           32 PRO  HB-         8.00    (#   1370:20  Unique         3.35, 3.85 A)
 &rst
  ixpk= 1370, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1371    16 ARG  HB-         6.00    (#   1371:20  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 226, 234, 180,
 igr2= 274, 275,
 &end
#
#  108 PHE  HD            0 AMB  20-1:1373   6.00    (#   1373:20  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1811,1819,
 igr2= 565, 566, 274, 275,
 &end
#
#  129 TYR  HH           32 PRO  HB+         6.00    (#   1374:20  Unique         4.45, 5.89 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#  129 TYR  HH            0 AMB  20-1:1375   6.00    (#   1375:20  Single Ambig)
 &rst
  ixpk= 1375, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 565, 566, 341,
 &end
#
#   32 PRO  HA           32 PRO  HB+         6.00    (#   1376:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 1376, nxpk= 20, iat= 568,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1377     0 AMB  20-1:1377   8.00    (#   1377:20  Double Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1807,1808, 559, 560,
 igr2= 565, 566, 565, 566,
 &end
#
#    0 AMB  20-2:1379    32 PRO  HB-         8.00    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1807,1808, 559, 560,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1380     0 AMB  20-1:1380   6.00    (#   1380:20  Double Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
 igr1= 280, 281, 559, 560, 425, 426, 280, 281,
 igr2= 274, 275, 565, 566, 341,
 &end
#
#   32 PRO  HG+          32 PRO  HB+         6.00    (#   1381:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 562, 563,
 igr2= 565, 566,
 &end
#
#   32 PRO  HG+          32 PRO  HB-         6.00    (#   1382:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 562, 563,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1387     0 AMB  20-1:1387   4.50    (#   1387:20  Double Ambig)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 184, 185, 402, 403, 404,
 igr2= 274, 275, 565, 566,
 &end
#
#    0 AMB  20-2:1388     0 AMB  20-1:1388   4.50    (#   1388:20  Double Ambig)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 184, 185, 402, 403, 404,
 igr2= 274, 275, 565, 566,
 &end
#
#   53 LEU  MDY          32 PRO  HB+         6.00    (#   1389:20  Unique         1.98, 4.90 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 565, 566,
 &end
#
#   53 LEU  MDY          32 PRO  HB-         6.00    (#   1390:20  Unique         1.98, 4.90 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 565, 566,
 &end
#
#    0 AMB  20-2:1391     0 AMB  20-1:1391   6.00    (#   1391:20  Double Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
       941, 942,
 igr2= 565, 566, 565, 566,
 &end
#
#    0 AMB  20-2:1395     0 AMB  20-1:1395   6.00    (#   1395:20  Double Ambig)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1813,1817, 283,
 igr2= 277, 278, 277, 278, 277, 278, 422, 423,
 &end
#
#    0 AMB  20-2:1396     0 AMB  20-1:1396   8.00    (#   1396:20  Double Ambig)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 568, 574,
 igr2= 562, 563, 562, 563,
 &end
#
#  108 PHE  HA           32 PRO  HG+         6.00    (#   1397:20  Unique         2.02, 3.66 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   31 ILE  HA           32 PRO  HG+         6.00    (#   1398:20  Unique         4.11, 4.23 A)
 &rst
  ixpk= 1398, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 562, 563,
 &end
#
#   12 THR  HB            0 AMB  20-1:1399   6.00    (#   1399:20  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 277, 278, 277, 278,
 &end
#
#    0 AMB  20-2:1400     0 AMB  20-1:1400   8.00    (#   1400:20  Double Ambig)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1805, 182,
 igr2= 562, 563, 277, 278,
 &end
#
#    0 AMB  20-2:1401     0 AMB  20-1:1401   6.00    (#   1401:20  Double Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1807,1808, 559, 560,
 igr2= 562, 563, 562, 563,
 &end
#
#    0 AMB  20-2:1402     0 AMB  20-1:1402   6.00    (#   1402:20  Double Ambig)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 425, 426, 559, 560,
 igr2= 562, 563, 562, 563,
 &end
#
#   24 ARG  HD-          32 PRO  HG+         8.00    (#   1403:20  Unique         1.99, 4.33 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 425, 426,
 igr2= 562, 563,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   6.00    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 565, 566,1827,1828,
 igr2= 562, 563, 562, 563,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   6.00    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 422, 423, 341,
 igr2= 562, 563, 562, 563,
 &end
#
#    0 AMB  20-2:1409     0 AMB  20-1:1409   8.00    (#   1409:20  Double Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=18.14, r4=18.64,
 igr1= 402, 403, 404, 578, 579, 580, 582, 583, 584, 578,
       579, 580, 582, 583, 584, 931, 932,
 igr2= 562, 563, 562, 563, 562, 563, 562, 563,
 &end
#
#   20 VAL  MGY          32 PRO  HG+         6.00    (#   1410:20  Unique         1.60, 4.04 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 562, 563,
 &end
#
#   20 VAL  MGX          32 PRO  HG+         6.00    (#   1411:20  Unique         1.60, 4.04 A)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 562, 563,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   3.50    (#   1412:20  Double Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1= 184, 185, 402, 403, 404,
 igr2= 277, 278, 277, 278, 422, 423,
 &end
#
#   20 VAL  MGX           0 AMB  20-1:1413   6.00    (#   1413:20  Single Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 562, 563, 422, 423, 277, 278,
 &end
#
#   31 ILE  HN           32 PRO  HD-         8.00    (#   1414:20  Unique         3.91, 4.38 A)
 &rst
  ixpk= 1414, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 559, 560,
 &end
#
#   99 TYR  HE           32 PRO  HD-         6.00    (#   1415:20  Unique         2.58, 5.42 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1683,1688,
 igr2= 559, 560,
 &end
#
#   24 ARG  HD-          32 PRO  HD+         6.00    (#   1416:20  Unique         1.91, 3.30 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 559, 560,
 &end
#
#   24 ARG  HD-          32 PRO  HD-         6.00    (#   1417:20  Unique         1.91, 3.30 A)
 &rst
  ixpk= 1417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 425, 426,
 igr2= 559, 560,
 &end
#
#   32 PRO  HG+          32 PRO  HD+         6.00    (#   1418:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 562, 563,
 igr2= 559, 560,
 &end
#
#   32 PRO  HB+          32 PRO  HD-         8.00    (#   1419:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 565, 566,
 igr2= 559, 560,
 &end
#
#    0 AMB  20-2:1420     0 AMB  20-1:1420   6.00    (#   1420:20  Double Ambig)
 &rst
  ixpk= 1420, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 565, 566, 543,
 igr2= 559, 560, 559, 560,
 &end
#
#    0 AMB  20-2:1421     0 AMB  20-1:1421   6.00    (#   1421:20  Double Ambig)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 562, 563, 422, 423,
 igr2= 559, 560, 559, 560,
 &end
#
#    0 AMB  20-2:1422    32 PRO  HD-         6.00    (#   1422:20  Single Ambig)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 565, 566, 543,
 igr2= 559, 560,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   8.00    (#   1423:20  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.94, r4=17.44,
 igr1= 402, 403, 404, 578, 579, 580, 582, 583, 584, 578,
       579, 580, 582, 583, 584,
 igr2= 559, 560, 559, 560, 559, 560,
 &end
#
#    0 AMB  20-2:1424    32 PRO  HD-         6.00    (#   1424:20  Single Ambig)
 &rst
  ixpk= 1424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.80, r4=11.30,
 igr1= 402, 403, 404, 931, 932, 578, 579, 580, 582, 583,
       584, 578, 579, 580, 582, 583, 584,
 igr2= 559, 560,
 &end
#
#   20 VAL  MGY          32 PRO  HD-         8.00    (#   1425:20  Unique         3.29, 5.59 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 559, 560,
 &end
#
#   31 ILE  QG2          32 PRO  HD+         6.00    (#   1426:20  Unique         2.39, 4.23 A)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 545, 546, 547,
 igr2= 559, 560,
 &end
#
#   33 VAL  HN           33 VAL  HA          6.00    (#   1427:20  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1427, nxpk= 20, iat= 572, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  HN           33 VAL  HA          3.50    (#   1428:20  Unique         2.13, 2.21 A)
 &rst
  ixpk= 1428, nxpk= 20, iat= 588, 574, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  109 LEU  HN           33 VAL  HA          6.00    (#   1429:20  Unique         1.82, 2.43 A)
 &rst
  ixpk= 1429, nxpk= 20, iat=1823, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 LEU  HB+          33 VAL  HA          6.00    (#   1430:20  Unique         2.00, 2.75 A)
 &rst
  ixpk= 1430, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1827,1828,
 &end
#
#   33 VAL  HB           33 VAL  HA          6.00    (#   1431:20  Unique         2.71, 2.95 A)
 &rst
  ixpk= 1431, nxpk= 20, iat= 576, 574, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1432    33 VAL  HA          2.80    (#   1432:20  Single Ambig)
 &rst
  ixpk= 1432, nxpk= 20, iat=  -1, 574, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#   52 PHE  HN           33 VAL  HB          8.00    (#   1433:20  Unique         2.96, 3.69 A)
 &rst
  ixpk= 1433, nxpk= 20, iat= 907, 576, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:1434    33 VAL  HB          6.00    (#   1434:20  Single Ambig)
 &rst
  ixpk= 1434, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 588, 927,
 &end
#
#   52 PHE  HD           33 VAL  HB          6.00    (#   1435:20  Unique         2.11, 3.79 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 915, 923,
 &end
#
#   52 PHE  HB-          33 VAL  HB          6.00    (#   1436:20  Unique         1.79, 4.55 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 911, 912,
 &end
#
#    0 AMB  20-2:1437    33 VAL  HB          2.80    (#   1437:20  Single Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#   35 ILE  QD1          33 VAL  HB          8.00    (#   1438:20  Unique         6.36, 7.53 A)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1, 576, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 620, 621, 622,
 &end
#
#   33 VAL  HN           33 VAL  MGY         4.50    (#   1439:20  Unique         1.97, 4.12 A)
 &rst
  ixpk= 1439, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 578, 579, 580, 582, 583, 584,
 &end
#
#   34 ILE  HN           33 VAL  MGY         4.50    (#   1440:20  Unique         1.99, 4.13 A)
 &rst
  ixpk= 1440, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 578, 579, 580, 582, 583, 584,
 &end
#
#    0 AMB  20-2:1441     0 AMB  20-1:1441   3.50    (#   1441:20  Double Ambig)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 574, 568,
 igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#    0 AMB  20-2:1442     0 AMB  20-1:1442   4.50    (#   1442:20  Double Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1870,1871,1870,1871,1870,1871,
 igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#   33 VAL  HB            0 AMB  20-1:1443   2.80    (#   1443:20  Single Ambig)
 &rst
  ixpk= 1443, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#  111 MET  HN           34 ILE  HB          6.00    (#   1446:20  Unique         2.39, 2.99 A)
 &rst
  ixpk= 1446, nxpk= 20, iat=1863, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  HN           34 ILE  HB          6.00    (#   1447:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 588, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  110 TYR  HD           34 ILE  HB          6.00    (#   1448:20  Unique         3.11, 4.86 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1850,1859,
 &end
#
#  110 TYR  HA           34 ILE  HB          6.00    (#   1449:20  Unique         1.83, 2.53 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=1844, 592, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  HA           34 ILE  HB          8.00    (#   1450:20  Unique         2.98, 2.99 A)
 &rst
  ixpk= 1450, nxpk= 20, iat= 590, 592, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   34 ILE  HG1-         34 ILE  HB          6.00    (#   1451:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 598, 599,
 &end
#
#   34 ILE  HG1+         34 ILE  HB          6.00    (#   1452:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 598, 599,
 &end
#
#   34 ILE  QD1          34 ILE  HB          6.00    (#   1453:20  Unique         2.42, 3.23 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1, 592, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 601, 602, 603,
 &end
#
#   34 ILE  HN           34 ILE  HG1-        6.00    (#   1454:20  Unique         2.09, 3.33 A)
 &rst
  ixpk= 1454, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   34 ILE  HN           34 ILE  HG1+        8.00    (#   1455:20  Unique         2.09, 3.33 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 588,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 598, 599,
 &end
#
#  110 TYR  HD           34 ILE  HG1-        8.00    (#   1456:20  Unique         3.28, 6.41 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1850,1859,
 igr2= 598, 599,
 &end
#
#  110 TYR  HD           34 ILE  HG1+        6.00    (#   1457:20  Unique         3.28, 6.41 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1850,1859,
 igr2= 598, 599,
 &end
#
#   34 ILE  HB           34 ILE  HG1-        6.00    (#   1458:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   34 ILE  HB           34 ILE  HG1+        6.00    (#   1459:20  Unique         2.38, 2.69 A)
 &rst
  ixpk= 1459, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   34 ILE  QD1          34 ILE  HG1-        6.00    (#   1461:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 601, 602, 603,
 igr2= 598, 599,
 &end
#
#   34 ILE  QD1          34 ILE  HG1+        6.00    (#   1462:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 601, 602, 603,
 igr2= 598, 599,
 &end
#
#   52 PHE  HN           34 ILE  QD1         6.00    (#   1463:20  Unique         3.31, 6.62 A)
 &rst
  ixpk= 1463, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 601, 602, 603,
 &end
#
#   35 ILE  HN           34 ILE  QD1         6.00    (#   1464:20  Unique         4.38, 6.07 A)
 &rst
  ixpk= 1464, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 601, 602, 603,
 &end
#
#  110 TYR  HD           34 ILE  QD1         6.00    (#   1465:20  Unique         2.53, 6.04 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1850,1859,
 igr2= 601, 602, 603,
 &end
#
#    7 PHE  HE           34 ILE  QD1         6.00    (#   1467:20  Unique         3.59, 7.22 A)
 &rst
  ixpk= 1467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 107, 111,
 igr2= 601, 602, 603,
 &end
#
#   51 LYS  HA           34 ILE  QD1         6.00    (#   1468:20  Unique         3.67, 6.18 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 601, 602, 603,
 &end
#
#   51 LYS  HE-          34 ILE  QD1         8.00    (#   1469:20  Unique         1.51, 5.70 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 898, 899,
 igr2= 601, 602, 603,
 &end
#
#   34 ILE  HB           34 ILE  QD1         6.00    (#   1470:20  Unique         2.42, 3.23 A)
 &rst
  ixpk= 1470, nxpk= 20, iat= 592,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 601, 602, 603,
 &end
#
#   51 LYS  HG+          34 ILE  QD1         6.00    (#   1471:20  Unique         1.84, 5.77 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 892, 893,
 igr2= 601, 602, 603,
 &end
#
#   34 ILE  HG1-         34 ILE  QD1         6.00    (#   1472:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 598, 599,
 igr2= 601, 602, 603,
 &end
#
#    0 AMB  20-2:1478    34 ILE  QG2         6.00    (#   1478:20  Single Ambig)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1844, 609,
 igr2= 594, 595, 596,
 &end
#
#   51 LYS  HA           34 ILE  QG2         6.00    (#   1479:20  Unique         2.95, 4.49 A)
 &rst
  ixpk= 1479, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  20-2:1480    34 ILE  QG2         6.00    (#   1480:20  Single Ambig)
 &rst
  ixpk= 1480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 630, 631,1867,1868,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  20-2:1481    34 ILE  QG2         4.50    (#   1481:20  Single Ambig)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 889, 890, 877, 878, 879,
 igr2= 594, 595, 596,
 &end
#
#   34 ILE  HG1-         34 ILE  QG2         4.50    (#   1482:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 598, 599,
 igr2= 594, 595, 596,
 &end
#
#   36 GLU  HN           35 ILE  HA          8.00    (#   1483:20  Unique         2.13, 2.17 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 626, 609, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:1484    35 ILE  HA          8.00    (#   1484:20  Single Ambig)
 &rst
  ixpk= 1484, nxpk= 20, iat=  -1, 609, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 617, 618, 613, 614, 615,
 &end
#
#   35 ILE  HN           35 ILE  HB          6.00    (#   1485:20  Unique         2.79, 3.14 A)
 &rst
  ixpk= 1485, nxpk= 20, iat= 607, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  HA           35 ILE  HB          8.00    (#   1486:20  Unique         4.60, 4.85 A)
 &rst
  ixpk= 1486, nxpk= 20, iat= 590, 611, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   35 ILE  HA           35 ILE  HB          6.00    (#   1487:20  Unique         2.22, 2.36 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 609, 611, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HG1-         35 ILE  HB          4.50    (#   1488:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#    0 AMB  20-2:1489    35 ILE  HB          2.80    (#   1489:20  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 617, 618, 613, 614, 615,
 &end
#
#   35 ILE  HN           35 ILE  HG1-        6.00    (#   1490:20  Unique         3.41, 4.39 A)
 &rst
  ixpk= 1490, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 617, 618,
 &end
#
#   52 PHE  HD           35 ILE  HG1-        6.00    (#   1491:20  Unique         4.17, 6.59 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 915, 923,
 igr2= 617, 618,
 &end
#
#   35 ILE  HA           35 ILE  HG1-        8.00    (#   1492:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 617, 618,
 &end
#
#   35 ILE  HA           35 ILE  HG1+        6.00    (#   1493:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 1493, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:1494     0 AMB  20-1:1494   6.00    (#   1494:20  Double Ambig)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1867,1868,1867,1868,
 igr2= 617, 618, 617, 618,
 &end
#
#   35 ILE  HB           35 ILE  HG1+        6.00    (#   1495:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1495, nxpk= 20, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 617, 618,
 &end
#
#   81 LEU  MDY          35 ILE  HG1+        4.50    (#   1498:20  Unique         2.13, 5.10 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2= 617, 618,
 &end
#
#   35 ILE  HN           35 ILE  QD1         6.00    (#   1499:20  Unique         4.72, 5.54 A)
 &rst
  ixpk= 1499, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  20-2:1500    35 ILE  QD1         8.00    (#   1500:20  Single Ambig)
 &rst
  ixpk= 1500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1177,1158,
 igr2= 620, 621, 622,
 &end
#
#   52 PHE  HD           35 ILE  QD1         4.50    (#   1501:20  Unique         3.13, 5.84 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 915, 923,
 igr2= 620, 621, 622,
 &end
#
#   35 ILE  HA           35 ILE  QD1         6.00    (#   1503:20  Unique         4.00, 4.62 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 620, 621, 622,
 &end
#
#   34 ILE  HA           35 ILE  QD1         8.00    (#   1504:20  Unique         6.47, 7.51 A)
 &rst
  ixpk= 1504, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  20-2:1506    35 ILE  QD1         8.00    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1900,1901,1870,1871,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  20-2:1507    35 ILE  QD1         6.00    (#   1507:20  Single Ambig)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1867,1868,1867,1868,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  20-2:1508    35 ILE  QD1         6.00    (#   1508:20  Single Ambig)
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 853, 854,1256,
 igr2= 620, 621, 622,
 &end
#
#   67 ILE  HG1-         35 ILE  QD1         6.00    (#   1509:20  Unique         1.97, 4.74 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1168,1169,
 igr2= 620, 621, 622,
 &end
#
#   67 ILE  HG1+         35 ILE  QD1         6.00    (#   1510:20  Unique         1.97, 4.74 A)
 &rst
  ixpk= 1510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1168,1169,
 igr2= 620, 621, 622,
 &end
#
#   71 LEU  MDY          35 ILE  QD1         6.00    (#   1511:20  Unique         1.91, 4.68 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2= 620, 621, 622,
 &end
#
#   67 ILE  QG2          35 ILE  QD1         4.50    (#   1512:20  Unique         2.12, 4.20 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1164,1165,1166,
 igr2= 620, 621, 622,
 &end
#
#   67 ILE  QD1          35 ILE  QD1         3.50    (#   1513:20  Unique         1.98, 4.82 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1171,1172,1173,
 igr2= 620, 621, 622,
 &end
#
#   35 ILE  HN           35 ILE  QG2         6.00    (#   1514:20  Unique         1.76, 2.76 A)
 &rst
  ixpk= 1514, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 613, 614, 615,
 &end
#
#   36 GLU  HN           35 ILE  QG2         4.50    (#   1515:20  Unique         4.45, 5.23 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 613, 614, 615,
 &end
#
#   52 PHE  HD           35 ILE  QG2         6.00    (#   1516:20  Unique         1.75, 4.69 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 915, 923,
 igr2= 613, 614, 615,
 &end
#
#  113 TYR  HD           35 ILE  QG2         4.50    (#   1517:20  Unique         4.47, 7.13 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1904,1913,
 igr2= 613, 614, 615,
 &end
#
#  112 VAL  HA           35 ILE  QG2         8.00    (#   1519:20  Unique         6.71, 7.69 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 613, 614, 615,
 &end
#
#    0 AMB  20-2:1520    35 ILE  QG2         6.00    (#   1520:20  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 590, 628,
 igr2= 613, 614, 615,
 &end
#
#   35 ILE  HA           35 ILE  QG2         4.50    (#   1521:20  Unique         3.23, 3.87 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 613, 614, 615,
 &end
#
#  113 TYR  HB-          35 ILE  QG2         6.00    (#   1523:20  Unique         4.81, 6.50 A)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1900,1901,
 igr2= 613, 614, 615,
 &end
#
#   35 ILE  HB           35 ILE  QG2         2.80    (#   1524:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1524, nxpk= 20, iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 613, 614, 615,
 &end
#
#   35 ILE  HG1-         35 ILE  QG2         2.80    (#   1525:20  Unique         2.40, 3.48 A)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 617, 618,
 igr2= 613, 614, 615,
 &end
#
#   35 ILE  QD1          35 ILE  QG2         2.80    (#   1526:20  Unique         1.96, 3.69 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 620, 621, 622,
 igr2= 613, 614, 615,
 &end
#
#   37 ARG  HN           36 GLU  HB+         6.00    (#   1527:20  Unique         2.14, 3.74 A)
 &rst
  ixpk= 1527, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 630, 631,
 &end
#
#   36 GLU  HN           36 GLU  HB+         6.00    (#   1528:20  Unique         2.78, 3.26 A)
 &rst
  ixpk= 1528, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 630, 631,
 &end
#
#    0 AMB  20-2:1529     0 AMB  20-1:1529   6.00    (#   1529:20  Double Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 626, 976,
 igr2= 630, 631, 950,
 &end
#
#    0 AMB  20-2:1530    36 GLU  HB-         6.00    (#   1530:20  Single Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 609,1844,
 igr2= 630, 631,
 &end
#
#   36 GLU  HA           36 GLU  HB+         4.50    (#   1531:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 630, 631,
 &end
#
#    0 AMB  20-2:1532    36 GLU  HB-         2.80    (#   1532:20  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 633, 634, 633, 634,
 igr2= 630, 631,
 &end
#
#   36 GLU  HN            0 AMB  20-1:1536   6.00    (#   1536:20  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat= 626,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 633, 634, 633, 634,
 &end
#
#   36 GLU  HA            0 AMB  20-1:1537   4.50    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 633, 634, 633, 634,
 &end
#
#   36 GLU  HB-           0 AMB  20-1:1539   3.50    (#   1539:20  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 630, 631,
 igr2= 633, 634, 633, 634,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   6.00    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 877, 878, 879, 648, 649, 693, 694,
 igr2= 633, 634, 633, 634, 633, 634,
 &end
#
#   34 ILE  QG2           0 AMB  20-1:1541   4.50    (#   1541:20  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 594, 595, 596,
 igr2= 633, 634, 633, 634,
 &end
#
#   37 ARG  HN           37 ARG  HA          6.00    (#   1542:20  Unique         2.77, 2.79 A)
 &rst
  ixpk= 1542, nxpk= 20, iat= 641, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HN           37 ARG  HA          3.50    (#   1543:20  Unique         2.13, 2.17 A)
 &rst
  ixpk= 1543, nxpk= 20, iat= 665, 643, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HN           37 ARG  HA          6.00    (#   1544:20  Unique         1.92, 2.53 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=1896, 643, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HD           37 ARG  HA          6.00    (#   1545:20  Unique         2.94, 4.39 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1904,1913,
 &end
#
#  113 TYR  HE           37 ARG  HA          6.00    (#   1546:20  Unique         3.19, 5.86 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1906,1911,
 &end
#
#  112 VAL  HA           37 ARG  HA          8.00    (#   1547:20  Unique         4.04, 4.38 A)
 &rst
  ixpk= 1547, nxpk= 20, iat=1882, 643, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  114 ALA  HA           37 ARG  HA          8.00    (#   1548:20  Unique         3.95, 4.33 A)
 &rst
  ixpk= 1548, nxpk= 20, iat=1919, 643, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   37 ARG  HB-          37 ARG  HA          6.00    (#   1553:20  Unique         2.23, 2.65 A)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   37 ARG  HG-          37 ARG  HA          6.00    (#   1554:20  Unique         2.04, 3.17 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1, 643, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 648, 649,
 &end
#
#   37 ARG  HE           37 ARG  HB-         6.00    (#   1555:20  Unique         1.98, 3.73 A)
 &rst
  ixpk= 1555, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 645, 646,
 &end
#
#  113 TYR  HE           37 ARG  HB-         6.00    (#   1556:20  Unique         2.68, 6.51 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1906,1911,
 igr2= 645, 646,
 &end
#
#   37 ARG  HD+          37 ARG  HB-         6.00    (#   1557:20  Unique         2.02, 3.13 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:1558    37 ARG  HB-         4.50    (#   1558:20  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 651, 652, 643,
 igr2= 645, 646,
 &end
#
#   44 LEU  HG           37 ARG  HB-         8.00    (#   1560:20  Unique         4.98, 6.30 A)
 &rst
  ixpk= 1560, nxpk= 20, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 645, 646,
 &end
#
#   46 VAL  MGY          37 ARG  HB-         6.00    (#   1562:20  Unique         3.16, 7.05 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 645, 646,
 &end
#
#   38 TYR  HN           37 ARG  HG+         8.00    (#   1563:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 1563, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 648, 649,
 &end
#
#   37 ARG  HN           37 ARG  HG-         8.00    (#   1564:20  Unique         1.95, 3.72 A)
 &rst
  ixpk= 1564, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 648, 649,
 &end
#
#   38 TYR  HN           37 ARG  HG-         6.00    (#   1565:20  Unique         2.42, 3.98 A)
 &rst
  ixpk= 1565, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 649,
 &end
#
#   37 ARG  HE           37 ARG  HG+         6.00    (#   1566:20  Unique         2.14, 3.28 A)
 &rst
  ixpk= 1566, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 649,
 &end
#
#    0 AMB  20-2:1567     0 AMB  20-1:1567   6.00    (#   1567:20  Double Ambig)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1904,1913, 265, 266,
 igr2= 648, 649, 187, 188,
 &end
#
#   37 ARG  HD+          37 ARG  HG+         6.00    (#   1568:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 648, 649,
 &end
#
#    0 AMB  20-2:1569     0 AMB  20-1:1569   6.00    (#   1569:20  Double Ambig)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 643, 651, 652,
 igr2= 648, 649, 648, 649,
 &end
#
#    0 AMB  20-2:1570     0 AMB  20-1:1570   6.00    (#   1570:20  Double Ambig)
 &rst
  ixpk= 1570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1900,1901, 759, 760,
 igr2= 648, 649, 648, 649,
 &end
#
#    0 AMB  20-2:1571    37 ARG  HG-         6.00    (#   1571:20  Single Ambig)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1900,1901, 759, 760,
 igr2= 648, 649,
 &end
#
#    0 AMB  20-2:1572     0 AMB  20-1:1572   6.00    (#   1572:20  Double Ambig)
 &rst
  ixpk= 1572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 633, 634, 633, 634, 565, 566,
 igr2= 648, 649, 934,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   6.00    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 806, 719, 720,
 igr2= 648, 649, 648, 649,
 &end
#
#    0 AMB  20-2:1574     0 AMB  20-1:1574   6.00    (#   1574:20  Double Ambig)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 806, 719, 720,1807,1808,
 igr2= 648, 649, 934,
 &end
#
#    0 AMB  20-2:1575     0 AMB  20-1:1575   6.00    (#   1575:20  Double Ambig)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 737, 738, 645, 646,
 igr2= 648, 649, 648, 649,
 &end
#
#    0 AMB  20-2:1576    37 ARG  HG-         6.00    (#   1576:20  Single Ambig)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 737, 738, 645, 646,
 igr2= 648, 649,
 &end
#
#   37 ARG  HN           37 ARG  HD-         8.00    (#   1577:20  Unique         3.32, 4.41 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 651, 652,
 &end
#
#   37 ARG  HE           37 ARG  HD+         6.00    (#   1578:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1578, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 651, 652,
 &end
#
#   37 ARG  HE           37 ARG  HD-         6.00    (#   1579:20  Unique         2.29, 2.69 A)
 &rst
  ixpk= 1579, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 651, 652,
 &end
#
#  113 TYR  HE           37 ARG  HD+         8.00    (#   1580:20  Unique         3.25, 6.64 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1906,1911,
 igr2= 651, 652,
 &end
#
#  114 ALA  HA           37 ARG  HD+         6.00    (#   1582:20  Unique         2.64, 5.90 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 651, 652,
 &end
#
#  114 ALA  HA           37 ARG  HD-         6.00    (#   1583:20  Unique         2.64, 5.90 A)
 &rst
  ixpk= 1583, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:1584     0 AMB  20-1:1584   8.00    (#   1584:20  Double Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 804, 789, 790,
 igr2= 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:1585    37 ARG  HD-         8.00    (#   1585:20  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 804, 789, 790,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:1588     0 AMB  20-1:1588   6.00    (#   1588:20  Double Ambig)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=1900,1901, 722, 723, 759, 760, 719, 720,
 igr2= 651, 652, 651, 652, 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:1589    37 ARG  HD-         6.00    (#   1589:20  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1900,1901, 722, 723, 759, 760, 719, 720,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:1590    37 ARG  HD-         6.00    (#   1590:20  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 756, 757, 633, 634, 633, 634, 722, 723,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:1591     0 AMB  20-1:1591   6.00    (#   1591:20  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1= 756, 757, 633, 634, 633, 634, 722, 723,
 igr2= 651, 652, 651, 652, 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:1592     0 AMB  20-1:1592   6.00    (#   1592:20  Double Ambig)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 806, 719, 720,
 igr2= 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:1593    37 ARG  HD-         6.00    (#   1593:20  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 806, 719, 720,
 igr2= 651, 652,
 &end
#
#    0 AMB  20-2:1594     0 AMB  20-1:1594   6.00    (#   1594:20  Double Ambig)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 737, 738, 645, 646,
 igr2= 651, 652, 651, 652,
 &end
#
#    0 AMB  20-2:1595    37 ARG  HD-         6.00    (#   1595:20  Single Ambig)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 737, 738, 645, 646,
 igr2= 651, 652,
 &end
#
#   46 VAL  MGX          37 ARG  HD+         6.00    (#   1596:20  Unique         1.82, 6.38 A)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 651, 652,
 &end
#
#   46 VAL  MGX          37 ARG  HD-         6.00    (#   1597:20  Unique         1.82, 6.38 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 810, 812, 813, 814,
 igr2= 651, 652,
 &end
#
#   37 ARG  HG-          37 ARG  HD-         6.00    (#   1598:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 651, 652,
 &end
#
#   38 TYR  HE           38 TYR  HA          6.00    (#   1600:20  Unique         5.92, 6.31 A)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 675, 680,
 &end
#
#   38 TYR  HB+          38 TYR  HA          4.50    (#   1601:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 669, 670,
 &end
#
#    0 AMB  20-2:1602    38 TYR  HA          6.00    (#   1602:20  Single Ambig)
 &rst
  ixpk= 1602, nxpk= 20, iat=  -1, 667, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 693, 694, 648, 649,
 &end
#
#   74 ASN  HN           74 ASN  HB+         4.50    (#   1603:20  Unique         2.06, 3.16 A)
 &rst
  ixpk= 1603, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1308,1309,
 &end
#
#   74 ASN  HN           74 ASN  HB-         4.50    (#   1604:20  Unique         2.06, 3.16 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1308,1309,
 &end
#
#   75 ALA  HN           74 ASN  HB+         4.50    (#   1605:20  Unique         1.91, 3.18 A)
 &rst
  ixpk= 1605, nxpk= 20, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1308,1309,
 &end
#
#   76 ASN  HN           74 ASN  HB+         6.00    (#   1606:20  Unique         1.96, 3.13 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1308,1309,
 &end
#
#   76 ASN  HN           74 ASN  HB-         6.00    (#   1607:20  Unique         1.96, 3.13 A)
 &rst
  ixpk= 1607, nxpk= 20, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1308,1309,
 &end
#
#   74 ASN  HD2+         74 ASN  HB+         6.00    (#   1609:20  Unique         2.15, 3.29 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1313,1314,
 igr2=1308,1309,
 &end
#
#   74 ASN  HD2+         74 ASN  HB-         6.00    (#   1610:20  Unique         2.15, 3.29 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1313,1314,
 igr2=1308,1309,
 &end
#
#    0 AMB  20-2:1611     0 AMB  20-1:1611   8.00    (#   1611:20  Double Ambig)
 &rst
  ixpk= 1611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1342,1337,1338,
 igr2=1308,1309,1308,1309,
 &end
#
#    0 AMB  20-2:1612    74 ASN  HB-         6.00    (#   1612:20  Single Ambig)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1342,1337,1338,
 igr2=1308,1309,
 &end
#
#   74 ASN  HD2-         74 ASN  HB+         6.00    (#   1613:20  Unique         2.15, 3.29 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1313,1314,
 igr2=1308,1309,
 &end
#
#   74 ASN  HD2-         74 ASN  HB-         6.00    (#   1614:20  Unique         2.15, 3.29 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1313,1314,
 igr2=1308,1309,
 &end
#
#   74 ASN  HA           74 ASN  HB+         4.50    (#   1615:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1308,1309,
 &end
#
#   74 ASN  HA           74 ASN  HB-         3.50    (#   1616:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 1616, nxpk= 20, iat=1306,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1308,1309,
 &end
#
#    0 AMB  20-2:1617     0 AMB  20-1:1617   6.00    (#   1617:20  Double Ambig)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1287,1344,
 igr2=1308,1309,1308,1309,
 &end
#
#   77 GLN  HA           74 ASN  HB-         6.00    (#   1618:20  Unique         4.25, 5.66 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1308,1309,
 &end
#
#   77 GLN  HB+          74 ASN  HB+         6.00    (#   1621:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1308,1309,
 &end
#
#   77 GLN  HB+          74 ASN  HB-         6.00    (#   1622:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1308,1309,
 &end
#
#   75 ALA  MB           74 ASN  HB+         6.00    (#   1623:20  Unique         3.94, 5.70 A)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1322,1323,1324,
 igr2=1308,1309,
 &end
#
#   75 ALA  MB           74 ASN  HB-         6.00    (#   1624:20  Unique         3.94, 5.70 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1322,1323,1324,
 igr2=1308,1309,
 &end
#
#   39 LYS  HN           39 LYS  HA          4.50    (#   1625:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 1625, nxpk= 20, iat= 686, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 TYR  HD          100 GLU  HA          6.00    (#   1626:20  Unique         3.08, 4.79 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1681,1690,
 &end
#
#   40 GLY  HN           39 LYS  HA          6.00    (#   1627:20  Unique         2.14, 2.84 A)
 &rst
  ixpk= 1627, nxpk= 20, iat= 708, 688, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1628     0 AMB  20-1:1628   4.50    (#   1628:20  Double Ambig)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 667,1644, 717,
 igr2= 688,1696,
 &end
#
#    0 AMB  20-2:1629    39 LYS  HA          2.80    (#   1629:20  Single Ambig)
 &rst
  ixpk= 1629, nxpk= 20, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 690, 691, 740, 741,
 &end
#
#    0 AMB  20-2:1630    39 LYS  HA          2.80    (#   1630:20  Single Ambig)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 690, 691, 737, 738,
 &end
#
#    0 AMB  20-2:1632     0 AMB  20-1:1632   4.50    (#   1632:20  Double Ambig)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 693, 694,1745,1746,
 igr2= 688,1696,
 &end
#
#    0 AMB  20-2:1633   100 GLU  HA          6.00    (#   1633:20  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1742,1743,1742,1743,
 &end
#
#  103 LYS  HD-         100 GLU  HA          6.00    (#   1634:20  Unique         2.79, 4.97 A)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,1696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1745,1746,
 &end
#
#   40 GLY  HN           39 LYS  HB+         8.00    (#   1636:20  Unique         2.05, 3.35 A)
 &rst
  ixpk= 1636, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 690, 691,
 &end
#
#   40 GLY  HN           39 LYS  HB-         6.00    (#   1637:20  Unique         2.05, 3.35 A)
 &rst
  ixpk= 1637, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 690, 691,
 &end
#
#   38 TYR  HA            0 AMB  20-1:1638   6.00    (#   1638:20  Single Ambig)
 &rst
  ixpk= 1638, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 690, 691, 645, 646,
 &end
#
#   39 LYS  HA           39 LYS  HB+         3.50    (#   1641:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 1641, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 690, 691,
 &end
#
#    0 AMB  20-2:1642     0 AMB  20-1:1642   8.00    (#   1642:20  Double Ambig)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
 igr1= 190, 191, 190, 191, 699, 700, 699, 700,
 igr2= 160, 161, 690, 691, 690, 691,
 &end
#
#   39 LYS  HG+          39 LYS  HB+         3.50    (#   1645:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 693, 694,
 igr2= 690, 691,
 &end
#
#    0 AMB  20-2:1646     0 AMB  20-1:1646   2.80    (#   1646:20  Double Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 693, 694, 693, 694, 648, 649,
 igr2= 690, 691, 645, 646,
 &end
#
#   39 LYS  HN           39 LYS  HG+         6.00    (#   1647:20  Unique         1.93, 3.03 A)
 &rst
  ixpk= 1647, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 693, 694,
 &end
#
#   39 LYS  HN           39 LYS  HG-         6.00    (#   1648:20  Unique         1.93, 3.03 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 693, 694,
 &end
#
#   40 GLY  HN           39 LYS  HG+         8.00    (#   1649:20  Unique         2.55, 4.51 A)
 &rst
  ixpk= 1649, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 693, 694,
 &end
#
#   40 GLY  HN           39 LYS  HG-         6.00    (#   1650:20  Unique         2.55, 4.51 A)
 &rst
  ixpk= 1650, nxpk= 20, iat= 708,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 693, 694,
 &end
#
#   39 LYS  HA           39 LYS  HG+         6.00    (#   1651:20  Unique         2.23, 2.85 A)
 &rst
  ixpk= 1651, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 693, 694,
 &end
#
#   39 LYS  HA           39 LYS  HG-         6.00    (#   1652:20  Unique         2.23, 2.85 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 693, 694,
 &end
#
#    0 AMB  20-2:1653     0 AMB  20-1:1653   6.00    (#   1653:20  Double Ambig)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 699, 700, 699, 700,
 igr2= 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:1654    39 LYS  HG-         6.00    (#   1654:20  Single Ambig)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 699, 700, 699, 700,
 igr2= 693, 694,
 &end
#
#   39 LYS  HA            0 AMB  20-1:1659   6.00    (#   1659:20  Single Ambig)
 &rst
  ixpk= 1659, nxpk= 20, iat= 688,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 696, 697, 696, 697,
 &end
#
#    0 AMB  20-2:1660     0 AMB  20-1:1660   2.80    (#   1660:20  Double Ambig)
 &rst
  ixpk= 1660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 693, 694, 693, 694,
 igr2= 696, 697, 696, 697,
 &end
#
#   41 GLU  HN           40 GLY  HA+         6.00    (#   1662:20  Unique         2.48, 3.09 A)
 &rst
  ixpk= 1662, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 710, 711,
 &end
#
#   38 TYR  HE           40 GLY  HA+         6.00    (#   1664:20  Unique         2.02, 6.17 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 675, 680,
 igr2= 710, 711,
 &end
#
#   38 TYR  HE           40 GLY  HA-         6.00    (#   1665:20  Unique         2.02, 6.17 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 675, 680,
 igr2= 710, 711,
 &end
#
#   38 TYR  HD           40 GLY  HA-         8.00    (#   1666:20  Unique         1.99, 5.96 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 673, 682,
 igr2= 710, 711,
 &end
#
#   41 GLU  HN           40 GLY  HA-         6.00    (#   1667:20  Unique         2.48, 3.09 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 710, 711,
 &end
#
#   39 LYS  HG-          40 GLY  HA+         8.00    (#   1670:20  Unique         3.75, 6.41 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 693, 694,
 igr2= 710, 711,
 &end
#
#   43 GLN  HN           41 GLU  HA          4.50    (#   1672:20  Unique         3.81, 4.29 A)
 &rst
  ixpk= 1672, nxpk= 20, iat= 752, 717, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 TYR  HB-          41 GLU  HA          8.00    (#   1673:20  Unique         5.78, 7.87 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 669, 670,
 &end
#
#   42 LYS  HB-          41 GLU  HA          6.00    (#   1674:20  Unique         4.09, 4.93 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 734, 735,
 &end
#
#    0 AMB  20-2:1675    41 GLU  HA          6.00    (#   1675:20  Single Ambig)
 &rst
  ixpk= 1675, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 737, 738, 645, 646,
 &end
#
#   41 GLU  HN           41 GLU  HB+         4.50    (#   1676:20  Unique         2.49, 2.94 A)
 &rst
  ixpk= 1676, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 719, 720,
 &end
#
#   38 TYR  HD           41 GLU  HB+         6.00    (#   1677:20  Unique         3.32, 5.40 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 673, 682,
 igr2= 719, 720,
 &end
#
#   38 TYR  HD           41 GLU  HB-         6.00    (#   1678:20  Unique         3.32, 5.40 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 673, 682,
 igr2= 719, 720,
 &end
#
#   41 GLU  HA           41 GLU  HB+         6.00    (#   1679:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1679, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 719, 720,
 &end
#
#   41 GLU  HA           41 GLU  HB-         6.00    (#   1680:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1680, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 719, 720,
 &end
#
#   41 GLU  HG-          41 GLU  HB+         4.50    (#   1684:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 1684, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 722, 723,
 igr2= 719, 720,
 &end
#
#   37 ARG  HG+          41 GLU  HB+         6.00    (#   1686:20  Unique         4.47, 7.18 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 719, 720,
 &end
#
#   41 GLU  HG-          41 GLU  HB-         3.50    (#   1687:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 722, 723,
 igr2= 719, 720,
 &end
#
#    0 AMB  20-2:1689     0 AMB  20-1:1689   6.00    (#   1689:20  Double Ambig)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1921,1922,1923, 737, 738,
 igr2= 719, 720, 719, 720,
 &end
#
#   37 ARG  HG-          41 GLU  HB+         6.00    (#   1690:20  Unique         4.47, 7.18 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 719, 720,
 &end
#
#   37 ARG  HG-          41 GLU  HB-         6.00    (#   1691:20  Unique         4.47, 7.18 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 719, 720,
 &end
#
#   44 LEU  HN           41 GLU  HG+         6.00    (#   1692:20  Unique         4.04, 5.03 A)
 &rst
  ixpk= 1692, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#   44 LEU  HN           41 GLU  HG-         6.00    (#   1693:20  Unique         4.04, 5.03 A)
 &rst
  ixpk= 1693, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#   43 GLN  HN           41 GLU  HG-         6.00    (#   1694:20  Unique         1.78, 2.69 A)
 &rst
  ixpk= 1694, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#   41 GLU  HN           41 GLU  HG+         8.00    (#   1695:20  Unique         3.35, 4.49 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 722, 723,
 &end
#
#   41 GLU  HN           41 GLU  HG-         6.00    (#   1696:20  Unique         3.35, 4.49 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#    0 AMB  20-2:1697     0 AMB  20-1:1697   6.00    (#   1697:20  Double Ambig)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1919, 771,
 igr2= 722, 723, 722, 723,
 &end
#
#   41 GLU  HA           41 GLU  HG+         8.00    (#   1699:20  Unique         2.30, 3.28 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 722, 723,
 &end
#
#   41 GLU  HA           41 GLU  HG-         6.00    (#   1700:20  Unique         2.30, 3.28 A)
 &rst
  ixpk= 1700, nxpk= 20, iat= 717,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#   37 ARG  HD-          41 GLU  HG-         6.00    (#   1704:20  Unique         4.34, 7.06 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 722, 723,
 &end
#
#   41 GLU  HB-          41 GLU  HG+         4.50    (#   1705:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 719, 720,
 igr2= 722, 723,
 &end
#
#   41 GLU  HB-          41 GLU  HG-         2.80    (#   1706:20  Unique         2.25, 2.64 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 719, 720,
 igr2= 722, 723,
 &end
#
#    0 AMB  20-2:1707     0 AMB  20-1:1707   6.00    (#   1707:20  Double Ambig)
 &rst
  ixpk= 1707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 645, 646, 773, 774,
 igr2= 722, 723, 722, 723,
 &end
#
#    0 AMB  20-2:1708     0 AMB  20-1:1708   6.00    (#   1708:20  Double Ambig)
 &rst
  ixpk= 1708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1=1921,1922,1923, 737, 738, 645, 646,
 igr2= 722, 723, 722, 723, 722, 723,
 &end
#
#    0 AMB  20-2:1709    41 GLU  HG-         6.00    (#   1709:20  Single Ambig)
 &rst
  ixpk= 1709, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 734, 735, 773, 774, 740, 741,
 igr2= 722, 723,
 &end
#
#   44 LEU  HB+          41 GLU  HG-         8.00    (#   1710:20  Unique         5.83, 7.91 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 773, 774,
 igr2= 722, 723,
 &end
#
#   37 ARG  HG-          41 GLU  HG+         6.00    (#   1711:20  Unique         4.64, 6.83 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 722, 723,
 &end
#
#   43 GLN  HN           42 LYS  HB+         6.00    (#   1715:20  Unique         4.13, 4.37 A)
 &rst
  ixpk= 1715, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 734, 735,
 &end
#
#    6 THR  HN            0 AMB  20-1:1716   6.00    (#   1716:20  Single Ambig)
 &rst
  ixpk= 1716, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  65,  66,  65,  66,
 &end
#
#   42 LYS  HA           42 LYS  HB+         3.50    (#   1717:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1717, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 734, 735,
 &end
#
#   43 GLN  HA           42 LYS  HB+         8.00    (#   1718:20  Unique         4.51, 5.03 A)
 &rst
  ixpk= 1718, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 734, 735,
 &end
#
#    5 LYS  HA            0 AMB  20-1:1719   4.50    (#   1719:20  Single Ambig)
 &rst
  ixpk= 1719, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1720     0 AMB  20-1:1720   6.00    (#   1720:20  Double Ambig)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 717,  48, 158,
 igr2= 734, 735,  65,  66,  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1721     0 AMB  20-1:1721   8.00    (#   1721:20  Double Ambig)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 743, 744, 743, 744,
 igr2= 734, 735, 734, 735,
 &end
#
#    0 AMB  20-2:1722    42 LYS  HB-         6.00    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 743, 744, 743, 744,
 igr2= 734, 735,
 &end
#
#    0 AMB  20-2:1723     0 AMB  20-1:1723   2.80    (#   1723:20  Double Ambig)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=  71,  72,  68,  69,  68,  69, 737, 738,
 igr2=  65,  66,  65,  66,  65,  66, 734, 735,
 &end
#
#   42 LYS  HN           42 LYS  HG+         6.00    (#   1724:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 1724, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 737, 738,
 &end
#
#   42 LYS  HN           42 LYS  HG-         6.00    (#   1725:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 1725, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 737, 738,
 &end
#
#   43 GLN  HN           42 LYS  HG-         8.00    (#   1726:20  Unique         4.48, 5.34 A)
 &rst
  ixpk= 1726, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 737, 738,
 &end
#
#   42 LYS  HA           42 LYS  HG-         4.50    (#   1728:20  Unique         2.03, 3.00 A)
 &rst
  ixpk= 1728, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 737, 738,
 &end
#
#   42 LYS  HA           42 LYS  HG+         4.50    (#   1729:20  Unique         2.03, 3.00 A)
 &rst
  ixpk= 1729, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 737, 738,
 &end
#
#    0 AMB  20-2:1730    42 LYS  HG-         8.00    (#   1730:20  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 717, 667,
 igr2= 737, 738,
 &end
#
#    0 AMB  20-2:1731    42 LYS  HG-         6.00    (#   1731:20  Single Ambig)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 743, 744, 743, 744,
 igr2= 737, 738,
 &end
#
#   42 LYS  HB+          42 LYS  HG+         3.50    (#   1732:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 734, 735,
 igr2= 737, 738,
 &end
#
#   42 LYS  HB+          42 LYS  HG-         4.50    (#   1733:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 734, 735,
 igr2= 737, 738,
 &end
#
#   42 LYS  HD+          42 LYS  HG+         2.80    (#   1734:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 740, 741,
 igr2= 737, 738,
 &end
#
#   42 LYS  HD+          42 LYS  HG-         2.80    (#   1735:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 740, 741,
 igr2= 737, 738,
 &end
#
#   37 ARG  HG-          42 LYS  HG+         6.00    (#   1738:20  Unique         2.06, 5.13 A)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 737, 738,
 &end
#
#   42 LYS  HA           42 LYS  HD+         4.50    (#   1740:20  Unique         2.14, 3.18 A)
 &rst
  ixpk= 1740, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 740, 741,
 &end
#
#    0 AMB  20-2:1741     0 AMB  20-1:1741   3.50    (#   1741:20  Double Ambig)
 &rst
  ixpk= 1741, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 743, 744, 743, 744,
 igr2= 740, 741, 740, 741,
 &end
#
#    0 AMB  20-2:1742    42 LYS  HD-         3.50    (#   1742:20  Single Ambig)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 743, 744, 743, 744,
 igr2= 740, 741,
 &end
#
#   42 LYS  HB+          42 LYS  HD+         2.80    (#   1743:20  Unique         2.04, 3.09 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 734, 735,
 igr2= 740, 741,
 &end
#
#   42 LYS  HB+          42 LYS  HD-         4.50    (#   1744:20  Unique         2.04, 3.09 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 734, 735,
 igr2= 740, 741,
 &end
#
#   42 LYS  HG-          42 LYS  HD+         2.80    (#   1746:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 737, 738,
 igr2= 740, 741,
 &end
#
#   42 LYS  HG-          42 LYS  HD-         2.80    (#   1747:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 737, 738,
 igr2= 740, 741,
 &end
#
#    8 LYS  HN            0 AMB  20-1:1748   8.00    (#   1748:20  Single Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat= 117,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2= 743, 744, 743, 744,
 &end
#
#   41 GLU  HN            0 AMB  20-1:1749   6.00    (#   1749:20  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:1752     0 AMB  20-1:1752   4.50    (#   1752:20  Double Ambig)
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 645, 646, 645, 646,
 igr2= 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:1753     0 AMB  20-1:1753   4.50    (#   1753:20  Double Ambig)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 693, 694, 693, 694,
 igr2= 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:1755     0 AMB  20-1:1755   6.00    (#   1755:20  Double Ambig)
 &rst
  ixpk= 1755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 752,1573,
 igr2= 754,1575,
 &end
#
#   43 GLN  HB-          43 GLN  HA          6.00    (#   1756:20  Unique         2.25, 2.65 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 756, 757,
 &end
#
#   41 GLU  HG+          43 GLN  HA          6.00    (#   1757:20  Unique         3.32, 4.34 A)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 722, 723,
 &end
#
#    0 AMB  20-2:1758    43 GLN  HA          4.50    (#   1758:20  Single Ambig)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1, 754, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 756, 757, 722, 723,
 &end
#
#   44 LEU  HN           43 GLN  HB-         4.50    (#   1759:20  Unique         1.88, 2.72 A)
 &rst
  ixpk= 1759, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 756, 757,
 &end
#
#   78 ALA  HN           77 GLN  HB+         6.00    (#   1760:20  Unique         2.67, 3.84 A)
 &rst
  ixpk= 1760, nxpk= 20, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1346,1347,
 &end
#
#    0 AMB  20-2:1761     0 AMB  20-1:1761   3.50    (#   1761:20  Double Ambig)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 752,1720,
 igr2= 756, 757,1724,1725,
 &end
#
#    0 AMB  20-2:1762     0 AMB  20-1:1762   6.00    (#   1762:20  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 226, 234, 180,
 igr2= 274, 275, 274, 275,
 &end
#
#    0 AMB  20-2:1763     0 AMB  20-1:1763   4.50    (#   1763:20  Double Ambig)
 &rst
  ixpk= 1763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1722, 771,
 igr2=1724,1725, 756, 757,
 &end
#
#    0 AMB  20-2:1764    43 GLN  HB-         6.00    (#   1764:20  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 773, 774, 645, 646,
 igr2= 756, 757,
 &end
#
#   44 LEU  MDY          43 GLN  HB+         6.00    (#   1765:20  Unique         2.92, 5.59 A)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 756, 757,
 &end
#
#   44 LEU  HN           43 GLN  HG+         6.00    (#   1766:20  Unique         1.83, 3.81 A)
 &rst
  ixpk= 1766, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 759, 760,
 &end
#
#   44 LEU  HN           43 GLN  HG-         8.00    (#   1767:20  Unique         1.83, 3.81 A)
 &rst
  ixpk= 1767, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 759, 760,
 &end
#
#   43 GLN  HN           43 GLN  HG-         6.00    (#   1770:20  Unique         1.77, 2.79 A)
 &rst
  ixpk= 1770, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 759, 760,
 &end
#
#  116 GLN  HE2+         43 GLN  HG+         6.00    (#   1771:20  Unique         4.01, 6.32 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2= 759, 760,
 &end
#
#  116 GLN  HE2+         43 GLN  HG-         6.00    (#   1772:20  Unique         4.01, 6.32 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2= 759, 760,
 &end
#
#   44 LEU  HN           44 LEU  HB+         6.00    (#   1778:20  Unique         2.47, 3.11 A)
 &rst
  ixpk= 1778, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 773, 774,
 &end
#
#  113 TYR  HE           44 LEU  HB+         6.00    (#   1781:20  Unique         1.96, 5.06 A)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1906,1911,
 igr2= 773, 774,
 &end
#
#  113 TYR  HE           44 LEU  HB-         6.00    (#   1782:20  Unique         1.96, 5.06 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1906,1911,
 igr2= 773, 774,
 &end
#
#    0 AMB  20-2:1783     0 AMB  20-1:1783   6.00    (#   1783:20  Double Ambig)
 &rst
  ixpk= 1783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 771,1919,
 igr2= 773, 774, 773, 774,
 &end
#
#    0 AMB  20-2:1784    44 LEU  HB-         6.00    (#   1784:20  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 771,1919,
 igr2= 773, 774,
 &end
#
#   45 PRO  HD+          44 LEU  HB+         8.00    (#   1785:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 789, 790,
 igr2= 773, 774,
 &end
#
#   45 PRO  HD+          44 LEU  HB-         6.00    (#   1786:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2= 773, 774,
 &end
#
#   45 PRO  HD-          44 LEU  HB+         6.00    (#   1787:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1787, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2= 773, 774,
 &end
#
#   45 PRO  HD-          44 LEU  HB-         6.00    (#   1788:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2= 773, 774,
 &end
#
#   79 PHE  HB+          44 LEU  HB+         8.00    (#   1790:20  Unique         4.00, 6.94 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1373,1374,
 igr2= 773, 774,
 &end
#
#   41 GLU  HG-          44 LEU  HB+         6.00    (#   1791:20  Unique         5.83, 7.91 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 722, 723,
 igr2= 773, 774,
 &end
#
#    0 AMB  20-2:1792     0 AMB  20-1:1792   6.00    (#   1792:20  Double Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1900,1901, 759, 760, 795, 796,
 igr2= 773, 774, 773, 774, 773, 774,
 &end
#
#    0 AMB  20-2:1793    44 LEU  HB-         8.00    (#   1793:20  Single Ambig)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1900,1901, 759, 760,
 igr2= 773, 774,
 &end
#
#    0 AMB  20-2:1794     0 AMB  20-1:1794   6.00    (#   1794:20  Double Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 776, 792, 793,
 igr2= 773, 774, 773, 774,
 &end
#
#    0 AMB  20-2:1795    44 LEU  HB-         6.00    (#   1795:20  Single Ambig)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 776, 792, 793,
 igr2= 773, 774,
 &end
#
#   44 LEU  MDX          44 LEU  HB-         3.50    (#   1798:20  Unique         2.32, 3.26 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2= 773, 774,
 &end
#
#   73 LEU  MDY          44 LEU  HB-         8.00    (#   1799:20  Unique         1.78, 5.45 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 773, 774,
 &end
#
#  115 SER  HN           44 LEU  MDX         6.00    (#   1802:20  Unique         2.20, 4.58 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1927,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   44 LEU  HN           44 LEU  MDX         6.00    (#   1803:20  Unique         1.82, 4.09 A)
 &rst
  ixpk= 1803, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1804    44 LEU  MDX         6.00    (#   1804:20  Single Ambig)
 &rst
  ixpk= 1804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1389,1917,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1805    44 LEU  MDX         2.80    (#   1805:20  Single Ambig)
 &rst
  ixpk= 1805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1904,1913, 764, 765,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  113 TYR  HE           44 LEU  MDX         6.00    (#   1806:20  Unique         1.54, 5.44 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1906,1911,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1807    44 LEU  MDX         6.00    (#   1807:20  Single Ambig)
 &rst
  ixpk= 1807, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1371,1929,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  115 SER  HB+          44 LEU  MDX         6.00    (#   1808:20  Unique         1.63, 3.94 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1931,1932,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  115 SER  HB-          44 LEU  MDX         6.00    (#   1809:20  Unique         1.63, 3.94 A)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1931,1932,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1810    44 LEU  MDX         6.00    (#   1810:20  Single Ambig)
 &rst
  ixpk= 1810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1373,1374,1900,1901,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1813    44 LEU  MDX         3.50    (#   1813:20  Single Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 773, 774, 645, 646,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1815    44 LEU  MDX         6.00    (#   1815:20  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 645, 646,1921,1922,1923,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   73 LEU  MDX          44 LEU  MDX         6.00    (#   1819:20  Unique         1.28, 5.54 A)
 &rst
  ixpk= 1819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   82 LEU  HN           82 LEU  MDX         6.00    (#   1821:20  Unique         1.77, 4.09 A)
 &rst
  ixpk= 1821, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#    0 AMB  20-2:1827    82 LEU  MDX         8.00    (#   1827:20  Single Ambig)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1506,1507,1506,1507,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#  117 GLU  HA           82 LEU  MDX         6.00    (#   1828:20  Unique         1.74, 3.82 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#    0 AMB  20-2:1829    82 LEU  MDX         6.00    (#   1829:20  Single Ambig)
 &rst
  ixpk= 1829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1393,1394, 669, 670,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#  102 GLU  HN           99 TYR  HA          8.00    (#   1830:20  Unique         3.03, 3.36 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=1720,1675, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   46 VAL  HN           46 VAL  HA          6.00    (#   1831:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 1831, nxpk= 20, iat= 802, 804, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 LYS  HN           99 TYR  HA          8.00    (#   1832:20  Unique         3.90, 4.26 A)
 &rst
  ixpk= 1832, nxpk= 20, iat=1735,1675, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   99 TYR  HB+          99 TYR  HA          4.50    (#   1833:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1833, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1677,1678,
 &end
#
#   99 TYR  HB-          99 TYR  HA          3.50    (#   1834:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1677,1678,
 &end
#
#   31 ILE  QD1           0 AMB  20-1:1836   3.50    (#   1836:20  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 552, 553, 554,
 igr2=1633,1635,1636,1635,1636,
 &end
#
#   46 VAL  HB           46 VAL  HA          3.50    (#   1837:20  Unique         2.37, 2.54 A)
 &rst
  ixpk= 1837, nxpk= 20, iat= 806, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:1838    99 TYR  HA          8.00    (#   1838:20  Single Ambig)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1827,1828,1724,1725,
 &end
#
#  103 LYS  HE+          99 TYR  HA          8.00    (#   1839:20  Unique         6.02, 7.53 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1748,1749,
 &end
#
#   37 ARG  HD-          46 VAL  HA          6.00    (#   1840:20  Unique         3.41, 5.08 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 651, 652,
 &end
#
#   36 GLU  HA           46 VAL  HA          8.00    (#   1841:20  Unique         6.04, 6.18 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 628, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   47 LEU  HN           46 VAL  HA          3.50    (#   1842:20  Unique         2.13, 2.19 A)
 &rst
  ixpk= 1842, nxpk= 20, iat= 818, 804, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 HIS  HA           28 PRO  HB+         8.00    (#   1843:20  Unique         4.99, 5.38 A)
 &rst
  ixpk= 1843, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 496, 497,
 &end
#
#   45 PRO  HD-          45 PRO  HB+         6.00    (#   1844:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2= 795, 796,
 &end
#
#   45 PRO  HD-          45 PRO  HB-         6.00    (#   1845:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 789, 790,
 igr2= 795, 796,
 &end
#
#   45 PRO  HG-          45 PRO  HB-         2.80    (#   1847:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 1847, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 792, 793,
 igr2= 795, 796,
 &end
#
#   73 LEU  MDY          45 PRO  HB+         6.00    (#   1849:20  Unique         4.06, 7.92 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 795, 796,
 &end
#
#   46 VAL  HN           45 PRO  HG+         8.00    (#   1850:20  Unique         3.95, 4.99 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 802,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:1854     0 AMB  20-1:1854   8.00    (#   1854:20  Double Ambig)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=2051,2052,  11,  12,
 igr2=  25,  26,  25,  26,
 &end
#
#    0 AMB  20-2:1855     0 AMB  20-1:1855   2.80    (#   1855:20  Double Ambig)
 &rst
  ixpk= 1855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 795, 796, 795, 796,
 igr2= 792, 793, 825,
 &end
#
#   45 PRO  HB+          45 PRO  HG+         3.50    (#   1856:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 795, 796,
 igr2= 792, 793,
 &end
#
#   44 LEU  HB+          45 PRO  HG+         6.00    (#   1859:20  Unique         3.80, 5.37 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 773, 774,
 igr2= 792, 793,
 &end
#
#   73 LEU  HB-          45 PRO  HG+         6.00    (#   1860:20  Unique         2.76, 6.94 A)
 &rst
  ixpk= 1860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1289,1290,
 igr2= 792, 793,
 &end
#
#    0 AMB  20-2:1861     0 AMB  20-1:1861   6.00    (#   1861:20  Double Ambig)
 &rst
  ixpk= 1861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1253,1254,1289,1290,
 igr2= 825, 792, 793,
 &end
#
#    0 AMB  20-2:1862     0 AMB  20-1:1862   3.50    (#   1862:20  Double Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
      1299,1300,
 igr2= 825, 792, 793,
 &end
#
#  115 SER  HB+          45 PRO  HD-         8.00    (#   1868:20  Unique         6.40, 7.73 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1931,1932,
 igr2= 789, 790,
 &end
#
#   45 PRO  HB+          45 PRO  HD+         6.00    (#   1869:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   45 PRO  HB+          45 PRO  HD-         6.00    (#   1870:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 795, 796,
 igr2= 789, 790,
 &end
#
#   45 PRO  HG-          45 PRO  HD+         4.50    (#   1871:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 1871, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 792, 793,
 igr2= 789, 790,
 &end
#
#   44 LEU  HB-          45 PRO  HD+         6.00    (#   1872:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 773, 774,
 igr2= 789, 790,
 &end
#
#   44 LEU  HB+          45 PRO  HD+         6.00    (#   1873:20  Unique         2.00, 3.78 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 773, 774,
 igr2= 789, 790,
 &end
#
#   73 LEU  MDX          45 PRO  HD-         8.00    (#   1880:20  Unique         1.52, 5.94 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 789, 790,
 &end
#
#    0 AMB  20-2:1883   116 GLN  HA          2.80    (#   1883:20  Single Ambig)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1945,1946,1942,1943,
 &end
#
#    0 AMB  20-2:1884    47 LEU  HA          2.80    (#   1884:20  Single Ambig)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 825, 822, 823,
 &end
#
#   71 LEU  MDY          47 LEU  HA          6.00    (#   1885:20  Unique         4.44, 6.93 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#   48 ASP  HN           47 LEU  HB+         6.00    (#   1886:20  Unique         1.77, 3.04 A)
 &rst
  ixpk= 1886, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   48 ASP  HN           47 LEU  HB-         6.00    (#   1887:20  Unique         1.77, 3.04 A)
 &rst
  ixpk= 1887, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   47 LEU  HN           47 LEU  HB+         6.00    (#   1888:20  Unique         2.05, 2.93 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   47 LEU  HN           47 LEU  HB-         6.00    (#   1889:20  Unique         2.05, 2.93 A)
 &rst
  ixpk= 1889, nxpk= 20, iat= 818,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   49 LYS  HN           47 LEU  HB+         6.00    (#   1890:20  Unique         2.44, 4.64 A)
 &rst
  ixpk= 1890, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   49 LYS  HN           47 LEU  HB-         6.00    (#   1891:20  Unique         2.44, 4.64 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#   47 LEU  HA           47 LEU  HB-         6.00    (#   1893:20  Unique         2.29, 2.67 A)
 &rst
  ixpk= 1893, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 822, 823,
 &end
#
#    0 AMB  20-2:1896     0 AMB  20-1:1896   3.50    (#   1896:20  Double Ambig)
 &rst
  ixpk= 1896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2= 822, 823, 822, 823,
 &end
#
#    0 AMB  20-2:1897    47 LEU  HB-         3.50    (#   1897:20  Single Ambig)
 &rst
  ixpk= 1897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2= 822, 823,
 &end
#
#   71 LEU  MDY          47 LEU  HB+         6.00    (#   1898:20  Unique         1.88, 4.97 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2= 822, 823,
 &end
#
#   71 LEU  MDY          47 LEU  HB-         6.00    (#   1899:20  Unique         1.88, 4.97 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2= 822, 823,
 &end
#
#   72 GLN  HN           47 LEU  HG          8.00    (#   1900:20  Unique         2.60, 5.09 A)
 &rst
  ixpk= 1900, nxpk= 20, iat=1268, 825, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 GLN  HE2-         45 PRO  HG-         6.00    (#   1901:20  Unique         2.24, 6.20 A)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1354,1355,
 igr2= 792, 793,
 &end
#
#   71 LEU  MDX          47 LEU  HG          8.00    (#   1903:20  Unique         1.68, 5.08 A)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1, 825, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:1909     0 AMB  20-1:1909   2.80    (#   1909:20  Double Ambig)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1= 822, 823, 822, 823, 792, 793, 825, 795, 796,
 igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#   48 ASP  HN           48 ASP  HA          3.50    (#   1912:20  Unique         2.75, 2.85 A)
 &rst
  ixpk= 1912, nxpk= 20, iat= 837, 839, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LYS  HN           48 ASP  HA          6.00    (#   1913:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 1913, nxpk= 20, iat= 849, 839, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1915    48 ASP  HA          6.00    (#   1915:20  Single Ambig)
 &rst
  ixpk= 1915, nxpk= 20, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=  25,  26,   8,   9,2054,2055, 822, 823, 825,
 &end
#
#    0 AMB  20-2:1916    48 ASP  HA          6.00    (#   1916:20  Single Ambig)
 &rst
  ixpk= 1916, nxpk= 20, iat=  -1, 839, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 808, 809, 810, 812, 813, 814, 808, 809, 810, 812,
       813, 814,
 &end
#
#   49 LYS  HN           48 ASP  HB+         6.00    (#   1917:20  Unique         1.90, 4.12 A)
 &rst
  ixpk= 1917, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 841, 842,
 &end
#
#   49 LYS  HN           49 LYS  HA          6.00    (#   1920:20  Unique         2.79, 2.85 A)
 &rst
  ixpk= 1920, nxpk= 20, iat= 849, 851, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1921    49 LYS  HA          8.00    (#   1921:20  Single Ambig)
 &rst
  ixpk= 1921, nxpk= 20, iat=  -1, 851, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 862, 863, 841, 842,
 &end
#
#   49 LYS  HD+          49 LYS  HA          6.00    (#   1922:20  Unique         2.35, 4.39 A)
 &rst
  ixpk= 1922, nxpk= 20, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 859, 860,
 &end
#
#    0 AMB  20-2:1923    49 LYS  HA          6.00    (#   1923:20  Single Ambig)
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 853, 854, 859, 860,
 &end
#
#    0 AMB  20-2:1924    49 LYS  HA          6.00    (#   1924:20  Single Ambig)
 &rst
  ixpk= 1924, nxpk= 20, iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 856, 857, 856, 857,
 &end
#
#   50 THR  HN           49 LYS  HB+         6.00    (#   1925:20  Unique         1.66, 4.00 A)
 &rst
  ixpk= 1925, nxpk= 20, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#   50 THR  HN           49 LYS  HB-         6.00    (#   1926:20  Unique         1.66, 4.00 A)
 &rst
  ixpk= 1926, nxpk= 20, iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#   49 LYS  HN           49 LYS  HB+         6.00    (#   1927:20  Unique         2.42, 3.18 A)
 &rst
  ixpk= 1927, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#   49 LYS  HN           49 LYS  HB-         6.00    (#   1928:20  Unique         2.42, 3.18 A)
 &rst
  ixpk= 1928, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1931     0 AMB  20-1:1931   6.00    (#   1931:20  Double Ambig)
 &rst
  ixpk= 1931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 862, 863, 862, 863,
 igr2= 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1932    49 LYS  HB-         6.00    (#   1932:20  Single Ambig)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 862, 863, 862, 863,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1933     0 AMB  20-1:1933   6.00    (#   1933:20  Double Ambig)
 &rst
  ixpk= 1933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 825,2160,  25,  26,
 igr2= 853, 854, 853, 854, 853, 854,
 &end
#
#    2 PRO  HB-          49 LYS  HB+         6.00    (#   1934:20  Unique         4.51, 6.02 A)
 &rst
  ixpk= 1934, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  28,  29,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1935    49 LYS  HB-         8.00    (#   1935:20  Single Ambig)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1229,1230,1229,1230,
 igr2= 853, 854,
 &end
#
#  123 GLU  HG-          49 LYS  HB-         8.00    (#   1936:20  Unique         1.92, 3.76 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2054,2055,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1937     0 AMB  20-1:1937   4.50    (#   1937:20  Double Ambig)
 &rst
  ixpk= 1937, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1232,1233, 617, 618,
 igr2= 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1938    49 LYS  HB-         6.00    (#   1938:20  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1232,1233, 617, 618,
 igr2= 853, 854,
 &end
#
#    0 AMB  20-2:1940     0 AMB  20-1:1940   2.80    (#   1940:20  Double Ambig)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 856, 857, 856, 857,
 igr2= 853, 854, 853, 854,
 &end
#
#    0 AMB  20-2:1941    49 LYS  HB-         2.80    (#   1941:20  Single Ambig)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 856, 857, 856, 857,
 igr2= 853, 854,
 &end
#
#   44 LEU  HN           44 LEU  MDY         6.00    (#   1943:20  Unique         1.82, 4.09 A)
 &rst
  ixpk= 1943, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1944    44 LEU  MDY         8.00    (#   1944:20  Single Ambig)
 &rst
  ixpk= 1944, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1389,1917,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   77 GLN  HE2+         44 LEU  MDY         6.00    (#   1945:20  Unique         1.88, 5.64 A)
 &rst
  ixpk= 1945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1354,1355,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   50 THR  HN            0 AMB  20-1:1946   8.00    (#   1946:20  Single Ambig)
 &rst
  ixpk= 1946, nxpk= 20, iat= 871,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2= 856, 857, 856, 857,
 &end
#
#   77 GLN  HE2-         44 LEU  MDY         6.00    (#   1947:20  Unique         1.88, 5.64 A)
 &rst
  ixpk= 1947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1354,1355,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   52 PHE  HD            0 AMB  20-1:1948   6.00    (#   1948:20  Single Ambig)
 &rst
  ixpk= 1948, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 915, 923,
 igr2= 856, 857, 856, 857,
 &end
#
#   79 PHE  HD           44 LEU  MDY         4.50    (#   1949:20  Unique         2.53, 6.71 A)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1377,1385,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  113 TYR  HE           44 LEU  MDY         6.00    (#   1950:20  Unique         1.54, 5.44 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1906,1911,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1951    44 LEU  MDY         3.50    (#   1951:20  Single Ambig)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1919, 771,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  115 SER  HB+          44 LEU  MDY         6.00    (#   1952:20  Unique         1.63, 3.94 A)
 &rst
  ixpk= 1952, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1931,1932,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   45 PRO  HD+          44 LEU  MDY         4.50    (#   1953:20  Unique         2.84, 5.39 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 789, 790,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  115 SER  HB-          44 LEU  MDY         6.00    (#   1954:20  Unique         1.63, 3.94 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1931,1932,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   45 PRO  HD-          44 LEU  MDY         6.00    (#   1957:20  Unique         2.84, 5.39 A)
 &rst
  ixpk= 1957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 789, 790,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   77 GLN  HG-          44 LEU  MDY         4.50    (#   1958:20  Unique         2.62, 5.92 A)
 &rst
  ixpk= 1958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1349,1350,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1959     0 AMB  20-1:1959   2.80    (#   1959:20  Double Ambig)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.37, r4= 5.87,
 igr1=2054,2055,2054,2055, 776,
 igr2= 856, 857, 856, 857, 778, 779, 780, 782, 783, 784,
      
 &end
#
#    0 AMB  20-2:1960    44 LEU  MDY         2.80    (#   1960:20  Single Ambig)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 773, 774, 645, 646,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  20-2:1961     0 AMB  20-1:1961   2.80    (#   1961:20  Double Ambig)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 859, 860, 859, 860,
 igr2= 856, 857, 856, 857,
 &end
#
#   49 LYS  HD-           0 AMB  20-1:1962   2.80    (#   1962:20  Single Ambig)
 &rst
  ixpk= 1962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 859, 860,
 igr2= 856, 857, 856, 857,
 &end
#
#   49 LYS  HB-           0 AMB  20-1:1963   2.80    (#   1963:20  Single Ambig)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 853, 854,
 igr2= 856, 857, 856, 857,
 &end
#
#   73 LEU  MDY          44 LEU  MDY         2.80    (#   1964:20  Unique         1.28, 5.54 A)
 &rst
  ixpk= 1964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   73 LEU  MDX          44 LEU  MDY         4.50    (#   1965:20  Unique         1.28, 5.54 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   71 LEU  MDX           0 AMB  20-1:1966   6.00    (#   1966:20  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2= 856, 857, 856, 857,
 &end
#
#   70 ARG  HN           49 LYS  HD+         6.00    (#   1968:20  Unique         4.27, 6.27 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 859, 860,
 &end
#
#   49 LYS  HA           49 LYS  HD-         6.00    (#   1970:20  Unique         2.35, 4.39 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:1974     0 AMB  20-1:1974   3.50    (#   1974:20  Double Ambig)
 &rst
  ixpk= 1974, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 862, 863, 862, 863,
 igr2= 859, 860, 859, 860,
 &end
#
#    0 AMB  20-2:1975    49 LYS  HD-         4.50    (#   1975:20  Single Ambig)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 862, 863, 862, 863,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:1978     0 AMB  20-1:1978   4.50    (#   1978:20  Double Ambig)
 &rst
  ixpk= 1978, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 856, 857, 856, 857,
 igr2= 859, 860, 859, 860,
 &end
#
#    0 AMB  20-2:1979    49 LYS  HD-         3.50    (#   1979:20  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 856, 857, 856, 857,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:1980     0 AMB  20-1:1980   4.50    (#   1980:20  Double Ambig)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2= 859, 860, 859, 860,
 &end
#
#    0 AMB  20-2:1981     0 AMB  20-1:1981   6.00    (#   1981:20  Double Ambig)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  63, 851,
 igr2=  74,  75,  74,  75, 862, 863,
 &end
#
#   66 ILE  HA            0 AMB  20-1:1982   6.00    (#   1982:20  Single Ambig)
 &rst
  ixpk= 1982, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1130,1131,1130,1131,
 &end
#
#    0 AMB  20-2:1984     0 AMB  20-1:1984   3.50    (#   1984:20  Double Ambig)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1229,1230,1229,1230,2240,2241,
 igr2= 862, 863, 862, 863, 530, 531, 530, 531,
 &end
#
#    0 AMB  20-2:1985     0 AMB  20-1:1985   2.80    (#   1985:20  Double Ambig)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 859, 860, 859, 860,2179,
 igr2= 862, 863, 862, 863, 862, 863,
 &end
#
#   49 LYS  HD-          49 LYS  HE+         2.80    (#   1986:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 859, 860,
 igr2= 862, 863,
 &end
#
#    0 AMB  20-2:1987     0 AMB  20-1:1987   4.50    (#   1987:20  Double Ambig)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.53, r4=10.03,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,1145,1146,1147,
 igr2= 862, 863, 862, 863,1130,1131,
 &end
#
#   51 LYS  HN           50 THR  HB          6.00    (#   1990:20  Unique         1.85, 3.04 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 885, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:1991    50 THR  HB          6.00    (#   1991:20  Single Ambig)
 &rst
  ixpk= 1991, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=   6, 628,
 &end
#
#   50 THR  HA           50 THR  HB          6.00    (#   1992:20  Unique         2.89, 2.97 A)
 &rst
  ixpk= 1992, nxpk= 20, iat= 873, 875, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 LYS  HG+          50 THR  HB          6.00    (#   1993:20  Unique         2.26, 4.10 A)
 &rst
  ixpk= 1993, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 892, 893,
 &end
#
#   34 ILE  QG2          50 THR  HB          6.00    (#   1994:20  Unique         4.11, 5.89 A)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 594, 595, 596,
 &end
#
#   11 ARG  HG+          50 THR  HB          8.00    (#   1995:20  Unique         5.25, 7.99 A)
 &rst
  ixpk= 1995, nxpk= 20, iat=  -1, 875, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 187, 188,
 &end
#
#   35 ILE  HN           50 THR  MG2         6.00    (#   1997:20  Unique         3.35, 5.50 A)
 &rst
  ixpk= 1997, nxpk= 20, iat= 607,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 877, 878, 879,
 &end
#
#    0 AMB  20-2:1998    50 THR  MG2         6.00    (#   1998:20  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 871, 818,
 igr2= 877, 878, 879,
 &end
#
#    0 AMB  20-2:2001    50 THR  MG2         6.00    (#   2001:20  Single Ambig)
 &rst
  ixpk= 2001, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 105, 113, 885,
 igr2= 877, 878, 879,
 &end
#
#   50 THR  HA           50 THR  MG2         4.50    (#   2002:20  Unique         2.35, 2.96 A)
 &rst
  ixpk= 2002, nxpk= 20, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 877, 878, 879,
 &end
#
#    7 PHE  HB+          50 THR  MG2         6.00    (#   2003:20  Unique         1.73, 3.20 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 101, 102,
 igr2= 877, 878, 879,
 &end
#
#    0 AMB  20-2:2005    50 THR  MG2         4.50    (#   2005:20  Single Ambig)
 &rst
  ixpk= 2005, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 633, 634, 633, 634,
 igr2= 877, 878, 879,
 &end
#
#   34 ILE  QG2          50 THR  MG2         6.00    (#   2006:20  Unique         2.79, 5.39 A)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 594, 595, 596,
 igr2= 877, 878, 879,
 &end
#
#   52 PHE  HN           51 LYS  HA          6.00    (#   2008:20  Unique         2.13, 2.31 A)
 &rst
  ixpk= 2008, nxpk= 20, iat= 907, 887, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  QD1          51 LYS  HA          8.00    (#   2009:20  Unique         3.67, 6.18 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 601, 602, 603,
 &end
#
#   52 PHE  HN           51 LYS  HB+         8.00    (#   2010:20  Unique         2.28, 3.34 A)
 &rst
  ixpk= 2010, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 889, 890,
 &end
#
#   51 LYS  HN           51 LYS  HB+         6.00    (#   2011:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 2011, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   51 LYS  HN           51 LYS  HB-         8.00    (#   2012:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 2012, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 889, 890,
 &end
#
#  129 TYR  HE           51 LYS  HB-         8.00    (#   2013:20  Unique         4.37, 7.19 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2130,2135,
 igr2= 889, 890,
 &end
#
#  129 TYR  HH           51 LYS  HB+         8.00    (#   2014:20  Unique         4.67, 6.90 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 889, 890,
 &end
#
#   51 LYS  HA           51 LYS  HB+         6.00    (#   2015:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 2015, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   51 LYS  HA           51 LYS  HB-         6.00    (#   2016:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 2016, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   51 LYS  HD+          51 LYS  HB-         6.00    (#   2019:20  Unique         2.02, 3.48 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 895, 896,
 igr2= 889, 890,
 &end
#
#   51 LYS  HG-          51 LYS  HB+         6.00    (#   2021:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 2021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 892, 893,
 igr2= 889, 890,
 &end
#
#   51 LYS  HG-          51 LYS  HB-         6.00    (#   2022:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 2022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 892, 893,
 igr2= 889, 890,
 &end
#
#   34 ILE  QD1          51 LYS  HB+         8.00    (#   2023:20  Unique         2.19, 6.36 A)
 &rst
  ixpk= 2023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 601, 602, 603,
 igr2= 889, 890,
 &end
#
#   34 ILE  QD1          51 LYS  HB-         8.00    (#   2024:20  Unique         2.19, 6.36 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 601, 602, 603,
 igr2= 889, 890,
 &end
#
#   51 LYS  HN           51 LYS  HG-         8.00    (#   2025:20  Unique         1.84, 3.76 A)
 &rst
  ixpk= 2025, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 892, 893,
 &end
#
#   51 LYS  HA           51 LYS  HG-         6.00    (#   2026:20  Unique         2.12, 3.23 A)
 &rst
  ixpk= 2026, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 892, 893,
 &end
#
#   51 LYS  HD+          51 LYS  HG-         6.00    (#   2028:20  Unique         2.22, 2.62 A)
 &rst
  ixpk= 2028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 895, 896,
 igr2= 892, 893,
 &end
#
#    0 AMB  20-2:2029    51 LYS  HG-         4.50    (#   2029:20  Single Ambig)
 &rst
  ixpk= 2029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.99, r4= 7.49,
 igr1= 877, 878, 879, 895, 896, 889, 890,
 igr2= 892, 893,
 &end
#
#   34 ILE  QD1          51 LYS  HG-         6.00    (#   2031:20  Unique         1.84, 5.77 A)
 &rst
  ixpk= 2031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 601, 602, 603,
 igr2= 892, 893,
 &end
#
#    0 AMB  20-2:2032     0 AMB  20-1:2032   6.00    (#   2032:20  Double Ambig)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 180, 139,
 igr2= 895, 896, 895, 896,
 &end
#
#    7 PHE  HE           51 LYS  HD+         6.00    (#   2033:20  Unique         3.15, 6.25 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 111,
 igr2= 895, 896,
 &end
#
#    7 PHE  HE           51 LYS  HD-         6.00    (#   2034:20  Unique         3.15, 6.25 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 111,
 igr2= 895, 896,
 &end
#
#    0 AMB  20-2:2036     0 AMB  20-1:2036   6.00    (#   2036:20  Double Ambig)
 &rst
  ixpk= 2036, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 628, 948,
 igr2= 895, 896,1622,1623,
 &end
#
#   50 THR  HA           51 LYS  HD+         8.00    (#   2038:20  Unique         3.67, 4.94 A)
 &rst
  ixpk= 2038, nxpk= 20, iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 895, 896,
 &end
#
#   51 LYS  HA           51 LYS  HD-         8.00    (#   2039:20  Unique         1.94, 3.43 A)
 &rst
  ixpk= 2039, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 895, 896,
 &end
#
#    0 AMB  20-2:2040    51 LYS  HD-         8.00    (#   2040:20  Single Ambig)
 &rst
  ixpk= 2040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2066,2067,  85,
 igr2= 895, 896,
 &end
#
#   95 ILE  HA           95 ILE  HG1-        4.50    (#   2041:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 2041, nxpk= 20, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1622,1623,
 &end
#
#   95 ILE  HA           95 ILE  HG1+        6.00    (#   2042:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 2042, nxpk= 20, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1622,1623,
 &end
#
#  123 GLU  HB-          51 LYS  HD-         8.00    (#   2043:20  Unique         5.68, 7.92 A)
 &rst
  ixpk= 2043, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2051,2052,
 igr2= 895, 896,
 &end
#
#   98 VAL  HB           95 ILE  HG1-        6.00    (#   2044:20  Unique         2.56, 3.09 A)
 &rst
  ixpk= 2044, nxpk= 20, iat=1661,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1622,1623,
 &end
#
#   98 VAL  HB           95 ILE  HG1+        6.00    (#   2045:20  Unique         2.56, 3.09 A)
 &rst
  ixpk= 2045, nxpk= 20, iat=1661,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:2048     0 AMB  20-1:2048   2.80    (#   2048:20  Double Ambig)
 &rst
  ixpk= 2048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.66, r4= 6.16,
 igr1= 892, 893,1618,1619,1620, 578, 579, 580, 582, 583,
       584, 578, 579, 580, 582, 583, 584,
 igr2= 895, 896,1622,1623,
 &end
#
#    0 AMB  20-2:2049     0 AMB  20-1:2049   2.80    (#   2049:20  Double Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 892, 893,1618,1619,1620, 578, 579, 580, 582, 583,
       584, 578, 579, 580, 582, 583, 584,
 igr2= 895, 896,1622,1623,1622,1623,1622,1623,
 &end
#
#    0 AMB  20-2:2050    95 ILE  HG1-        3.50    (#   2050:20  Single Ambig)
 &rst
  ixpk= 2050, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:2051     0 AMB  20-1:2051   3.50    (#   2051:20  Double Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
 igr2=1622,1623,1622,1623,
 &end
#
#    0 AMB  20-2:2052     0 AMB  20-1:2052   6.00    (#   2052:20  Double Ambig)
 &rst
  ixpk= 2052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 892, 893, 545, 546, 547,
 igr2= 895, 896,1622,1623,
 &end
#
#   34 ILE  HG1-         51 LYS  HD-         6.00    (#   2053:20  Unique         1.93, 4.83 A)
 &rst
  ixpk= 2053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 598, 599,
 igr2= 895, 896,
 &end
#
#   31 ILE  QG2          95 ILE  HG1+        4.50    (#   2054:20  Unique         2.38, 4.90 A)
 &rst
  ixpk= 2054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 545, 546, 547,
 igr2=1622,1623,
 &end
#
#   34 ILE  HA           51 LYS  HE+         6.00    (#   2059:20  Unique         2.13, 4.88 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 898, 899,
 &end
#
#   34 ILE  HA           51 LYS  HE-         6.00    (#   2060:20  Unique         2.13, 4.88 A)
 &rst
  ixpk= 2060, nxpk= 20, iat= 590,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 898, 899,
 &end
#
#   51 LYS  HA           51 LYS  HE-         8.00    (#   2061:20  Unique         2.20, 4.64 A)
 &rst
  ixpk= 2061, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 898, 899,
 &end
#
#    0 AMB  20-2:2066     0 AMB  20-1:2066   6.00    (#   2066:20  Double Ambig)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 895, 896, 184, 185,
 igr2= 898, 899, 898, 899,
 &end
#
#    0 AMB  20-2:2067    51 LYS  HE-         6.00    (#   2067:20  Single Ambig)
 &rst
  ixpk= 2067, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 895, 896, 184, 185,
 igr2= 898, 899,
 &end
#
#    0 AMB  20-2:2068    51 LYS  HE-         6.00    (#   2068:20  Single Ambig)
 &rst
  ixpk= 2068, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 889, 890, 895, 896, 187, 188,
 igr2= 898, 899,
 &end
#
#    0 AMB  20-2:2069     0 AMB  20-1:2069   4.50    (#   2069:20  Double Ambig)
 &rst
  ixpk= 2069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 889, 890, 895, 896, 187, 188,
 igr2= 898, 899, 898, 899, 898, 899,
 &end
#
#    0 AMB  20-2:2071    51 LYS  HE-         6.00    (#   2071:20  Single Ambig)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 892, 893, 184, 185,
 igr2= 898, 899,
 &end
#
#   51 LYS  HG-          51 LYS  HE+         8.00    (#   2072:20  Unique         1.99, 3.29 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 892, 893,
 igr2= 898, 899,
 &end
#
#   52 PHE  HN           52 PHE  HA          6.00    (#   2074:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2074, nxpk= 20, iat= 907, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 LEU  HN           52 PHE  HA          3.50    (#   2075:20  Unique         2.15, 2.24 A)
 &rst
  ixpk= 2075, nxpk= 20, iat= 927, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  124 SER  HN           52 PHE  HA          8.00    (#   2076:20  Unique         4.74, 4.99 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=2062, 909, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 PHE  HD           52 PHE  HA          6.00    (#   2077:20  Unique         2.25, 3.98 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 915, 923,
 &end
#
#    0 AMB  20-2:2078    52 PHE  HA          6.00    (#   2078:20  Single Ambig)
 &rst
  ixpk= 2078, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 887, 851,
 &end
#
#   52 PHE  HB+          52 PHE  HA          4.50    (#   2079:20  Unique         2.22, 2.51 A)
 &rst
  ixpk= 2079, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 911, 912,
 &end
#
#    0 AMB  20-2:2081    52 PHE  HA          6.00    (#   2081:20  Single Ambig)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2176,2177, 617, 618,
 &end
#
#  131 VAL  MGY          52 PHE  HA          6.00    (#   2082:20  Unique         1.53, 2.93 A)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2162,2163,2164,2166,2167,2168,
 &end
#
#   52 PHE  HN           52 PHE  HB+         6.00    (#   2083:20  Unique         2.59, 3.37 A)
 &rst
  ixpk= 2083, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   52 PHE  HN           52 PHE  HB-         6.00    (#   2084:20  Unique         2.59, 3.37 A)
 &rst
  ixpk= 2084, nxpk= 20, iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   53 LEU  HN           52 PHE  HB+         6.00    (#   2085:20  Unique         2.33, 3.62 A)
 &rst
  ixpk= 2085, nxpk= 20, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   53 LEU  HN           52 PHE  HB-         6.00    (#   2086:20  Unique         2.33, 3.62 A)
 &rst
  ixpk= 2086, nxpk= 20, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   52 PHE  HD           52 PHE  HB+         4.50    (#   2087:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 915, 923,
 igr2= 911, 912,
 &end
#
#   52 PHE  HA           52 PHE  HB+         6.00    (#   2089:20  Unique         2.22, 2.51 A)
 &rst
  ixpk= 2089, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   52 PHE  HA           52 PHE  HB-         6.00    (#   2090:20  Unique         2.22, 2.51 A)
 &rst
  ixpk= 2090, nxpk= 20, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   33 VAL  HB           52 PHE  HB+         6.00    (#   2093:20  Unique         1.79, 4.55 A)
 &rst
  ixpk= 2093, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#   33 VAL  HB           52 PHE  HB-         6.00    (#   2094:20  Unique         1.79, 4.55 A)
 &rst
  ixpk= 2094, nxpk= 20, iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 911, 912,
 &end
#
#    0 AMB  20-2:2095    52 PHE  HB-         6.00    (#   2095:20  Single Ambig)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2176,2177, 617, 618,
 igr2= 911, 912,
 &end
#
#   35 ILE  QD1          52 PHE  HB+         8.00    (#   2097:20  Unique         3.29, 5.57 A)
 &rst
  ixpk= 2097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 620, 621, 622,
 igr2= 911, 912,
 &end
#
#   35 ILE  QD1          52 PHE  HB-         8.00    (#   2098:20  Unique         3.29, 5.57 A)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 620, 621, 622,
 igr2= 911, 912,
 &end
#
#   33 VAL  HN           53 LEU  HA          6.00    (#   2099:20  Unique         2.53, 2.86 A)
 &rst
  ixpk= 2099, nxpk= 20, iat= 572, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 VAL  HN           53 LEU  HA          3.50    (#   2100:20  Unique         2.13, 2.28 A)
 &rst
  ixpk= 2100, nxpk= 20, iat= 946, 929, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   53 LEU  HN           53 LEU  HA          6.00    (#   2101:20  Unique         2.90, 2.96 A)
 &rst
  ixpk= 2101, nxpk= 20, iat= 927, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HB+          53 LEU  HA          6.00    (#   2102:20  Unique         5.03, 6.51 A)
 &rst
  ixpk= 2102, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 521, 522,
 &end
#
#   53 LEU  HB+          53 LEU  HA          6.00    (#   2103:20  Unique         2.23, 2.77 A)
 &rst
  ixpk= 2103, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 931, 932,
 &end
#
#   53 LEU  HG           53 LEU  HA          6.00    (#   2104:20  Unique         2.13, 2.42 A)
 &rst
  ixpk= 2104, nxpk= 20, iat= 934, 929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2105    53 LEU  HA          4.50    (#   2105:20  Single Ambig)
 &rst
  ixpk= 2105, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 578, 579, 580, 582, 583, 584, 931, 932,
 &end
#
#   53 LEU  MDY          53 LEU  HA          4.50    (#   2106:20  Unique         2.42, 4.10 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  MDX          53 LEU  HA          6.00    (#   2107:20  Unique         2.42, 4.10 A)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1, 929, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HN           53 LEU  HB+         6.00    (#   2108:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 931, 932,
 &end
#
#   54 VAL  HN           53 LEU  HB-         8.00    (#   2109:20  Unique         2.49, 3.50 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 931, 932,
 &end
#
#   53 LEU  HN           53 LEU  HB-         6.00    (#   2110:20  Unique         2.32, 3.10 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 931, 932,
 &end
#
#   53 LEU  HA           53 LEU  HB+         6.00    (#   2111:20  Unique         2.23, 2.77 A)
 &rst
  ixpk= 2111, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 931, 932,
 &end
#
#   53 LEU  HA           53 LEU  HB-         6.00    (#   2112:20  Unique         2.23, 2.77 A)
 &rst
  ixpk= 2112, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 931, 932,
 &end
#
#   55 PRO  HD+          53 LEU  HB+         6.00    (#   2116:20  Unique         4.88, 6.29 A)
 &rst
  ixpk= 2116, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 931, 932,
 &end
#
#   30 LYS  HB+          53 LEU  HB+         6.00    (#   2117:20  Unique         3.75, 5.61 A)
 &rst
  ixpk= 2117, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 521, 522,
 igr2= 931, 932,
 &end
#
#   53 LEU  HG           53 LEU  HB+         6.00    (#   2118:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 2118, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 931, 932,
 &end
#
#   53 LEU  HG           53 LEU  HB-         4.50    (#   2121:20  Unique         2.45, 2.81 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 931, 932,
 &end
#
#   23 ILE  QD1          53 LEU  HB+         6.00    (#   2122:20  Unique         4.40, 6.19 A)
 &rst
  ixpk= 2122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 409, 410, 411,
 igr2= 931, 932,
 &end
#
#   53 LEU  MDY          53 LEU  HB+         6.00    (#   2123:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 931, 932,
 &end
#
#   53 LEU  MDY          53 LEU  HB-         6.00    (#   2124:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 931, 932,
 &end
#
#   53 LEU  MDX          53 LEU  HB-         6.00    (#   2125:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 931, 932,
 &end
#
#   53 LEU  MDX          53 LEU  HB+         6.00    (#   2126:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2126, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 931, 932,
 &end
#
#   53 LEU  HN           53 LEU  HG          6.00    (#   2127:20  Unique         2.24, 3.72 A)
 &rst
  ixpk= 2127, nxpk= 20, iat= 927, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 ARG  HN           11 ARG  HG-         8.00    (#   2128:20  Unique         1.98, 3.17 A)
 &rst
  ixpk= 2128, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 187, 188,
 &end
#
#   37 ARG  HE           37 ARG  HG-         6.00    (#   2129:20  Unique         2.14, 3.28 A)
 &rst
  ixpk= 2129, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 649,
 &end
#
#   53 LEU  HA           53 LEU  HG          8.00    (#   2130:20  Unique         2.13, 2.42 A)
 &rst
  ixpk= 2130, nxpk= 20, iat= 929, 934, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:2131     0 AMB  20-1:2131   6.00    (#   2131:20  Double Ambig)
 &rst
  ixpk= 2131, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 732, 182,
 igr2= 648, 649, 187, 188,
 &end
#
#    0 AMB  20-2:2132    11 ARG  HG-         3.50    (#   2132:20  Single Ambig)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 190, 191, 190, 191,
 igr2= 187, 188,
 &end
#
#    0 AMB  20-2:2134     0 AMB  20-1:2134   4.50    (#   2134:20  Double Ambig)
 &rst
  ixpk= 2134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.69, r4=10.19,
 igr1= 184, 185, 578, 579, 580, 582, 583, 584, 578, 579,
       580, 582, 583, 584, 808, 809, 810, 812, 813, 814,
      
 igr2= 187, 188, 934, 648, 649,
 &end
#
#   53 LEU  MDY          53 LEU  HG          6.00    (#   2135:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2135, nxpk= 20, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  MDX          53 LEU  HG          6.00    (#   2136:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#  129 TYR  HE           53 LEU  MDX         6.00    (#   2139:20  Unique         1.55, 4.79 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2130,2135,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   27 HIS  HD2          53 LEU  MDX         6.00    (#   2140:20  Unique         5.22, 7.34 A)
 &rst
  ixpk= 2140, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HA           53 LEU  MDX         6.00    (#   2141:20  Unique         2.42, 4.10 A)
 &rst
  ixpk= 2141, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   32 PRO  HB+          53 LEU  MDX         8.00    (#   2143:20  Unique         1.98, 4.90 A)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 565, 566,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HB+          53 LEU  MDX         4.50    (#   2144:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2144, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 931, 932,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#    0 AMB  20-2:2145    53 LEU  MDX         3.50    (#   2145:20  Single Ambig)
 &rst
  ixpk= 2145, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 934, 889, 890,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   23 ILE  QG2          53 LEU  MDX         2.80    (#   2146:20  Unique         2.77, 5.49 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 402, 403, 404,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   33 VAL  HN           53 LEU  MDY         6.00    (#   2147:20  Unique         2.39, 4.87 A)
 &rst
  ixpk= 2147, nxpk= 20, iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   54 VAL  HN           53 LEU  MDY         6.00    (#   2148:20  Unique         2.25, 5.03 A)
 &rst
  ixpk= 2148, nxpk= 20, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HN           53 LEU  MDY         8.00    (#   2149:20  Unique         3.25, 5.07 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 927,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   27 HIS  HD2          53 LEU  MDY         8.00    (#   2152:20  Unique         5.22, 7.34 A)
 &rst
  ixpk= 2152, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HA           53 LEU  MDY         2.80    (#   2153:20  Unique         2.42, 4.10 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 929,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   23 ILE  HA           53 LEU  MDY         6.00    (#   2156:20  Unique         5.89, 7.86 A)
 &rst
  ixpk= 2156, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   32 PRO  HG+          53 LEU  MDY         6.00    (#   2158:20  Unique         3.71, 6.44 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 562, 563,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   32 PRO  HB+          53 LEU  MDY         6.00    (#   2159:20  Unique         1.98, 4.90 A)
 &rst
  ixpk= 2159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 565, 566,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   32 PRO  HB-          53 LEU  MDY         6.00    (#   2160:20  Unique         1.98, 4.90 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 565, 566,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   30 LYS  HB+          53 LEU  MDY         6.00    (#   2161:20  Unique         1.91, 5.47 A)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 521, 522,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HB+          53 LEU  MDY         4.50    (#   2162:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 931, 932,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#    0 AMB  20-2:2163    53 LEU  MDY         2.80    (#   2163:20  Single Ambig)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 934, 889, 890,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#    0 AMB  20-2:2164    53 LEU  MDY         2.80    (#   2164:20  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1= 931, 932, 402, 403, 404,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   23 ILE  QD1          53 LEU  MDY         4.50    (#   2165:20  Unique         2.34, 4.94 A)
 &rst
  ixpk= 2165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 409, 410, 411,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   31 ILE  HN           54 VAL  HB          6.00    (#   2167:20  Unique         3.92, 4.26 A)
 &rst
  ixpk= 2167, nxpk= 20, iat= 539, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 VAL  HN           54 VAL  HB          4.50    (#   2168:20  Unique         2.20, 2.56 A)
 &rst
  ixpk= 2168, nxpk= 20, iat= 946, 950, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           54 VAL  HB          6.00    (#   2169:20  Unique         4.02, 4.13 A)
 &rst
  ixpk= 2169, nxpk= 20, iat= 929, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2170     0 AMB  20-1:2170   4.50    (#   2170:20  Double Ambig)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 628, 948,
 igr2= 630, 631, 950,
 &end
#
#    0 AMB  20-2:2171    54 VAL  HB          2.80    (#   2171:20  Single Ambig)
 &rst
  ixpk= 2171, nxpk= 20, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 543,1616,
 &end
#
#    0 AMB  20-2:2172     0 AMB  20-1:2172   2.80    (#   2172:20  Double Ambig)
 &rst
  ixpk= 2172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 952, 953, 954, 956, 957, 958,1886,1887,1888,1890,
      1891,1892,
 igr2= 950, 630, 631,
 &end
#
#    0 AMB  20-2:2173    54 VAL  HB          2.80    (#   2173:20  Single Ambig)
 &rst
  ixpk= 2173, nxpk= 20, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 &end
#
#    0 AMB  20-2:2174    54 VAL  HB          4.50    (#   2174:20  Single Ambig)
 &rst
  ixpk= 2174, nxpk= 20, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
 &end
#
#   31 ILE  QG2          54 VAL  HB          8.00    (#   2175:20  Unique         3.87, 5.05 A)
 &rst
  ixpk= 2175, nxpk= 20, iat=  -1, 950, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  20-2:2176    54 VAL  MGX         6.00    (#   2176:20  Single Ambig)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 946,1022,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#    0 AMB  20-2:2177    54 VAL  MGY         4.50    (#   2177:20  Single Ambig)
 &rst
  ixpk= 2177, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 946,1022,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   98 VAL  HN           83 VAL  MGY         6.00    (#   2178:20  Unique         5.85, 7.68 A)
 &rst
  ixpk= 2178, nxpk= 20, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1453,1454,1455,1457,1458,1459,
 &end
#
#    0 AMB  20-2:2179    54 VAL  MGY         6.00    (#   2179:20  Single Ambig)
 &rst
  ixpk= 2179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 929,1024,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   54 VAL  HA           54 VAL  MGY         4.50    (#   2180:20  Unique         2.34, 3.18 A)
 &rst
  ixpk= 2180, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   55 PRO  HD-          54 VAL  MGX         6.00    (#   2181:20  Unique         1.91, 3.75 A)
 &rst
  ixpk= 2181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 963, 964,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   56 ASP  HB+          54 VAL  MGY         6.00    (#   2182:20  Unique         4.09, 6.94 A)
 &rst
  ixpk= 2182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 980, 981,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#    0 AMB  20-2:2183     0 AMB  20-1:2183   2.80    (#   2183:20  Double Ambig)
 &rst
  ixpk= 2183, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1520,1521,1520,1521,1520,1521,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  20-2:2184     0 AMB  20-1:2184   2.80    (#   2184:20  Double Ambig)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1870,1871,1870,1871,1870,1871,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  20-2:2185     0 AMB  20-1:2185   2.80    (#   2185:20  Double Ambig)
 &rst
  ixpk= 2185, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1884,1047,1048,1049, 630, 631,
 igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,1663,1664,1665,1667,1668,1669,
 &end
#
#   54 VAL  HB           54 VAL  MGY         2.80    (#   2186:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2186, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   56 ASP  HN           55 PRO  HA          4.50    (#   2187:20  Unique         2.67, 2.78 A)
 &rst
  ixpk= 2187, nxpk= 20, iat= 976, 972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HA           55 PRO  HA          6.00    (#   2189:20  Unique         1.73, 2.25 A)
 &rst
  ixpk= 2189, nxpk= 20, iat= 519, 972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 PRO  HB+          55 PRO  HA          6.00    (#   2190:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 969, 970,
 &end
#
#    0 AMB  20-2:2191    55 PRO  HA          8.00    (#   2191:20  Single Ambig)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2243,2244, 966, 967, 966, 967,
 &end
#
#  136 GLU  HB-          55 PRO  HA          6.00    (#   2192:20  Unique         3.67, 5.47 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=2240,2241,
 &end
#
#    0 AMB  20-2:2193    55 PRO  HA          6.00    (#   2193:20  Single Ambig)
 &rst
  ixpk= 2193, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 527, 528, 527, 528, 969, 970,
 &end
#
#    0 AMB  20-2:2195    55 PRO  HA          6.00    (#   2195:20  Single Ambig)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550, 931, 932,
 &end
#
#   30 LYS  HG-          55 PRO  HA          6.00    (#   2196:20  Unique         1.97, 3.22 A)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1, 972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 524, 525,
 &end
#
#   55 PRO  HA           55 PRO  HB+         6.00    (#   2199:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 2199, nxpk= 20, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 969, 970,
 &end
#
#   55 PRO  HD+          55 PRO  HB+         6.00    (#   2200:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2200, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 969, 970,
 &end
#
#   55 PRO  HD-          55 PRO  HB+         6.00    (#   2201:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 969, 970,
 &end
#
#   55 PRO  HD-          55 PRO  HB-         6.00    (#   2202:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 969, 970,
 &end
#
#   55 PRO  HD+          55 PRO  HB-         6.00    (#   2203:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 969, 970,
 &end
#
#   55 PRO  HA           55 PRO  HB-         6.00    (#   2204:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 2204, nxpk= 20, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:2206    55 PRO  HB-         3.50    (#   2206:20  Single Ambig)
 &rst
  ixpk= 2206, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2243,2244, 966, 967, 966, 967,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:2210     0 AMB  20-1:2210   6.00    (#   2210:20  Double Ambig)
 &rst
  ixpk= 2210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 948, 990,
 igr2= 966, 967, 966, 967,1602,1603, 966, 967,
 &end
#
#    0 AMB  20-2:2211     0 AMB  20-1:2211   2.80    (#   2211:20  Double Ambig)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1599,1600, 963, 964,
 igr2=1602,1603, 966, 967,
 &end
#
#    0 AMB  20-2:2212     0 AMB  20-1:2212   3.50    (#   2212:20  Double Ambig)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1599,1600, 963, 964,
 igr2=1602,1603, 966, 967,
 &end
#
#   94 PRO  HD-          94 PRO  HG+         4.50    (#   2213:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1599,1600,
 igr2=1602,1603,
 &end
#
#   94 PRO  HD-          94 PRO  HG-         3.50    (#   2214:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1599,1600,
 igr2=1602,1603,
 &end
#
#   55 PRO  HD-          55 PRO  HG+         6.00    (#   2215:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 963, 964,
 igr2= 966, 967,
 &end
#
#   55 PRO  HB+          55 PRO  HG+         4.50    (#   2216:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 2216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 969, 970,
 igr2= 966, 967,
 &end
#
#   94 PRO  HB+          94 PRO  HG-         3.50    (#   2217:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1605,1606,
 igr2=1602,1603,
 &end
#
#  136 GLU  HB-          55 PRO  HG+         2.80    (#   2218:20  Unique         2.01, 3.40 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=2240,2241,
 igr2= 966, 967,
 &end
#
#    0 AMB  20-2:2219     0 AMB  20-1:2219   3.50    (#   2219:20  Double Ambig)
 &rst
  ixpk= 2219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 969, 970, 527, 528,
 igr2= 966, 967, 966, 967,
 &end
#
#   93 THR  MG2          94 PRO  HG+         6.00    (#   2220:20  Unique         3.12, 5.32 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1590,1591,1592,
 igr2=1602,1603,
 &end
#
#   93 THR  MG2          94 PRO  HG-         6.00    (#   2221:20  Unique         3.12, 5.32 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1590,1591,1592,
 igr2=1602,1603,
 &end
#
#   30 LYS  HG-           0 AMB  20-1:2222   8.00    (#   2222:20  Single Ambig)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 524, 525,
 igr2= 966, 967, 966, 967,
 &end
#
#   54 VAL  MGX          55 PRO  HG+         6.00    (#   2223:20  Unique         3.00, 5.11 A)
 &rst
  ixpk= 2223, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 952, 953, 954, 956, 957, 958,
 igr2= 966, 967,
 &end
#
#   95 ILE  QG2           0 AMB  20-1:2225   6.00    (#   2225:20  Single Ambig)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1618,1619,1620,
 igr2=1602,1603, 966, 967,
 &end
#
#   56 ASP  HN           55 PRO  HD+         8.00    (#   2226:20  Unique         3.87, 4.41 A)
 &rst
  ixpk= 2226, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 963, 964,
 &end
#
#   93 THR  HN           94 PRO  HD+         8.00    (#   2227:20  Unique         4.58, 4.85 A)
 &rst
  ixpk= 2227, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1599,1600,
 &end
#
#   54 VAL  HA           55 PRO  HD+         3.50    (#   2228:20  Unique         2.07, 2.24 A)
 &rst
  ixpk= 2228, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 963, 964,
 &end
#
#   93 THR  HA           94 PRO  HD+         2.80    (#   2229:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1599,1600,
 &end
#
#   54 VAL  HA           55 PRO  HD-         4.50    (#   2230:20  Unique         2.07, 2.24 A)
 &rst
  ixpk= 2230, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 963, 964,
 &end
#
#   55 PRO  HB+          55 PRO  HD+         6.00    (#   2234:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 969, 970,
 igr2= 963, 964,
 &end
#
#   94 PRO  HB+          94 PRO  HD+         6.00    (#   2235:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1605,1606,
 igr2=1599,1600,
 &end
#
#  136 GLU  HB+          55 PRO  HD+         8.00    (#   2237:20  Unique         2.83, 4.66 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2240,2241,
 igr2= 963, 964,
 &end
#
#  136 GLU  HB-          55 PRO  HD+         6.00    (#   2238:20  Unique         2.83, 4.66 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2240,2241,
 igr2= 963, 964,
 &end
#
#  132 LEU  HB-          55 PRO  HD+         6.00    (#   2239:20  Unique         6.21, 7.48 A)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2176,2177,
 igr2= 963, 964,
 &end
#
#   55 PRO  HB+          55 PRO  HD-         8.00    (#   2240:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2240, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 969, 970,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:2241    55 PRO  HD-         4.50    (#   2241:20  Single Ambig)
 &rst
  ixpk= 2241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 966, 967,2243,2244,
 igr2= 963, 964,
 &end
#
#  136 GLU  HB-          55 PRO  HD-         6.00    (#   2242:20  Unique         2.83, 4.66 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=2240,2241,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:2243    55 PRO  HD-         6.00    (#   2243:20  Single Ambig)
 &rst
  ixpk= 2243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 527, 528, 527, 528, 969, 970,
 igr2= 963, 964,
 &end
#
#   54 VAL  MGX          55 PRO  HD+         6.00    (#   2244:20  Unique         1.91, 3.75 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 952, 953, 954, 956, 957, 958,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:2245     0 AMB  20-1:2245   6.00    (#   2245:20  Double Ambig)
 &rst
  ixpk= 2245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2= 963, 964, 963, 964,
 &end
#
#   54 VAL  MGX          55 PRO  HD-         6.00    (#   2247:20  Unique         1.91, 3.75 A)
 &rst
  ixpk= 2247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 952, 953, 954, 956, 957, 958,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:2248    55 PRO  HD-         4.50    (#   2248:20  Single Ambig)
 &rst
  ixpk= 2248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2= 963, 964,
 &end
#
#   58 VAL  MGX          55 PRO  HD-         4.50    (#   2249:20  Unique         3.07, 4.98 A)
 &rst
  ixpk= 2249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1013,1014,1016,1017,1018,
 igr2= 963, 964,
 &end
#
#   56 ASP  HN           56 ASP  HA          6.00    (#   2250:20  Unique         2.32, 2.35 A)
 &rst
  ixpk= 2250, nxpk= 20, iat= 976, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 SER  HN           56 ASP  HA          6.00    (#   2251:20  Unique         4.40, 4.78 A)
 &rst
  ixpk= 2251, nxpk= 20, iat=1631, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 ASP  HB+          56 ASP  HA          3.50    (#   2252:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#   56 ASP  HB-          56 ASP  HA          3.50    (#   2253:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2253, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 980, 981,
 &end
#
#   31 ILE  HB           56 ASP  HA          6.00    (#   2254:20  Unique         2.78, 3.51 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 543, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ILE  HG1-         56 ASP  HA          4.50    (#   2255:20  Unique         2.00, 2.75 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 549, 550,
 &end
#
#   95 ILE  QG2          56 ASP  HA          2.80    (#   2256:20  Unique         2.68, 3.45 A)
 &rst
  ixpk= 2256, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1618,1619,1620,
 &end
#
#   31 ILE  QD1          56 ASP  HA          6.00    (#   2257:20  Unique         1.82, 3.93 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 552, 553, 554,
 &end
#
#   56 ASP  HN           56 ASP  HB+         6.00    (#   2258:20  Unique         2.66, 3.16 A)
 &rst
  ixpk= 2258, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 980, 981,
 &end
#
#   56 ASP  HN           56 ASP  HB-         6.00    (#   2259:20  Unique         2.66, 3.16 A)
 &rst
  ixpk= 2259, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 980, 981,
 &end
#
#   96 SER  HN           56 ASP  HB+         8.00    (#   2260:20  Unique         5.70, 6.90 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 980, 981,
 &end
#
#   96 SER  HN           56 ASP  HB-         8.00    (#   2261:20  Unique         5.70, 6.90 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 980, 981,
 &end
#
#    0 AMB  20-2:2262     0 AMB  20-1:2262   4.50    (#   2262:20  Double Ambig)
 &rst
  ixpk= 2262, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1635,1636,1635,1636,1633,
 igr2= 980, 981, 980, 981, 980, 981,
 &end
#
#   56 ASP  HA           56 ASP  HB+         3.50    (#   2263:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2263, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 980, 981,
 &end
#
#   56 ASP  HA           56 ASP  HB-         3.50    (#   2264:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2264, nxpk= 20, iat= 978,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 980, 981,
 &end
#
#   31 ILE  HG1-         56 ASP  HB+         8.00    (#   2267:20  Unique         1.96, 3.53 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 549, 550,
 igr2= 980, 981,
 &end
#
#   31 ILE  HG1-         56 ASP  HB-         6.00    (#   2268:20  Unique         1.96, 3.53 A)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550,
 igr2= 980, 981,
 &end
#
#   30 LYS  HB-          56 ASP  HB-         8.00    (#   2269:20  Unique         4.56, 5.60 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 521, 522,
 igr2= 980, 981,
 &end
#
#    0 AMB  20-2:2270     0 AMB  20-1:2270   8.00    (#   2270:20  Double Ambig)
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1= 521, 522, 856, 857, 856, 857,
 igr2= 980, 981, 841, 842,
 &end
#
#    0 AMB  20-2:2271    48 ASP  HB-         6.00    (#   2271:20  Single Ambig)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2= 841, 842,
 &end
#
#   95 ILE  QG2          56 ASP  HB-         6.00    (#   2272:20  Unique         4.69, 5.97 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1618,1619,1620,
 igr2= 980, 981,
 &end
#
#   31 ILE  QD1          56 ASP  HB-         6.00    (#   2273:20  Unique         2.46, 4.55 A)
 &rst
  ixpk= 2273, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 552, 553, 554,
 igr2= 980, 981,
 &end
#
#   31 ILE  QD1          56 ASP  HB+         6.00    (#   2274:20  Unique         2.46, 4.55 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 552, 553, 554,
 igr2= 980, 981,
 &end
#
#   78 ALA  HN           77 GLN  HA          2.80    (#   2275:20  Unique         2.20, 2.27 A)
 &rst
  ixpk= 2275, nxpk= 20, iat=1359,1344, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   77 GLN  HE2+         77 GLN  HA          6.00    (#   2276:20  Unique         1.94, 4.31 A)
 &rst
  ixpk= 2276, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1354,1355,
 &end
#
#   77 GLN  HE2-         77 GLN  HA          6.00    (#   2277:20  Unique         1.94, 4.31 A)
 &rst
  ixpk= 2277, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1354,1355,
 &end
#
#   76 ASN  HA           77 GLN  HA          6.00    (#   2278:20  Unique         4.58, 4.76 A)
 &rst
  ixpk= 2278, nxpk= 20, iat=1330,1344, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 GLN  HG+          77 GLN  HA          3.50    (#   2280:20  Unique         2.69, 3.50 A)
 &rst
  ixpk= 2280, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1349,1350,
 &end
#
#   77 GLN  HB+          77 GLN  HA          3.50    (#   2281:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 2281, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1346,1347,
 &end
#
#   77 GLN  HB-          77 GLN  HA          3.50    (#   2282:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1346,1347,
 &end
#
#   78 ALA  MB           77 GLN  HA          4.50    (#   2285:20  Unique         4.40, 4.91 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1363,1364,1365,
 &end
#
#   73 LEU  MDX          77 GLN  HA          8.00    (#   2287:20  Unique         4.82, 7.39 A)
 &rst
  ixpk= 2287, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   74 ASN  HN           77 GLN  HB-         6.00    (#   2288:20  Unique         2.18, 3.91 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1346,1347,
 &end
#
#    0 AMB  20-2:2289     0 AMB  20-1:2289   6.00    (#   2289:20  Double Ambig)
 &rst
  ixpk= 2289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1359, 117,
 igr2=1346,1347, 143, 144,
 &end
#
#   78 ALA  HN           77 GLN  HB+         6.00    (#   2290:20  Unique         2.67, 3.84 A)
 &rst
  ixpk= 2290, nxpk= 20, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1346,1347,
 &end
#
#   77 GLN  HE2+         77 GLN  HB+         6.00    (#   2291:20  Unique         2.03, 3.94 A)
 &rst
  ixpk= 2291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1354,1355,
 igr2=1346,1347,
 &end
#
#    6 THR  HN            9 GLN  HB-         6.00    (#   2292:20  Unique         2.55, 4.03 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:2293     0 AMB  20-1:2293   3.50    (#   2293:20  Double Ambig)
 &rst
  ixpk= 2293, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1342,1337,1338,
 igr2=1346,1347,1346,1347,
 &end
#
#    0 AMB  20-2:2294     0 AMB  20-1:2294   3.50    (#   2294:20  Double Ambig)
 &rst
  ixpk= 2294, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 151, 152,1342,
 igr2= 143, 144,1346,1347,
 &end
#
#   26 GLN  HE2-         26 GLN  HB+         8.00    (#   2295:20  Unique         1.95, 4.21 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 466, 467,
 igr2= 458, 459,
 &end
#
#    0 AMB  20-2:2296     0 AMB  20-1:2296   2.80    (#   2296:20  Double Ambig)
 &rst
  ixpk= 2296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1344,1644,1287,
 igr2=1346,1347,1646,1647,1346,1347,
 &end
#
#    0 AMB  20-2:2298     0 AMB  20-1:2298   4.50    (#   2298:20  Double Ambig)
 &rst
  ixpk= 2298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1289,1290, 778, 779, 780, 782, 783, 784,
 igr2=1346,1347, 756, 757,
 &end
#
#   73 LEU  HB-          77 GLN  HB-         4.50    (#   2299:20  Unique         1.99, 4.66 A)
 &rst
  ixpk= 2299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1289,1290,
 igr2=1346,1347,
 &end
#
#   73 LEU  MDY          77 GLN  HB+         6.00    (#   2300:20  Unique         2.86, 5.94 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1346,1347,
 &end
#
#   73 LEU  MDX          77 GLN  HB+         6.00    (#   2301:20  Unique         2.86, 5.94 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1346,1347,
 &end
#
#   73 LEU  MDX          77 GLN  HB-         6.00    (#   2302:20  Unique         2.86, 5.94 A)
 &rst
  ixpk= 2302, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1346,1347,
 &end
#
#   73 LEU  MDY          77 GLN  HB-         6.00    (#   2303:20  Unique         2.86, 5.94 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1346,1347,
 &end
#
#   92 SER  HN           91 VAL  HA          4.50    (#   2304:20  Unique         2.20, 2.30 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=1573,1559, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   91 VAL  HN           91 VAL  HA          6.00    (#   2305:20  Unique         2.83, 2.92 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=1557,1559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 THR  HN           91 VAL  HA          6.00    (#   2306:20  Unique         3.90, 4.41 A)
 &rst
  ixpk= 2306, nxpk= 20, iat=1584,1559, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 MET  HG+          91 VAL  HA          6.00    (#   2307:20  Unique         6.09, 6.79 A)
 &rst
  ixpk= 2307, nxpk= 20, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1043,1044,
 &end
#
#   91 VAL  HB           91 VAL  HA          3.50    (#   2308:20  Unique         2.41, 2.50 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=1561,1559, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 MET  HB-          91 VAL  HA          6.00    (#   2309:20  Unique         5.57, 6.42 A)
 &rst
  ixpk= 2309, nxpk= 20, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#    0 AMB  20-2:2310    91 VAL  HA          2.80    (#   2310:20  Single Ambig)
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,1559, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#    0 AMB  20-2:2311     0 AMB  20-1:2311   6.00    (#   2311:20  Double Ambig)
 &rst
  ixpk= 2311, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=  35,1546,1053,
 igr2=  28,  29,1561,
 &end
#
#   91 VAL  HN           91 VAL  HB          6.00    (#   2312:20  Unique         2.84, 3.25 A)
 &rst
  ixpk= 2312, nxpk= 20, iat=1557,1561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 THR  HN           91 VAL  HB          8.00    (#   2313:20  Unique         4.22, 4.73 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=1584,1561, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   88 MET  HA           91 VAL  HB          6.00    (#   2314:20  Unique         2.91, 3.68 A)
 &rst
  ixpk= 2314, nxpk= 20, iat=1515,1561, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  123 GLU  HA            2 PRO  HB+         8.00    (#   2315:20  Unique         5.31, 6.80 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=2049,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  28,  29,
 &end
#
#   91 VAL  HA           91 VAL  HB          4.50    (#   2316:20  Unique         2.41, 2.50 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=1559,1561, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2318     0 AMB  20-1:2318   4.50    (#   2318:20  Double Ambig)
 &rst
  ixpk= 2318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=  39,  40,1057,1058,1057,1058,
 igr2=  28,  29,1561,
 &end
#
#    0 AMB  20-2:2319    91 VAL  HB          2.80    (#   2319:20  Single Ambig)
 &rst
  ixpk= 2319, nxpk= 20, iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#   92 SER  HN           91 VAL  MGY         6.00    (#   2320:20  Unique         1.72, 3.56 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:2321     0 AMB  20-1:2321   4.50    (#   2321:20  Double Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1053, 626,
 igr2=1563,1564,1565,1567,1568,1569,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2322     0 AMB  20-1:2322   3.50    (#   2322:20  Double Ambig)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1584,1657,
 igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,
 &end
#
#  112 VAL  HA            0 AMB  20-1:2324   4.50    (#   2324:20  Single Ambig)
 &rst
  ixpk= 2324, nxpk= 20, iat=1882,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2325     0 AMB  20-1:2325   6.00    (#   2325:20  Double Ambig)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1430, 628,
 igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2326     0 AMB  20-1:2326   2.80    (#   2326:20  Double Ambig)
 &rst
  ixpk= 2326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1559, 667,
 igr2=1563,1564,1565,1567,1568,1569,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2328     0 AMB  20-1:2328   4.50    (#   2328:20  Double Ambig)
 &rst
  ixpk= 2328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 669, 670, 669, 670,
 igr2=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2329     0 AMB  20-1:2329   3.50    (#   2329:20  Double Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1=1043,1044,1043,1044, 643,
 igr2=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,1886,1887,1888,1890,1891,1892,
 &end
#
#    0 AMB  20-2:2330    91 VAL  MGY         6.00    (#   2330:20  Single Ambig)
 &rst
  ixpk= 2330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1520,1521,1520,1521,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:2331     0 AMB  20-1:2331   3.50    (#   2331:20  Double Ambig)
 &rst
  ixpk= 2331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.49, r4= 7.99,
 igr1=1870,1871,1870,1871,1870,1871,1900,1901,
 igr2=1663,1664,1665,1667,1668,1669,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   95 ILE  HN           59 ASN  HA          6.00    (#   2332:20  Unique         2.25, 2.67 A)
 &rst
  ixpk= 2332, nxpk= 20, iat=1612,1024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASN  HN           59 ASN  HA          6.00    (#   2333:20  Unique         2.88, 2.94 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=1022,1024, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 MET  HN           59 ASN  HA          4.50    (#   2335:20  Unique         2.40, 2.55 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=1036,1024, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   94 PRO  HA           59 ASN  HA          2.80    (#   2337:20  Unique         2.00, 2.46 A)
 &rst
  ixpk= 2337, nxpk= 20, iat=1608,1024, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ASN  HB+          59 ASN  HA          4.50    (#   2338:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 2338, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1026,1027,
 &end
#
#   59 ASN  HB-          59 ASN  HA          4.50    (#   2339:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 2339, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1026,1027,
 &end
#
#    0 AMB  20-2:2340    59 ASN  HA          6.00    (#   2340:20  Single Ambig)
 &rst
  ixpk= 2340, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1605,1606,1071,1072,
 &end
#
#    0 AMB  20-2:2341    59 ASN  HA          4.50    (#   2341:20  Single Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,1024, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1605,1606,1083,1084,1602,1603,
 &end
#
#   59 ASN  HN           59 ASN  HB-         6.00    (#   2343:20  Unique         2.53, 3.25 A)
 &rst
  ixpk= 2343, nxpk= 20, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1026,1027,
 &end
#
#   61 SER  HN           59 ASN  HB-         6.00    (#   2345:20  Unique         2.82, 3.77 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1026,1027,
 &end
#
#   59 ASN  HD2-         59 ASN  HB-         6.00    (#   2348:20  Unique         2.15, 3.30 A)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1031,1032,
 igr2=1026,1027,
 &end
#
#   59 ASN  HA           59 ASN  HB-         4.50    (#   2349:20  Unique         2.29, 2.50 A)
 &rst
  ixpk= 2349, nxpk= 20, iat=1024,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#   94 PRO  HA           59 ASN  HB-         4.50    (#   2352:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 2352, nxpk= 20, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1026,1027,
 &end
#
#   94 PRO  HA           59 ASN  HB+         6.00    (#   2353:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 2353, nxpk= 20, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1026,1027,
 &end
#
#    0 AMB  20-2:2355     0 AMB  20-1:2355   6.00    (#   2355:20  Double Ambig)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1761,1762, 296,1057,1058,1057,1058,
 igr2=1788,1789,1026,1027,
 &end
#
#    0 AMB  20-2:2358     0 AMB  20-1:2358   6.00    (#   2358:20  Double Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1040,1041,1071,1072,
 igr2=1026,1027,1026,1027,
 &end
#
#    0 AMB  20-2:2361    60 MET  HA          6.00    (#   2361:20  Single Ambig)
 &rst
  ixpk= 2361, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1036,1064,
 &end
#
#   60 MET  HB+          60 MET  HA          6.00    (#   2363:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#    0 AMB  20-2:2364    60 MET  HA          3.50    (#   2364:20  Single Ambig)
 &rst
  ixpk= 2364, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1083,1084,1040,1041,
 &end
#
#   60 MET  ME           60 MET  HA          6.00    (#   2365:20  Unique         1.74, 3.14 A)
 &rst
  ixpk= 2365, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1047,1048,1049,
 &end
#
#   63 LEU  MDX          60 MET  HA          6.00    (#   2366:20  Unique         1.93, 3.66 A)
 &rst
  ixpk= 2366, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1088,1089,1090,1092,1093,1094,
 &end
#
#    6 THR  HN            9 GLN  HB+         4.50    (#   2367:20  Unique         2.55, 4.03 A)
 &rst
  ixpk= 2367, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 143, 144,
 &end
#
#   61 SER  HN           60 MET  HB+         6.00    (#   2368:20  Unique         1.96, 2.87 A)
 &rst
  ixpk= 2368, nxpk= 20, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1040,1041,
 &end
#
#   60 MET  HN           60 MET  HB+         4.50    (#   2369:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#    9 GLN  HN            9 GLN  HB+         6.00    (#   2370:20  Unique         2.20, 2.70 A)
 &rst
  ixpk= 2370, nxpk= 20, iat= 139,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 143, 144,
 &end
#
#    0 AMB  20-2:2371     0 AMB  20-1:2371   6.00    (#   2371:20  Double Ambig)
 &rst
  ixpk= 2371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1057,1058,1057,1058,  39,  40,
 igr2=1040,1041,1040,1041, 143, 144,
 &end
#
#    0 AMB  20-2:2372     0 AMB  20-1:2372   3.50    (#   2372:20  Double Ambig)
 &rst
  ixpk= 2372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1043,1044,1043,1044,
 igr2=1040,1041,1040,1041,
 &end
#
#    0 AMB  20-2:2374     0 AMB  20-1:2374   3.50    (#   2374:20  Double Ambig)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 igr2=1040,1041,1040,1041,
 &end
#
#    0 AMB  20-2:2375     0 AMB  20-1:2375   8.00    (#   2375:20  Double Ambig)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1053,1546,1098,
 igr2=1043,1044,1043,1044,1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:2376     0 AMB  20-1:2376   6.00    (#   2376:20  Double Ambig)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1053,1546,1098,
 igr2=1043,1044,1043,1044,1043,1044,1043,1044,
 &end
#
#   60 MET  HN            0 AMB  20-1:2377   4.50    (#   2377:20  Single Ambig)
 &rst
  ixpk= 2377, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1043,1044,1043,1044,
 &end
#
#   60 MET  HA            0 AMB  20-1:2378   6.00    (#   2378:20  Single Ambig)
 &rst
  ixpk= 2378, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1043,1044,1043,1044,
 &end
#
#   60 MET  HA           60 MET  HG-         6.00    (#   2379:20  Unique         2.23, 3.27 A)
 &rst
  ixpk= 2379, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1043,1044,
 &end
#
#   91 VAL  HA            0 AMB  20-1:2380   8.00    (#   2380:20  Single Ambig)
 &rst
  ixpk= 2380, nxpk= 20, iat=1559,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1043,1044,1043,1044,
 &end
#
#   91 VAL  HA            0 AMB  20-1:2381   6.00    (#   2381:20  Single Ambig)
 &rst
  ixpk= 2381, nxpk= 20, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1043,1044,1043,1044,
 &end
#
#   95 ILE  HA            0 AMB  20-1:2382   8.00    (#   2382:20  Single Ambig)
 &rst
  ixpk= 2382, nxpk= 20, iat=1614,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:2383     0 AMB  20-1:2383   6.00    (#   2383:20  Double Ambig)
 &rst
  ixpk= 2383, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1588,1659,
 igr2=1043,1044,1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:2384    60 MET  HG-         6.00    (#   2384:20  Single Ambig)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1588,1659,
 igr2=1043,1044,
 &end
#
#   60 MET  HB+          60 MET  HG-         3.50    (#   2385:20  Unique         2.21, 2.58 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1040,1041,
 igr2=1043,1044,
 &end
#
#   88 MET  HB-          60 MET  HG+         2.80    (#   2386:20  Unique         1.99, 4.02 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1517,1518,
 igr2=1043,1044,
 &end
#
#   93 THR  MG2           0 AMB  20-1:2387   6.00    (#   2387:20  Single Ambig)
 &rst
  ixpk= 2387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1590,1591,1592,
 igr2=1043,1044,1043,1044,
 &end
#
#   93 THR  MG2           0 AMB  20-1:2388   6.00    (#   2388:20  Single Ambig)
 &rst
  ixpk= 2388, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1590,1591,1592,
 igr2=1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:2389     0 AMB  20-1:2389   8.00    (#   2389:20  Double Ambig)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1622,1623,1622,1623,1083,1084,
 igr2=1043,1044,1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:2390     0 AMB  20-1:2390   3.50    (#   2390:20  Double Ambig)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.01, r4= 8.51,
 igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,1663,1664,1665,1667,1668,1669,
 igr2=1043,1044,1043,1044,1043,1044,1043,1044,
 &end
#
#   63 LEU  MDX          60 MET  HG-         8.00    (#   2391:20  Unique         3.41, 6.14 A)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2=1043,1044,
 &end
#
#   61 SER  HN            0 AMB  20-1:2392   3.50    (#   2392:20  Single Ambig)
 &rst
  ixpk= 2392, nxpk= 20, iat=1053,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1057,1058,1057,1058,
 &end
#
#   92 SER  HN            0 AMB  20-1:2393   6.00    (#   2393:20  Single Ambig)
 &rst
  ixpk= 2393, nxpk= 20, iat=1573,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:2394     0 AMB  20-1:2394   4.50    (#   2394:20  Double Ambig)
 &rst
  ixpk= 2394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1557,1064,
 igr2=1057,1058,1057,1058,1057,1058,
 &end
#
#   90 SER  HA            0 AMB  20-1:2396   6.00    (#   2396:20  Single Ambig)
 &rst
  ixpk= 2396, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1057,1058,1057,1058,
 &end
#
#   91 VAL  HA            0 AMB  20-1:2397   6.00    (#   2397:20  Single Ambig)
 &rst
  ixpk= 2397, nxpk= 20, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1057,1058,1057,1058,
 &end
#
#   61 SER  HA            0 AMB  20-1:2398   2.80    (#   2398:20  Single Ambig)
 &rst
  ixpk= 2398, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:2401     0 AMB  20-1:2401   8.00    (#   2401:20  Double Ambig)
 &rst
  ixpk= 2401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1071,1072,1071,1072,
 igr2=1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:2402     0 AMB  20-1:2402   4.50    (#   2402:20  Double Ambig)
 &rst
  ixpk= 2402, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.80, r4= 9.30,
 igr1=1040,1041,1040,1041,1561,1071,1072,
 igr2=1057,1058,1057,1058,1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:2403    58 VAL  HA          6.00    (#   2403:20  Single Ambig)
 &rst
  ixpk= 2403, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 966, 967,1605,1606,1083,1084,
 &end
#
#    0 AMB  20-2:2404     0 AMB  20-1:2404   6.00    (#   2404:20  Double Ambig)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1102,1517,1518,1047,1048,1049,
 igr2=1057,1058,1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:2405     0 AMB  20-1:2405   8.00    (#   2405:20  Double Ambig)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1124,1125,1124,1125,
 igr2=1057,1058,1057,1058,
 &end
#
#   91 VAL  MGX           0 AMB  20-1:2406   4.50    (#   2406:20  Single Ambig)
 &rst
  ixpk= 2406, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1563,1564,1565,1567,1568,1569,
 igr2=1057,1058,1057,1058,
 &end
#
#   54 VAL  MGY          58 VAL  HA          4.50    (#   2407:20  Unique         4.25, 5.37 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 952, 953, 954, 956, 957, 958,
 &end
#
#   64 ILE  HN           62 GLU  HA          6.00    (#   2409:20  Unique         3.95, 4.51 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=1098,1066, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2410    62 GLU  HA          4.50    (#   2410:20  Single Ambig)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1064,1139,
 &end
#
#   65 LYS  HN           62 GLU  HA          6.00    (#   2412:20  Unique         3.36, 3.66 A)
 &rst
  ixpk= 2412, nxpk= 20, iat=1117,1066, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2413    62 GLU  HA          6.00    (#   2413:20  Single Ambig)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1130,1131,1130,1131,
 &end
#
#   62 GLU  HG-          62 GLU  HA          3.50    (#   2414:20  Unique         2.04, 3.08 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1071,1072,
 &end
#
#    0 AMB  20-2:2415    62 GLU  HA          2.80    (#   2415:20  Single Ambig)
 &rst
  ixpk= 2415, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1121,1122,1068,1069,
 &end
#
#    0 AMB  20-2:2416    62 GLU  HA          3.50    (#   2416:20  Single Ambig)
 &rst
  ixpk= 2416, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1127,1128,1127,1128,
 &end
#
#    0 AMB  20-2:2419    62 GLU  HA          6.00    (#   2419:20  Single Ambig)
 &rst
  ixpk= 2419, nxpk= 20, iat=  -1,1066, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,2212,
      2213,2214,2216,2217,2218,
 &end
#
#   59 ASN  HN           62 GLU  HB+         6.00    (#   2420:20  Unique         2.35, 2.94 A)
 &rst
  ixpk= 2420, nxpk= 20, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1068,1069,
 &end
#
#   59 ASN  HN           62 GLU  HB-         6.00    (#   2421:20  Unique         2.35, 2.94 A)
 &rst
  ixpk= 2421, nxpk= 20, iat=1022,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1068,1069,
 &end
#
#   62 GLU  HA           62 GLU  HB-         2.80    (#   2424:20  Unique         2.34, 2.75 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1068,1069,
 &end
#
#   59 ASN  HB+          62 GLU  HB+         6.00    (#   2425:20  Unique         2.94, 4.96 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1026,1027,
 igr2=1068,1069,
 &end
#
#   58 VAL  MGY          62 GLU  HB-         2.80    (#   2428:20  Unique         1.80, 3.82 A)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1012,1013,1014,1016,1017,1018,
 igr2=1068,1069,
 &end
#
#    0 AMB  20-2:2430     0 AMB  20-1:2430   8.00    (#   2430:20  Double Ambig)
 &rst
  ixpk= 2430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1064,1036,1139,
 igr2=1083,1084,1083,1084,1083,1084,
 &end
#
#    0 AMB  20-2:2431    63 LEU  HB-         6.00    (#   2431:20  Single Ambig)
 &rst
  ixpk= 2431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1064,1036,
 igr2=1083,1084,
 &end
#
#   60 MET  HA           63 LEU  HB+         6.00    (#   2432:20  Unique         2.08, 4.43 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1083,1084,
 &end
#
#   63 LEU  HA           63 LEU  HB+         6.00    (#   2433:20  Unique         2.29, 2.51 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1083,1084,
 &end
#
#   60 MET  HA           63 LEU  HB-         6.00    (#   2434:20  Unique         2.08, 4.43 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1083,1084,
 &end
#
#   60 MET  ME           63 LEU  HB-         6.00    (#   2435:20  Unique         2.33, 5.80 A)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1047,1048,1049,
 igr2=1083,1084,
 &end
#
#    0 AMB  20-2:2436     0 AMB  20-1:2436   6.00    (#   2436:20  Double Ambig)
 &rst
  ixpk= 2436, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1047,1048,1049,1108,1109,
 igr2=1083,1084,1083,1084,
 &end
#
#   63 LEU  HG           63 LEU  HB-         3.50    (#   2437:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 2437, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1083,1084,
 &end
#
#    0 AMB  20-2:2438    63 LEU  HB-         6.00    (#   2438:20  Single Ambig)
 &rst
  ixpk= 2438, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2181,2182,2183,2185,2186,2187,1111,1112,1113,
 igr2=1083,1084,
 &end
#
#    0 AMB  20-2:2439     0 AMB  20-1:2439   6.00    (#   2439:20  Double Ambig)
 &rst
  ixpk= 2439, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,1111,1112,1113,
 igr2=1083,1084,1083,1084,1083,1084,
 &end
#
#   64 ILE  HN           63 LEU  HG          6.00    (#   2441:20  Unique         1.95, 2.73 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=1098,1086, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2442    71 LEU  HG          6.00    (#   2442:20  Single Ambig)
 &rst
  ixpk= 2442, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1251,1227,
 &end
#
#   63 LEU  HA           63 LEU  HG          6.00    (#   2443:20  Unique         2.39, 3.40 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=1081,1086, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 LEU  HB+          63 LEU  HG          4.50    (#   2444:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1083,1084,
 &end
#
#   63 LEU  HB-          63 LEU  HG          2.80    (#   2445:20  Unique         2.30, 2.78 A)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1083,1084,
 &end
#
#    0 AMB  20-2:2446    63 LEU  HG          2.80    (#   2446:20  Single Ambig)
 &rst
  ixpk= 2446, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
      1093,1094,
 &end
#
#    0 AMB  20-2:2447    63 LEU  HG          6.00    (#   2447:20  Single Ambig)
 &rst
  ixpk= 2447, nxpk= 20, iat=  -1,1086, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=2212,2213,2214,2216,2217,2218,1164,1165,1166,
 &end
#
#   64 ILE  HN           63 LEU  MDY         6.00    (#   2448:20  Unique         2.07, 4.24 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   66 ILE  HN           63 LEU  MDY         6.00    (#   2449:20  Unique         5.21, 7.56 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   63 LEU  HB+          63 LEU  MDY         4.50    (#   2450:20  Unique         2.32, 3.24 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1083,1084,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:2451    63 LEU  MDY         4.50    (#   2451:20  Single Ambig)
 &rst
  ixpk= 2451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1047,1048,1049,1108,1109, 950,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   63 LEU  HG           63 LEU  MDY         2.80    (#   2453:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2453, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:2454    63 LEU  MDY         2.80    (#   2454:20  Single Ambig)
 &rst
  ixpk= 2454, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1168,1169,1083,1084,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:2456    64 ILE  HA          4.50    (#   2456:20  Single Ambig)
 &rst
  ixpk= 2456, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1098,1177,1158,
 &end
#
#   65 LYS  HN           64 ILE  HA          8.00    (#   2457:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=1117,1100, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:2458    64 ILE  HA          8.00    (#   2458:20  Single Ambig)
 &rst
  ixpk= 2458, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 917, 921,1377,1385,
 &end
#
#   79 PHE  HE           64 ILE  HA          6.00    (#   2459:20  Unique         3.41, 5.08 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1379,1383,
 &end
#
#    0 AMB  20-2:2460    64 ILE  HA          3.50    (#   2460:20  Single Ambig)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1108,1109,1102,
 &end
#
#   67 ILE  HB           64 ILE  HA          6.00    (#   2461:20  Unique         2.38, 3.15 A)
 &rst
  ixpk= 2461, nxpk= 20, iat=1162,1100, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2462    64 ILE  HA          6.00    (#   2462:20  Single Ambig)
 &rst
  ixpk= 2462, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1086,1256,
 &end
#
#    0 AMB  20-2:2463    64 ILE  HA          6.00    (#   2463:20  Single Ambig)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1413,1414,1168,1169,1083,1084,
 &end
#
#    0 AMB  20-2:2464    64 ILE  HA          2.80    (#   2464:20  Single Ambig)
 &rst
  ixpk= 2464, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1104,1105,1106,1111,1112,1113,
 &end
#
#   63 LEU  MDY          64 ILE  HA          8.00    (#   2465:20  Unique         2.38, 5.26 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1088,1089,1090,1092,1093,1094,
 &end
#
#   67 ILE  QG2          64 ILE  HA          6.00    (#   2466:20  Unique         2.17, 3.84 A)
 &rst
  ixpk= 2466, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1164,1165,1166,
 &end
#
#   67 ILE  QD1          64 ILE  HA          8.00    (#   2467:20  Unique         4.74, 6.03 A)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2468     0 AMB  20-1:2468   2.80    (#   2468:20  Double Ambig)
 &rst
  ixpk= 2468, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1098,1158,
 igr2=1102,1143,
 &end
#
#   66 ILE  HN           66 ILE  HB          3.50    (#   2469:20  Unique         2.34, 2.65 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=1139,1143, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 LYS  HN           64 ILE  HB          6.00    (#   2470:20  Unique         2.31, 2.68 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=1117,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 SER  HA           64 ILE  HB          6.00    (#   2471:20  Unique         2.19, 2.60 A)
 &rst
  ixpk= 2471, nxpk= 20, iat=1055,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ILE  HA           66 ILE  HB          6.00    (#   2472:20  Unique         2.33, 2.41 A)
 &rst
  ixpk= 2472, nxpk= 20, iat=1141,1143, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ILE  HA           64 ILE  HB          6.00    (#   2473:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 2473, nxpk= 20, iat=1100,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2474     0 AMB  20-1:2474   4.50    (#   2474:20  Double Ambig)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1081,1066,
 igr2=1143,1102,
 &end
#
#    0 AMB  20-2:2475     0 AMB  20-1:2475   6.00    (#   2475:20  Double Ambig)
 &rst
  ixpk= 2475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1124,1125,1127,1128,1127,1128,2179,1124,1125,1162,
      
 igr2=1102,1143,
 &end
#
#   81 LEU  HG           64 ILE  HB          6.00    (#   2476:20  Unique         4.92, 6.21 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=1416,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2477     0 AMB  20-1:2477   6.00    (#   2477:20  Double Ambig)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1168,1169,1083,1084,
 igr2=1143,1102,
 &end
#
#    0 AMB  20-2:2478     0 AMB  20-1:2478   2.80    (#   2478:20  Double Ambig)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.88, r4= 5.38,
 igr1=1149,1150,1111,1112,1113,1104,1105,1106,2181,2182,
      2183,2185,2186,2187,
 igr2=1143,1102,
 &end
#
#    0 AMB  20-2:2479     0 AMB  20-1:2479   4.50    (#   2479:20  Double Ambig)
 &rst
  ixpk= 2479, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
 igr2=1143,1102,
 &end
#
#   67 ILE  QG2           0 AMB  20-1:2480   6.00    (#   2480:20  Single Ambig)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1164,1165,1166,
 igr2=1102,1143,
 &end
#
#   64 ILE  HN           64 ILE  HG1+        6.00    (#   2482:20  Unique         2.20, 3.20 A)
 &rst
  ixpk= 2482, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1108,1109,
 &end
#
#   64 ILE  HA           64 ILE  HG1+        6.00    (#   2484:20  Unique         2.06, 2.61 A)
 &rst
  ixpk= 2484, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1108,1109,
 &end
#
#   79 PHE  HE           64 ILE  HG1+        6.00    (#   2485:20  Unique         3.06, 5.94 A)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1379,1383,
 igr2=1108,1109,
 &end
#
#   64 ILE  QD1          64 ILE  HG1+        2.80    (#   2487:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1111,1112,1113,
 igr2=1108,1109,
 &end
#
#   81 LEU  HN           64 ILE  QD1         6.00    (#   2488:20  Unique         3.70, 5.16 A)
 &rst
  ixpk= 2488, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:2489    64 ILE  QD1         6.00    (#   2489:20  Single Ambig)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1064,1036,1557,
 igr2=1111,1112,1113,
 &end
#
#   79 PHE  HE           64 ILE  QD1         6.00    (#   2490:20  Unique         3.96, 7.40 A)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1379,1383,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:2491    64 ILE  QD1         8.00    (#   2491:20  Single Ambig)
 &rst
  ixpk= 2491, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1038,1504,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:2492    64 ILE  QD1         6.00    (#   2492:20  Single Ambig)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1506,1507,1506,1507,1057,1058,1057,1058,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:2493    64 ILE  QD1         6.00    (#   2493:20  Single Ambig)
 &rst
  ixpk= 2493, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1043,1044,1043,1044,
 igr2=1111,1112,1113,
 &end
#
#   81 LEU  HB+          64 ILE  QD1         4.50    (#   2495:20  Unique         2.31, 4.50 A)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1413,1414,
 igr2=1111,1112,1113,
 &end
#
#   66 ILE  HN           64 ILE  QG2         8.00    (#   2497:20  Unique         4.97, 6.33 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1104,1105,1106,
 &end
#
#   65 LYS  HN           64 ILE  QG2         6.00    (#   2498:20  Unique         2.75, 3.94 A)
 &rst
  ixpk= 2498, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1104,1105,1106,
 &end
#
#   60 MET  HA           64 ILE  QG2         8.00    (#   2500:20  Unique         6.24, 6.95 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1104,1105,1106,
 &end
#
#   65 LYS  HA           64 ILE  QG2         6.00    (#   2501:20  Unique         2.90, 4.14 A)
 &rst
  ixpk= 2501, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1104,1105,1106,
 &end
#
#    0 AMB  20-2:2502    64 ILE  QG2         6.00    (#   2502:20  Single Ambig)
 &rst
  ixpk= 2502, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1187,1188,1373,1374,
 igr2=1104,1105,1106,
 &end
#
#   63 LEU  HB+          64 ILE  QG2         6.00    (#   2504:20  Unique         5.89, 7.61 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1083,1084,
 igr2=1104,1105,1106,
 &end
#
#   65 LYS  HG+          64 ILE  QG2         4.50    (#   2505:20  Unique         2.94, 5.18 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1124,1125,
 igr2=1104,1105,1106,
 &end
#
#    0 AMB  20-2:2508    65 LYS  HA          6.00    (#   2508:20  Single Ambig)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1177,1158,
 &end
#
#   66 ILE  HN           65 LYS  HA          6.00    (#   2509:20  Unique         3.52, 3.57 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=1139,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ARG  HN           65 LYS  HA          6.00    (#   2510:20  Unique         3.75, 4.36 A)
 &rst
  ixpk= 2510, nxpk= 20, iat=1201,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ARG  HD+          65 LYS  HA          8.00    (#   2512:20  Unique         2.94, 5.45 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1187,1188,
 &end
#
#    0 AMB  20-2:2513    65 LYS  HA          8.00    (#   2513:20  Single Ambig)
 &rst
  ixpk= 2513, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1130,1131,1130,1131,
 &end
#
#   68 ARG  HD-          65 LYS  HA          6.00    (#   2514:20  Unique         2.94, 5.45 A)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1187,1188,
 &end
#
#   65 LYS  HG+          65 LYS  HA          3.50    (#   2515:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 2515, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1125,
 &end
#
#   65 LYS  HG-          65 LYS  HA          4.50    (#   2516:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1124,1125,
 &end
#
#    0 AMB  20-2:2517    65 LYS  HA          6.00    (#   2517:20  Single Ambig)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,1119, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1184,1185,1164,1165,1166,
 &end
#
#    0 AMB  20-2:2518     0 AMB  20-1:2518   6.00    (#   2518:20  Double Ambig)
 &rst
  ixpk= 2518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1139, 871,
 igr2=1121,1122,   8,   9,
 &end
#
#    0 AMB  20-2:2519     0 AMB  20-1:2519   4.50    (#   2519:20  Double Ambig)
 &rst
  ixpk= 2519, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1139, 871,
 igr2=1121,1122,  28,  29,
 &end
#
#    0 AMB  20-2:2520     0 AMB  20-1:2520   3.50    (#   2520:20  Double Ambig)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1117, 849,
 igr2=1121,1122,  28,  29,
 &end
#
#    0 AMB  20-2:2521     0 AMB  20-1:2521   3.50    (#   2521:20  Double Ambig)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1117, 849,
 igr2=1121,1122,  28,  29,
 &end
#
#   62 GLU  HA           65 LYS  HB-         4.50    (#   2522:20  Unique         2.32, 3.79 A)
 &rst
  ixpk= 2522, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1121,1122,
 &end
#
#    0 AMB  20-2:2523     0 AMB  20-1:2523   3.50    (#   2523:20  Double Ambig)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1119,  22,  23,
 igr2=1121,1122,  28,  29,
 &end
#
#    0 AMB  20-2:2524     0 AMB  20-1:2524   2.80    (#   2524:20  Double Ambig)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1127,1128,1127,1128,1124,1125,
 igr2=1121,1122,1121,1122,1121,1122,
 &end
#
#    0 AMB  20-2:2525    65 LYS  HB-         2.80    (#   2525:20  Single Ambig)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1127,1128,1127,1128,1124,1125,
 igr2=1121,1122,
 &end
#
#   65 LYS  HG-          65 LYS  HB-         4.50    (#   2526:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 2526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1124,1125,
 igr2=1121,1122,
 &end
#
#   66 ILE  HN           65 LYS  HG-         8.00    (#   2527:20  Unique         1.90, 4.48 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1124,1125,
 &end
#
#   65 LYS  HN           65 LYS  HG+         6.00    (#   2528:20  Unique         2.42, 3.43 A)
 &rst
  ixpk= 2528, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#   65 LYS  HN           65 LYS  HG-         6.00    (#   2529:20  Unique         2.42, 3.43 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#   62 GLU  HA           65 LYS  HG+         6.00    (#   2530:20  Unique         2.59, 4.78 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#   62 GLU  HA           65 LYS  HG-         8.00    (#   2531:20  Unique         2.59, 4.78 A)
 &rst
  ixpk= 2531, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1124,1125,
 &end
#
#   65 LYS  HA           65 LYS  HG+         6.00    (#   2532:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 2532, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#    0 AMB  20-2:2533     0 AMB  20-1:2533   6.00    (#   2533:20  Double Ambig)
 &rst
  ixpk= 2533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1130,1131,1130,1131,
 igr2=1124,1125,1124,1125,
 &end
#
#    0 AMB  20-2:2535    66 ILE  HA          6.00    (#   2535:20  Single Ambig)
 &rst
  ixpk= 2535, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1158,1177,
 &end
#
#   66 ILE  HN           66 ILE  HA          6.00    (#   2536:20  Unique         2.74, 2.79 A)
 &rst
  ixpk= 2536, nxpk= 20, iat=1139,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ARG  HN           66 ILE  HA          6.00    (#   2537:20  Unique         3.42, 3.68 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=1201,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ARG  HN           66 ILE  HA          6.00    (#   2538:20  Unique         3.91, 4.19 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=1225,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ILE  HA           66 ILE  HA          6.00    (#   2541:20  Unique         4.68, 4.75 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=1160,1141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2542    66 ILE  HA          6.00    (#   2542:20  Single Ambig)
 &rst
  ixpk= 2542, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1211,1212,1211,1212,1235,1236,
 &end
#
#   66 ILE  HG1-         66 ILE  HA          3.50    (#   2543:20  Unique         2.17, 2.99 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1149,1150,
 &end
#
#    0 AMB  20-2:2544    66 ILE  HA          6.00    (#   2544:20  Single Ambig)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1124,1125,1162,
 &end
#
#    0 AMB  20-2:2545    66 ILE  HA          6.00    (#   2545:20  Single Ambig)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1124,1125,1168,1169,
 &end
#
#   66 ILE  QG2          66 ILE  HA          3.50    (#   2546:20  Unique         2.50, 3.84 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1145,1146,1147,
 &end
#
#   66 ILE  QD1          66 ILE  HA          4.50    (#   2547:20  Unique         3.31, 4.27 A)
 &rst
  ixpk= 2547, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1152,1153,1154,
 &end
#
#   67 ILE  QG2          66 ILE  HA          8.00    (#   2548:20  Unique         5.78, 7.06 A)
 &rst
  ixpk= 2548, nxpk= 20, iat=  -1,1141, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1164,1165,1166,
 &end
#
#   67 ILE  HN           66 ILE  HG1-        6.00    (#   2549:20  Unique         1.77, 4.48 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1149,1150,
 &end
#
#   67 ILE  HN           66 ILE  HG1+        8.00    (#   2550:20  Unique         1.77, 4.48 A)
 &rst
  ixpk= 2550, nxpk= 20, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1149,1150,
 &end
#
#   66 ILE  HN           66 ILE  HG1+        6.00    (#   2551:20  Unique         2.07, 4.39 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1149,1150,
 &end
#
#   66 ILE  HN           66 ILE  HG1-        4.50    (#   2552:20  Unique         2.07, 4.39 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:2553     0 AMB  20-1:2553   6.00    (#   2553:20  Double Ambig)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 439,1117,
 igr2= 419, 420,1149,1150,
 &end
#
#   66 ILE  HA           66 ILE  HG1-        4.50    (#   2554:20  Unique         2.17, 2.99 A)
 &rst
  ixpk= 2554, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1149,1150,
 &end
#
#    0 AMB  20-2:2556     0 AMB  20-1:2556   4.50    (#   2556:20  Double Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1232,1233,2176,2177,
 igr2=1149,1150,1149,1150,
 &end
#
#    0 AMB  20-2:2557     0 AMB  20-1:2557   3.50    (#   2557:20  Double Ambig)
 &rst
  ixpk= 2557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2181,2182,2183,2185,2186,2187,1145,1146,1147,
 igr2=1149,1150,1149,1150,
 &end
#
#   66 ILE  QD1          66 ILE  HG1+        2.80    (#   2558:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1152,1153,1154,
 igr2=1149,1150,
 &end
#
#   67 ILE  HN           66 ILE  QD1         6.00    (#   2560:20  Unique         2.64, 3.97 A)
 &rst
  ixpk= 2560, nxpk= 20, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1152,1153,1154,
 &end
#
#   71 LEU  HG           66 ILE  QD1         6.00    (#   2567:20  Unique         4.27, 6.66 A)
 &rst
  ixpk= 2567, nxpk= 20, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1152,1153,1154,
 &end
#
#   67 ILE  HG1-         66 ILE  QD1         4.50    (#   2568:20  Unique         1.90, 4.97 A)
 &rst
  ixpk= 2568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,
 igr2=1152,1153,1154,
 &end
#
#    0 AMB  20-2:2570    66 ILE  QD1         2.80    (#   2570:20  Single Ambig)
 &rst
  ixpk= 2570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1168,1169,1149,1150,
 igr2=1152,1153,1154,
 &end
#
#   67 ILE  QG2          66 ILE  QD1         6.00    (#   2571:20  Unique         4.45, 6.52 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1164,1165,1166,
 igr2=1152,1153,1154,
 &end
#
#   63 LEU  HA           66 ILE  QG2         6.00    (#   2573:20  Unique         1.77, 2.56 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1145,1146,1147,
 &end
#
#   70 ARG  HN           67 ILE  HA          6.00    (#   2574:20  Unique         3.00, 3.29 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=1225,1160, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ARG  HA           67 ILE  HA          8.00    (#   2575:20  Unique         4.69, 4.81 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=1179,1160, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:2577    67 ILE  HA          8.00    (#   2577:20  Single Ambig)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 853, 854,1086,
 &end
#
#   67 ILE  HG1-         67 ILE  HA          6.00    (#   2578:20  Unique         2.01, 2.94 A)
 &rst
  ixpk= 2578, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1168,1169,
 &end
#
#   67 ILE  HG1+         67 ILE  HA          6.00    (#   2579:20  Unique         2.01, 2.94 A)
 &rst
  ixpk= 2579, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1168,1169,
 &end
#
#   66 ILE  QG2          67 ILE  HA          6.00    (#   2580:20  Unique         3.08, 4.61 A)
 &rst
  ixpk= 2580, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1145,1146,1147,
 &end
#
#   67 ILE  QD1          67 ILE  HA          4.50    (#   2582:20  Unique         1.87, 3.38 A)
 &rst
  ixpk= 2582, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2584    67 ILE  HB          3.50    (#   2584:20  Single Ambig)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1158,1177,
 &end
#
#   79 PHE  HZ           67 ILE  HB          8.00    (#   2585:20  Unique         3.08, 4.90 A)
 &rst
  ixpk= 2585, nxpk= 20, iat=1381,1162, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:2586    67 ILE  HB          6.00    (#   2586:20  Single Ambig)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1100,1160,
 &end
#
#  118 THR  MG2         117 GLU  HG+         3.50    (#   2587:20  Unique         2.06, 4.33 A)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1976,1977,1978,
 igr2=1962,1963,
 &end
#
#   67 ILE  QG2          67 ILE  HB          2.80    (#   2588:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1164,1165,1166,
 &end
#
#   67 ILE  QD1          67 ILE  HB          6.00    (#   2589:20  Unique         2.42, 3.40 A)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,1162, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1171,1172,1173,
 &end
#
#   67 ILE  HN           67 ILE  HG1-        4.50    (#   2590:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 2590, nxpk= 20, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1168,1169,
 &end
#
#   56 ASP  HN           31 ILE  HG1+        6.00    (#   2591:20  Unique         2.23, 3.48 A)
 &rst
  ixpk= 2591, nxpk= 20, iat= 976,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 549, 550,
 &end
#
#   67 ILE  HA           67 ILE  HG1-        6.00    (#   2592:20  Unique         2.01, 2.94 A)
 &rst
  ixpk= 2592, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1168,1169,
 &end
#
#   67 ILE  HA           67 ILE  HG1+        6.00    (#   2593:20  Unique         2.01, 2.94 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:2594    67 ILE  HG1-        3.50    (#   2594:20  Single Ambig)
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 859, 860,1162,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:2595     0 AMB  20-1:2595   4.50    (#   2595:20  Double Ambig)
 &rst
  ixpk= 2595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1162,2176,2177,
 igr2=1168,1169,1168,1169,
 &end
#
#   35 ILE  HG1+         67 ILE  HG1-        6.00    (#   2598:20  Unique         4.41, 6.75 A)
 &rst
  ixpk= 2598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 617, 618,
 igr2=1168,1169,
 &end
#
#   35 ILE  QD1          67 ILE  HG1-        8.00    (#   2599:20  Unique         1.97, 4.74 A)
 &rst
  ixpk= 2599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 620, 621, 622,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:2600    67 ILE  QD1         6.00    (#   2600:20  Single Ambig)
 &rst
  ixpk= 2600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1158,1177,
 igr2=1171,1172,1173,
 &end
#
#   63 LEU  HA           67 ILE  QD1         8.00    (#   2604:20  Unique         3.63, 5.55 A)
 &rst
  ixpk= 2604, nxpk= 20, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1171,1172,1173,
 &end
#
#   67 ILE  HA           67 ILE  QD1         4.50    (#   2605:20  Unique         1.87, 3.38 A)
 &rst
  ixpk= 2605, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2606    67 ILE  QD1         6.00    (#   2606:20  Single Ambig)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 576,1108,1109,
 igr2=1171,1172,1173,
 &end
#
#   66 ILE  HG1-         67 ILE  QD1         6.00    (#   2607:20  Unique         4.32, 6.77 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1149,1150,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2608    67 ILE  QD1         6.00    (#   2608:20  Single Ambig)
 &rst
  ixpk= 2608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 859, 860,2179,1162,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2609    67 ILE  QD1         6.00    (#   2609:20  Single Ambig)
 &rst
  ixpk= 2609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1086, 853, 854,
 igr2=1171,1172,1173,
 &end
#
#   67 ILE  HG1-         67 ILE  QD1         3.50    (#   2610:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2610, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1168,1169,
 igr2=1171,1172,1173,
 &end
#
#   67 ILE  HG1+         67 ILE  QD1         2.80    (#   2611:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1168,1169,
 igr2=1171,1172,1173,
 &end
#
#  132 LEU  MDY          67 ILE  QD1         2.80    (#   2612:20  Unique         1.87, 5.43 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  20-2:2614    67 ILE  QG2         6.00    (#   2614:20  Single Ambig)
 &rst
  ixpk= 2614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1177,1158,
 igr2=1164,1165,1166,
 &end
#
#    0 AMB  20-2:2615    67 ILE  QG2         8.00    (#   2615:20  Single Ambig)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1249,1268,
 igr2=1164,1165,1166,
 &end
#
#   79 PHE  HE           67 ILE  QG2         4.50    (#   2617:20  Unique         2.06, 4.58 A)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1379,1383,
 igr2=1164,1165,1166,
 &end
#
#   79 PHE  HZ           67 ILE  QG2         4.50    (#   2618:20  Unique         2.23, 3.78 A)
 &rst
  ixpk= 2618, nxpk= 20, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1164,1165,1166,
 &end
#
#   68 ARG  HA           67 ILE  QG2         6.00    (#   2619:20  Unique         2.85, 3.98 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1164,1165,1166,
 &end
#
#   66 ILE  HG1-         67 ILE  QG2         8.00    (#   2620:20  Unique         5.86, 7.81 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1149,1150,
 igr2=1164,1165,1166,
 &end
#
#    0 AMB  20-2:2621    67 ILE  QG2         3.50    (#   2621:20  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1162, 859, 860,
 igr2=1164,1165,1166,
 &end
#
#   67 ILE  HG1-         67 ILE  QG2         3.50    (#   2622:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1168,1169,
 igr2=1164,1165,1166,
 &end
#
#   67 ILE  HG1+         67 ILE  QG2         4.50    (#   2623:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,
 igr2=1164,1165,1166,
 &end
#
#   81 LEU  MDY          67 ILE  QG2         2.80    (#   2624:20  Unique         1.61, 4.71 A)
 &rst
  ixpk= 2624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1164,1165,1166,
 &end
#
#    0 AMB  20-2:2625    67 ILE  QG2         6.00    (#   2625:20  Single Ambig)
 &rst
  ixpk= 2625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.39, r4=10.89,
 igr1=1088,1089,1090,1092,1093,1094,1152,1153,1154,
 igr2=1164,1165,1166,
 &end
#
#   71 LEU  MDX          67 ILE  QG2         2.80    (#   2626:20  Unique         2.00, 4.70 A)
 &rst
  ixpk= 2626, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1164,1165,1166,
 &end
#
#   35 ILE  QD1          67 ILE  QG2         6.00    (#   2627:20  Unique         2.12, 4.20 A)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 620, 621, 622,
 igr2=1164,1165,1166,
 &end
#
#   68 ARG  HN           68 ARG  HA          6.00    (#   2629:20  Unique         2.76, 2.82 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=1177,1179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ARG  HN           68 ARG  HA          8.00    (#   2630:20  Unique         4.00, 4.48 A)
 &rst
  ixpk= 2630, nxpk= 20, iat=1225,1179, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:2631    68 ARG  HA          6.00    (#   2631:20  Single Ambig)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1249,1268,
 &end
#
#    0 AMB  20-2:2632    68 ARG  HA          6.00    (#   2632:20  Single Ambig)
 &rst
  ixpk= 2632, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1369,1285,
 &end
#
#   69 ARG  HN           68 ARG  HA          6.00    (#   2633:20  Unique         3.52, 3.54 A)
 &rst
  ixpk= 2633, nxpk= 20, iat=1201,1179, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2634    68 ARG  HA          6.00    (#   2634:20  Single Ambig)
 &rst
  ixpk= 2634, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1187,1188,1373,1374,
 &end
#
#    0 AMB  20-2:2635    68 ARG  HA          2.80    (#   2635:20  Single Ambig)
 &rst
  ixpk= 2635, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2636    68 ARG  HA          4.50    (#   2636:20  Single Ambig)
 &rst
  ixpk= 2636, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1253,1254,1184,1185,1289,1290,1289,1290,
 &end
#
#   64 ILE  QG2          68 ARG  HA          8.00    (#   2637:20  Unique         4.89, 6.07 A)
 &rst
  ixpk= 2637, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1104,1105,1106,
 &end
#
#    0 AMB  20-2:2638    68 ARG  HA          6.00    (#   2638:20  Single Ambig)
 &rst
  ixpk= 2638, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,1258,1259,1260,1262,
      1263,1264,
 &end
#
#    0 AMB  20-2:2639    68 ARG  HA          3.50    (#   2639:20  Single Ambig)
 &rst
  ixpk= 2639, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,1164,1165,
      1166,
 &end
#
#   68 ARG  HN            0 AMB  20-1:2640   4.50    (#   2640:20  Single Ambig)
 &rst
  ixpk= 2640, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2642     0 AMB  20-1:2642   8.00    (#   2642:20  Double Ambig)
 &rst
  ixpk= 2642, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1369,1285,
 igr2=1181,1182,1181,1182,1181,1182,
 &end
#
#   69 ARG  HN            0 AMB  20-1:2643   6.00    (#   2643:20  Single Ambig)
 &rst
  ixpk= 2643, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1181,1182,1181,1182,
 &end
#
#   68 ARG  HE            0 AMB  20-1:2644   6.00    (#   2644:20  Single Ambig)
 &rst
  ixpk= 2644, nxpk= 20, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1181,1182,1181,1182,
 &end
#
#   65 LYS  HA            0 AMB  20-1:2645   6.00    (#   2645:20  Single Ambig)
 &rst
  ixpk= 2645, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2646     0 AMB  20-1:2646   6.00    (#   2646:20  Double Ambig)
 &rst
  ixpk= 2646, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1187,1188,1187,1188,
 igr2=1181,1182,1181,1182,
 &end
#
#   68 ARG  HA            0 AMB  20-1:2647   4.50    (#   2647:20  Single Ambig)
 &rst
  ixpk= 2647, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2648     0 AMB  20-1:2648   6.00    (#   2648:20  Double Ambig)
 &rst
  ixpk= 2648, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1187,1188,1373,1374,1373,1374,
 igr2=1181,1182,1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2649     0 AMB  20-1:2649   3.50    (#   2649:20  Double Ambig)
 &rst
  ixpk= 2649, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1184,1185,1184,1185,1289,1290,
 igr2=1181,1182,1181,1182,
 &end
#
#   64 ILE  QG2           0 AMB  20-1:2650   6.00    (#   2650:20  Single Ambig)
 &rst
  ixpk= 2650, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1104,1105,1106,
 igr2=1181,1182,1181,1182,
 &end
#
#    0 AMB  20-2:2651     0 AMB  20-1:2651   4.50    (#   2651:20  Double Ambig)
 &rst
  ixpk= 2651, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1184,1185,1294,1295,1296,1298,1299,1300,
 igr2=1181,1182,1181,1182,
 &end
#
#   68 ARG  HN           68 ARG  HG+         6.00    (#   2652:20  Unique         4.00, 4.41 A)
 &rst
  ixpk= 2652, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1184,1185,
 &end
#
#   68 ARG  HN           68 ARG  HG-         6.00    (#   2653:20  Unique         4.00, 4.41 A)
 &rst
  ixpk= 2653, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1184,1185,
 &end
#
#   68 ARG  HD+          68 ARG  HG+         6.00    (#   2654:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 2654, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1187,1188,
 igr2=1184,1185,
 &end
#
#   68 ARG  HD+          68 ARG  HG-         6.00    (#   2655:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 2655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1187,1188,
 igr2=1184,1185,
 &end
#
#   68 ARG  HA           68 ARG  HG-         6.00    (#   2656:20  Unique         2.27, 3.17 A)
 &rst
  ixpk= 2656, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1184,1185,
 &end
#
#   68 ARG  HA           68 ARG  HG+         6.00    (#   2657:20  Unique         2.27, 3.17 A)
 &rst
  ixpk= 2657, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1184,1185,
 &end
#
#    0 AMB  20-2:2658     0 AMB  20-1:2658   6.00    (#   2658:20  Double Ambig)
 &rst
  ixpk= 2658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1373,1374,1187,1188,
 igr2=1184,1185,1184,1185,
 &end
#
#    0 AMB  20-2:2660    68 ARG  HG-         4.50    (#   2660:20  Single Ambig)
 &rst
  ixpk= 2660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1181,1182,1181,1182,
 igr2=1184,1185,
 &end
#
#    0 AMB  20-2:2663     0 AMB  20-1:2663   8.00    (#   2663:20  Double Ambig)
 &rst
  ixpk= 2663, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1177,1158,
 igr2=1187,1188,1235,1236,1235,1236,1187,1188,
 &end
#
#    0 AMB  20-2:2664     0 AMB  20-1:2664   8.00    (#   2664:20  Double Ambig)
 &rst
  ixpk= 2664, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1177,1158,
 igr2=1187,1188, 911, 912,
 &end
#
#  107 GLY  HN          104 ASP  HB-         8.00    (#   2665:20  Unique         2.34, 3.63 A)
 &rst
  ixpk= 2665, nxpk= 20, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1761,1762,
 &end
#
#   68 ARG  HE           68 ARG  HD+         6.00    (#   2666:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 2666, nxpk= 20, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1187,1188,
 &end
#
#   79 PHE  HE           68 ARG  HD+         6.00    (#   2668:20  Unique         2.30, 5.96 A)
 &rst
  ixpk= 2668, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1379,1383,
 igr2=1187,1188,
 &end
#
#  113 TYR  HE          113 TYR  HB+         6.00    (#   2669:20  Unique         4.63, 5.06 A)
 &rst
  ixpk= 2669, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1906,1911,
 igr2=1900,1901,
 &end
#
#    0 AMB  20-2:2675     0 AMB  20-1:2675   3.50    (#   2675:20  Double Ambig)
 &rst
  ixpk= 2675, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1=1181,1182,1181,1182,1232,1233,1208,1209,
 igr2=1187,1188,1187,1188,1235,1236,1235,1236,
 &end
#
#    0 AMB  20-2:2676     0 AMB  20-1:2676   6.00    (#   2676:20  Double Ambig)
 &rst
  ixpk= 2676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1289,1290,1184,1185,
 igr2=1187,1188,1187,1188,
 &end
#
#    0 AMB  20-2:2677     0 AMB  20-1:2677   3.50    (#   2677:20  Double Ambig)
 &rst
  ixpk= 2677, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1181,1182,1181,1182,2176,2177,
 igr2=1187,1188, 911, 912,
 &end
#
#    0 AMB  20-2:2678     0 AMB  20-1:2678   4.50    (#   2678:20  Double Ambig)
 &rst
  ixpk= 2678, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1289,1290,1289,1290,1184,1185,1168,1169,
 igr2=1187,1188, 911, 912,
 &end
#
#    0 AMB  20-2:2679    68 ARG  HD-         8.00    (#   2679:20  Single Ambig)
 &rst
  ixpk= 2679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1205,1206,1121,1122,
 igr2=1187,1188,
 &end
#
#    0 AMB  20-2:2680     0 AMB  20-1:2680   6.00    (#   2680:20  Double Ambig)
 &rst
  ixpk= 2680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1104,1105,1106,1832,1833,1834,1836,1837,1838,
 igr2=1187,1188,1761,1762,
 &end
#
#    0 AMB  20-2:2681     0 AMB  20-1:2681   3.50    (#   2681:20  Double Ambig)
 &rst
  ixpk= 2681, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
       583, 584, 578, 579, 580, 582, 583, 584,
 igr2= 911, 912, 911, 912, 911, 912,
 &end
#
#    0 AMB  20-2:2682     0 AMB  20-1:2682   6.00    (#   2682:20  Double Ambig)
 &rst
  ixpk= 2682, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,
 igr2=1187,1188,1187,1188,
 &end
#
#    0 AMB  20-2:2683    68 ARG  HD-         6.00    (#   2683:20  Single Ambig)
 &rst
  ixpk= 2683, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,
 igr2=1187,1188,
 &end
#
#   70 ARG  HN           69 ARG  HA          6.00    (#   2684:20  Unique         3.35, 3.50 A)
 &rst
  ixpk= 2684, nxpk= 20, iat=1225,1203, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2685    69 ARG  HA          6.00    (#   2685:20  Single Ambig)
 &rst
  ixpk= 2685, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1268,1249,
 &end
#
#    0 AMB  20-2:2686    69 ARG  HA          6.00    (#   2686:20  Single Ambig)
 &rst
  ixpk= 2686, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1280,1281,1285,
 &end
#
#   69 ARG  HN           69 ARG  HA          4.50    (#   2687:20  Unique         2.82, 2.90 A)
 &rst
  ixpk= 2687, nxpk= 20, iat=1201,1203, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:2689    69 ARG  HA          6.00    (#   2689:20  Single Ambig)
 &rst
  ixpk= 2689, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1211,1212,1211,1212,
 &end
#
#   69 ARG  HB+          69 ARG  HA          3.50    (#   2690:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 2690, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1205,1206,
 &end
#
#   69 ARG  HG+          69 ARG  HA          4.50    (#   2691:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 2691, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   69 ARG  HG-          69 ARG  HA          4.50    (#   2692:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 2692, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1208,1209,
 &end
#
#   69 ARG  HN           69 ARG  HB+         3.50    (#   2693:20  Unique         2.10, 2.67 A)
 &rst
  ixpk= 2693, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1205,1206,
 &end
#
#    0 AMB  20-2:2694     0 AMB  20-1:2694   2.80    (#   2694:20  Double Ambig)
 &rst
  ixpk= 2694, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1227, 379,
 igr2=1229,1230,1229,1230, 357, 358,1205,1206,
 &end
#
#   66 ILE  HA           69 ARG  HB+         6.00    (#   2695:20  Unique         2.71, 3.96 A)
 &rst
  ixpk= 2695, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1205,1206,
 &end
#
#   66 ILE  HA            0 AMB  20-1:2696   6.00    (#   2696:20  Single Ambig)
 &rst
  ixpk= 2696, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1205,1206,1229,1230,1229,1230,
 &end
#
#    0 AMB  20-2:2697     0 AMB  20-1:2697   3.50    (#   2697:20  Double Ambig)
 &rst
  ixpk= 2697, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1211,1212,1211,1212,1235,1236,
 igr2=1205,1206,1229,1230,1229,1230,
 &end
#
#    0 AMB  20-2:2698     0 AMB  20-1:2698   2.80    (#   2698:20  Double Ambig)
 &rst
  ixpk= 2698, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1208,1209,1232,1233,
 igr2=1205,1206,1205,1206,
 &end
#
#    0 AMB  20-2:2699     0 AMB  20-1:2699   2.80    (#   2699:20  Double Ambig)
 &rst
  ixpk= 2699, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.54, r4= 6.04,
 igr1=1208,1209,1232,1233,2176,2177,
 igr2=1205,1206,1229,1230,1229,1230,1229,1230,1229,1230,
      
 &end
#
#    0 AMB  20-2:2700     0 AMB  20-1:2700   2.80    (#   2700:20  Double Ambig)
 &rst
  ixpk= 2700, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1208,1209, 360, 361,1232,1233,
 igr2=1205,1206, 357, 358,1205,1206,
 &end
#
#   69 ARG  HN            0 AMB  20-1:2701   6.00    (#   2701:20  Single Ambig)
 &rst
  ixpk= 2701, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1211,1212,1211,1212,
 &end
#
#    0 AMB  20-2:2702     0 AMB  20-1:2702   6.00    (#   2702:20  Double Ambig)
 &rst
  ixpk= 2702, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1214,1238,
 igr2=1211,1212,1211,1212,1235,1236,1211,1212,
 &end
#
#   10 ARG  HG-           0 AMB  20-1:2704   6.00    (#   2704:20  Single Ambig)
 &rst
  ixpk= 2704, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 163, 164,
 igr2= 166, 167, 166, 167,
 &end
#
#   66 ILE  QD1          70 ARG  HD-         8.00    (#   2707:20  Unique         2.10, 4.73 A)
 &rst
  ixpk= 2707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1152,1153,1154,
 igr2=1235,1236,
 &end
#
#    0 AMB  20-2:2708    70 ARG  HA          6.00    (#   2708:20  Single Ambig)
 &rst
  ixpk= 2708, nxpk= 20, iat=  -1,1227, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1249,1268,
 &end
#
#   70 ARG  HN            0 AMB  20-1:2709   8.00    (#   2709:20  Single Ambig)
 &rst
  ixpk= 2709, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1208,1209,1232,1233,
 &end
#
#    0 AMB  20-2:2710    71 LEU  HA          6.00    (#   2710:20  Single Ambig)
 &rst
  ixpk= 2710, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1275,1276,1275,1276,1272,1273,
 &end
#
#    0 AMB  20-2:2711    71 LEU  HA          6.00    (#   2711:20  Single Ambig)
 &rst
  ixpk= 2711, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 825, 822, 823,
 &end
#
#    0 AMB  20-2:2713    71 LEU  HA          6.00    (#   2713:20  Single Ambig)
 &rst
  ixpk= 2713, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1232,1233,1292,
 &end
#
#    0 AMB  20-2:2715    71 LEU  HA          6.00    (#   2715:20  Single Ambig)
 &rst
  ixpk= 2715, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#    0 AMB  20-2:2717    71 LEU  HA          6.00    (#   2717:20  Single Ambig)
 &rst
  ixpk= 2717, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
 &end
#
#   71 LEU  MDX          71 LEU  HA          6.00    (#   2718:20  Unique         1.78, 3.78 A)
 &rst
  ixpk= 2718, nxpk= 20, iat=  -1,1251, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2719     0 AMB  20-1:2719   6.00    (#   2719:20  Double Ambig)
 &rst
  ixpk= 2719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1249,1268,
 igr2=1253,1254,1253,1254,
 &end
#
#    0 AMB  20-2:2720    71 LEU  HB-         6.00    (#   2720:20  Single Ambig)
 &rst
  ixpk= 2720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1249,1268,
 igr2=1253,1254,
 &end
#
#   73 LEU  HN           71 LEU  HB-         8.00    (#   2721:20  Unique         3.00, 4.91 A)
 &rst
  ixpk= 2721, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1253,1254,
 &end
#
#   73 LEU  HN           71 LEU  HB+         8.00    (#   2722:20  Unique         3.00, 4.91 A)
 &rst
  ixpk= 2722, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1253,1254,
 &end
#
#   71 LEU  HA           71 LEU  HB+         6.00    (#   2723:20  Unique         2.26, 2.69 A)
 &rst
  ixpk= 2723, nxpk= 20, iat=1251,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1253,1254,
 &end
#
#   68 ARG  HA           71 LEU  HB+         8.00    (#   2724:20  Unique         2.19, 4.31 A)
 &rst
  ixpk= 2724, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1253,1254,
 &end
#
#   68 ARG  HA           71 LEU  HB-         8.00    (#   2725:20  Unique         2.19, 4.31 A)
 &rst
  ixpk= 2725, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1253,1254,
 &end
#
#    0 AMB  20-2:2726    71 LEU  HB-         8.00    (#   2726:20  Single Ambig)
 &rst
  ixpk= 2726, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 825, 822, 823,
 igr2=1253,1254,
 &end
#
#    0 AMB  20-2:2730    71 LEU  HB-         6.00    (#   2730:20  Single Ambig)
 &rst
  ixpk= 2730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
 igr2=1253,1254,
 &end
#
#   71 LEU  MDX          71 LEU  HB-         6.00    (#   2731:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 2731, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1253,1254,
 &end
#
#    0 AMB  20-2:2732    71 LEU  HG          6.00    (#   2732:20  Single Ambig)
 &rst
  ixpk= 2732, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1251,1227,
 &end
#
#   67 ILE  QG2          71 LEU  HG          6.00    (#   2733:20  Unique         1.98, 3.62 A)
 &rst
  ixpk= 2733, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1164,1165,1166,
 &end
#
#    0 AMB  20-2:2734    71 LEU  MDX         6.00    (#   2734:20  Single Ambig)
 &rst
  ixpk= 2734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1249,1268,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   73 LEU  HN           71 LEU  MDX         8.00    (#   2735:20  Unique         3.69, 7.38 A)
 &rst
  ixpk= 2735, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   79 PHE  HD           71 LEU  MDX         6.00    (#   2736:20  Unique         3.00, 7.48 A)
 &rst
  ixpk= 2736, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1377,1385,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   71 LEU  HA           71 LEU  MDX         6.00    (#   2739:20  Unique         1.78, 3.78 A)
 &rst
  ixpk= 2739, nxpk= 20, iat=1251,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   68 ARG  HA           71 LEU  MDX         6.00    (#   2741:20  Unique         2.42, 5.61 A)
 &rst
  ixpk= 2741, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2742    71 LEU  MDX         6.00    (#   2742:20  Single Ambig)
 &rst
  ixpk= 2742, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 825, 822, 823,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   49 LYS  HD+          71 LEU  MDX         6.00    (#   2744:20  Unique         1.55, 4.11 A)
 &rst
  ixpk= 2744, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 859, 860,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2745    71 LEU  MDX         4.50    (#   2745:20  Single Ambig)
 &rst
  ixpk= 2745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 856, 857, 856, 857,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2746    71 LEU  MDX         2.80    (#   2746:20  Single Ambig)
 &rst
  ixpk= 2746, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 859, 860, 853, 854,1253,1254,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2747    71 LEU  MDX         6.00    (#   2747:20  Single Ambig)
 &rst
  ixpk= 2747, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2749    71 LEU  MDX         3.50    (#   2749:20  Single Ambig)
 &rst
  ixpk= 2749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   48 ASP  HN           71 LEU  MDY         6.00    (#   2751:20  Unique         3.24, 6.27 A)
 &rst
  ixpk= 2751, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   68 ARG  HN           71 LEU  MDY         8.00    (#   2752:20  Unique         4.19, 6.64 A)
 &rst
  ixpk= 2752, nxpk= 20, iat=1177,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2753    71 LEU  MDY         8.00    (#   2753:20  Single Ambig)
 &rst
  ixpk= 2753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 871, 818,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#  113 TYR  HD           71 LEU  MDY         6.00    (#   2754:20  Unique         3.19, 6.89 A)
 &rst
  ixpk= 2754, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1904,1913,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#  113 TYR  HE           71 LEU  MDY         6.00    (#   2755:20  Unique         1.84, 6.25 A)
 &rst
  ixpk= 2755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1906,1911,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#  113 TYR  HB-          71 LEU  MDY         6.00    (#   2758:20  Unique         4.04, 7.42 A)
 &rst
  ixpk= 2758, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1900,1901,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2759    71 LEU  MDY         6.00    (#   2759:20  Single Ambig)
 &rst
  ixpk= 2759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1272,1273,1272,1273,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   49 LYS  HD+          71 LEU  MDY         6.00    (#   2762:20  Unique         1.55, 4.11 A)
 &rst
  ixpk= 2762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 859, 860,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2763    71 LEU  MDY         2.80    (#   2763:20  Single Ambig)
 &rst
  ixpk= 2763, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2765    72 GLN  HA          6.00    (#   2765:20  Single Ambig)
 &rst
  ixpk= 2765, nxpk= 20, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1292,1208,1209,
 &end
#
#    0 AMB  20-2:2766    72 GLN  HA          6.00    (#   2766:20  Single Ambig)
 &rst
  ixpk= 2766, nxpk= 20, iat=  -1,1270, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1253,1254,1289,1290,
 &end
#
#   72 GLN  HN           72 GLN  HB+         6.00    (#   2767:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 2767, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1272,1273,
 &end
#
#   72 GLN  HN           72 GLN  HB-         6.00    (#   2768:20  Unique         2.10, 3.26 A)
 &rst
  ixpk= 2768, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1272,1273,
 &end
#
#    0 AMB  20-2:2769     0 AMB  20-1:2769   6.00    (#   2769:20  Double Ambig)
 &rst
  ixpk= 2769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1285,1280,1281,
 igr2=1272,1273,1272,1273,
 &end
#
#    0 AMB  20-2:2770    72 GLN  HB-         6.00    (#   2770:20  Single Ambig)
 &rst
  ixpk= 2770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1285,1280,1281,
 igr2=1272,1273,
 &end
#
#    0 AMB  20-2:2771    72 GLN  HB-         8.00    (#   2771:20  Single Ambig)
 &rst
  ixpk= 2771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1251,1227,
 igr2=1272,1273,
 &end
#
#   77 GLN  HG+          72 GLN  HB+         6.00    (#   2772:20  Unique         5.24, 7.72 A)
 &rst
  ixpk= 2772, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1272,1273,
 &end
#
#   77 GLN  HG+          72 GLN  HB-         6.00    (#   2773:20  Unique         5.24, 7.72 A)
 &rst
  ixpk= 2773, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1272,1273,
 &end
#
#   47 LEU  HG           72 GLN  HB+         6.00    (#   2774:20  Unique         1.98, 5.51 A)
 &rst
  ixpk= 2774, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1272,1273,
 &end
#
#   47 LEU  HG           72 GLN  HB-         6.00    (#   2775:20  Unique         1.98, 5.51 A)
 &rst
  ixpk= 2775, nxpk= 20, iat= 825,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1272,1273,
 &end
#
#   70 ARG  HN            0 AMB  20-1:2776   8.00    (#   2776:20  Single Ambig)
 &rst
  ixpk= 2776, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1275,1276,1275,1276,
 &end
#
#   72 GLN  HN            0 AMB  20-1:2777   3.50    (#   2777:20  Single Ambig)
 &rst
  ixpk= 2777, nxpk= 20, iat=1268,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1275,1276,1275,1276,
 &end
#
#    0 AMB  20-2:2778     0 AMB  20-1:2778   4.50    (#   2778:20  Double Ambig)
 &rst
  ixpk= 2778, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1280,1281,1280,1281,1285,
 igr2=1275,1276,1275,1276,1275,1276,
 &end
#
#   72 GLN  HE2-          0 AMB  20-1:2779   6.00    (#   2779:20  Single Ambig)
 &rst
  ixpk= 2779, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1280,1281,
 igr2=1275,1276,1275,1276,
 &end
#
#   72 GLN  HA            0 AMB  20-1:2780   2.80    (#   2780:20  Single Ambig)
 &rst
  ixpk= 2780, nxpk= 20, iat=1270,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1275,1276,1275,1276,
 &end
#
#   74 ASN  HN           73 LEU  HA          3.50    (#   2782:20  Unique         2.14, 2.72 A)
 &rst
  ixpk= 2782, nxpk= 20, iat=1304,1287, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2783    73 LEU  HA          6.00    (#   2783:20  Single Ambig)
 &rst
  ixpk= 2783, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1342,
 &end
#
#   74 ASN  HB+          73 LEU  HA          6.00    (#   2784:20  Unique         3.88, 4.99 A)
 &rst
  ixpk= 2784, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1308,1309,
 &end
#
#    0 AMB  20-2:2785    73 LEU  HA          6.00    (#   2785:20  Single Ambig)
 &rst
  ixpk= 2785, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1346,1347, 792, 793,1272,1273,
 &end
#
#   77 GLN  HB-          73 LEU  HA          8.00    (#   2786:20  Unique         2.38, 4.67 A)
 &rst
  ixpk= 2786, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1346,1347,
 &end
#
#   73 LEU  HG           73 LEU  HA          6.00    (#   2788:20  Unique         2.36, 2.82 A)
 &rst
  ixpk= 2788, nxpk= 20, iat=1292,1287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 LEU  HB-          73 LEU  HA          3.50    (#   2790:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 2790, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1289,1290,
 &end
#
#   73 LEU  MDY          73 LEU  HA          2.80    (#   2791:20  Unique         2.19, 4.07 A)
 &rst
  ixpk= 2791, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   73 LEU  MDX          73 LEU  HA          6.00    (#   2792:20  Unique         2.19, 4.07 A)
 &rst
  ixpk= 2792, nxpk= 20, iat=  -1,1287, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   74 ASN  HN           73 LEU  HB+         6.00    (#   2793:20  Unique         2.09, 3.69 A)
 &rst
  ixpk= 2793, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   74 ASN  HN           73 LEU  HB-         6.00    (#   2794:20  Unique         2.09, 3.69 A)
 &rst
  ixpk= 2794, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   73 LEU  HN           73 LEU  HB+         6.00    (#   2795:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 2795, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   73 LEU  HA           73 LEU  HB-         6.00    (#   2796:20  Unique         2.30, 2.71 A)
 &rst
  ixpk= 2796, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1289,1290,
 &end
#
#   77 GLN  HB+          73 LEU  HB+         6.00    (#   2797:20  Unique         1.99, 4.66 A)
 &rst
  ixpk= 2797, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1289,1290,
 &end
#
#   77 GLN  HB-          73 LEU  HB+         6.00    (#   2798:20  Unique         1.99, 4.66 A)
 &rst
  ixpk= 2798, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1289,1290,
 &end
#
#   77 GLN  HB-          73 LEU  HB-         6.00    (#   2799:20  Unique         1.99, 4.66 A)
 &rst
  ixpk= 2799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1289,1290,
 &end
#
#   73 LEU  HG           73 LEU  HB+         4.50    (#   2800:20  Unique         2.34, 2.77 A)
 &rst
  ixpk= 2800, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1289,1290,
 &end
#
#   73 LEU  HG           73 LEU  HB-         4.50    (#   2801:20  Unique         2.34, 2.77 A)
 &rst
  ixpk= 2801, nxpk= 20, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1289,1290,
 &end
#
#   73 LEU  MDY          73 LEU  HB+         4.50    (#   2802:20  Unique         2.33, 3.25 A)
 &rst
  ixpk= 2802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1289,1290,
 &end
#
#   73 LEU  MDY          73 LEU  HB-         3.50    (#   2803:20  Unique         2.33, 3.25 A)
 &rst
  ixpk= 2803, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1289,1290,
 &end
#
#    0 AMB  20-2:2804     0 AMB  20-1:2804   4.50    (#   2804:20  Double Ambig)
 &rst
  ixpk= 2804, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1=1184,1185,1294,1295,1296,1298,1299,1300,
 igr2=1289,1290,1289,1290,
 &end
#
#    0 AMB  20-2:2805    73 LEU  HB-         4.50    (#   2805:20  Single Ambig)
 &rst
  ixpk= 2805, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1184,1185,1294,1295,1296,1298,1299,1300,
 igr2=1289,1290,
 &end
#
#    0 AMB  20-2:2806    73 LEU  HG          6.00    (#   2806:20  Single Ambig)
 &rst
  ixpk= 2806, nxpk= 20, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1268,1249,
 &end
#
#   73 LEU  HA           73 LEU  HG          8.00    (#   2807:20  Unique         2.36, 2.82 A)
 &rst
  ixpk= 2807, nxpk= 20, iat=1287,1292, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   73 LEU  MDX          73 LEU  HG          4.50    (#   2808:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2808, nxpk= 20, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   71 LEU  MDX          73 LEU  HG          8.00    (#   2809:20  Unique         3.33, 6.39 A)
 &rst
  ixpk= 2809, nxpk= 20, iat=  -1,1292, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  20-2:2810    58 VAL  MGX         3.50    (#   2810:20  Single Ambig)
 &rst
  ixpk= 2810, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1008,1081,
 igr2=1012,1013,1014,1016,1017,1018,
 &end
#
#   45 PRO  HD-          73 LEU  MDY         6.00    (#   2811:20  Unique         1.52, 5.94 A)
 &rst
  ixpk= 2811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 789, 790,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   77 GLN  HG+          73 LEU  MDY         6.00    (#   2812:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 2812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1349,1350,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   38 TYR  HN           38 TYR  HB-         6.00    (#   2814:20  Unique         2.24, 3.00 A)
 &rst
  ixpk= 2814, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 669, 670,
 &end
#
#   38 TYR  HA           38 TYR  HB-         4.50    (#   2816:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 2816, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 669, 670,
 &end
#
#   41 GLU  HB-          38 TYR  HB-         6.00    (#   2817:20  Unique         4.08, 6.84 A)
 &rst
  ixpk= 2817, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 719, 720,
 igr2= 669, 670,
 &end
#
#  112 VAL  HB           38 TYR  HB-         6.00    (#   2818:20  Unique         1.92, 3.03 A)
 &rst
  ixpk= 2818, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 669, 670,
 &end
#
#    0 AMB  20-2:2819    38 TYR  HB-         6.00    (#   2819:20  Single Ambig)
 &rst
  ixpk= 2819, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 igr2= 669, 670,
 &end
#
#   76 ASN  HN           75 ALA  HA          6.00    (#   2820:20  Unique         3.24, 3.42 A)
 &rst
  ixpk= 2820, nxpk= 20, iat=1328,1320, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2821    75 ALA  HA          6.00    (#   2821:20  Single Ambig)
 &rst
  ixpk= 2821, nxpk= 20, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1342,1337,1338,
 &end
#
#    0 AMB  20-2:2825    75 ALA  HA          6.00    (#   2825:20  Single Ambig)
 &rst
  ixpk= 2825, nxpk= 20, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1332,1333,1332,1333,
 &end
#
#   75 ALA  MB           75 ALA  HA          2.80    (#   2826:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2826, nxpk= 20, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1322,1323,1324,
 &end
#
#   75 ALA  HN           75 ALA  MB          3.50    (#   2827:20  Unique         2.47, 2.92 A)
 &rst
  ixpk= 2827, nxpk= 20, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1322,1323,1324,
 &end
#
#   76 ASN  HN           75 ALA  MB          4.50    (#   2828:20  Unique         2.24, 3.72 A)
 &rst
  ixpk= 2828, nxpk= 20, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1322,1323,1324,
 &end
#
#   76 ASN  HD2+         75 ALA  MB          6.00    (#   2829:20  Unique         2.76, 7.54 A)
 &rst
  ixpk= 2829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1337,1338,
 igr2=1322,1323,1324,
 &end
#
#   76 ASN  HN           76 ASN  HA          6.00    (#   2832:20  Unique         2.76, 2.89 A)
 &rst
  ixpk= 2832, nxpk= 20, iat=1328,1330, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2833    76 ASN  HA          4.50    (#   2833:20  Single Ambig)
 &rst
  ixpk= 2833, nxpk= 20, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1332,1333,1332,1333,
 &end
#
#   75 ALA  MB           76 ASN  HA          8.00    (#   2834:20  Unique         4.22, 4.96 A)
 &rst
  ixpk= 2834, nxpk= 20, iat=  -1,1330, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1322,1323,1324,
 &end
#
#   76 ASN  HN            0 AMB  20-1:2836   3.50    (#   2836:20  Single Ambig)
 &rst
  ixpk= 2836, nxpk= 20, iat=1328,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1332,1333,1332,1333,
 &end
#
#   76 ASN  HD2-          0 AMB  20-1:2837   6.00    (#   2837:20  Single Ambig)
 &rst
  ixpk= 2837, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1337,1338,
 igr2=1332,1333,1332,1333,
 &end
#
#   77 GLN  HA            0 AMB  20-1:2838   8.00    (#   2838:20  Single Ambig)
 &rst
  ixpk= 2838, nxpk= 20, iat=1344,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1332,1333,1332,1333,
 &end
#
#   75 ALA  HA            0 AMB  20-1:2839   8.00    (#   2839:20  Single Ambig)
 &rst
  ixpk= 2839, nxpk= 20, iat=1320,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1332,1333,1332,1333,
 &end
#
#   77 GLN  HG-           0 AMB  20-1:2840   6.00    (#   2840:20  Single Ambig)
 &rst
  ixpk= 2840, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1349,1350,
 igr2=1332,1333,1332,1333,
 &end
#
#   75 ALA  MB            0 AMB  20-1:2841   6.00    (#   2841:20  Single Ambig)
 &rst
  ixpk= 2841, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1322,1323,1324,
 igr2=1332,1333,1332,1333,
 &end
#
#   74 ASN  HB+          77 GLN  HB+         8.00    (#   2842:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 2842, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1308,1309,
 igr2=1346,1347,
 &end
#
#    0 AMB  20-2:2843     0 AMB  20-1:2843   6.00    (#   2843:20  Double Ambig)
 &rst
  ixpk= 2843, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1308,1309,  74,  75,
 igr2=1346,1347, 143, 144,
 &end
#
#   74 ASN  HB-          77 GLN  HB+         6.00    (#   2844:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 2844, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1308,1309,
 igr2=1346,1347,
 &end
#
#   74 ASN  HN           77 GLN  HG+         8.00    (#   2845:20  Unique         2.84, 4.37 A)
 &rst
  ixpk= 2845, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1349,1350,
 &end
#
#   74 ASN  HN           77 GLN  HG-         8.00    (#   2846:20  Unique         2.84, 4.37 A)
 &rst
  ixpk= 2846, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1349,1350,
 &end
#
#   78 ALA  HN           77 GLN  HG-         6.00    (#   2847:20  Unique         2.06, 3.25 A)
 &rst
  ixpk= 2847, nxpk= 20, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1349,1350,
 &end
#
#   78 ALA  HN           77 GLN  HG+         6.00    (#   2848:20  Unique         2.06, 3.25 A)
 &rst
  ixpk= 2848, nxpk= 20, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1349,1350,
 &end
#
#    6 THR  HN            0 AMB  20-1:2849   6.00    (#   2849:20  Single Ambig)
 &rst
  ixpk= 2849, nxpk= 20, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#   77 GLN  HE2+         77 GLN  HG-         4.50    (#   2850:20  Unique         2.15, 3.36 A)
 &rst
  ixpk= 2850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1354,1355,
 igr2=1349,1350,
 &end
#
#   15 GLN  HN           15 GLN  HG-         8.00    (#   2851:20  Unique         2.21, 3.00 A)
 &rst
  ixpk= 2851, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 260, 261,
 &end
#
#    0 AMB  20-2:2852     0 AMB  20-1:2852   3.50    (#   2852:20  Double Ambig)
 &rst
  ixpk= 2852, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 265, 266,1342,
 igr2= 260, 261,1349,1350,
 &end
#
#   77 GLN  HE2-         77 GLN  HG-         3.50    (#   2853:20  Unique         2.15, 3.36 A)
 &rst
  ixpk= 2853, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1354,1355,
 igr2=1349,1350,
 &end
#
#   76 ASN  HD2-         77 GLN  HG+         6.00    (#   2856:20  Unique         5.90, 7.23 A)
 &rst
  ixpk= 2856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1337,1338,
 igr2=1349,1350,
 &end
#
#   15 GLN  HE2-         15 GLN  HG-         6.00    (#   2857:20  Unique         2.15, 3.22 A)
 &rst
  ixpk= 2857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 265, 266,
 igr2= 260, 261,
 &end
#
#    0 AMB  20-2:2858     0 AMB  20-1:2858   4.50    (#   2858:20  Double Ambig)
 &rst
  ixpk= 2858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1722, 771,
 igr2=1727,1728,1349,1350,
 &end
#
#   12 THR  HB           15 GLN  HG-         6.00    (#   2859:20  Unique         5.34, 6.69 A)
 &rst
  ixpk= 2859, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 260, 261,
 &end
#
#    0 AMB  20-2:2860     0 AMB  20-1:2860   4.50    (#   2860:20  Double Ambig)
 &rst
  ixpk= 2860, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1344,1287,
 igr2=1349,1350,1349,1350,
 &end
#
#   98 VAL  HA          102 GLU  HG+         8.00    (#   2861:20  Unique         2.68, 4.04 A)
 &rst
  ixpk= 2861, nxpk= 20, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1727,1728,
 &end
#
#  102 GLU  HB-         102 GLU  HG+         3.50    (#   2862:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2862, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1724,1725,
 igr2=1727,1728,
 &end
#
#    0 AMB  20-2:2863     0 AMB  20-1:2863   3.50    (#   2863:20  Double Ambig)
 &rst
  ixpk= 2863, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.27, r4= 7.77,
 igr1= 298, 384, 773, 774, 360, 361, 360, 361,
 igr2= 317, 318, 317, 318, 317, 318,1349,1350, 317, 318,
      
 &end
#
#    0 AMB  20-2:2864     0 AMB  20-1:2864   3.50    (#   2864:20  Double Ambig)
 &rst
  ixpk= 2864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 778, 779, 780, 782, 783, 784, 187, 188,
 igr2=1349,1350, 260, 261,
 &end
#
#    0 AMB  20-2:2865     0 AMB  20-1:2865   2.80    (#   2865:20  Double Ambig)
 &rst
  ixpk= 2865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1727,1728,1727,1728,1727,1728,
 &end
#
#   17 VAL  MGX           0 AMB  20-1:2866   6.00    (#   2866:20  Single Ambig)
 &rst
  ixpk= 2866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 317, 318, 317, 318,
 &end
#
#   73 LEU  MDY          77 GLN  HG-         6.00    (#   2867:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 2867, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1349,1350,
 &end
#
#   73 LEU  MDX          77 GLN  HG+         6.00    (#   2868:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 2868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1349,1350,
 &end
#
#   73 LEU  MDX          77 GLN  HG-         6.00    (#   2869:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 2869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1349,1350,
 &end
#
#   80 PHE  HE           78 ALA  HA          6.00    (#   2870:20  Unique         4.19, 6.53 A)
 &rst
  ixpk= 2870, nxpk= 20, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1399,1403,
 &end
#
#   79 PHE  HD           78 ALA  HA          8.00    (#   2872:20  Unique         3.28, 6.21 A)
 &rst
  ixpk= 2872, nxpk= 20, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1377,1385,
 &end
#
#   79 PHE  HA           78 ALA  HA          6.00    (#   2873:20  Unique         4.38, 4.45 A)
 &rst
  ixpk= 2873, nxpk= 20, iat=1371,1361, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2875    78 ALA  HA          8.00    (#   2875:20  Single Ambig)
 &rst
  ixpk= 2875, nxpk= 20, iat=  -1,1361, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1187,1188,1373,1374,
 &end
#
#   79 PHE  HB-          78 ALA  HA          8.00    (#   2876:20  Unique         3.93, 4.55 A)
 &rst
  ixpk= 2876, nxpk= 20, iat=  -1,1361, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1373,1374,
 &end
#
#   80 PHE  HN           78 ALA  MB          8.00    (#   2879:20  Unique         4.73, 6.33 A)
 &rst
  ixpk= 2879, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1363,1364,1365,
 &end
#
#   77 GLN  HE2+         78 ALA  MB          6.00    (#   2880:20  Unique         3.85, 6.69 A)
 &rst
  ixpk= 2880, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1354,1355,
 igr2=1363,1364,1365,
 &end
#
#   77 GLN  HE2-         78 ALA  MB          6.00    (#   2881:20  Unique         3.85, 6.69 A)
 &rst
  ixpk= 2881, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1354,1355,
 igr2=1363,1364,1365,
 &end
#
#    0 AMB  20-2:2883    78 ALA  MB          8.00    (#   2883:20  Single Ambig)
 &rst
  ixpk= 2883, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1393,1394,1373,1374,
 igr2=1363,1364,1365,
 &end
#
#   80 PHE  HN           79 PHE  HA          3.50    (#   2884:20  Unique         2.13, 2.24 A)
 &rst
  ixpk= 2884, nxpk= 20, iat=1389,1371, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PHE  HN           79 PHE  HA          6.00    (#   2885:20  Unique         2.88, 2.93 A)
 &rst
  ixpk= 2885, nxpk= 20, iat=1369,1371, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2886    79 PHE  HA          4.50    (#   2886:20  Single Ambig)
 &rst
  ixpk= 2886, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1377,1385,1397,1405,
 &end
#
#   79 PHE  HB+          79 PHE  HA          6.00    (#   2887:20  Unique         2.21, 2.59 A)
 &rst
  ixpk= 2887, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1373,1374,
 &end
#
#   79 PHE  HB-          79 PHE  HA          6.00    (#   2888:20  Unique         2.21, 2.59 A)
 &rst
  ixpk= 2888, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1373,1374,
 &end
#
#    0 AMB  20-2:2889    79 PHE  HA          8.00    (#   2889:20  Single Ambig)
 &rst
  ixpk= 2889, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
 igr1=1363,1364,1365,1181,1182,1181,1182,
 &end
#
#   44 LEU  MDX          79 PHE  HA          6.00    (#   2890:20  Unique         2.26, 4.53 A)
 &rst
  ixpk= 2890, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   73 LEU  MDX          79 PHE  HA          8.00    (#   2891:20  Unique         2.65, 5.06 A)
 &rst
  ixpk= 2891, nxpk= 20, iat=  -1,1371, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   80 PHE  HN           79 PHE  HB+         6.00    (#   2892:20  Unique         2.55, 3.92 A)
 &rst
  ixpk= 2892, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1373,1374,
 &end
#
#   80 PHE  HN           79 PHE  HB-         6.00    (#   2893:20  Unique         2.55, 3.92 A)
 &rst
  ixpk= 2893, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1373,1374,
 &end
#
#    0 AMB  20-2:2894     0 AMB  20-1:2894   6.00    (#   2894:20  Double Ambig)
 &rst
  ixpk= 2894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1369,1285,
 igr2=1373,1374,1373,1374,
 &end
#
#    0 AMB  20-2:2895    79 PHE  HB-         6.00    (#   2895:20  Single Ambig)
 &rst
  ixpk= 2895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1369,1285,
 igr2=1373,1374,
 &end
#
#   79 PHE  HE            0 AMB  20-1:2896   6.00    (#   2896:20  Single Ambig)
 &rst
  ixpk= 2896, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1379,1383,
 igr2=1373,1374,1393,1394,
 &end
#
#   79 PHE  HE           79 PHE  HB-         6.00    (#   2897:20  Unique         4.61, 5.04 A)
 &rst
  ixpk= 2897, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1379,1383,
 igr2=1373,1374,
 &end
#
#   79 PHE  HD           79 PHE  HB-         3.50    (#   2898:20  Unique         2.30, 3.04 A)
 &rst
  ixpk= 2898, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1377,1385,
 igr2=1373,1374,
 &end
#
#   79 PHE  HA           79 PHE  HB-         6.00    (#   2899:20  Unique         2.21, 2.59 A)
 &rst
  ixpk= 2899, nxpk= 20, iat=1371,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1373,1374,
 &end
#
#   64 ILE  QG2          79 PHE  HB-         8.00    (#   2902:20  Unique         4.79, 7.63 A)
 &rst
  ixpk= 2902, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1104,1105,1106,
 igr2=1373,1374,
 &end
#
#    0 AMB  20-2:2903     0 AMB  20-1:2903   3.50    (#   2903:20  Double Ambig)
 &rst
  ixpk= 2903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.93, r4= 7.43,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,1745,1746,
      
 igr2=1373,1374,1373,1374,1748,1749,
 &end
#
#    0 AMB  20-2:2904    79 PHE  HB-         6.00    (#   2904:20  Single Ambig)
 &rst
  ixpk= 2904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,
 igr2=1373,1374,
 &end
#
#    0 AMB  20-2:2905    80 PHE  HA          6.00    (#   2905:20  Single Ambig)
 &rst
  ixpk= 2905, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1389,1917,
 &end
#
#    0 AMB  20-2:2906     0 AMB  20-1:2906   4.50    (#   2906:20  Double Ambig)
 &rst
  ixpk= 2906, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2004, 337,
 igr2=1986, 327,
 &end
#
#  116 GLN  HE2+        119 PHE  HA          6.00    (#   2907:20  Unique         3.33, 5.86 A)
 &rst
  ixpk= 2907, nxpk= 20, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1950,1951,
 &end
#
#   80 PHE  HE           80 PHE  HA          8.00    (#   2908:20  Unique         4.40, 5.16 A)
 &rst
  ixpk= 2908, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1399,1403,
 &end
#
#  116 GLN  HG+         119 PHE  HA          6.00    (#   2909:20  Unique         2.64, 4.82 A)
 &rst
  ixpk= 2909, nxpk= 20, iat=  -1,1986, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1945,1946,
 &end
#
#    0 AMB  20-2:2910    80 PHE  HA          6.00    (#   2910:20  Single Ambig)
 &rst
  ixpk= 2910, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   63 LEU  HB-          60 MET  HA          6.00    (#   2911:20  Unique         2.08, 4.43 A)
 &rst
  ixpk= 2911, nxpk= 20, iat=  -1,1038, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1083,1084,
 &end
#
#    0 AMB  20-2:2912    80 PHE  HA          6.00    (#   2912:20  Single Ambig)
 &rst
  ixpk= 2912, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 8.95, r4= 9.45,
 igr1=1413,1414,1435, 778, 779, 780, 782, 783, 784,1959,
      1960,
 &end
#
#    0 AMB  20-2:2913    80 PHE  HA          6.00    (#   2913:20  Single Ambig)
 &rst
  ixpk= 2913, nxpk= 20, iat=  -1,1391, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:2914    80 PHE  HB-         4.50    (#   2914:20  Single Ambig)
 &rst
  ixpk= 2914, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1389,1917,
 igr2=1393,1394,
 &end
#
#   81 LEU  HN           80 PHE  HB-         6.00    (#   2915:20  Unique         2.57, 3.75 A)
 &rst
  ixpk= 2915, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1393,1394,
 &end
#
#   80 PHE  HE           80 PHE  HB-         6.00    (#   2916:20  Unique         4.61, 5.05 A)
 &rst
  ixpk= 2916, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1399,1403,
 igr2=1393,1394,
 &end
#
#   80 PHE  HD           80 PHE  HB-         3.50    (#   2917:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 2917, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1397,1405,
 igr2=1393,1394,
 &end
#
#  113 TYR  HD           80 PHE  HB-         8.00    (#   2918:20  Unique         4.73, 7.51 A)
 &rst
  ixpk= 2918, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1904,1913,
 igr2=1393,1394,
 &end
#
#    0 AMB  20-2:2919    80 PHE  HB-         4.50    (#   2919:20  Single Ambig)
 &rst
  ixpk= 2919, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1391,1504,
 igr2=1393,1394,
 &end
#
#  117 GLU  HA           80 PHE  HB-         6.00    (#   2920:20  Unique         3.89, 4.83 A)
 &rst
  ixpk= 2920, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1393,1394,
 &end
#
#    0 AMB  20-2:2922    80 PHE  HB-         6.00    (#   2922:20  Single Ambig)
 &rst
  ixpk= 2922, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1962,1963,1921,1922,1923,1432,1433,
 igr2=1393,1394,
 &end
#
#    0 AMB  20-2:2923    80 PHE  HB-         6.00    (#   2923:20  Single Ambig)
 &rst
  ixpk= 2923, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1435, 778, 779, 780, 782, 783, 784,1413,1414,
 igr2=1393,1394,
 &end
#
#    0 AMB  20-2:2924    80 PHE  HB-         6.00    (#   2924:20  Single Ambig)
 &rst
  ixpk= 2924, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1393,1394,
 &end
#
#   82 LEU  HN           81 LEU  HB+         8.00    (#   2925:20  Unique         2.75, 4.08 A)
 &rst
  ixpk= 2925, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1413,1414,
 &end
#
#   82 LEU  HN           81 LEU  HB-         8.00    (#   2926:20  Unique         2.75, 4.08 A)
 &rst
  ixpk= 2926, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1413,1414,
 &end
#
#  113 TYR  HN           81 LEU  HB-         8.00    (#   2927:20  Unique         6.59, 7.71 A)
 &rst
  ixpk= 2927, nxpk= 20, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1413,1414,
 &end
#
#   81 LEU  HN           81 LEU  HB+         6.00    (#   2928:20  Unique         2.17, 2.87 A)
 &rst
  ixpk= 2928, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1413,1414,
 &end
#
#   79 PHE  HE           81 LEU  HB+         8.00    (#   2929:20  Unique         1.98, 5.35 A)
 &rst
  ixpk= 2929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1379,1383,
 igr2=1413,1414,
 &end
#
#   79 PHE  HE           81 LEU  HB-         6.00    (#   2930:20  Unique         1.98, 5.35 A)
 &rst
  ixpk= 2930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1379,1383,
 igr2=1413,1414,
 &end
#
#   81 LEU  HA           81 LEU  HB+         6.00    (#   2931:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 2931, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1413,1414,
 &end
#
#   81 LEU  HA           81 LEU  HB-         6.00    (#   2932:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 2932, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1413,1414,
 &end
#
#    0 AMB  20-2:2933     0 AMB  20-1:2933   8.00    (#   2933:20  Double Ambig)
 &rst
  ixpk= 2933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1391,1504,1038,
 igr2=1413,1414,1413,1414,1413,1414,
 &end
#
#    0 AMB  20-2:2936     0 AMB  20-1:2936   6.00    (#   2936:20  Double Ambig)
 &rst
  ixpk= 2936, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=1047,1048,1049,1867,1868,1867,1868,1102,
 igr2=1413,1414,1413,1414,1413,1414,1413,1414,
 &end
#
#   81 LEU  HG           81 LEU  HB+         4.50    (#   2938:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2938, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1413,1414,
 &end
#
#    0 AMB  20-2:2939    81 LEU  HB-         6.00    (#   2939:20  Single Ambig)
 &rst
  ixpk= 2939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1047,1048,1049,1867,1868,1867,1868,1102,
 igr2=1413,1414,
 &end
#
#   81 LEU  HG           81 LEU  HB-         4.50    (#   2943:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 2943, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1413,1414,
 &end
#
#   64 ILE  QD1          81 LEU  HB+         4.50    (#   2945:20  Unique         2.31, 4.50 A)
 &rst
  ixpk= 2945, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1111,1112,1113,
 igr2=1413,1414,
 &end
#
#   64 ILE  QD1          81 LEU  HB-         4.50    (#   2946:20  Unique         2.31, 4.50 A)
 &rst
  ixpk= 2946, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1111,1112,1113,
 igr2=1413,1414,
 &end
#
#    0 AMB  20-2:2947    81 LEU  HB-         2.80    (#   2947:20  Single Ambig)
 &rst
  ixpk= 2947, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 igr2=1413,1414,
 &end
#
#   82 LEU  HN           81 LEU  HA          6.00    (#   2948:20  Unique         2.13, 2.17 A)
 &rst
  ixpk= 2948, nxpk= 20, iat=1428,1411, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 LEU  HN           81 LEU  HG          6.00    (#   2950:20  Unique         4.29, 4.85 A)
 &rst
  ixpk= 2950, nxpk= 20, iat=1428,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 PHE  HE           81 LEU  HG          8.00    (#   2951:20  Unique         1.98, 4.12 A)
 &rst
  ixpk= 2951, nxpk= 20, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1379,1383,
 &end
#
#   81 LEU  HA           81 LEU  HG          6.00    (#   2952:20  Unique         2.36, 2.96 A)
 &rst
  ixpk= 2952, nxpk= 20, iat=1411,1416, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2953    81 LEU  HG          2.80    (#   2953:20  Single Ambig)
 &rst
  ixpk= 2953, nxpk= 20, iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 &end
#
#   82 LEU  HN           81 LEU  MDX         8.00    (#   2954:20  Unique         2.29, 4.97 A)
 &rst
  ixpk= 2954, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:2955    81 LEU  MDX         6.00    (#   2955:20  Single Ambig)
 &rst
  ixpk= 2955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1098,1158,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:2956    81 LEU  MDX         6.00    (#   2956:20  Single Ambig)
 &rst
  ixpk= 2956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1409,1896,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   79 PHE  HE           81 LEU  MDX         6.00    (#   2957:20  Unique         1.55, 5.23 A)
 &rst
  ixpk= 2957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1379,1383,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   79 PHE  HZ           81 LEU  MDX         6.00    (#   2958:20  Unique         1.67, 4.41 A)
 &rst
  ixpk= 2958, nxpk= 20, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#  113 TYR  HA           81 LEU  MDX         8.00    (#   2959:20  Unique         2.29, 5.06 A)
 &rst
  ixpk= 2959, nxpk= 20, iat=1898,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   64 ILE  HA           81 LEU  MDX         6.00    (#   2960:20  Unique         1.68, 4.51 A)
 &rst
  ixpk= 2960, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#  113 TYR  HB+          81 LEU  MDX         6.00    (#   2961:20  Unique         1.75, 5.69 A)
 &rst
  ixpk= 2961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1900,1901,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   52 PHE  HB-          81 LEU  MDX         6.00    (#   2962:20  Unique         4.74, 7.43 A)
 &rst
  ixpk= 2962, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 911, 912,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   63 LEU  HB+          81 LEU  MDX         6.00    (#   2963:20  Unique         2.81, 7.03 A)
 &rst
  ixpk= 2963, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1083,1084,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   81 LEU  HB+          81 LEU  MDX         3.50    (#   2964:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 2964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1413,1414,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   81 LEU  HG           81 LEU  MDX         2.80    (#   2965:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2965, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:2966    81 LEU  MDX         3.50    (#   2966:20  Single Ambig)
 &rst
  ixpk= 2966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1168,1169,1413,1414,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   82 LEU  HN           81 LEU  MDY         6.00    (#   2967:20  Unique         2.29, 4.97 A)
 &rst
  ixpk= 2967, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   81 LEU  HA           81 LEU  MDY         4.50    (#   2968:20  Unique         1.80, 3.69 A)
 &rst
  ixpk= 2968, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   81 LEU  HB+          81 LEU  MDY         2.80    (#   2969:20  Unique         2.32, 3.32 A)
 &rst
  ixpk= 2969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1413,1414,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   81 LEU  HG           81 LEU  MDY         2.80    (#   2970:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 2970, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#  111 MET  HN          111 MET  HA          6.00    (#   2972:20  Unique         2.96, 2.97 A)
 &rst
  ixpk= 2972, nxpk= 20, iat=1863,1865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:2973   111 MET  HA          8.00    (#   2973:20  Single Ambig)
 &rst
  ixpk= 2973, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1842,1428,
 &end
#
#  112 VAL  HN          111 MET  HA          2.80    (#   2974:20  Unique         2.13, 2.16 A)
 &rst
  ixpk= 2974, nxpk= 20, iat=1880,1865, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:2975   111 MET  HA          8.00    (#   2975:20  Single Ambig)
 &rst
  ixpk= 2975, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 609,1844,
 &end
#
#   83 VAL  HA          111 MET  HA          3.50    (#   2976:20  Unique         1.99, 2.67 A)
 &rst
  ixpk= 2976, nxpk= 20, iat=1449,1865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:2977   111 MET  HA          4.50    (#   2977:20  Single Ambig)
 &rst
  ixpk= 2977, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:2978   111 MET  HA          3.50    (#   2978:20  Single Ambig)
 &rst
  ixpk= 2978, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1867,1868,1867,1868,
 &end
#
#  111 MET  ME          111 MET  HA          6.00    (#   2979:20  Unique         4.89, 5.57 A)
 &rst
  ixpk= 2979, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1874,1875,1876,
 &end
#
#    0 AMB  20-2:2980   111 MET  HA          6.00    (#   2980:20  Single Ambig)
 &rst
  ixpk= 2980, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1827,1828,1432,1433,1830,
 &end
#
#    0 AMB  20-2:2981   111 MET  HA          4.50    (#   2981:20  Single Ambig)
 &rst
  ixpk= 2981, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1453,1454,1455,1457,1458,1459,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  20-2:2982   111 MET  HA          6.00    (#   2982:20  Single Ambig)
 &rst
  ixpk= 2982, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,1418,1419,1420,1422,1423,1424,1418,1419,
      1420,1422,1423,1424,
 &end
#
#   35 ILE  HG1+        111 MET  HA          8.00    (#   2983:20  Unique         5.31, 7.01 A)
 &rst
  ixpk= 2983, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 617, 618,
 &end
#
#   34 ILE  QG2         111 MET  HA          8.00    (#   2984:20  Unique         5.34, 7.55 A)
 &rst
  ixpk= 2984, nxpk= 20, iat=  -1,1865, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 594, 595, 596,
 &end
#
#   82 LEU  HN           82 LEU  HB+         6.00    (#   2985:20  Unique         2.22, 3.19 A)
 &rst
  ixpk= 2985, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#   82 LEU  HN           82 LEU  HB-         6.00    (#   2986:20  Unique         2.22, 3.19 A)
 &rst
  ixpk= 2986, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#    0 AMB  20-2:2987     0 AMB  20-1:2987   6.00    (#   2987:20  Double Ambig)
 &rst
  ixpk= 2987, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1477,1447,
 igr2=1432,1433,1432,1433,
 &end
#
#   86 HIS  HN           82 LEU  HB-         6.00    (#   2988:20  Unique         2.05, 2.97 A)
 &rst
  ixpk= 2988, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#   82 LEU  HA           82 LEU  HB+         6.00    (#   2989:20  Unique         2.20, 2.65 A)
 &rst
  ixpk= 2989, nxpk= 20, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#   85 GLY  HA-          82 LEU  HB-         8.00    (#   2990:20  Unique         2.57, 4.00 A)
 &rst
  ixpk= 2990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1479,1480,
 igr2=1432,1433,
 &end
#
#  112 VAL  HB           82 LEU  HB+         6.00    (#   2991:20  Unique         2.00, 4.49 A)
 &rst
  ixpk= 2991, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#  112 VAL  HB           82 LEU  HB-         6.00    (#   2992:20  Unique         2.00, 4.49 A)
 &rst
  ixpk= 2992, nxpk= 20, iat=1884,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#    0 AMB  20-2:2999    82 LEU  HB-         3.50    (#   2999:20  Single Ambig)
 &rst
  ixpk= 2999, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1432,1433,
 &end
#
#   82 LEU  HN           82 LEU  HG          6.00    (#   3000:20  Unique         1.83, 2.93 A)
 &rst
  ixpk= 3000, nxpk= 20, iat=1428,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3001    82 LEU  HG          6.00    (#   3001:20  Single Ambig)
 &rst
  ixpk= 3001, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1447,1477, 665,
 &end
#
#  113 TYR  HD           82 LEU  HG          6.00    (#   3004:20  Unique         4.16, 7.63 A)
 &rst
  ixpk= 3004, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1904,1913,
 &end
#
#   82 LEU  HA           82 LEU  HG          6.00    (#   3005:20  Unique         2.37, 2.99 A)
 &rst
  ixpk= 3005, nxpk= 20, iat=1430,1435, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3007    82 LEU  HG          8.00    (#   3007:20  Single Ambig)
 &rst
  ixpk= 3007, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:3008    82 LEU  HG          3.50    (#   3008:20  Single Ambig)
 &rst
  ixpk= 3008, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.84, r4= 5.34,
 igr1=1432,1433,1921,1922,1923,1962,1963,
 &end
#
#    0 AMB  20-2:3009    82 LEU  HG          2.80    (#   3009:20  Single Ambig)
 &rst
  ixpk= 3009, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1886,1887,1888,1890,1891,1892,1432,1433,
 &end
#
#    0 AMB  20-2:3010    82 LEU  HG          2.80    (#   3010:20  Single Ambig)
 &rst
  ixpk= 3010, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3011     0 AMB  20-1:3011   6.00    (#   3011:20  Double Ambig)
 &rst
  ixpk= 3011, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1447,1477, 665,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#  114 ALA  HN            0 AMB  20-1:3012   8.00    (#   3012:20  Single Ambig)
 &rst
  ixpk= 3012, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3013     0 AMB  20-1:3013   6.00    (#   3013:20  Double Ambig)
 &rst
  ixpk= 3013, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 673, 682,1970,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3016     0 AMB  20-1:3016   6.00    (#   3016:20  Double Ambig)
 &rst
  ixpk= 3016, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1393,1394,1393,1394,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   80 PHE  HB-           0 AMB  20-1:3017   6.00    (#   3017:20  Single Ambig)
 &rst
  ixpk= 3017, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1393,1394,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#  117 GLU  HG+          82 LEU  MDY         6.00    (#   3018:20  Unique         1.97, 6.56 A)
 &rst
  ixpk= 3018, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1962,1963,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#    0 AMB  20-2:3019     0 AMB  20-1:3019   2.80    (#   3019:20  Double Ambig)
 &rst
  ixpk= 3019, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.86, r4= 6.36,
 igr1=1921,1922,1923,1962,1963,1432,1433,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3020     0 AMB  20-1:3020   2.80    (#   3020:20  Double Ambig)
 &rst
  ixpk= 3020, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.99, r4= 6.49,
 igr1=1886,1887,1888,1890,1891,1892,1432,1433,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3022    83 VAL  HA          6.00    (#   3022:20  Single Ambig)
 &rst
  ixpk= 3022, nxpk= 20, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1447,1477,
 &end
#
#   93 THR  HN           93 THR  HA          6.00    (#   3023:20  Unique         2.87, 2.94 A)
 &rst
  ixpk= 3023, nxpk= 20, iat=1584,1586, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  111 MET  HA           83 VAL  HA          6.00    (#   3024:20  Unique         1.99, 2.67 A)
 &rst
  ixpk= 3024, nxpk= 20, iat=1865,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3025    93 THR  HA          6.00    (#   3025:20  Single Ambig)
 &rst
  ixpk= 3025, nxpk= 20, iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1599,1600,1588,
 &end
#
#    0 AMB  20-2:3026    83 VAL  HA          6.00    (#   3026:20  Single Ambig)
 &rst
  ixpk= 3026, nxpk= 20, iat=  -1,1449, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3027    93 THR  HA          6.00    (#   3027:20  Single Ambig)
 &rst
  ixpk= 3027, nxpk= 20, iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1602,1603,1605,1606,1646,1647,1646,1647,
 &end
#
#   83 VAL  HB           83 VAL  HA          6.00    (#   3028:20  Unique         2.38, 2.40 A)
 &rst
  ixpk= 3028, nxpk= 20, iat=1451,1449, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 THR  MG2          93 THR  HA          4.50    (#   3029:20  Unique         3.22, 3.76 A)
 &rst
  ixpk= 3029, nxpk= 20, iat=  -1,1586, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1590,1591,1592,
 &end
#
#   82 LEU  HA           83 VAL  HB          6.00    (#   3030:20  Unique         4.55, 4.73 A)
 &rst
  ixpk= 3030, nxpk= 20, iat=1430,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   83 VAL  HA           83 VAL  HB          6.00    (#   3031:20  Unique         2.38, 2.40 A)
 &rst
  ixpk= 3031, nxpk= 20, iat=1449,1451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3032    83 VAL  HB          6.00    (#   3032:20  Single Ambig)
 &rst
  ixpk= 3032, nxpk= 20, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1520,1521,1520,1521,
 &end
#
#    0 AMB  20-2:3033     0 AMB  20-1:3033   2.80    (#   3033:20  Double Ambig)
 &rst
  ixpk= 3033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 948, 628,
 igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
       813, 814,
 &end
#
#   83 VAL  HA            0 AMB  20-1:3034   2.80    (#   3034:20  Single Ambig)
 &rst
  ixpk= 3034, nxpk= 20, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  20-2:3035     0 AMB  20-1:3035   6.00    (#   3035:20  Double Ambig)
 &rst
  ixpk= 3035, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.87, r4=12.37,
 igr1=1614,1479,1480,1479,1480,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   98 VAL  HA            0 AMB  20-1:3036   6.00    (#   3036:20  Single Ambig)
 &rst
  ixpk= 3036, nxpk= 20, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  20-2:3037     0 AMB  20-1:3037   2.80    (#   3037:20  Double Ambig)
 &rst
  ixpk= 3037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.71, r4= 6.21,
 igr1=1047,1048,1049,1517,1518,1451,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   84 ASN  HN           84 ASN  HA          3.50    (#   3038:20  Unique         2.30, 2.30 A)
 &rst
  ixpk= 3038, nxpk= 20, iat=1463,1465, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  111 MET  HA           84 ASN  HA          6.00    (#   3040:20  Unique         3.18, 3.76 A)
 &rst
  ixpk= 3040, nxpk= 20, iat=1865,1465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 ASN  HB+          84 ASN  HA          4.50    (#   3041:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 3041, nxpk= 20, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1467,1468,
 &end
#
#   84 ASN  HB-          84 ASN  HA          4.50    (#   3042:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 3042, nxpk= 20, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1467,1468,
 &end
#
#    0 AMB  20-2:3043    84 ASN  HA          6.00    (#   3043:20  Single Ambig)
 &rst
  ixpk= 3043, nxpk= 20, iat=  -1,1465, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1867,1868,1867,1868,
 &end
#
#   84 ASN  HN           84 ASN  HB+         6.00    (#   3044:20  Unique         3.10, 3.53 A)
 &rst
  ixpk= 3044, nxpk= 20, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1467,1468,
 &end
#
#   84 ASN  HN           84 ASN  HB-         6.00    (#   3045:20  Unique         3.10, 3.53 A)
 &rst
  ixpk= 3045, nxpk= 20, iat=1463,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1467,1468,
 &end
#
#  112 VAL  HN           84 ASN  HB+         8.00    (#   3046:20  Unique         5.06, 5.58 A)
 &rst
  ixpk= 3046, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1467,1468,
 &end
#
#    0 AMB  20-2:3047    84 ASN  HB-         8.00    (#   3047:20  Single Ambig)
 &rst
  ixpk= 3047, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1477,1447,
 igr2=1467,1468,
 &end
#
#   84 ASN  HD2+         84 ASN  HB+         4.50    (#   3048:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 3048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#   84 ASN  HD2+         84 ASN  HB-         4.50    (#   3049:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 3049, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#   84 ASN  HD2-         84 ASN  HB-         6.00    (#   3052:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 3052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#   84 ASN  HD2-         84 ASN  HB+         6.00    (#   3053:20  Unique         2.15, 3.28 A)
 &rst
  ixpk= 3053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1472,1473,
 igr2=1467,1468,
 &end
#
#  102 GLU  HA           84 ASN  HB+         6.00    (#   3054:20  Unique         4.78, 6.00 A)
 &rst
  ixpk= 3054, nxpk= 20, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1467,1468,
 &end
#
#  102 GLU  HA           84 ASN  HB-         6.00    (#   3055:20  Unique         4.78, 6.00 A)
 &rst
  ixpk= 3055, nxpk= 20, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1467,1468,
 &end
#
#   84 ASN  HA           84 ASN  HB-         4.50    (#   3056:20  Unique         2.50, 2.80 A)
 &rst
  ixpk= 3056, nxpk= 20, iat=1465,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1467,1468,
 &end
#
#   85 GLY  HA-          84 ASN  HB+         6.00    (#   3059:20  Unique         4.46, 5.54 A)
 &rst
  ixpk= 3059, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1479,1480,
 igr2=1467,1468,
 &end
#
#  102 GLU  HB+          84 ASN  HB+         6.00    (#   3060:20  Unique         2.91, 4.96 A)
 &rst
  ixpk= 3060, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1724,1725,
 igr2=1467,1468,
 &end
#
#    0 AMB  20-2:3061    84 ASN  HB-         6.00    (#   3061:20  Single Ambig)
 &rst
  ixpk= 3061, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1727,1728,1724,1725,
 igr2=1467,1468,
 &end
#
#  102 GLU  HB-          84 ASN  HB-         8.00    (#   3062:20  Unique         2.91, 4.96 A)
 &rst
  ixpk= 3062, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1724,1725,
 igr2=1467,1468,
 &end
#
#    0 AMB  20-2:3063     0 AMB  20-1:3063   6.00    (#   3063:20  Double Ambig)
 &rst
  ixpk= 3063, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1467,1468,1467,1468,1467,1468,
 &end
#
#    0 AMB  20-2:3071     0 AMB  20-1:3071   6.00    (#   3071:20  Double Ambig)
 &rst
  ixpk= 3071, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1886,1887,1888,1890,1891,1892,1432,1433,
 igr2=1479,1480,1479,1480,
 &end
#
#    0 AMB  20-2:3072     0 AMB  20-1:3072   6.00    (#   3072:20  Double Ambig)
 &rst
  ixpk= 3072, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1479,1480,1479,1480,
 &end
#
#    0 AMB  20-2:3073    85 GLY  HA-         6.00    (#   3073:20  Single Ambig)
 &rst
  ixpk= 3073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,1432,1433,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:3074    85 GLY  HA-         6.00    (#   3074:20  Single Ambig)
 &rst
  ixpk= 3074, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1479,1480,
 &end
#
#    0 AMB  20-2:3075     0 AMB  20-1:3075   6.00    (#   3075:20  Double Ambig)
 &rst
  ixpk= 3075, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1484,1796,
 igr2=1486,1759,
 &end
#
#   86 HIS  HB+          86 HIS  HA          4.50    (#   3077:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 3077, nxpk= 20, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1488,1489,
 &end
#
#    0 AMB  20-2:3078     0 AMB  20-1:3078   4.50    (#   3078:20  Double Ambig)
 &rst
  ixpk= 3078, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1761,1762,1488,1489,
 igr2=1759,1486,
 &end
#
#    0 AMB  20-2:3079    86 HIS  HA          6.00    (#   3079:20  Single Ambig)
 &rst
  ixpk= 3079, nxpk= 20, iat=  -1,1486, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   87 SER  HN           86 HIS  HB+         6.00    (#   3080:20  Unique         3.24, 4.03 A)
 &rst
  ixpk= 3080, nxpk= 20, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   87 SER  HN           86 HIS  HB-         6.00    (#   3081:20  Unique         3.24, 4.03 A)
 &rst
  ixpk= 3081, nxpk= 20, iat=1502,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   86 HIS  HN           86 HIS  HB+         6.00    (#   3083:20  Unique         2.64, 3.35 A)
 &rst
  ixpk= 3083, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   86 HIS  HN           86 HIS  HB-         6.00    (#   3084:20  Unique         2.64, 3.35 A)
 &rst
  ixpk= 3084, nxpk= 20, iat=1484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   86 HIS  HD2          86 HIS  HB+         6.00    (#   3085:20  Unique         2.96, 3.52 A)
 &rst
  ixpk= 3085, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   86 HIS  HD2          86 HIS  HB-         6.00    (#   3086:20  Unique         2.96, 3.52 A)
 &rst
  ixpk= 3086, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1488,1489,
 &end
#
#   86 HIS  HA           86 HIS  HB-         3.50    (#   3087:20  Unique         2.37, 2.74 A)
 &rst
  ixpk= 3087, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1488,1489,
 &end
#
#    0 AMB  20-2:3088     0 AMB  20-1:3088   8.00    (#   3088:20  Double Ambig)
 &rst
  ixpk= 3088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1506,1507,1506,1507,
 igr2=1488,1489,1488,1489,
 &end
#
#    0 AMB  20-2:3091     0 AMB  20-1:3091   6.00    (#   3091:20  Double Ambig)
 &rst
  ixpk= 3091, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1524,1525,1526,1517,1518,
 igr2=1488,1489,1488,1489,
 &end
#
#    0 AMB  20-2:3092    86 HIS  HB-         6.00    (#   3092:20  Single Ambig)
 &rst
  ixpk= 3092, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1524,1525,1526,1517,1518,
 igr2=1488,1489,
 &end
#
#    0 AMB  20-2:3093    86 HIS  HB-         8.00    (#   3093:20  Single Ambig)
 &rst
  ixpk= 3093, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1517,1518,1451,
 igr2=1488,1489,
 &end
#
#    0 AMB  20-2:3094     0 AMB  20-1:3094   8.00    (#   3094:20  Double Ambig)
 &rst
  ixpk= 3094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1517,1518,1451,
 igr2=1488,1489,1488,1489,
 &end
#
#   83 VAL  MGY          86 HIS  HB+         8.00    (#   3095:20  Unique         2.12, 5.00 A)
 &rst
  ixpk= 3095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1453,1454,1455,1457,1458,1459,
 igr2=1488,1489,
 &end
#
#   82 LEU  HB-          86 HIS  HB-         8.00    (#   3096:20  Unique         4.56, 5.79 A)
 &rst
  ixpk= 3096, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1432,1433,
 igr2=1488,1489,
 &end
#
#    0 AMB  20-2:3097     0 AMB  20-1:3097   8.00    (#   3097:20  Double Ambig)
 &rst
  ixpk= 3097, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.25, r4=15.75,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1488,1489,1488,1489,
 &end
#
#    0 AMB  20-2:3100    88 MET  HB-         8.00    (#   3100:20  Single Ambig)
 &rst
  ixpk= 3100, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1530,1409,
 igr2=1517,1518,
 &end
#
#   88 MET  HA           88 MET  HB+         6.00    (#   3101:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3101, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1517,1518,
 &end
#
#   88 MET  HA           88 MET  HB-         6.00    (#   3102:20  Unique         2.27, 2.74 A)
 &rst
  ixpk= 3102, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1517,1518,
 &end
#
#    0 AMB  20-2:3103     0 AMB  20-1:3103   3.50    (#   3103:20  Double Ambig)
 &rst
  ixpk= 3103, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1520,1521,1520,1521,
 igr2=1517,1518,1517,1518,
 &end
#
#    0 AMB  20-2:3104     0 AMB  20-1:3104   3.50    (#   3104:20  Double Ambig)
 &rst
  ixpk= 3104, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1520,1521,1520,1521,1988,1989,
 igr2=1517,1518,1945,1946,
 &end
#
#    0 AMB  20-2:3107     0 AMB  20-1:3107   4.50    (#   3107:20  Double Ambig)
 &rst
  ixpk= 3107, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 igr2=1517,1518,1517,1518,
 &end
#
#    0 AMB  20-2:3108    88 MET  HB-         3.50    (#   3108:20  Single Ambig)
 &rst
  ixpk= 3108, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.17, r4= 6.67,
 igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,1453,
      1454,1455,1457,1458,1459,
 igr2=1517,1518,
 &end
#
#   83 VAL  HN            0 AMB  20-1:3110   6.00    (#   3110:20  Single Ambig)
 &rst
  ixpk= 3110, nxpk= 20, iat=1447,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1520,1521,1520,1521,
 &end
#
#   90 SER  HN           89 VAL  HA          4.50    (#   3111:20  Unique         3.38, 3.46 A)
 &rst
  ixpk= 3111, nxpk= 20, iat=1546,1532, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 VAL  HN           89 VAL  HA          6.00    (#   3112:20  Unique         2.77, 2.79 A)
 &rst
  ixpk= 3112, nxpk= 20, iat=1530,1532, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 VAL  HB           89 VAL  HA          3.50    (#   3113:20  Unique         2.43, 2.84 A)
 &rst
  ixpk= 3113, nxpk= 20, iat=1534,1532, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   90 SER  HN           89 VAL  HB          6.00    (#   3114:20  Unique         2.53, 3.25 A)
 &rst
  ixpk= 3114, nxpk= 20, iat=1546,1534, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 MET  HA           89 VAL  HB          8.00    (#   3115:20  Unique         4.58, 5.29 A)
 &rst
  ixpk= 3115, nxpk= 20, iat=1515,1534, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   88 MET  HA            0 AMB  20-1:3117   6.00    (#   3117:20  Single Ambig)
 &rst
  ixpk= 3117, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   90 SER  HA            0 AMB  20-1:3118   6.00    (#   3118:20  Single Ambig)
 &rst
  ixpk= 3118, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:3119     0 AMB  20-1:3119   4.50    (#   3119:20  Double Ambig)
 &rst
  ixpk= 3119, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.63, r4=10.13,
 igr1=1506,1507,1506,1507,1506,1507,1550,1551,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#    0 AMB  20-2:3120     0 AMB  20-1:3120   3.50    (#   3120:20  Double Ambig)
 &rst
  ixpk= 3120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=1393,1394,1393,1394,
 igr2=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   90 SER  HN           90 SER  HA          6.00    (#   3122:20  Unique         2.91, 2.96 A)
 &rst
  ixpk= 3122, nxpk= 20, iat=1546,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 VAL  HN           90 SER  HA          6.00    (#   3123:20  Unique         2.13, 2.28 A)
 &rst
  ixpk= 3123, nxpk= 20, iat=1557,1548, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3124     0 AMB  20-1:3124   6.00    (#   3124:20  Double Ambig)
 &rst
  ixpk= 3124, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,1536,1537,1538,1540,1541,1542,1536,1537,
      1538,1540,1541,1542,
 igr2=1575,1548,
 &end
#
#   93 THR  HN            0 AMB  20-1:3127   6.00    (#   3127:20  Single Ambig)
 &rst
  ixpk= 3127, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:3130     0 AMB  20-1:3130   6.00    (#   3130:20  Double Ambig)
 &rst
  ixpk= 3130, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1068,1069,1121,1122,
 igr2=1008,1057,1058,1057,1058,1057,1058,
 &end
#
#    0 AMB  20-2:3132    91 VAL  MGX         6.00    (#   3132:20  Single Ambig)
 &rst
  ixpk= 3132, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1053,1546,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   93 THR  HN           91 VAL  MGX         6.00    (#   3133:20  Unique         1.42, 3.46 A)
 &rst
  ixpk= 3133, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:3134    91 VAL  MGX         8.00    (#   3134:20  Single Ambig)
 &rst
  ixpk= 3134, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1586,1038,1608,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   91 VAL  HA           91 VAL  MGX         4.50    (#   3135:20  Unique         2.37, 3.45 A)
 &rst
  ixpk= 3135, nxpk= 20, iat=1559,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#    0 AMB  20-2:3136    91 VAL  MGX         4.50    (#   3136:20  Single Ambig)
 &rst
  ixpk= 3136, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1057,1058,1057,1058,1577,1578,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   60 MET  HG+          91 VAL  MGX         8.00    (#   3137:20  Unique         1.99, 4.31 A)
 &rst
  ixpk= 3137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1043,1044,
 igr2=1563,1564,1565,1567,1568,1569,
 &end
#
#   93 THR  HA           93 THR  HB          6.00    (#   3139:20  Unique         2.55, 2.73 A)
 &rst
  ixpk= 3139, nxpk= 20, iat=1586,1588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   91 VAL  HA           93 THR  HB          8.00    (#   3140:20  Unique         4.95, 5.36 A)
 &rst
  ixpk= 3140, nxpk= 20, iat=1559,1588, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   94 PRO  HD+          93 THR  HB          6.00    (#   3141:20  Unique         3.71, 4.24 A)
 &rst
  ixpk= 3141, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1599,1600,
 &end
#
#    0 AMB  20-2:3142    93 THR  HB          6.00    (#   3142:20  Single Ambig)
 &rst
  ixpk= 3142, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:3143    93 THR  HB          6.00    (#   3143:20  Single Ambig)
 &rst
  ixpk= 3143, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1646,1647,1646,1647,1524,1525,1526,1602,1603,
 &end
#
#    0 AMB  20-2:3144    93 THR  HB          8.00    (#   3144:20  Single Ambig)
 &rst
  ixpk= 3144, nxpk= 20, iat=  -1,1588, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1649,1650,1561,1040,1041,
 &end
#
#   93 THR  HA           93 THR  MG2         3.50    (#   3147:20  Unique         3.22, 3.76 A)
 &rst
  ixpk= 3147, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3148    93 THR  MG2         6.00    (#   3148:20  Single Ambig)
 &rst
  ixpk= 3148, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1559,1644,
 igr2=1590,1591,1592,
 &end
#
#   94 PRO  HD+          93 THR  MG2         4.50    (#   3149:20  Unique         2.25, 4.24 A)
 &rst
  ixpk= 3149, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1599,1600,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3150    93 THR  MG2         2.80    (#   3150:20  Single Ambig)
 &rst
  ixpk= 3150, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=1599,1600,1588,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3151    93 THR  MG2         6.00    (#   3151:20  Single Ambig)
 &rst
  ixpk= 3151, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1043,1044,1043,1044,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3152    93 THR  MG2         8.00    (#   3152:20  Single Ambig)
 &rst
  ixpk= 3152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1520,1521,1520,1521,1026,1027,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3153    93 THR  MG2         4.50    (#   3153:20  Single Ambig)
 &rst
  ixpk= 3153, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1649,1650,1561,1040,1041,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3154    93 THR  MG2         2.80    (#   3154:20  Single Ambig)
 &rst
  ixpk= 3154, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1646,1647,1646,1647,1602,1603,1524,1525,1526,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  20-2:3156    93 THR  MG2         2.80    (#   3156:20  Single Ambig)
 &rst
  ixpk= 3156, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1563,1564,1565,1567,1568,1569,1663,1664,1665,1667,
      1668,1669,
 igr2=1590,1591,1592,
 &end
#
#   59 ASN  HB+          94 PRO  HA          6.00    (#   3157:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 3157, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1026,1027,
 &end
#
#   59 ASN  HB-          94 PRO  HA          6.00    (#   3158:20  Unique         1.99, 3.45 A)
 &rst
  ixpk= 3158, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1026,1027,
 &end
#
#   94 PRO  HB-          94 PRO  HA          4.50    (#   3159:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 3159, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1605,1606,
 &end
#
#   95 ILE  HB           94 PRO  HA          6.00    (#   3160:20  Unique         4.34, 4.43 A)
 &rst
  ixpk= 3160, nxpk= 20, iat=1616,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   93 THR  MG2          94 PRO  HA          8.00    (#   3161:20  Unique         3.99, 4.94 A)
 &rst
  ixpk= 3161, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1590,1591,1592,
 &end
#
#   95 ILE  QG2          94 PRO  HA          6.00    (#   3162:20  Unique         4.36, 5.57 A)
 &rst
  ixpk= 3162, nxpk= 20, iat=  -1,1608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1618,1619,1620,
 &end
#
#   95 ILE  HN           94 PRO  HB+         6.00    (#   3163:20  Unique         2.23, 3.27 A)
 &rst
  ixpk= 3163, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#   95 ILE  HN           94 PRO  HB-         6.00    (#   3164:20  Unique         2.23, 3.27 A)
 &rst
  ixpk= 3164, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#   96 SER  HN           94 PRO  HB+         6.00    (#   3165:20  Unique         2.09, 3.10 A)
 &rst
  ixpk= 3165, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#    0 AMB  20-2:3166     0 AMB  20-1:3166   6.00    (#   3166:20  Double Ambig)
 &rst
  ixpk= 3166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1631,  61,
 igr2=1605,1606, 806,
 &end
#
#    0 AMB  20-2:3167    46 VAL  HB          6.00    (#   3167:20  Single Ambig)
 &rst
  ixpk= 3167, nxpk= 20, iat=  -1, 806, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 818, 871,
 &end
#
#   97 GLU  HN           94 PRO  HB+         6.00    (#   3168:20  Unique         3.34, 4.41 A)
 &rst
  ixpk= 3168, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#   97 GLU  HN           94 PRO  HB-         6.00    (#   3169:20  Unique         3.34, 4.41 A)
 &rst
  ixpk= 3169, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1605,1606,
 &end
#
#   94 PRO  HA           94 PRO  HB+         3.50    (#   3171:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 3171, nxpk= 20, iat=1608,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1605,1606,
 &end
#
#    0 AMB  20-2:3172     0 AMB  20-1:3172   4.50    (#   3172:20  Double Ambig)
 &rst
  ixpk= 3172, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1608,  85,
 igr2=1605,1606, 806,
 &end
#
#   94 PRO  HD-          94 PRO  HB+         6.00    (#   3173:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3173, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1599,1600,
 igr2=1605,1606,
 &end
#
#   94 PRO  HD-          94 PRO  HB-         6.00    (#   3174:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 3174, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1599,1600,
 igr2=1605,1606,
 &end
#
#    0 AMB  20-2:3176     0 AMB  20-1:3176   8.00    (#   3176:20  Double Ambig)
 &rst
  ixpk= 3176, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=2236,1631,
 igr2= 966, 967,1602,1603,
 &end
#
#   97 GLU  HN           94 PRO  HG+         6.00    (#   3177:20  Unique         2.59, 3.68 A)
 &rst
  ixpk= 3177, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1602,1603,
 &end
#
#    0 AMB  20-2:3179     0 AMB  20-1:3179   4.50    (#   3179:20  Double Ambig)
 &rst
  ixpk= 3179, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 972,1608,1586,
 igr2= 966, 967,1602,1603,1602,1603,
 &end
#
#    0 AMB  20-2:3180     0 AMB  20-1:3180   4.50    (#   3180:20  Double Ambig)
 &rst
  ixpk= 3180, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 972,1608,1586,
 igr2= 966, 967,1602,1603,
 &end
#
#    0 AMB  20-2:3181    94 PRO  HD-         8.00    (#   3181:20  Single Ambig)
 &rst
  ixpk= 3181, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1584,1657,
 igr2=1599,1600,
 &end
#
#   93 THR  HA           94 PRO  HD-         2.80    (#   3185:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 3185, nxpk= 20, iat=1586,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1599,1600,
 &end
#
#    0 AMB  20-2:3187     0 AMB  20-1:3187   6.00    (#   3187:20  Double Ambig)
 &rst
  ixpk= 3187, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=2238,2224,
 igr2= 963, 964, 963, 964,
 &end
#
#   99 TYR  HN           95 ILE  HA          6.00    (#   3194:20  Unique         4.11, 4.27 A)
 &rst
  ixpk= 3194, nxpk= 20, iat=1673,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 SER  HN           95 ILE  HA          8.00    (#   3195:20  Unique         3.31, 3.42 A)
 &rst
  ixpk= 3195, nxpk= 20, iat=1631,1614, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:3196     0 AMB  20-1:3196   6.00    (#   3196:20  Double Ambig)
 &rst
  ixpk= 3196, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 180,1694, 139,
 igr2= 895, 896,1622,1623, 895, 896,
 &end
#
#   99 TYR  HN           95 ILE  HG1-        8.00    (#   3197:20  Unique         3.45, 4.35 A)
 &rst
  ixpk= 3197, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1622,1623,
 &end
#
#   95 ILE  HN           95 ILE  HG1+        8.00    (#   3198:20  Unique         3.93, 4.41 A)
 &rst
  ixpk= 3198, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1622,1623,
 &end
#
#   95 ILE  HN           95 ILE  QD1         6.00    (#   3200:20  Unique         4.47, 5.35 A)
 &rst
  ixpk= 3200, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1625,1626,1627,
 &end
#
#   31 ILE  HN           95 ILE  QD1         8.00    (#   3201:20  Unique         4.89, 6.63 A)
 &rst
  ixpk= 3201, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:3202    95 ILE  QD1         8.00    (#   3202:20  Single Ambig)
 &rst
  ixpk= 3202, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 946,1022,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:3203    95 ILE  QD1         8.00    (#   3203:20  Single Ambig)
 &rst
  ixpk= 3203, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1631,1079,
 igr2=1625,1626,1627,
 &end
#
#   98 VAL  HN           95 ILE  QD1         8.00    (#   3204:20  Unique         3.82, 6.91 A)
 &rst
  ixpk= 3204, nxpk= 20, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1625,1626,1627,
 &end
#
#   60 MET  HA           95 ILE  QD1         6.00    (#   3206:20  Unique         3.68, 5.73 A)
 &rst
  ixpk= 3206, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:3208     0 AMB  20-1:3208   8.00    (#   3208:20  Double Ambig)
 &rst
  ixpk= 3208, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1043,1044,1043,1044,2101,2102,
 igr2=1625,1626,1627, 409, 410, 411,
 &end
#
#    0 AMB  20-2:3210    95 ILE  QD1         6.00    (#   3210:20  Single Ambig)
 &rst
  ixpk= 3210, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1830,1827,1828,
 igr2=1625,1626,1627,
 &end
#
#   95 ILE  HG1+         95 ILE  QD1         2.80    (#   3211:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 3211, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1622,1623,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:3212    95 ILE  QD1         2.80    (#   3212:20  Single Ambig)
 &rst
  ixpk= 3212, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1= 578, 579, 580, 582, 583, 584,1618,1619,1620,
 igr2=1625,1626,1627,
 &end
#
#    0 AMB  20-2:3219    95 ILE  QG2         6.00    (#   3219:20  Single Ambig)
 &rst
  ixpk= 3219, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1608,1038, 972,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:3220    95 ILE  QG2         6.00    (#   3220:20  Single Ambig)
 &rst
  ixpk= 3220, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 980, 981,1043,1044,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:3221    95 ILE  QG2         6.00    (#   3221:20  Single Ambig)
 &rst
  ixpk= 3221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1605,1606,1083,1084,1602,1603,
 igr2=1618,1619,1620,
 &end
#
#   58 VAL  HB           95 ILE  QG2         4.50    (#   3222:20  Unique         4.04, 5.38 A)
 &rst
  ixpk= 3222, nxpk= 20, iat=1010,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1618,1619,1620,
 &end
#
#   54 VAL  HB           95 ILE  QG2         2.80    (#   3223:20  Unique         2.56, 3.98 A)
 &rst
  ixpk= 3223, nxpk= 20, iat= 950,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:3224    95 ILE  QG2         2.80    (#   3224:20  Single Ambig)
 &rst
  ixpk= 3224, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 543,1616,
 igr2=1618,1619,1620,
 &end
#
#   95 ILE  HG1-         95 ILE  QG2         2.80    (#   3225:20  Unique         2.47, 3.49 A)
 &rst
  ixpk= 3225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1622,1623,
 igr2=1618,1619,1620,
 &end
#
#   95 ILE  HG1+         95 ILE  QG2         3.50    (#   3226:20  Unique         2.47, 3.49 A)
 &rst
  ixpk= 3226, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1622,1623,
 igr2=1618,1619,1620,
 &end
#
#    0 AMB  20-2:3227    95 ILE  QG2         3.50    (#   3227:20  Single Ambig)
 &rst
  ixpk= 3227, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.06, r4= 6.56,
 igr1=1625,1626,1627,1012,1013,1014,1016,1017,1018,
 igr2=1618,1619,1620,
 &end
#
#   97 GLU  HN            0 AMB  20-1:3229   6.00    (#   3229:20  Single Ambig)
 &rst
  ixpk= 3229, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1635,1636,1635,1636,
 &end
#
#   56 ASP  HB-           0 AMB  20-1:3234   6.00    (#   3234:20  Single Ambig)
 &rst
  ixpk= 3234, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 980, 981,
 igr2=1635,1636,1635,1636,1633,
 &end
#
#    0 AMB  20-2:3237    97 GLU  HA          3.50    (#   3237:20  Single Ambig)
 &rst
  ixpk= 3237, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1642,1694,
 &end
#
#    0 AMB  20-2:3238    97 GLU  HA          6.00    (#   3238:20  Single Ambig)
 &rst
  ixpk= 3238, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1701,1702,1701,1702,
 &end
#
#   97 GLU  HG-          97 GLU  HA          3.50    (#   3239:20  Unique         2.43, 3.12 A)
 &rst
  ixpk= 3239, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1649,1650,
 &end
#
#    0 AMB  20-2:3240    97 GLU  HA          2.80    (#   3240:20  Single Ambig)
 &rst
  ixpk= 3240, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1698,1699,1698,1699,1646,1647,1646,1647,
 &end
#
#   93 THR  MG2          97 GLU  HA          6.00    (#   3241:20  Unique         5.20, 6.51 A)
 &rst
  ixpk= 3241, nxpk= 20, iat=  -1,1644, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1590,1591,1592,
 &end
#
#   63 LEU  HN           62 GLU  HG-         6.00    (#   3244:20  Unique         2.62, 3.73 A)
 &rst
  ixpk= 3244, nxpk= 20, iat=1079,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1071,1072,
 &end
#
#    0 AMB  20-2:3245    97 GLU  HG-         6.00    (#   3245:20  Single Ambig)
 &rst
  ixpk= 3245, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1657,1709,
 igr2=1649,1650,
 &end
#
#    0 AMB  20-2:3247    97 GLU  HG-         6.00    (#   3247:20  Single Ambig)
 &rst
  ixpk= 3247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1659,1599,1600,1588,
 igr2=1649,1650,
 &end
#
#    0 AMB  20-2:3248    97 GLU  HG-         2.80    (#   3248:20  Single Ambig)
 &rst
  ixpk= 3248, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1646,1647,1698,1699,1698,1699,
 igr2=1649,1650,
 &end
#
#   65 LYS  HG+          62 GLU  HG-         6.00    (#   3249:20  Unique         2.92, 7.36 A)
 &rst
  ixpk= 3249, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1124,1125,
 igr2=1071,1072,
 &end
#
#   99 TYR  HN           98 VAL  HA          6.00    (#   3251:20  Unique         3.48, 3.53 A)
 &rst
  ixpk= 3251, nxpk= 20, iat=1673,1659, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLU  HN           98 VAL  HA          8.00    (#   3252:20  Unique         3.18, 3.95 A)
 &rst
  ixpk= 3252, nxpk= 20, iat=1720,1659, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:3253    98 VAL  HA          4.50    (#   3253:20  Single Ambig)
 &rst
  ixpk= 3253, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1657,1709,
 &end
#
#    0 AMB  20-2:3254    98 VAL  HA          6.00    (#   3254:20  Single Ambig)
 &rst
  ixpk= 3254, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1727,1728,1649,1650,
 &end
#
#   93 THR  MG2          98 VAL  HA          6.00    (#   3255:20  Unique         4.88, 6.02 A)
 &rst
  ixpk= 3255, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1590,1591,1592,
 &end
#
#   95 ILE  HG1+         98 VAL  HA          8.00    (#   3256:20  Unique         5.49, 6.02 A)
 &rst
  ixpk= 3256, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1622,1623,
 &end
#
#   98 VAL  HN           98 VAL  HB          4.50    (#   3259:20  Unique         2.50, 2.59 A)
 &rst
  ixpk= 3259, nxpk= 20, iat=1657,1661, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:3260    98 VAL  HB          6.00    (#   3260:20  Single Ambig)
 &rst
  ixpk= 3260, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1694,1642,
 &end
#
#    0 AMB  20-2:3261    98 VAL  HB          2.80    (#   3261:20  Single Ambig)
 &rst
  ixpk= 3261, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1614,1675,
 &end
#
#   95 ILE  HG1-         98 VAL  HB          6.00    (#   3262:20  Unique         2.56, 3.09 A)
 &rst
  ixpk= 3262, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1622,1623,
 &end
#
#   95 ILE  HG1+         98 VAL  HB          6.00    (#   3263:20  Unique         2.56, 3.09 A)
 &rst
  ixpk= 3263, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1622,1623,
 &end
#
#    0 AMB  20-2:3264     0 AMB  20-1:3264   2.80    (#   3264:20  Double Ambig)
 &rst
  ixpk= 3264, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,1663,1664,1665,1667,1668,1669,
 igr2=1534,1661,
 &end
#
#  109 LEU  MDX          98 VAL  HB          6.00    (#   3265:20  Unique         2.24, 4.57 A)
 &rst
  ixpk= 3265, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#   95 ILE  QD1          98 VAL  HB          6.00    (#   3266:20  Unique         2.07, 5.04 A)
 &rst
  ixpk= 3266, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1625,1626,1627,
 &end
#
#   99 TYR  HN           99 TYR  HA          4.50    (#   3268:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 3268, nxpk= 20, iat=1673,1675, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  100 GLU  HN           99 TYR  HA          6.00    (#   3270:20  Unique         3.40, 3.49 A)
 &rst
  ixpk= 3270, nxpk= 20, iat=1694,1675, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HD           99 TYR  HA          4.50    (#   3271:20  Unique         2.22, 3.60 A)
 &rst
  ixpk= 3271, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1681,1690,
 &end
#
#    0 AMB  20-2:3273    99 TYR  HA          6.00    (#   3273:20  Single Ambig)
 &rst
  ixpk= 3273, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1830,1827,1828,
 &end
#
#    0 AMB  20-2:3274     0 AMB  20-1:3274   8.00    (#   3274:20  Double Ambig)
 &rst
  ixpk= 3274, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr1=1745,1746, 648, 649, 877, 878, 879,
 igr2=1675, 804,
 &end
#
#    0 AMB  20-2:3275     0 AMB  20-1:3275   3.50    (#   3275:20  Double Ambig)
 &rst
  ixpk= 3275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1832,1833,1834,1836,1837,1838, 827, 828, 829, 831,
       832, 833, 827, 828, 829, 831, 832, 833,
 igr2=1675, 804,
 &end
#
#   31 ILE  QG2          99 TYR  HA          6.00    (#   3276:20  Unique         3.75, 4.94 A)
 &rst
  ixpk= 3276, nxpk= 20, iat=  -1,1675, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 545, 546, 547,
 &end
#
#  100 GLU  HN           99 TYR  HB+         6.00    (#   3277:20  Unique         2.63, 3.51 A)
 &rst
  ixpk= 3277, nxpk= 20, iat=1694,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1677,1678,
 &end
#
#  100 GLU  HN           99 TYR  HB-         3.50    (#   3278:20  Unique         2.63, 3.51 A)
 &rst
  ixpk= 3278, nxpk= 20, iat=1694,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1677,1678,
 &end
#
#   99 TYR  HD           99 TYR  HB+         4.50    (#   3279:20  Unique         2.32, 3.06 A)
 &rst
  ixpk= 3279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1681,1690,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:3280     0 AMB  20-1:3280   4.50    (#   3280:20  Double Ambig)
 &rst
  ixpk= 3280, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1675,1633,
 igr2=1677,1678,1677,1678,
 &end
#
#    0 AMB  20-2:3281    99 TYR  HB-         3.50    (#   3281:20  Single Ambig)
 &rst
  ixpk= 3281, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1675,1633,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:3284     0 AMB  20-1:3284   8.00    (#   3284:20  Double Ambig)
 &rst
  ixpk= 3284, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
 igr1=1698,1699,1698,1699,1661,
 igr2=1677,1678,1677,1678,1677,1678,
 &end
#
#    0 AMB  20-2:3285    99 TYR  HB-         8.00    (#   3285:20  Single Ambig)
 &rst
  ixpk= 3285, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
 igr1=1698,1699,1698,1699,1661,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:3286     0 AMB  20-1:3286   8.00    (#   3286:20  Double Ambig)
 &rst
  ixpk= 3286, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1827,1828,1830,
 igr2=1677,1678,1677,1678,
 &end
#
#    0 AMB  20-2:3287     0 AMB  20-1:3287   6.00    (#   3287:20  Double Ambig)
 &rst
  ixpk= 3287, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1832,1833,1834,1836,1837,1838,1618,1619,1620,
 igr2=1677,1678,1677,1678,
 &end
#
#  109 LEU  MDX          99 TYR  HB+         6.00    (#   3288:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 3288, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1677,1678,
 &end
#
#  109 LEU  MDY          99 TYR  HB-         6.00    (#   3289:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 3289, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1677,1678,
 &end
#
#  109 LEU  MDX          99 TYR  HB-         6.00    (#   3290:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 3290, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1677,1678,
 &end
#
#  101 SER  HN          101 SER  HA          6.00    (#   3291:20  Unique         2.95, 2.96 A)
 &rst
  ixpk= 3291, nxpk= 20, iat=1709,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3292   101 SER  HA          6.00    (#   3292:20  Single Ambig)
 &rst
  ixpk= 3292, nxpk= 20, iat=  -1,1711, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1713,1714,1713,1714,
 &end
#
#  102 GLU  HN            0 AMB  20-1:3293   4.50    (#   3293:20  Single Ambig)
 &rst
  ixpk= 3293, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1713,1714,1713,1714,
 &end
#
#  101 SER  HN            0 AMB  20-1:3294   2.80    (#   3294:20  Single Ambig)
 &rst
  ixpk= 3294, nxpk= 20, iat=1709,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1713,1714,1713,1714,
 &end
#
#  101 SER  HA            0 AMB  20-1:3296   2.80    (#   3296:20  Single Ambig)
 &rst
  ixpk= 3296, nxpk= 20, iat=1711,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1713,1714,1713,1714,
 &end
#
#    0 AMB  20-2:3298     0 AMB  20-1:3298   4.50    (#   3298:20  Double Ambig)
 &rst
  ixpk= 3298, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1727,1728,1727,1728,
 igr2=1713,1714,1713,1714,
 &end
#
#    0 AMB  20-2:3299     0 AMB  20-1:3299   4.50    (#   3299:20  Double Ambig)
 &rst
  ixpk= 3299, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1727,1728,1649,1650,
 igr2=1713,1714,1713,1714,1713,1714,
 &end
#
#  102 GLU  HB-           0 AMB  20-1:3300   8.00    (#   3300:20  Single Ambig)
 &rst
  ixpk= 3300, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1724,1725,
 igr2=1713,1714,1713,1714,
 &end
#
#    0 AMB  20-2:3301     0 AMB  20-1:3301   4.50    (#   3301:20  Double Ambig)
 &rst
  ixpk= 3301, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1663,1664,1665,1667,1668,1669,1663,1664,1665,1667,
      1668,1669,
 igr2=1713,1714,1713,1714,1713,1714,
 &end
#
#  110 TYR  HN          103 LYS  HA          8.00    (#   3302:20  Unique         4.88, 5.58 A)
 &rst
  ixpk= 3302, nxpk= 20, iat=1842,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   99 TYR  HD          103 LYS  HA          6.00    (#   3303:20  Unique         2.48, 4.85 A)
 &rst
  ixpk= 3303, nxpk= 20, iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1681,1690,
 &end
#
#  103 LYS  HD-         103 LYS  HA          8.00    (#   3304:20  Unique         2.08, 3.82 A)
 &rst
  ixpk= 3304, nxpk= 20, iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1745,1746,
 &end
#
#  104 ASP  HN          103 LYS  HB-         6.00    (#   3305:20  Unique         3.11, 3.99 A)
 &rst
  ixpk= 3305, nxpk= 20, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  103 LYS  HN          103 LYS  HB-         6.00    (#   3306:20  Unique         2.05, 2.56 A)
 &rst
  ixpk= 3306, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  103 LYS  HA          103 LYS  HB-         6.00    (#   3308:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 3308, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  103 LYS  HN          103 LYS  HB+         6.00    (#   3309:20  Unique         2.05, 2.56 A)
 &rst
  ixpk= 3309, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  104 ASP  HN          103 LYS  HB+         6.00    (#   3310:20  Unique         3.11, 3.99 A)
 &rst
  ixpk= 3310, nxpk= 20, iat=1757,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  103 LYS  HA          103 LYS  HB+         6.00    (#   3312:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 3312, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1739,1740,
 &end
#
#  103 LYS  HE+         103 LYS  HB-         6.00    (#   3313:20  Unique         2.22, 3.85 A)
 &rst
  ixpk= 3313, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1748,1749,
 igr2=1739,1740,
 &end
#
#    0 AMB  20-2:3316     0 AMB  20-1:3316   4.50    (#   3316:20  Double Ambig)
 &rst
  ixpk= 3316, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1742,1743,1742,1743,
 igr2=1739,1740,1739,1740,
 &end
#
#  103 LYS  HD+         103 LYS  HB-         2.80    (#   3317:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 3317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1745,1746,
 igr2=1739,1740,
 &end
#
#  103 LYS  HD-         103 LYS  HB+         6.00    (#   3318:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 3318, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1745,1746,
 igr2=1739,1740,
 &end
#
#  103 LYS  HD-         103 LYS  HB-         6.00    (#   3319:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 3319, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1745,1746,
 igr2=1739,1740,
 &end
#
#  103 LYS  HN            0 AMB  20-1:3320   6.00    (#   3320:20  Single Ambig)
 &rst
  ixpk= 3320, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1742,1743,1742,1743,
 &end
#
#  103 LYS  HA            0 AMB  20-1:3322   6.00    (#   3322:20  Single Ambig)
 &rst
  ixpk= 3322, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1742,1743,1742,1743,
 &end
#
#  103 LYS  HD-           0 AMB  20-1:3323   6.00    (#   3323:20  Single Ambig)
 &rst
  ixpk= 3323, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1745,1746,
 igr2=1742,1743,1742,1743,
 &end
#
#  103 LYS  HN          103 LYS  HD+         6.00    (#   3324:20  Unique         4.29, 5.08 A)
 &rst
  ixpk= 3324, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1745,1746,
 &end
#
#  103 LYS  HN          103 LYS  HD-         6.00    (#   3325:20  Unique         4.29, 5.08 A)
 &rst
  ixpk= 3325, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1745,1746,
 &end
#
#    0 AMB  20-2:3326     0 AMB  20-1:3326   8.00    (#   3326:20  Double Ambig)
 &rst
  ixpk= 3326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1190,1681,1690,
 igr2=1184,1185,1745,1746,
 &end
#
#    0 AMB  20-2:3327     0 AMB  20-1:3327   6.00    (#   3327:20  Double Ambig)
 &rst
  ixpk= 3327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1377,1385,1683,1688,
 igr2=1184,1185,1745,1746,
 &end
#
#  103 LYS  HA          103 LYS  HD-         8.00    (#   3328:20  Unique         2.08, 3.82 A)
 &rst
  ixpk= 3328, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1745,1746,
 &end
#
#  100 GLU  HA          103 LYS  HD-         6.00    (#   3329:20  Unique         2.79, 4.97 A)
 &rst
  ixpk= 3329, nxpk= 20, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1745,1746,
 &end
#
#  107 GLY  HA-         103 LYS  HD+         8.00    (#   3330:20  Unique         3.12, 6.45 A)
 &rst
  ixpk= 3330, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1798,1799,
 igr2=1745,1746,
 &end
#
#  103 LYS  HE-         103 LYS  HD+         6.00    (#   3331:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3331, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1748,1749,
 igr2=1745,1746,
 &end
#
#  103 LYS  HE-         103 LYS  HD-         4.50    (#   3332:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 3332, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1748,1749,
 igr2=1745,1746,
 &end
#
#  103 LYS  HB+         103 LYS  HD-         6.00    (#   3334:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 3334, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1739,1740,
 igr2=1745,1746,
 &end
#
#    0 AMB  20-2:3335   103 LYS  HD-         2.80    (#   3335:20  Single Ambig)
 &rst
  ixpk= 3335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1742,1743,1742,1743,
 igr2=1745,1746,
 &end
#
#  103 LYS  HB-         103 LYS  HD+         2.80    (#   3337:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 3337, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1739,1740,
 igr2=1745,1746,
 &end
#
#  103 LYS  HN          103 LYS  HE-         8.00    (#   3339:20  Unique         4.24, 5.89 A)
 &rst
  ixpk= 3339, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1748,1749,
 &end
#
#  103 LYS  HN          103 LYS  HE-         8.00    (#   3340:20  Unique         4.24, 5.89 A)
 &rst
  ixpk= 3340, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1748,1749,
 &end
#
#   68 ARG  HE           79 PHE  HB+         8.00    (#   3341:20  Unique         1.93, 5.45 A)
 &rst
  ixpk= 3341, nxpk= 20, iat=1190,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1373,1374,
 &end
#
#  114 ALA  HA            0 AMB  20-1:3342   6.00    (#   3342:20  Single Ambig)
 &rst
  ixpk= 3342, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1393,1394,1373,1374,
 &end
#
#    0 AMB  20-2:3344     0 AMB  20-1:3344   6.00    (#   3344:20  Double Ambig)
 &rst
  ixpk= 3344, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1698,1699,1698,1699,1346,1347,
 igr2=1748,1749,1748,1749,1373,1374,
 &end
#
#    0 AMB  20-2:3345   103 LYS  HE-         6.00    (#   3345:20  Single Ambig)
 &rst
  ixpk= 3345, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1698,1699,1698,1699,
 igr2=1748,1749,
 &end
#
#    0 AMB  20-2:3346     0 AMB  20-1:3346   4.50    (#   3346:20  Double Ambig)
 &rst
  ixpk= 3346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.84, r4= 8.34,
 igr1= 778, 779, 780, 782, 783, 784,1435,
 igr2=1373,1374,1393,1394,
 &end
#
#  106 ASP  HN          104 ASP  HB+         6.00    (#   3347:20  Unique         2.26, 3.95 A)
 &rst
  ixpk= 3347, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  108 PHE  HN          104 ASP  HB+         6.00    (#   3348:20  Unique         1.91, 3.82 A)
 &rst
  ixpk= 3348, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  106 ASP  HN          104 ASP  HB-         6.00    (#   3349:20  Unique         2.26, 3.95 A)
 &rst
  ixpk= 3349, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  105 GLU  HN          104 ASP  HB+         6.00    (#   3350:20  Unique         2.61, 3.58 A)
 &rst
  ixpk= 3350, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  105 GLU  HN          104 ASP  HB-         6.00    (#   3351:20  Unique         2.61, 3.58 A)
 &rst
  ixpk= 3351, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#    0 AMB  20-2:3352     0 AMB  20-1:3352   8.00    (#   3352:20  Double Ambig)
 &rst
  ixpk= 3352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1177,1158,
 igr2=1187,1188,1187,1188,
 &end
#
#  107 GLY  HN          104 ASP  HB+         6.00    (#   3353:20  Unique         2.34, 3.63 A)
 &rst
  ixpk= 3353, nxpk= 20, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#  102 GLU  HA          104 ASP  HB+         6.00    (#   3354:20  Unique         5.70, 6.88 A)
 &rst
  ixpk= 3354, nxpk= 20, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1761,1762,
 &end
#
#    0 AMB  20-2:3355     0 AMB  20-1:3355   6.00    (#   3355:20  Double Ambig)
 &rst
  ixpk= 3355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1737,1771,1786,
 igr2=1761,1762,1761,1762,1761,1762,
 &end
#
#  106 ASP  HN          105 GLU  HA          6.00    (#   3357:20  Unique         3.42, 3.54 A)
 &rst
  ixpk= 3357, nxpk= 20, iat=1784,1771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 GLY  HN          105 GLU  HA          6.00    (#   3358:20  Unique         3.57, 4.21 A)
 &rst
  ixpk= 3358, nxpk= 20, iat=1796,1771, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  106 ASP  HN            0 AMB  20-1:3362   6.00    (#   3362:20  Single Ambig)
 &rst
  ixpk= 3362, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1773,1774,1773,1774,
 &end
#
#    0 AMB  20-2:3365     0 AMB  20-1:3365   2.80    (#   3365:20  Double Ambig)
 &rst
  ixpk= 3365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1771,1786,
 igr2=1773,1774,1773,1774,
 &end
#
#    0 AMB  20-2:3366     0 AMB  20-1:3366   2.80    (#   3366:20  Double Ambig)
 &rst
  ixpk= 3366, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1776,1777,1776,1777,1776,1777,
 igr2=1773,1774,1773,1774,1773,1774,
 &end
#
#  106 ASP  HN            0 AMB  20-1:3367   6.00    (#   3367:20  Single Ambig)
 &rst
  ixpk= 3367, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1776,1777,1776,1777,
 &end
#
#  105 GLU  HN            0 AMB  20-1:3368   4.50    (#   3368:20  Single Ambig)
 &rst
  ixpk= 3368, nxpk= 20, iat=1769,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1776,1777,1776,1777,
 &end
#
#   13 PHE  HE            0 AMB  20-1:3369   4.50    (#   3369:20  Single Ambig)
 &rst
  ixpk= 3369, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 228, 232,
 igr2=1776,1777,1776,1777,
 &end
#
#  105 GLU  HA            0 AMB  20-1:3371   4.50    (#   3371:20  Single Ambig)
 &rst
  ixpk= 3371, nxpk= 20, iat=1771,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1776,1777,1776,1777,
 &end
#
#  106 ASP  HN          106 ASP  HA          6.00    (#   3372:20  Unique         2.79, 2.86 A)
 &rst
  ixpk= 3372, nxpk= 20, iat=1784,1786, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 GLY  HN          106 ASP  HA          6.00    (#   3374:20  Unique         2.98, 3.46 A)
 &rst
  ixpk= 3374, nxpk= 20, iat=1796,1786, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HE          106 ASP  HA          6.00    (#   3375:20  Unique         2.26, 5.35 A)
 &rst
  ixpk= 3375, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 228, 232,
 &end
#
#  106 ASP  HB+         106 ASP  HA          3.50    (#   3378:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 3378, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1788,1789,
 &end
#
#  106 ASP  HB-         106 ASP  HA          3.50    (#   3379:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 3379, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1788,1789,
 &end
#
#    0 AMB  20-2:3380   106 ASP  HA          6.00    (#   3380:20  Single Ambig)
 &rst
  ixpk= 3380, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1776,1777,1776,1777,
 &end
#
#    0 AMB  20-2:3381   106 ASP  HA          6.00    (#   3381:20  Single Ambig)
 &rst
  ixpk= 3381, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1773,1774,1773,1774,
 &end
#
#   17 VAL  MGX         106 ASP  HA          6.00    (#   3382:20  Unique         2.85, 4.57 A)
 &rst
  ixpk= 3382, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 VAL  MGY         106 ASP  HA          4.50    (#   3383:20  Unique         2.85, 4.57 A)
 &rst
  ixpk= 3383, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#  106 ASP  HN          106 ASP  HB-         8.00    (#   3385:20  Unique         2.06, 3.01 A)
 &rst
  ixpk= 3385, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1788,1789,
 &end
#
#    0 AMB  20-2:3386     0 AMB  20-1:3386   6.00    (#   3386:20  Double Ambig)
 &rst
  ixpk= 3386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 220,1577,1578,
 igr2=1788,1789,1026,1027,
 &end
#
#    0 AMB  20-2:3387     0 AMB  20-1:3387   6.00    (#   3387:20  Double Ambig)
 &rst
  ixpk= 3387, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 220,1577,1578,
 igr2=1788,1789,1026,1027,
 &end
#
#    0 AMB  20-2:3389     0 AMB  20-1:3389   6.00    (#   3389:20  Double Ambig)
 &rst
  ixpk= 3389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1761,1762, 296,1057,1058,1057,1058,
 igr2=1788,1789,1026,1027,
 &end
#
#   17 VAL  MGY         106 ASP  HB-         6.00    (#   3392:20  Unique         1.85, 5.24 A)
 &rst
  ixpk= 3392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2=1788,1789,
 &end
#
#   17 VAL  MGY         106 ASP  HB+         6.00    (#   3393:20  Unique         1.85, 5.24 A)
 &rst
  ixpk= 3393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2=1788,1789,
 &end
#
#   20 VAL  MGX         107 GLY  HA+         6.00    (#   3394:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 3394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2=1798,1799,
 &end
#
#  108 PHE  HN          108 PHE  HB+         6.00    (#   3395:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 3395, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1807,1808,
 &end
#
#  108 PHE  HN          108 PHE  HB-         6.00    (#   3396:20  Unique         2.07, 3.26 A)
 &rst
  ixpk= 3396, nxpk= 20, iat=1803,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1807,1808,
 &end
#
#  109 LEU  HN          108 PHE  HB-         6.00    (#   3397:20  Unique         1.88, 2.90 A)
 &rst
  ixpk= 3397, nxpk= 20, iat=1823,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1807,1808,
 &end
#
#  109 LEU  HN          108 PHE  HB+         6.00    (#   3398:20  Unique         1.88, 2.90 A)
 &rst
  ixpk= 3398, nxpk= 20, iat=1823,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1807,1808,
 &end
#
#  110 TYR  HD          108 PHE  HB+         6.00    (#   3399:20  Unique         3.28, 7.52 A)
 &rst
  ixpk= 3399, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1850,1859,
 igr2=1807,1808,
 &end
#
#  110 TYR  HD          108 PHE  HB-         6.00    (#   3400:20  Unique         3.28, 7.52 A)
 &rst
  ixpk= 3400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1850,1859,
 igr2=1807,1808,
 &end
#
#    0 AMB  20-2:3401     0 AMB  20-1:3401   6.00    (#   3401:20  Double Ambig)
 &rst
  ixpk= 3401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1811,1819,1681,1690,
 igr2=1807,1808,1807,1808,
 &end
#
#  108 PHE  HA          108 PHE  HB+         8.00    (#   3403:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 3403, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1807,1808,
 &end
#
#  108 PHE  HA          108 PHE  HB-         6.00    (#   3404:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 3404, nxpk= 20, iat=1805,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1807,1808,
 &end
#
#   34 ILE  HG1-        108 PHE  HB-         6.00    (#   3405:20  Unique         1.96, 4.72 A)
 &rst
  ixpk= 3405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 598, 599,
 igr2=1807,1808,
 &end
#
#  110 TYR  HN          109 LEU  HA          6.00    (#   3406:20  Unique         2.13, 2.16 A)
 &rst
  ixpk= 3406, nxpk= 20, iat=1842,1825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3408   109 LEU  HA          6.00    (#   3408:20  Single Ambig)
 &rst
  ixpk= 3408, nxpk= 20, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1827,1828,1830,
 &end
#
#  109 LEU  MDY         109 LEU  HA          4.50    (#   3409:20  Unique         1.66, 3.53 A)
 &rst
  ixpk= 3409, nxpk= 20, iat=  -1,1825, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#  109 LEU  HN          109 LEU  HB+         6.00    (#   3410:20  Unique         2.21, 2.77 A)
 &rst
  ixpk= 3410, nxpk= 20, iat=1823,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1827,1828,
 &end
#
#  109 LEU  HN          109 LEU  HB-         6.00    (#   3411:20  Unique         2.21, 2.77 A)
 &rst
  ixpk= 3411, nxpk= 20, iat=1823,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1827,1828,
 &end
#
#    0 AMB  20-2:3412     0 AMB  20-1:3412   6.00    (#   3412:20  Double Ambig)
 &rst
  ixpk= 3412, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1681,1690,1811,1819,
 igr2=1827,1828,1827,1828,
 &end
#
#    0 AMB  20-2:3413     0 AMB  20-1:3413   8.00    (#   3413:20  Double Ambig)
 &rst
  ixpk= 3413, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1683,1688, 917, 921,
 igr2=1827,1828,1827,1828,
 &end
#
#    0 AMB  20-2:3415   109 LEU  HB-         6.00    (#   3415:20  Single Ambig)
 &rst
  ixpk= 3415, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1681,1690,1811,1819,
 igr2=1827,1828,
 &end
#
#   33 VAL  HA          109 LEU  HB+         6.00    (#   3416:20  Unique         2.00, 2.75 A)
 &rst
  ixpk= 3416, nxpk= 20, iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1827,1828,
 &end
#
#  109 LEU  HA          109 LEU  HB+         6.00    (#   3417:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 3417, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1827,1828,
 &end
#
#  109 LEU  HA          109 LEU  HB-         6.00    (#   3418:20  Unique         2.41, 2.80 A)
 &rst
  ixpk= 3418, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1827,1828,
 &end
#
#   99 TYR  HA          109 LEU  HB-         8.00    (#   3419:20  Unique         2.07, 4.36 A)
 &rst
  ixpk= 3419, nxpk= 20, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1827,1828,
 &end
#
#    0 AMB  20-2:3421   109 LEU  HB-         3.50    (#   3421:20  Single Ambig)
 &rst
  ixpk= 3421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 igr2=1827,1828,
 &end
#
#   31 ILE  QG2         109 LEU  HB-         8.00    (#   3422:20  Unique         2.55, 4.58 A)
 &rst
  ixpk= 3422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 545, 546, 547,
 igr2=1827,1828,
 &end
#
#   31 ILE  QG2         109 LEU  HB+         6.00    (#   3423:20  Unique         2.55, 4.58 A)
 &rst
  ixpk= 3423, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 545, 546, 547,
 igr2=1827,1828,
 &end
#
#    0 AMB  20-2:3424    21 ARG  HG-         6.00    (#   3424:20  Single Ambig)
 &rst
  ixpk= 3424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 353, 377,
 igr2= 360, 361,
 &end
#
#   21 ARG  HE           21 ARG  HG-         6.00    (#   3425:20  Unique         2.11, 3.00 A)
 &rst
  ixpk= 3425, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 360, 361,
 &end
#
#   99 TYR  HD          109 LEU  HG          6.00    (#   3426:20  Unique         1.99, 4.18 A)
 &rst
  ixpk= 3426, nxpk= 20, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1681,1690,
 &end
#
#  109 LEU  HA          109 LEU  HG          6.00    (#   3428:20  Unique         2.63, 3.00 A)
 &rst
  ixpk= 3428, nxpk= 20, iat=1825,1830, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 LEU  HA           21 ARG  HG-         6.00    (#   3429:20  Unique         5.39, 6.09 A)
 &rst
  ixpk= 3429, nxpk= 20, iat= 379,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 360, 361,
 &end
#
#   21 ARG  HD+          21 ARG  HG-         4.50    (#   3430:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 3430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 363, 364,
 igr2= 360, 361,
 &end
#
#    0 AMB  20-2:3431     0 AMB  20-1:3431   4.50    (#   3431:20  Double Ambig)
 &rst
  ixpk= 3431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1677,1678, 363, 364,
 igr2=1830, 360, 361,
 &end
#
#    0 AMB  20-2:3432   109 LEU  HG          6.00    (#   3432:20  Single Ambig)
 &rst
  ixpk= 3432, nxpk= 20, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3433   109 LEU  HG          4.50    (#   3433:20  Single Ambig)
 &rst
  ixpk= 3433, nxpk= 20, iat=  -1,1830, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1827,1828,1724,1725,
 &end
#
#  110 TYR  HN          109 LEU  MDY         6.00    (#   3435:20  Unique         1.77, 4.55 A)
 &rst
  ixpk= 3435, nxpk= 20, iat=1842,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HN          109 LEU  MDY         6.00    (#   3436:20  Unique         2.48, 4.81 A)
 &rst
  ixpk= 3436, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  102 GLU  HN          109 LEU  MDY         6.00    (#   3437:20  Unique         2.94, 5.19 A)
 &rst
  ixpk= 3437, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:3440   109 LEU  MDY         6.00    (#   3440:20  Single Ambig)
 &rst
  ixpk= 3440, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1850,1859,1694,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HD          109 LEU  MDY         6.00    (#   3441:20  Unique         2.20, 5.71 A)
 &rst
  ixpk= 3441, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1681,1690,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  111 MET  HN          110 TYR  HB+         6.00    (#   3442:20  Unique         3.21, 4.15 A)
 &rst
  ixpk= 3442, nxpk= 20, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1846,1847,
 &end
#
#  110 TYR  HN          110 TYR  HB+         6.00    (#   3444:20  Unique         2.05, 2.84 A)
 &rst
  ixpk= 3444, nxpk= 20, iat=1842,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1846,1847,
 &end
#
#  110 TYR  HN          110 TYR  HB-         6.00    (#   3445:20  Unique         2.05, 2.84 A)
 &rst
  ixpk= 3445, nxpk= 20, iat=1842,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1846,1847,
 &end
#
#    0 AMB  20-2:3446     0 AMB  20-1:3446   3.50    (#   3446:20  Double Ambig)
 &rst
  ixpk= 3446, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1850,1859, 180,
 igr2=1846,1847, 101, 102,
 &end
#
#  110 TYR  HA          110 TYR  HB+         6.00    (#   3449:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 3449, nxpk= 20, iat=1844,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1846,1847,
 &end
#
#    0 AMB  20-2:3450    99 TYR  HB-         6.00    (#   3450:20  Single Ambig)
 &rst
  ixpk= 3450, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1832,1833,1834,1836,1837,1838, 549, 550,
 igr2=1677,1678,
 &end
#
#    0 AMB  20-2:3451     0 AMB  20-1:3451   6.00    (#   3451:20  Double Ambig)
 &rst
  ixpk= 3451, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1=1886,1887,1888,1890,1891,1892,1432,1433,
 igr2= 669, 670, 669, 670,
 &end
#
#  111 MET  HN            0 AMB  20-1:3452   6.00    (#   3452:20  Single Ambig)
 &rst
  ixpk= 3452, nxpk= 20, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1867,1868,1867,1868,
 &end
#
#  112 VAL  HN            0 AMB  20-1:3453   4.50    (#   3453:20  Single Ambig)
 &rst
  ixpk= 3453, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1867,1868,1867,1868,
 &end
#
#   35 ILE  HA            0 AMB  20-1:3454   6.00    (#   3454:20  Single Ambig)
 &rst
  ixpk= 3454, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1867,1868,1867,1868,
 &end
#
#   83 VAL  HA            0 AMB  20-1:3455   8.00    (#   3455:20  Single Ambig)
 &rst
  ixpk= 3455, nxpk= 20, iat=1449,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1867,1868,1867,1868,
 &end
#
#    0 AMB  20-2:3456     0 AMB  20-1:3456   2.80    (#   3456:20  Double Ambig)
 &rst
  ixpk= 3456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1870,1871,1870,1871,1870,1871,
 igr2=1867,1868,1867,1868,1867,1868,
 &end
#
#    0 AMB  20-2:3457     0 AMB  20-1:3457   2.80    (#   3457:20  Double Ambig)
 &rst
  ixpk= 3457, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.41, r4= 6.91,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,1418,1419,1420,1422,1423,1424,
 igr2=1867,1868,1867,1868,1867,1868,1867,1868,
 &end
#
#  111 MET  HN            0 AMB  20-1:3458   6.00    (#   3458:20  Single Ambig)
 &rst
  ixpk= 3458, nxpk= 20, iat=1863,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1870,1871,1870,1871,
 &end
#
#  112 VAL  HN            0 AMB  20-1:3459   6.00    (#   3459:20  Single Ambig)
 &rst
  ixpk= 3459, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3460     0 AMB  20-1:3460   6.00    (#   3460:20  Double Ambig)
 &rst
  ixpk= 3460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1844, 609,1411,
 igr2=1870,1871,1870,1871,1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3461     0 AMB  20-1:3461   2.80    (#   3461:20  Double Ambig)
 &rst
  ixpk= 3461, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 458, 459,1867,1868,1867,1868,1867,1868,
 igr2= 461, 462,1870,1871,1870,1871,1870,1871,
 &end
#
#  111 MET  ME            0 AMB  20-1:3462   2.80    (#   3462:20  Single Ambig)
 &rst
  ixpk= 3462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1874,1875,1876,
 igr2=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3463     0 AMB  20-1:3463   6.00    (#   3463:20  Double Ambig)
 &rst
  ixpk= 3463, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1413,1414,1413,1414,1724,1725,
 igr2=1870,1871,1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:3464     0 AMB  20-1:3464   6.00    (#   3464:20  Double Ambig)
 &rst
  ixpk= 3464, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1827,1828,1830,
 igr2=1870,1871,1870,1871,1870,1871,
 &end
#
#   63 LEU  MDX           0 AMB  20-1:3465   3.50    (#   3465:20  Single Ambig)
 &rst
  ixpk= 3465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2=1870,1871,1870,1871,
 &end
#
#  112 VAL  HN          112 VAL  HA          6.00    (#   3466:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 3466, nxpk= 20, iat=1880,1882, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 GLU  HN          112 VAL  HA          4.50    (#   3467:20  Unique         2.15, 2.87 A)
 &rst
  ixpk= 3467, nxpk= 20, iat= 626,1882, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  113 TYR  HN          112 VAL  HA          3.50    (#   3468:20  Unique         2.13, 2.20 A)
 &rst
  ixpk= 3468, nxpk= 20, iat=1896,1882, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  113 TYR  HD          112 VAL  HA          6.00    (#   3469:20  Unique         4.08, 6.20 A)
 &rst
  ixpk= 3469, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1904,1913,
 &end
#
#    0 AMB  20-2:3470   112 VAL  HA          8.00    (#   3470:20  Single Ambig)
 &rst
  ixpk= 3470, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 609,1411,
 &end
#
#   37 ARG  HA          112 VAL  HA          8.00    (#   3471:20  Unique         4.04, 4.38 A)
 &rst
  ixpk= 3471, nxpk= 20, iat= 643,1882, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:3472   112 VAL  HA          6.00    (#   3472:20  Single Ambig)
 &rst
  ixpk= 3472, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1884, 630, 631,
 &end
#
#    0 AMB  20-2:3473   112 VAL  HA          3.50    (#   3473:20  Single Ambig)
 &rst
  ixpk= 3473, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   81 LEU  MDY         112 VAL  HA          6.00    (#   3474:20  Unique         5.10, 7.51 A)
 &rst
  ixpk= 3474, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1418,1419,1420,1422,1423,1424,
 &end
#
#   35 ILE  HG1+        112 VAL  HA          6.00    (#   3475:20  Unique         3.97, 5.38 A)
 &rst
  ixpk= 3475, nxpk= 20, iat=  -1,1882, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 617, 618,
 &end
#
#   33 VAL  HN           33 VAL  HB          6.00    (#   3476:20  Unique         2.66, 2.97 A)
 &rst
  ixpk= 3476, nxpk= 20, iat= 572, 576, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HN          112 VAL  HB          6.00    (#   3478:20  Unique         2.80, 3.02 A)
 &rst
  ixpk= 3478, nxpk= 20, iat=1896,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HD          112 VAL  HB          8.00    (#   3479:20  Unique         3.45, 4.94 A)
 &rst
  ixpk= 3479, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 673, 682,
 &end
#
#  113 TYR  HD          112 VAL  HB          8.00    (#   3480:20  Unique         5.60, 6.89 A)
 &rst
  ixpk= 3480, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1904,1913,
 &end
#
#   38 TYR  HA          112 VAL  HB          6.00    (#   3481:20  Unique         2.05, 3.00 A)
 &rst
  ixpk= 3481, nxpk= 20, iat= 667,1884, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HB+         112 VAL  HB          6.00    (#   3482:20  Unique         1.92, 3.03 A)
 &rst
  ixpk= 3482, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#   38 TYR  HB-         112 VAL  HB          6.00    (#   3483:20  Unique         1.92, 3.03 A)
 &rst
  ixpk= 3483, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#   82 LEU  HB+         112 VAL  HB          6.00    (#   3484:20  Unique         2.00, 4.49 A)
 &rst
  ixpk= 3484, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1432,1433,
 &end
#
#   39 LYS  HG+         112 VAL  HB          8.00    (#   3485:20  Unique         6.02, 7.66 A)
 &rst
  ixpk= 3485, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 693, 694,
 &end
#
#    0 AMB  20-2:3486   112 VAL  HB          6.00    (#   3486:20  Single Ambig)
 &rst
  ixpk= 3486, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:3487     0 AMB  20-1:3487   6.00    (#   3487:20  Double Ambig)
 &rst
  ixpk= 3487, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1428,1612,
 igr2=1886,1887,1888,1890,1891,1892, 952, 953, 954, 956,
       957, 958,
 &end
#
#    0 AMB  20-2:3488     0 AMB  20-1:3488   6.00    (#   3488:20  Double Ambig)
 &rst
  ixpk= 3488, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1673,1513,
 igr2=1663,1664,1665,1667,1668,1669,1563,1564,1565,1567,
      1568,1569,
 &end
#
#  112 VAL  HN          112 VAL  MGX         3.50    (#   3489:20  Unique         1.72, 3.20 A)
 &rst
  ixpk= 3489, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#   52 PHE  HD           54 VAL  MGX         6.00    (#   3490:20  Unique         1.91, 7.09 A)
 &rst
  ixpk= 3490, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 915, 923,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  114 ALA  HN          113 TYR  HB+         6.00    (#   3491:20  Unique         2.52, 3.85 A)
 &rst
  ixpk= 3491, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1900,1901,
 &end
#
#  114 ALA  HN          113 TYR  HB-         6.00    (#   3492:20  Unique         2.52, 3.85 A)
 &rst
  ixpk= 3492, nxpk= 20, iat=1917,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1900,1901,
 &end
#
#  113 TYR  HN          113 TYR  HB-         8.00    (#   3493:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 3493, nxpk= 20, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1900,1901,
 &end
#
#  113 TYR  HN          113 TYR  HB+         8.00    (#   3494:20  Unique         2.40, 2.87 A)
 &rst
  ixpk= 3494, nxpk= 20, iat=1896,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1900,1901,
 &end
#
#  113 TYR  HE          113 TYR  HB-         6.00    (#   3495:20  Unique         4.63, 5.06 A)
 &rst
  ixpk= 3495, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1906,1911,
 igr2=1900,1901,
 &end
#
#   81 LEU  HA          113 TYR  HB-         8.00    (#   3496:20  Unique         2.70, 4.62 A)
 &rst
  ixpk= 3496, nxpk= 20, iat=1411,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1900,1901,
 &end
#
#    0 AMB  20-2:3499     0 AMB  20-1:3499   6.00    (#   3499:20  Double Ambig)
 &rst
  ixpk= 3499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 611,2176,2177,
 igr2= 911, 912, 911, 912,
 &end
#
#    0 AMB  20-2:3500   113 TYR  HB-         8.00    (#   3500:20  Single Ambig)
 &rst
  ixpk= 3500, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1416,1921,1922,1923,
 igr2=1900,1901,
 &end
#
#   44 LEU  MDX         113 TYR  HB-         8.00    (#   3501:20  Unique         2.54, 6.94 A)
 &rst
  ixpk= 3501, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1900,1901,
 &end
#
#   35 ILE  QG2         113 TYR  HB-         6.00    (#   3503:20  Unique         4.81, 6.50 A)
 &rst
  ixpk= 3503, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 613, 614, 615,
 igr2=1900,1901,
 &end
#
#   42 LYS  HN           42 LYS  HG+         6.00    (#   3504:20  Unique         2.72, 3.83 A)
 &rst
  ixpk= 3504, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 737, 738,
 &end
#
#   38 TYR  HN          114 ALA  MB          6.00    (#   3505:20  Unique         2.54, 4.45 A)
 &rst
  ixpk= 3505, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1921,1922,1923,
 &end
#
#   41 GLU  HN          114 ALA  MB          8.00    (#   3506:20  Unique         5.12, 7.21 A)
 &rst
  ixpk= 3506, nxpk= 20, iat= 715,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1921,1922,1923,
 &end
#
#  113 TYR  HE          114 ALA  MB          6.00    (#   3507:20  Unique         5.47, 7.53 A)
 &rst
  ixpk= 3507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1906,1911,
 igr2=1921,1922,1923,
 &end
#
#  113 TYR  HA          114 ALA  MB          6.00    (#   3508:20  Unique         4.35, 4.87 A)
 &rst
  ixpk= 3508, nxpk= 20, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  20-2:3509   114 ALA  MB          8.00    (#   3509:20  Single Ambig)
 &rst
  ixpk= 3509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1931,1932,1506,1507,1506,1507,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  20-2:3510     0 AMB  20-1:3510   3.50    (#   3510:20  Double Ambig)
 &rst
  ixpk= 3510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.53, r4= 7.03,
 igr1= 743, 744, 743, 744, 669, 670,
 igr2= 737, 738, 737, 738,1921,1922,1923,
 &end
#
#    0 AMB  20-2:3511   114 ALA  MB          3.50    (#   3511:20  Single Ambig)
 &rst
  ixpk= 3511, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 669, 670,1393,1394,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  20-2:3512     0 AMB  20-1:3512   4.50    (#   3512:20  Double Ambig)
 &rst
  ixpk= 3512, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=1900,1901, 722, 723, 722, 723,
 igr2=1921,1922,1923, 737, 738,
 &end
#
#   44 LEU  HG          114 ALA  MB          6.00    (#   3513:20  Unique         4.63, 5.84 A)
 &rst
  ixpk= 3513, nxpk= 20, iat= 776,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1921,1922,1923,
 &end
#
#  115 SER  HN          115 SER  HA          6.00    (#   3514:20  Unique         2.91, 2.97 A)
 &rst
  ixpk= 3514, nxpk= 20, iat=1927,1929, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3515   115 SER  HA          6.00    (#   3515:20  Single Ambig)
 &rst
  ixpk= 3515, nxpk= 20, iat=  -1,1929, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1938,1399,1403,
 &end
#
#   80 PHE  HD          115 SER  HA          6.00    (#   3516:20  Unique         2.18, 4.17 A)
 &rst
  ixpk= 3516, nxpk= 20, iat=  -1,1929, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1397,1405,
 &end
#
#   78 ALA  MB          115 SER  HA          6.00    (#   3517:20  Unique         3.00, 5.10 A)
 &rst
  ixpk= 3517, nxpk= 20, iat=  -1,1929, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1363,1364,1365,
 &end
#
#   44 LEU  MDX         115 SER  HA          6.00    (#   3518:20  Unique         2.27, 4.52 A)
 &rst
  ixpk= 3518, nxpk= 20, iat=  -1,1929, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  115 SER  HN          115 SER  HB+         6.00    (#   3519:20  Unique         2.17, 3.11 A)
 &rst
  ixpk= 3519, nxpk= 20, iat=1927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1931,1932,
 &end
#
#  115 SER  HN          115 SER  HB-         6.00    (#   3520:20  Unique         2.17, 3.11 A)
 &rst
  ixpk= 3520, nxpk= 20, iat=1927,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1931,1932,
 &end
#
#   93 THR  HN           92 SER  HB-         6.00    (#   3522:20  Unique         4.04, 4.43 A)
 &rst
  ixpk= 3522, nxpk= 20, iat=1584,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1577,1578,
 &end
#
#  116 GLN  HN          115 SER  HB+         8.00    (#   3524:20  Unique         3.98, 4.40 A)
 &rst
  ixpk= 3524, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1931,1932,
 &end
#
#    0 AMB  20-2:3525     0 AMB  20-1:3525   6.00    (#   3525:20  Double Ambig)
 &rst
  ixpk= 3525, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 151, 152,1397,1405,
 igr2=  39,  40,1506,1507,1506,1507,
 &end
#
#   79 PHE  HD          115 SER  HB+         8.00    (#   3526:20  Unique         5.15, 7.46 A)
 &rst
  ixpk= 3526, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1377,1385,
 igr2=1931,1932,
 &end
#
#  114 ALA  HA          115 SER  HB+         6.00    (#   3527:20  Unique         4.03, 4.80 A)
 &rst
  ixpk= 3527, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1931,1932,
 &end
#
#  115 SER  HA          115 SER  HB-         2.80    (#   3528:20  Unique         2.22, 2.50 A)
 &rst
  ixpk= 3528, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1931,1932,
 &end
#
#  115 SER  HA          115 SER  HB+         4.50    (#   3529:20  Unique         2.22, 2.50 A)
 &rst
  ixpk= 3529, nxpk= 20, iat=1929,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1931,1932,
 &end
#
#    0 AMB  20-2:3530     0 AMB  20-1:3530   8.00    (#   3530:20  Double Ambig)
 &rst
  ixpk= 3530, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 759, 760, 722, 723,
 igr2=1931,1932,1931,1932,
 &end
#
#    0 AMB  20-2:3531     0 AMB  20-1:3531   6.00    (#   3531:20  Double Ambig)
 &rst
  ixpk= 3531, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
 igr1= 756, 757,1534,1346,1347,1517,1518,
 igr2=1931,1932,1506,1507,1506,1507,1506,1507,
 &end
#
#  117 GLU  HN          116 GLN  HA          2.80    (#   3532:20  Unique         2.18, 2.47 A)
 &rst
  ixpk= 3532, nxpk= 20, iat=1955,1940, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   80 PHE  HE          116 GLN  HA          3.50    (#   3533:20  Unique         3.41, 4.60 A)
 &rst
  ixpk= 3533, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1399,1403,
 &end
#
#   80 PHE  HD          116 GLN  HA          6.00    (#   3534:20  Unique         2.32, 4.00 A)
 &rst
  ixpk= 3534, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1397,1405,
 &end
#
#  117 GLU  HA          116 GLN  HA          8.00    (#   3535:20  Unique         4.29, 4.36 A)
 &rst
  ixpk= 3535, nxpk= 20, iat=1957,1940, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  116 GLN  HB-         116 GLN  HA          3.50    (#   3536:20  Unique         2.32, 2.48 A)
 &rst
  ixpk= 3536, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1942,1943,
 &end
#
#    0 AMB  20-2:3537   116 GLN  HA          6.00    (#   3537:20  Single Ambig)
 &rst
  ixpk= 3537, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1962,1963,1921,1922,1923,
 &end
#
#  117 GLU  HB+         116 GLN  HA          8.00    (#   3538:20  Unique         3.97, 4.88 A)
 &rst
  ixpk= 3538, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1959,1960,
 &end
#
#  117 GLU  HB-         116 GLN  HA          6.00    (#   3539:20  Unique         3.97, 4.88 A)
 &rst
  ixpk= 3539, nxpk= 20, iat=  -1,1940, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1959,1960,
 &end
#
#    0 AMB  20-2:3540    47 LEU  HA          3.50    (#   3540:20  Single Ambig)
 &rst
  ixpk= 3540, nxpk= 20, iat=  -1, 820, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#  116 GLN  HN          116 GLN  HB+         6.00    (#   3542:20  Unique         2.77, 3.66 A)
 &rst
  ixpk= 3542, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#  118 THR  HN          116 GLN  HB+         6.00    (#   3543:20  Unique         2.32, 3.73 A)
 &rst
  ixpk= 3543, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#  118 THR  HN          116 GLN  HB-         6.00    (#   3544:20  Unique         2.32, 3.73 A)
 &rst
  ixpk= 3544, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1942,1943,
 &end
#
#  116 GLN  HE2-        116 GLN  HB-         8.00    (#   3545:20  Unique         2.02, 4.32 A)
 &rst
  ixpk= 3545, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1950,1951,
 igr2=1942,1943,
 &end
#
#    0 AMB  20-2:3546     2 PRO  HB-         8.00    (#   3546:20  Single Ambig)
 &rst
  ixpk= 3546, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 873,2049,
 igr2=  28,  29,
 &end
#
#    0 AMB  20-2:3547     0 AMB  20-1:3547   6.00    (#   3547:20  Double Ambig)
 &rst
  ixpk= 3547, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1130,1131,1130,1131,
 igr2=1121,1122,1121,1122,
 &end
#
#   46 VAL  HN           46 VAL  HB          3.50    (#   3551:20  Unique         2.50, 2.99 A)
 &rst
  ixpk= 3551, nxpk= 20, iat= 802, 806, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HN          116 GLN  HG+         8.00    (#   3552:20  Unique         2.76, 3.98 A)
 &rst
  ixpk= 3552, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1945,1946,
 &end
#
#  117 GLU  HN          116 GLN  HG-         6.00    (#   3553:20  Unique         2.76, 3.98 A)
 &rst
  ixpk= 3553, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#  116 GLN  HE2+        116 GLN  HG+         6.00    (#   3554:20  Unique         2.15, 3.27 A)
 &rst
  ixpk= 3554, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2=1945,1946,
 &end
#
#  118 THR  HN          116 GLN  HG+         6.00    (#   3555:20  Unique         2.13, 3.82 A)
 &rst
  ixpk= 3555, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#  118 THR  HN          116 GLN  HG-         6.00    (#   3556:20  Unique         2.13, 3.82 A)
 &rst
  ixpk= 3556, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#  116 GLN  HE2-        116 GLN  HG+         6.00    (#   3557:20  Unique         2.15, 3.27 A)
 &rst
  ixpk= 3557, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2=1945,1946,
 &end
#
#  116 GLN  HE2-        116 GLN  HG-         6.00    (#   3558:20  Unique         2.15, 3.27 A)
 &rst
  ixpk= 3558, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1950,1951,
 igr2=1945,1946,
 &end
#
#    0 AMB  20-2:3560     0 AMB  20-1:3560   4.50    (#   3560:20  Double Ambig)
 &rst
  ixpk= 3560, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1=1940,1608,  85,
 igr2=1945,1946,1605,1606, 806,
 &end
#
#  116 GLN  HB-         116 GLN  HG+         2.80    (#   3561:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 3561, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1942,1943,
 igr2=1945,1946,
 &end
#
#  116 GLN  HB-         116 GLN  HG-         2.80    (#   3562:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 3562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1942,1943,
 igr2=1945,1946,
 &end
#
#  114 ALA  MB          116 GLN  HG+         6.00    (#   3563:20  Unique         3.12, 5.31 A)
 &rst
  ixpk= 3563, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1921,1922,1923,
 igr2=1945,1946,
 &end
#
#    0 AMB  20-2:3564   116 GLN  HG-         6.00    (#   3564:20  Single Ambig)
 &rst
  ixpk= 3564, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1921,1922,1923,1962,1963,
 igr2=1945,1946,
 &end
#
#    0 AMB  20-2:3566   117 GLU  HA          8.00    (#   3566:20  Single Ambig)
 &rst
  ixpk= 3566, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1917,1389,
 &end
#
#    0 AMB  20-2:3567   117 GLU  HA          6.00    (#   3567:20  Single Ambig)
 &rst
  ixpk= 3567, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1399,1403,1498,
 &end
#
#  116 GLN  HE2-        117 GLU  HA          8.00    (#   3568:20  Unique         4.86, 6.63 A)
 &rst
  ixpk= 3568, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1950,1951,
 &end
#
#   80 PHE  HB+         117 GLU  HA          6.00    (#   3569:20  Unique         3.89, 4.83 A)
 &rst
  ixpk= 3569, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1393,1394,
 &end
#
#   80 PHE  HB-         117 GLU  HA          6.00    (#   3570:20  Unique         3.89, 4.83 A)
 &rst
  ixpk= 3570, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1393,1394,
 &end
#
#    0 AMB  20-2:3571   117 GLU  HA          8.00    (#   3571:20  Single Ambig)
 &rst
  ixpk= 3571, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1945,1946,1942,1943,
 &end
#
#    0 AMB  20-2:3573   117 GLU  HA          4.50    (#   3573:20  Single Ambig)
 &rst
  ixpk= 3573, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1962,1963,1432,1433,
 &end
#
#  117 GLU  HB+         117 GLU  HA          3.50    (#   3575:20  Unique         2.32, 2.57 A)
 &rst
  ixpk= 3575, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1959,1960,
 &end
#
#  117 GLU  HB-         117 GLU  HA          3.50    (#   3576:20  Unique         2.32, 2.57 A)
 &rst
  ixpk= 3576, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1959,1960,
 &end
#
#  118 THR  MG2         117 GLU  HA          6.00    (#   3577:20  Unique         3.79, 5.67 A)
 &rst
  ixpk= 3577, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1976,1977,1978,
 &end
#
#    0 AMB  20-2:3578   117 GLU  HA          4.50    (#   3578:20  Single Ambig)
 &rst
  ixpk= 3578, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#  117 GLU  HN          117 GLU  HB+         4.50    (#   3579:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 3579, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1959,1960,
 &end
#
#  117 GLU  HN          117 GLU  HB-         4.50    (#   3580:20  Unique         2.17, 2.95 A)
 &rst
  ixpk= 3580, nxpk= 20, iat=1955,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1959,1960,
 &end
#
#   80 PHE  HE          117 GLU  HB+         6.00    (#   3581:20  Unique         2.78, 6.79 A)
 &rst
  ixpk= 3581, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1399,1403,
 igr2=1959,1960,
 &end
#
#   86 HIS  HD2         117 GLU  HB-         6.00    (#   3582:20  Unique         4.78, 6.59 A)
 &rst
  ixpk= 3582, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1959,1960,
 &end
#
#  118 THR  HN          117 GLU  HB-         6.00    (#   3583:20  Unique         1.93, 3.59 A)
 &rst
  ixpk= 3583, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1959,1960,
 &end
#
#  118 THR  HN          117 GLU  HB+         6.00    (#   3584:20  Unique         1.93, 3.59 A)
 &rst
  ixpk= 3584, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1959,1960,
 &end
#
#  116 GLN  HA          117 GLU  HB+         8.00    (#   3585:20  Unique         3.97, 4.88 A)
 &rst
  ixpk= 3585, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1959,1960,
 &end
#
#    0 AMB  20-2:3586     0 AMB  20-1:3586   6.00    (#   3586:20  Double Ambig)
 &rst
  ixpk= 3586, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1940,2064,
 igr2=1959,1960, 406, 407,
 &end
#
#    0 AMB  20-2:3587     0 AMB  20-1:3587   6.00    (#   3587:20  Double Ambig)
 &rst
  ixpk= 3587, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1972, 379,
 igr2=1959,1960, 406, 407,
 &end
#
#    0 AMB  20-2:3588   117 GLU  HB-         8.00    (#   3588:20  Single Ambig)
 &rst
  ixpk= 3588, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1506,1507,1506,1507,
 igr2=1959,1960,
 &end
#
#    0 AMB  20-2:3589     0 AMB  20-1:3589   8.00    (#   3589:20  Double Ambig)
 &rst
  ixpk= 3589, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1506,1507,1506,1507,
 igr2=1959,1960,1959,1960,
 &end
#
#  117 GLU  HA          117 GLU  HB+         4.50    (#   3590:20  Unique         2.32, 2.57 A)
 &rst
  ixpk= 3590, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1959,1960,
 &end
#
#    0 AMB  20-2:3591     0 AMB  20-1:3591   3.50    (#   3591:20  Double Ambig)
 &rst
  ixpk= 3591, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1957, 339,
 igr2=1959,1960, 406, 407,
 &end
#
#  117 GLU  HG+         117 GLU  HB+         3.50    (#   3592:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 3592, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1962,1963,
 igr2=1959,1960,
 &end
#
#    0 AMB  20-2:3593     0 AMB  20-1:3593   3.50    (#   3593:20  Double Ambig)
 &rst
  ixpk= 3593, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1962,1963, 527, 528, 527, 528,
 igr2=1959,1960, 406, 407,
 &end
#
#  117 GLU  HG-         117 GLU  HB+         3.50    (#   3594:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 3594, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1962,1963,
 igr2=1959,1960,
 &end
#
#  117 GLU  HG-         117 GLU  HB-         4.50    (#   3595:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 3595, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1962,1963,
 igr2=1959,1960,
 &end
#
#    0 AMB  20-2:3599     0 AMB  20-1:3599   6.00    (#   3599:20  Double Ambig)
 &rst
  ixpk= 3599, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1976,1977,1978, 402, 403, 404,
 igr2=1959,1960, 406, 407,
 &end
#
#    0 AMB  20-2:3600     0 AMB  20-1:3600   6.00    (#   3600:20  Double Ambig)
 &rst
  ixpk= 3600, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1959,1960,1959,1960,
 &end
#
#   86 HIS  HD2         117 GLU  HG+         6.00    (#   3602:20  Unique         4.06, 6.07 A)
 &rst
  ixpk= 3602, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1962,1963,
 &end
#
#   86 HIS  HD2         117 GLU  HG-         6.00    (#   3603:20  Unique         4.06, 6.07 A)
 &rst
  ixpk= 3603, nxpk= 20, iat=1498,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1962,1963,
 &end
#
#   80 PHE  HD          117 GLU  HG-         6.00    (#   3604:20  Unique         2.84, 7.62 A)
 &rst
  ixpk= 3604, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1397,1405,
 igr2=1962,1963,
 &end
#
#   80 PHE  HD          117 GLU  HG+         6.00    (#   3605:20  Unique         2.84, 7.62 A)
 &rst
  ixpk= 3605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1397,1405,
 igr2=1962,1963,
 &end
#
#  116 GLN  HA          117 GLU  HG+         8.00    (#   3606:20  Unique         4.28, 5.80 A)
 &rst
  ixpk= 3606, nxpk= 20, iat=1940,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1962,1963,
 &end
#
#    0 AMB  20-2:3607     0 AMB  20-1:3607   6.00    (#   3607:20  Double Ambig)
 &rst
  ixpk= 3607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=1506,1507,1506,1507,1974,
 igr2=1962,1963,1962,1963,1962,1963,
 &end
#
#    0 AMB  20-2:3608   117 GLU  HG-         6.00    (#   3608:20  Single Ambig)
 &rst
  ixpk= 3608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1506,1507,1506,1507,1974,
 igr2=1962,1963,
 &end
#
#  117 GLU  HA          117 GLU  HG+         6.00    (#   3609:20  Unique         2.15, 3.35 A)
 &rst
  ixpk= 3609, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1962,1963,
 &end
#
#  117 GLU  HB+         117 GLU  HG+         2.80    (#   3613:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 3613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1959,1960,
 igr2=1962,1963,
 &end
#
#  117 GLU  HB+         117 GLU  HG-         2.80    (#   3614:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 3614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1959,1960,
 igr2=1962,1963,
 &end
#
#    0 AMB  20-2:3615     0 AMB  20-1:3615   2.80    (#   3615:20  Double Ambig)
 &rst
  ixpk= 3615, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1959,1960, 524, 525,
 igr2=1962,1963, 521, 522,
 &end
#
#  118 THR  MG2         117 GLU  HG+         4.50    (#   3616:20  Unique         2.06, 4.33 A)
 &rst
  ixpk= 3616, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1976,1977,1978,
 igr2=1962,1963,
 &end
#
#    0 AMB  20-2:3617   117 GLU  HG-         6.00    (#   3617:20  Single Ambig)
 &rst
  ixpk= 3617, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1962,1963,
 &end
#
#  119 PHE  HN          118 THR  HA          2.80    (#   3618:20  Unique         2.14, 2.37 A)
 &rst
  ixpk= 3618, nxpk= 20, iat=1984,1972, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  20-2:3619   118 THR  HA          8.00    (#   3619:20  Single Ambig)
 &rst
  ixpk= 3619, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=2004,1955,
 &end
#
#  118 THR  HN          118 THR  HA          4.50    (#   3620:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 3620, nxpk= 20, iat=1970,1972, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 GLN  HE2-        118 THR  HA          8.00    (#   3621:20  Unique         3.29, 6.17 A)
 &rst
  ixpk= 3621, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1950,1951,
 &end
#
#    0 AMB  20-2:3622   118 THR  HA          6.00    (#   3622:20  Single Ambig)
 &rst
  ixpk= 3622, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1992,2000,1994,1998,
 &end
#
#  119 PHE  HA          118 THR  HA          6.00    (#   3625:20  Unique         4.30, 4.40 A)
 &rst
  ixpk= 3625, nxpk= 20, iat=1986,1972, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  118 THR  HB          118 THR  HA          2.80    (#   3627:20  Unique         2.37, 2.58 A)
 &rst
  ixpk= 3627, nxpk= 20, iat=1974,1972, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#  118 THR  MG2         118 THR  HA          3.50    (#   3628:20  Unique         2.35, 3.19 A)
 &rst
  ixpk= 3628, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1976,1977,1978,
 &end
#
#    0 AMB  20-2:3629   118 THR  HA          6.00    (#   3629:20  Single Ambig)
 &rst
  ixpk= 3629, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#  119 PHE  HN          118 THR  HB          6.00    (#   3630:20  Unique         1.97, 2.89 A)
 &rst
  ixpk= 3630, nxpk= 20, iat=1984,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  120 GLY  HN          118 THR  HB          8.00    (#   3631:20  Unique         2.87, 5.32 A)
 &rst
  ixpk= 3631, nxpk= 20, iat=2004,1974, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  118 THR  HN          118 THR  HB          6.00    (#   3632:20  Unique         3.25, 3.67 A)
 &rst
  ixpk= 3632, nxpk= 20, iat=1970,1974, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  118 THR  HA          118 THR  HB          3.50    (#   3637:20  Unique         2.37, 2.58 A)
 &rst
  ixpk= 3637, nxpk= 20, iat=1972,1974, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HB+         118 THR  HB          8.00    (#   3639:20  Unique         4.39, 5.85 A)
 &rst
  ixpk= 3639, nxpk= 20, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1959,1960,
 &end
#
#  118 THR  MG2         118 THR  HB          2.80    (#   3640:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 3640, nxpk= 20, iat=  -1,1974, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1976,1977,1978,
 &end
#
#  119 PHE  HN          118 THR  MG2         6.00    (#   3641:20  Unique         2.82, 4.20 A)
 &rst
  ixpk= 3641, nxpk= 20, iat=1984,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1976,1977,1978,
 &end
#
#  118 THR  HN          118 THR  MG2         6.00    (#   3642:20  Unique         2.44, 4.06 A)
 &rst
  ixpk= 3642, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1976,1977,1978,
 &end
#
#  118 THR  HA          118 THR  MG2         3.50    (#   3644:20  Unique         2.35, 3.19 A)
 &rst
  ixpk= 3644, nxpk= 20, iat=1972,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1976,1977,1978,
 &end
#
#  118 THR  HB          118 THR  MG2         2.80    (#   3645:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 3645, nxpk= 20, iat=1974,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1976,1977,1978,
 &end
#
#  119 PHE  HN          119 PHE  HB+         6.00    (#   3646:20  Unique         2.18, 3.19 A)
 &rst
  ixpk= 3646, nxpk= 20, iat=1984,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1988,1989,
 &end
#
#  120 GLY  HN          119 PHE  HB+         6.00    (#   3647:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 3647, nxpk= 20, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1988,1989,
 &end
#
#  120 GLY  HN          119 PHE  HB-         6.00    (#   3648:20  Unique         2.16, 3.66 A)
 &rst
  ixpk= 3648, nxpk= 20, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1988,1989,
 &end
#
#  118 THR  HA          119 PHE  HB-         8.00    (#   3649:20  Unique         4.03, 4.96 A)
 &rst
  ixpk= 3649, nxpk= 20, iat=1972,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1988,1989,
 &end
#
#    0 AMB  20-2:3655     0 AMB  20-1:3655   6.00    (#   3655:20  Double Ambig)
 &rst
  ixpk= 3655, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.09, r4=14.59,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443, 594, 595, 596, 300, 301, 302, 304, 305,
       306,
 igr2= 669, 670, 669, 670, 101, 102, 222, 223,
 &end
#
#  120 GLY  HN          120 GLY  HA+         2.80    (#   3656:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 3656, nxpk= 20, iat=2004,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=2006,2007,
 &end
#
#  118 THR  MG2         120 GLY  HA+         6.00    (#   3657:20  Unique         3.73, 7.76 A)
 &rst
  ixpk= 3657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1976,1977,1978,
 igr2=2006,2007,
 &end
#
#    0 AMB  20-2:3666    67 ILE  HA          6.00    (#   3666:20  Single Ambig)
 &rst
  ixpk= 3666, nxpk= 20, iat=  -1,1160, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1235,1236,1211,1212,1211,1212,
 &end
#
#    0 AMB  20-2:3667     0 AMB  20-1:3667   4.50    (#   3667:20  Double Ambig)
 &rst
  ixpk= 3667, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1506,1507,1506,1507,1506,1507,
 &end
#
#  117 GLU  HA            0 AMB  20-1:3669   8.00    (#   3669:20  Single Ambig)
 &rst
  ixpk= 3669, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1506,1507,1506,1507,
 &end
#
#    0 AMB  20-2:3676     0 AMB  20-1:3676   6.00    (#   3676:20  Double Ambig)
 &rst
  ixpk= 3676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
 igr1= 966, 967, 966, 967,1517,1518,1517,1518,
 igr2=1008,1057,1058,1057,1058,
 &end
#
#  113 TYR  HE           46 VAL  HA          6.00    (#   3685:20  Unique         3.41, 6.43 A)
 &rst
  ixpk= 3685, nxpk= 20, iat=  -1, 804, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1906,1911,
 &end
#
#   47 LEU  HA           46 VAL  HA          8.00    (#   3686:20  Unique         4.37, 4.45 A)
 &rst
  ixpk= 3686, nxpk= 20, iat= 820, 804, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:3687    46 VAL  HA          8.00    (#   3687:20  Single Ambig)
 &rst
  ixpk= 3687, nxpk= 20, iat=  -1, 804, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 645, 646, 773, 774,
 &end
#
#   12 THR  HN           12 THR  HA          6.00    (#   3688:20  Unique         2.82, 2.91 A)
 &rst
  ixpk= 3688, nxpk= 20, iat= 204, 206, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HB+          12 THR  HA          8.00    (#   3689:20  Unique         4.53, 5.10 A)
 &rst
  ixpk= 3689, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 222, 223,
 &end
#
#    0 AMB  20-2:3690    12 THR  HA          6.00    (#   3690:20  Single Ambig)
 &rst
  ixpk= 3690, nxpk= 20, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 222, 223, 101, 102,
 &end
#
#    0 AMB  20-2:3693    61 SER  HA          6.00    (#   3693:20  Single Ambig)
 &rst
  ixpk= 3693, nxpk= 20, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1064,1557,1036,
 &end
#
#   65 LYS  HN           61 SER  HA          6.00    (#   3694:20  Unique         3.76, 4.07 A)
 &rst
  ixpk= 3694, nxpk= 20, iat=1117,1055, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3696    61 SER  HA          2.80    (#   3696:20  Single Ambig)
 &rst
  ixpk= 3696, nxpk= 20, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1057,1058,1057,1058,
 &end
#
#    7 PHE  HB+           6 THR  HA          8.00    (#   3698:20  Unique         4.27, 5.05 A)
 &rst
  ixpk= 3698, nxpk= 20, iat=  -1,  85, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 101, 102,
 &end
#
#   13 PHE  HB-          14 GLU  HA          8.00    (#   3699:20  Unique         3.74, 4.66 A)
 &rst
  ixpk= 3699, nxpk= 20, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 222, 223,
 &end
#
#   62 GLU  HA           65 LYS  HA          6.00    (#   3700:20  Unique         5.14, 5.78 A)
 &rst
  ixpk= 3700, nxpk= 20, iat=1066,1119, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  119 PHE  HB-         118 THR  HA          6.00    (#   3704:20  Unique         4.03, 4.96 A)
 &rst
  ixpk= 3704, nxpk= 20, iat=  -1,1972, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1988,1989,
 &end
#
#  104 ASP  HB+         105 GLU  HA          8.00    (#   3709:20  Unique         4.69, 5.45 A)
 &rst
  ixpk= 3709, nxpk= 20, iat=  -1,1771, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#   38 TYR  HD           39 LYS  HA          6.00    (#   3711:20  Unique         4.50, 5.95 A)
 &rst
  ixpk= 3711, nxpk= 20, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 682,
 &end
#
#   16 ARG  HN           15 GLN  HA          6.00    (#   3714:20  Unique         3.50, 3.54 A)
 &rst
  ixpk= 3714, nxpk= 20, iat= 270, 255, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HN           10 ARG  HA          6.00    (#   3727:20  Unique         2.82, 2.92 A)
 &rst
  ixpk= 3727, nxpk= 20, iat= 156, 158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3728    10 ARG  HA          6.00    (#   3728:20  Single Ambig)
 &rst
  ixpk= 3728, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 180, 139,
 &end
#
#    0 AMB  20-2:3730    10 ARG  HA          8.00    (#   3730:20  Single Ambig)
 &rst
  ixpk= 3730, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 166, 167, 166, 167,
 &end
#
#    0 AMB  20-2:3731    10 ARG  HA          6.00    (#   3731:20  Single Ambig)
 &rst
  ixpk= 3731, nxpk= 20, iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 190, 191, 190, 191,
 &end
#
#  102 GLU  HN          103 LYS  HA          8.00    (#   3732:20  Unique         4.21, 4.33 A)
 &rst
  ixpk= 3732, nxpk= 20, iat=1720,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   86 HIS  HB+         117 GLU  HA          8.00    (#   3734:20  Unique         6.35, 6.97 A)
 &rst
  ixpk= 3734, nxpk= 20, iat=  -1,1957, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1488,1489,
 &end
#
#  103 LYS  HD+         103 LYS  HA          6.00    (#   3738:20  Unique         2.08, 3.82 A)
 &rst
  ixpk= 3738, nxpk= 20, iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1745,1746,
 &end
#
#  103 LYS  HB-         103 LYS  HA          4.50    (#   3739:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 3739, nxpk= 20, iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1739,1740,
 &end
#
#  103 LYS  HB+         103 LYS  HA          3.50    (#   3740:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 3740, nxpk= 20, iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1739,1740,
 &end
#
#    0 AMB  20-2:3741     9 GLN  HA          6.00    (#   3741:20  Single Ambig)
 &rst
  ixpk= 3741, nxpk= 20, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 124, 125,  65,  66,  65,  66, 121, 122, 163, 164,
      
 &end
#
#    9 GLN  HB-           9 GLN  HA          3.50    (#   3742:20  Unique         2.35, 2.77 A)
 &rst
  ixpk= 3742, nxpk= 20, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 143, 144,
 &end
#
#    0 AMB  20-2:3743     9 GLN  HA          3.50    (#   3743:20  Single Ambig)
 &rst
  ixpk= 3743, nxpk= 20, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 146, 147, 146, 147,
 &end
#
#    9 GLN  HN            9 GLN  HA          6.00    (#   3744:20  Unique         2.82, 2.93 A)
 &rst
  ixpk= 3744, nxpk= 20, iat= 139, 141, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3745     0 AMB  20-1:3745   6.00    (#   3745:20  Double Ambig)
 &rst
  ixpk= 3745, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 156,1823,
 igr2= 141,1737,
 &end
#
#  102 GLU  HN          103 LYS  HA          8.00    (#   3747:20  Unique         4.21, 4.33 A)
 &rst
  ixpk= 3747, nxpk= 20, iat=1720,1737, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  104 ASP  HN          103 LYS  HA          3.50    (#   3749:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 3749, nxpk= 20, iat=1757,1737, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:3750    56 ASP  HA          8.00    (#   3750:20  Single Ambig)
 &rst
  ixpk= 3750, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 990, 507, 948,
 &end
#
#   31 ILE  HN           56 ASP  HA          8.00    (#   3751:20  Unique         2.70, 4.43 A)
 &rst
  ixpk= 3751, nxpk= 20, iat= 539, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   73 LEU  MDY          77 GLN  HA          8.00    (#   3752:20  Unique         4.82, 7.39 A)
 &rst
  ixpk= 3752, nxpk= 20, iat=  -1,1344, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   74 ASN  HA           73 LEU  HA          6.00    (#   3765:20  Unique         4.40, 4.53 A)
 &rst
  ixpk= 3765, nxpk= 20, iat=1306,1287, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3790    55 PRO  HD-         6.00    (#   3790:20  Single Ambig)
 &rst
  ixpk= 3790, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1008, 978,
 igr2= 963, 964,
 &end
#
#    0 AMB  20-2:3794    55 PRO  HD-         8.00    (#   3794:20  Single Ambig)
 &rst
  ixpk= 3794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1010,2240,2241,
 igr2= 963, 964,
 &end
#
#   43 GLN  HA           45 PRO  HD+         6.00    (#   3804:20  Unique         4.64, 6.08 A)
 &rst
  ixpk= 3804, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 789, 790,
 &end
#
#   43 GLN  HA           45 PRO  HD-         8.00    (#   3805:20  Unique         4.64, 6.08 A)
 &rst
  ixpk= 3805, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 789, 790,
 &end
#
#   47 LEU  HA           45 PRO  HD-         8.00    (#   3806:20  Unique         6.75, 7.73 A)
 &rst
  ixpk= 3806, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 789, 790,
 &end
#
#   27 HIS  HB-          28 PRO  HD+         8.00    (#   3812:20  Unique         3.60, 4.71 A)
 &rst
  ixpk= 3812, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 475, 476,
 igr2= 490, 491,
 &end
#
#   20 VAL  MGY         107 GLY  HA-         4.50    (#   3826:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 3826, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2=1798,1799,
 &end
#
#  107 GLY  HN          107 GLY  HA+         6.00    (#   3827:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 3827, nxpk= 20, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1798,1799,
 &end
#
#   20 VAL  MGY         107 GLY  HA+         4.50    (#   3830:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 3830, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2=1798,1799,
 &end
#
#    0 AMB  20-2:3855     0 AMB  20-1:3855   6.00    (#   3855:20  Double Ambig)
 &rst
  ixpk= 3855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 190, 191, 190, 191, 190, 191,
 igr2= 166, 167, 166, 167, 166, 167,
 &end
#
#   68 ARG  HD-           0 AMB  20-1:3856   6.00    (#   3856:20  Single Ambig)
 &rst
  ixpk= 3856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1187,1188,
 igr2=1211,1212,1211,1212,
 &end
#
#    0 AMB  20-2:3858     0 AMB  20-1:3858   6.00    (#   3858:20  Double Ambig)
 &rst
  ixpk= 3858, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1184,1185,1184,1185,
 igr2=1211,1212,1211,1212,
 &end
#
#   12 THR  HN            0 AMB  20-1:3859   8.00    (#   3859:20  Single Ambig)
 &rst
  ixpk= 3859, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2= 190, 191, 190, 191,
 &end
#
#   11 ARG  HE            0 AMB  20-1:3860   6.00    (#   3860:20  Single Ambig)
 &rst
  ixpk= 3860, nxpk= 20, iat= 193,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 190, 191, 190, 191,
 &end
#
#   11 ARG  HN            0 AMB  20-1:3861   6.00    (#   3861:20  Single Ambig)
 &rst
  ixpk= 3861, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:3868     0 AMB  20-1:3868   6.00    (#   3868:20  Double Ambig)
 &rst
  ixpk= 3868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 184, 185, 892, 893, 892, 893,
 igr2= 190, 191, 190, 191, 190, 191,
 &end
#
#    0 AMB  20-2:3869    71 LEU  HB-         4.50    (#   3869:20  Single Ambig)
 &rst
  ixpk= 3869, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1292,1232,1233,
 igr2=1253,1254,
 &end
#
#    0 AMB  20-2:3872     0 AMB  20-1:3872   6.00    (#   3872:20  Double Ambig)
 &rst
  ixpk= 3872, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1813,1817, 283,
 igr2= 280, 281, 280, 281,
 &end
#
#    0 AMB  20-2:3873    16 ARG  HD-         6.00    (#   3873:20  Single Ambig)
 &rst
  ixpk= 3873, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1813,1817, 283,
 igr2= 280, 281,
 &end
#
#  129 TYR  HH           16 ARG  HD+         8.00    (#   3874:20  Unique         5.71, 7.21 A)
 &rst
  ixpk= 3874, nxpk= 20, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 280, 281,
 &end
#
#   28 PRO  HA           24 ARG  HD+         8.00    (#   3880:20  Unique         2.80, 4.22 A)
 &rst
  ixpk= 3880, nxpk= 20, iat= 499,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 425, 426,
 &end
#
#   24 ARG  HA           24 ARG  HD+         3.50    (#   3881:20  Unique         1.95, 3.04 A)
 &rst
  ixpk= 3881, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 425, 426,
 &end
#
#   24 ARG  HA           24 ARG  HD-         6.00    (#   3882:20  Unique         1.95, 3.04 A)
 &rst
  ixpk= 3882, nxpk= 20, iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:3886     0 AMB  20-1:3886   6.00    (#   3886:20  Double Ambig)
 &rst
  ixpk= 3886, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 898, 899, 419, 420,
 igr2= 280, 281, 425, 426,
 &end
#
#    0 AMB  20-2:3887     0 AMB  20-1:3887   4.50    (#   3887:20  Double Ambig)
 &rst
  ixpk= 3887, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 898, 899, 419, 420,
 igr2= 280, 281, 425, 426,
 &end
#
#    0 AMB  20-2:3888    24 ARG  HD-         3.50    (#   3888:20  Single Ambig)
 &rst
  ixpk= 3888, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 419, 420, 422, 423,
 igr2= 425, 426,
 &end
#
#    0 AMB  20-2:3889     0 AMB  20-1:3889   3.50    (#   3889:20  Double Ambig)
 &rst
  ixpk= 3889, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr1= 562, 563, 422, 423, 277, 278, 277, 278,
 igr2= 425, 426, 280, 281,
 &end
#
#    0 AMB  20-2:3890     0 AMB  20-1:3890   3.50    (#   3890:20  Double Ambig)
 &rst
  ixpk= 3890, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 419, 420, 422, 423,
 igr2= 425, 426, 425, 426,
 &end
#
#    0 AMB  20-2:3891     0 AMB  20-1:3891   3.50    (#   3891:20  Double Ambig)
 &rst
  ixpk= 3891, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.00, r4= 7.50,
 igr1= 562, 563, 422, 423, 277, 278, 277, 278,
 igr2= 425, 426, 425, 426, 280, 281, 280, 281,
 &end
#
#    0 AMB  20-2:3892     0 AMB  20-1:3892   6.00    (#   3892:20  Double Ambig)
 &rst
  ixpk= 3892, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 184, 185, 402, 403, 404,
 igr2= 280, 281, 425, 426,
 &end
#
#    0 AMB  20-2:3893     0 AMB  20-1:3893   6.00    (#   3893:20  Double Ambig)
 &rst
  ixpk= 3893, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 184, 185, 402, 403, 404,
 igr2= 280, 281, 425, 426,
 &end
#
#   20 VAL  MGY          16 ARG  HD-         6.00    (#   3894:20  Unique         2.05, 5.83 A)
 &rst
  ixpk= 3894, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 280, 281,
 &end
#
#   20 VAL  MGY          16 ARG  HD+         6.00    (#   3895:20  Unique         2.05, 5.83 A)
 &rst
  ixpk= 3895, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 280, 281,
 &end
#
#    0 AMB  20-2:3903     0 AMB  20-1:3903   6.00    (#   3903:20  Double Ambig)
 &rst
  ixpk= 3903, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 734, 735, 734, 735,
 igr2= 743, 744, 743, 744,
 &end
#
#   42 LYS  HG-           0 AMB  20-1:3904   3.50    (#   3904:20  Single Ambig)
 &rst
  ixpk= 3904, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 737, 738,
 igr2= 743, 744, 743, 744,
 &end
#
#   27 HIS  HD2           0 AMB  20-1:3911   6.00    (#   3911:20  Single Ambig)
 &rst
  ixpk= 3911, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 530, 531, 530, 531,
 &end
#
#   62 GLU  HA            0 AMB  20-1:3912   6.00    (#   3912:20  Single Ambig)
 &rst
  ixpk= 3912, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1130,1131,1130,1131,
 &end
#
#   31 ILE  HA           56 ASP  HB-         8.00    (#   3923:20  Unique         3.83, 5.32 A)
 &rst
  ixpk= 3923, nxpk= 20, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 980, 981,
 &end
#
#   48 ASP  HA           48 ASP  HB-         2.80    (#   3924:20  Unique         2.30, 2.59 A)
 &rst
  ixpk= 3924, nxpk= 20, iat= 839,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 841, 842,
 &end
#
#   77 GLN  HB-          74 ASN  HB+         8.00    (#   3927:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 3927, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1346,1347,
 igr2=1308,1309,
 &end
#
#   17 VAL  HA           13 PHE  HB+         8.00    (#   3928:20  Unique         6.82, 7.50 A)
 &rst
  ixpk= 3928, nxpk= 20, iat= 296,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 222, 223,
 &end
#
#  116 GLN  HE2+        119 PHE  HB+         8.00    (#   3929:20  Unique         2.52, 5.95 A)
 &rst
  ixpk= 3929, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1950,1951,
 igr2=1988,1989,
 &end
#
#    0 AMB  20-2:3930     0 AMB  20-1:3930   6.00    (#   3930:20  Double Ambig)
 &rst
  ixpk= 3930, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 719, 720, 719, 720,
 igr2=1988,1989, 669, 670,
 &end
#
#    0 AMB  20-2:3931     0 AMB  20-1:3931   8.00    (#   3931:20  Double Ambig)
 &rst
  ixpk= 3931, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1= 719, 720, 242, 243,1807,1808,
 igr2= 669, 670, 222, 223,1846,1847,
 &end
#
#    0 AMB  20-2:3932     0 AMB  20-1:3932   6.00    (#   3932:20  Double Ambig)
 &rst
  ixpk= 3932, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1884, 630, 631,
 igr2= 669, 670, 101, 102,
 &end
#
#    0 AMB  20-2:3933     0 AMB  20-1:3933   8.00    (#   3933:20  Double Ambig)
 &rst
  ixpk= 3933, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.79, r4=15.29,
 igr1= 163, 164,1724,1725, 121, 122, 121, 122, 124, 125,
      
 igr2= 101, 102,1846,1847,
 &end
#
#    0 AMB  20-2:3935    38 TYR  HB-         6.00    (#   3935:20  Single Ambig)
 &rst
  ixpk= 3935, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 719, 720,1900,1901,
 igr2= 669, 670,
 &end
#
#   52 PHE  HE           35 ILE  HB          8.00    (#   3937:20  Unique         1.89, 4.94 A)
 &rst
  ixpk= 3937, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 917, 921,
 &end
#
#  100 GLU  HA           99 TYR  HB+         8.00    (#   3938:20  Unique         4.42, 5.13 A)
 &rst
  ixpk= 3938, nxpk= 20, iat=1696,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1677,1678,
 &end
#
#   32 PRO  HD-          99 TYR  HB+         6.00    (#   3939:20  Unique         4.58, 6.49 A)
 &rst
  ixpk= 3939, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 559, 560,
 igr2=1677,1678,
 &end
#
#   24 ARG  HN           23 ILE  HB          6.00    (#   3945:20  Unique         3.63, 3.69 A)
 &rst
  ixpk= 3945, nxpk= 20, iat= 415, 400, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:3948    23 ILE  HB          6.00    (#   3948:20  Single Ambig)
 &rst
  ixpk= 3948, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2133, 466, 467,
 &end
#
#    0 AMB  20-2:3949    23 ILE  HB          6.00    (#   3949:20  Single Ambig)
 &rst
  ixpk= 3949, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 339, 329, 330, 329, 330,
 &end
#
#    0 AMB  20-2:3950     0 AMB  20-1:3950   6.00    (#   3950:20  Double Ambig)
 &rst
  ixpk= 3950, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 521, 522, 521, 522,
 igr2= 543, 400,
 &end
#
#   23 ILE  HG1+         23 ILE  HB          6.00    (#   3951:20  Unique         2.21, 2.60 A)
 &rst
  ixpk= 3951, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 406, 407,
 &end
#
#    0 AMB  20-2:3952    23 ILE  HB          8.00    (#   3952:20  Single Ambig)
 &rst
  ixpk= 3952, nxpk= 20, iat=  -1, 400, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942, 343, 344, 345, 347,
       348, 349,
 &end
#
#    0 AMB  20-2:3953     0 AMB  20-1:3953   6.00    (#   3953:20  Double Ambig)
 &rst
  ixpk= 3953, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1040,1041,1083,1084,1083,1084,
 igr2=1102,1143,
 &end
#
#   66 ILE  HG1-         66 ILE  HB          3.50    (#   3954:20  Unique         2.21, 2.48 A)
 &rst
  ixpk= 3954, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1149,1150,
 &end
#
#  102 GLU  HB-          84 ASN  HB+         8.00    (#   3955:20  Unique         2.91, 4.96 A)
 &rst
  ixpk= 3955, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1724,1725,
 igr2=1467,1468,
 &end
#
#    0 AMB  20-2:3956     0 AMB  20-1:3956   6.00    (#   3956:20  Double Ambig)
 &rst
  ixpk= 3956, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=1432,1433,1432,1433,1830,
 igr2=1867,1868,1867,1868,1867,1868,
 &end
#
#   59 ASN  HD2+         62 GLU  HG+         6.00    (#   3957:20  Unique         3.97, 5.75 A)
 &rst
  ixpk= 3957, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1031,1032,
 igr2=1071,1072,
 &end
#
#   62 GLU  HB-          62 GLU  HG+         3.50    (#   3958:20  Unique         2.20, 2.64 A)
 &rst
  ixpk= 3958, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1068,1069,
 igr2=1071,1072,
 &end
#
#   22 LEU  HN            0 AMB  20-1:3960   8.00    (#   3960:20  Single Ambig)
 &rst
  ixpk= 3960, nxpk= 20, iat= 377,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:3961     0 AMB  20-1:3961   6.00    (#   3961:20  Double Ambig)
 &rst
  ixpk= 3961, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 240,1270, 355,
 igr2= 317, 318, 317, 318,1349,1350,
 &end
#
#   15 GLN  HA            0 AMB  20-1:3962   6.00    (#   3962:20  Single Ambig)
 &rst
  ixpk= 3962, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 317, 318, 317, 318, 260, 261,
 &end
#
#    5 LYS  HA            0 AMB  20-1:3963   6.00    (#   3963:20  Single Ambig)
 &rst
  ixpk= 3963, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 146, 147, 146, 147,
 &end
#
#    0 AMB  20-2:3964     0 AMB  20-1:3964   6.00    (#   3964:20  Double Ambig)
 &rst
  ixpk= 3964, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1308,1309,1467,1468,
 igr2=1349,1350,1727,1728,
 &end
#
#    0 AMB  20-2:3966     0 AMB  20-1:3966   4.50    (#   3966:20  Double Ambig)
 &rst
  ixpk= 3966, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 257, 258, 357, 358,
 igr2= 260, 261, 317, 318, 317, 318,
 &end
#
#   73 LEU  HB+          77 GLN  HG-         6.00    (#   3968:20  Unique         1.93, 3.84 A)
 &rst
  ixpk= 3968, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1289,1290,
 igr2=1349,1350,
 &end
#
#   22 LEU  MDX           0 AMB  20-1:3969   3.50    (#   3969:20  Single Ambig)
 &rst
  ixpk= 3969, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 317, 318, 317, 318,
 &end
#
#    5 LYS  HG-           0 AMB  20-1:3970   2.80    (#   3970:20  Single Ambig)
 &rst
  ixpk= 3970, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  68,  69,
 igr2=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:3972     0 AMB  20-1:3972   6.00    (#   3972:20  Double Ambig)
 &rst
  ixpk= 3972, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.00, r4=12.50,
 igr1=1205,1206,1229,1230,1229,1230,1229,1230,
 igr2=1275,1276,1275,1276,1275,1276,1275,1276,
 &end
#
#  102 GLU  HB-         102 GLU  HG-         3.50    (#   3973:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 3973, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1724,1725,
 igr2=1727,1728,
 &end
#
#   83 VAL  MGY         102 GLU  HG-         2.80    (#   3975:20  Unique         2.07, 5.16 A)
 &rst
  ixpk= 3975, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1453,1454,1455,1457,1458,1459,
 igr2=1727,1728,
 &end
#
#   25 GLU  HN           26 GLN  HG+         6.00    (#   3978:20  Unique         3.41, 4.69 A)
 &rst
  ixpk= 3978, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 461, 462,
 &end
#
#   26 GLN  HE2-         26 GLN  HG+         6.00    (#   3979:20  Unique         2.16, 3.22 A)
 &rst
  ixpk= 3979, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 466, 467,
 igr2= 461, 462,
 &end
#
#   27 HIS  HD2          26 GLN  HG+         8.00    (#   3980:20  Unique         1.91, 3.81 A)
 &rst
  ixpk= 3980, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 461, 462,
 &end
#
#    0 AMB  20-2:3982     0 AMB  20-1:3982   3.50    (#   3982:20  Double Ambig)
 &rst
  ixpk= 3982, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,
 igr1= 804,1635,1636,1635,1636,
 igr2= 806,1605,1606,
 &end
#
#  102 GLU  HN          102 GLU  HB-         4.50    (#   3985:20  Unique         2.36, 3.15 A)
 &rst
  ixpk= 3985, nxpk= 20, iat=1720,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1724,1725,
 &end
#
#   84 ASN  HD2-        102 GLU  HB-         6.00    (#   3988:20  Unique         2.21, 5.63 A)
 &rst
  ixpk= 3988, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1472,1473,
 igr2=1724,1725,
 &end
#
#  102 GLU  HA          102 GLU  HB-         6.00    (#   3989:20  Unique         2.36, 2.74 A)
 &rst
  ixpk= 3989, nxpk= 20, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1724,1725,
 &end
#
#    0 AMB  20-2:3990   102 GLU  HB-         6.00    (#   3990:20  Single Ambig)
 &rst
  ixpk= 3990, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1713,1714,1713,1714,
 igr2=1724,1725,
 &end
#
#   84 ASN  HB-         102 GLU  HB-         6.00    (#   3991:20  Unique         2.91, 4.96 A)
 &rst
  ixpk= 3991, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1467,1468,
 igr2=1724,1725,
 &end
#
#  102 GLU  HG+         102 GLU  HB-         3.50    (#   3992:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 3992, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1727,1728,
 igr2=1724,1725,
 &end
#
#   30 LYS  HA           57 HIS  HB+         8.00    (#   4002:20  Unique         6.02, 6.71 A)
 &rst
  ixpk= 4002, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 992, 993,
 &end
#
#   30 LYS  HA           57 HIS  HB-         8.00    (#   4003:20  Unique         6.02, 6.71 A)
 &rst
  ixpk= 4003, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 992, 993,
 &end
#
#   57 HIS  HA           57 HIS  HB-         4.50    (#   4004:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 4004, nxpk= 20, iat= 990,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 992, 993,
 &end
#
#   29 THR  HA           57 HIS  HB-         8.00    (#   4005:20  Unique         6.12, 7.06 A)
 &rst
  ixpk= 4005, nxpk= 20, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 992, 993,
 &end
#
#   29 THR  HA           57 HIS  HB+         8.00    (#   4006:20  Unique         6.12, 7.06 A)
 &rst
  ixpk= 4006, nxpk= 20, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 992, 993,
 &end
#
#   99 TYR  HN          109 LEU  MDX         6.00    (#   4016:20  Unique         2.48, 4.81 A)
 &rst
  ixpk= 4016, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  109 LEU  HN          109 LEU  MDX         8.00    (#   4017:20  Unique         3.84, 5.17 A)
 &rst
  ixpk= 4017, nxpk= 20, iat=1823,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  109 LEU  HA          109 LEU  MDX         6.00    (#   4019:20  Unique         1.66, 3.53 A)
 &rst
  ixpk= 4019, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HB+         109 LEU  MDX         6.00    (#   4021:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 4021, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1677,1678,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HB-         109 LEU  MDX         6.00    (#   4022:20  Unique         1.99, 4.71 A)
 &rst
  ixpk= 4022, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1677,1678,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4023   109 LEU  MDX         6.00    (#   4023:20  Single Ambig)
 &rst
  ixpk= 4023, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1870,1871,1870,1871,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4024   109 LEU  MDX         4.50    (#   4024:20  Single Ambig)
 &rst
  ixpk= 4024, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1724,1725,1827,1828,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   98 VAL  HB          109 LEU  MDX         6.00    (#   4025:20  Unique         2.24, 4.57 A)
 &rst
  ixpk= 4025, nxpk= 20, iat=1661,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4026   109 LEU  MDX         4.50    (#   4026:20  Single Ambig)
 &rst
  ixpk= 4026, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1867,1868,1867,1868,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  111 MET  ME          109 LEU  MDX         2.80    (#   4027:20  Unique         2.01, 5.44 A)
 &rst
  ixpk= 4027, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1874,1875,1876,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  102 GLU  HB-         109 LEU  MDX         6.00    (#   4028:20  Unique         1.61, 4.03 A)
 &rst
  ixpk= 4028, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1724,1725,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4029   109 LEU  MDX         2.80    (#   4029:20  Single Ambig)
 &rst
  ixpk= 4029, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1827,1828,1830,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   95 ILE  HG1-        109 LEU  MDX         3.50    (#   4030:20  Unique         2.00, 5.22 A)
 &rst
  ixpk= 4030, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1622,1623,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   95 ILE  HG1+        109 LEU  MDX         3.50    (#   4031:20  Unique         2.00, 5.22 A)
 &rst
  ixpk= 4031, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1622,1623,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   31 ILE  QG2         109 LEU  MDX         4.50    (#   4033:20  Unique         2.09, 5.51 A)
 &rst
  ixpk= 4033, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 545, 546, 547,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   60 MET  HA           63 LEU  MDX         6.00    (#   4034:20  Unique         1.93, 3.66 A)
 &rst
  ixpk= 4034, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   64 ILE  HN           63 LEU  MDX         6.00    (#   4035:20  Unique         2.07, 4.24 A)
 &rst
  ixpk= 4035, nxpk= 20, iat=1098,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   64 ILE  HA           63 LEU  MDX         8.00    (#   4036:20  Unique         2.38, 5.26 A)
 &rst
  ixpk= 4036, nxpk= 20, iat=1100,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:4037    63 LEU  MDX         8.00    (#   4037:20  Single Ambig)
 &rst
  ixpk= 4037, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1071,1072,1870,1871,1870,1871,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:4038    63 LEU  MDX         6.00    (#   4038:20  Single Ambig)
 &rst
  ixpk= 4038, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1040,1041,1071,1072,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#  111 MET  ME           63 LEU  MDX         3.50    (#   4039:20  Unique         1.99, 4.87 A)
 &rst
  ixpk= 4039, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1874,1875,1876,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:4040    63 LEU  MDX         6.00    (#   4040:20  Single Ambig)
 &rst
  ixpk= 4040, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1413,1414,2179,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   63 LEU  HG           63 LEU  MDX         2.80    (#   4041:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 4041, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  20-2:4042    63 LEU  MDX         3.50    (#   4042:20  Single Ambig)
 &rst
  ixpk= 4042, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1168,1169,1083,1084,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   73 LEU  HN           73 LEU  MDX         6.00    (#   4047:20  Unique         1.62, 4.32 A)
 &rst
  ixpk= 4047, nxpk= 20, iat=1285,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   79 PHE  HE           73 LEU  MDX         6.00    (#   4048:20  Unique         3.28, 6.60 A)
 &rst
  ixpk= 4048, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1379,1383,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   73 LEU  HA           73 LEU  MDX         6.00    (#   4050:20  Unique         2.19, 4.07 A)
 &rst
  ixpk= 4050, nxpk= 20, iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   79 PHE  HB-          73 LEU  MDX         8.00    (#   4051:20  Unique         1.58, 4.22 A)
 &rst
  ixpk= 4051, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1373,1374,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   77 GLN  HG+          73 LEU  MDX         6.00    (#   4052:20  Unique         1.56, 4.36 A)
 &rst
  ixpk= 4052, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1349,1350,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:4053    73 LEU  MDX         8.00    (#   4053:20  Single Ambig)
 &rst
  ixpk= 4053, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1= 792, 793,1346,1347,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  20-2:4054    73 LEU  MDX         6.00    (#   4054:20  Single Ambig)
 &rst
  ixpk= 4054, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1346,1347, 822, 823, 795, 796,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   73 LEU  HB-          73 LEU  MDX         2.80    (#   4055:20  Unique         2.33, 3.25 A)
 &rst
  ixpk= 4055, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1289,1290,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   71 LEU  MDX          73 LEU  MDX         4.50    (#   4058:20  Unique         1.72, 7.10 A)
 &rst
  ixpk= 4058, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   86 HIS  HA            0 AMB  20-1:4061   6.00    (#   4061:20  Single Ambig)
 &rst
  ixpk= 4061, nxpk= 20, iat=1486,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   82 LEU  HA           82 LEU  MDY         4.50    (#   4062:20  Unique         1.95, 4.19 A)
 &rst
  ixpk= 4062, nxpk= 20, iat=1430,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#    0 AMB  20-2:4064    82 LEU  MDY         6.00    (#   4064:20  Single Ambig)
 &rst
  ixpk= 4064, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1506,1507,1506,1507,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#  117 GLU  HA           82 LEU  MDY         6.00    (#   4065:20  Unique         1.74, 3.82 A)
 &rst
  ixpk= 4065, nxpk= 20, iat=1957,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1437,1438,1439,1441,1442,1443,
 &end
#
#   30 LYS  HN           29 THR  MG2         6.00    (#   4066:20  Unique         4.87, 5.37 A)
 &rst
  ixpk= 4066, nxpk= 20, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 509, 510, 511,
 &end
#
#   27 HIS  HA           29 THR  MG2         6.00    (#   4068:20  Unique         4.50, 5.92 A)
 &rst
  ixpk= 4068, nxpk= 20, iat= 473,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 509, 510, 511,
 &end
#
#   28 PRO  HD+          29 THR  MG2         6.00    (#   4069:20  Unique         3.38, 5.64 A)
 &rst
  ixpk= 4069, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491,
 igr2= 509, 510, 511,
 &end
#
#   37 ARG  HD-          46 VAL  MGX         6.00    (#   4073:20  Unique         1.82, 6.38 A)
 &rst
  ixpk= 4073, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 651, 652,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   32 PRO  HG+          23 ILE  QG2         8.00    (#   4080:20  Unique         4.23, 5.98 A)
 &rst
  ixpk= 4080, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 562, 563,
 igr2= 402, 403, 404,
 &end
#
#   32 PRO  HB+          23 ILE  QG2         6.00    (#   4081:20  Unique         3.43, 5.47 A)
 &rst
  ixpk= 4081, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 565, 566,
 igr2= 402, 403, 404,
 &end
#
#    0 AMB  20-2:4082    23 ILE  QG2         2.80    (#   4082:20  Single Ambig)
 &rst
  ixpk= 4082, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 400, 565, 566,
 igr2= 402, 403, 404,
 &end
#
#  111 MET  HA          111 MET  ME          6.00    (#   4084:20  Unique         4.89, 5.57 A)
 &rst
  ixpk= 4084, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1874,1875,1876,
 &end
#
#   35 ILE  HA          111 MET  ME          8.00    (#   4085:20  Unique         6.14, 7.15 A)
 &rst
  ixpk= 4085, nxpk= 20, iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1874,1875,1876,
 &end
#
#    0 AMB  20-2:4087   111 MET  ME          6.00    (#   4087:20  Single Ambig)
 &rst
  ixpk= 4087, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1520,1521,1520,1521,
 igr2=1874,1875,1876,
 &end
#
#    0 AMB  20-2:4088   111 MET  ME          2.80    (#   4088:20  Single Ambig)
 &rst
  ixpk= 4088, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1870,1871,1870,1871,
 igr2=1874,1875,1876,
 &end
#
#   88 MET  HA           60 MET  ME          6.00    (#   4092:20  Unique         4.76, 6.73 A)
 &rst
  ixpk= 4092, nxpk= 20, iat=1515,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1047,1048,1049,
 &end
#
#    0 AMB  20-2:4094    60 MET  ME          3.50    (#   4094:20  Single Ambig)
 &rst
  ixpk= 4094, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1043,1044,1043,1044,
 igr2=1047,1048,1049,
 &end
#
#    0 AMB  20-2:4095    60 MET  ME          3.50    (#   4095:20  Single Ambig)
 &rst
  ixpk= 4095, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1520,1521,1520,1521,
 igr2=1047,1048,1049,
 &end
#
#   63 LEU  HG           60 MET  ME          4.50    (#   4097:20  Unique         3.03, 4.75 A)
 &rst
  ixpk= 4097, nxpk= 20, iat=1086,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1047,1048,1049,
 &end
#
#   63 LEU  MDY          60 MET  ME          3.50    (#   4098:20  Unique         1.86, 4.48 A)
 &rst
  ixpk= 4098, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2=1047,1048,1049,
 &end
#
#   31 ILE  HN           30 LYS  HB+         8.00    (#   4100:20  Unique         2.18, 3.40 A)
 &rst
  ixpk= 4100, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 521, 522,
 &end
#
#   30 LYS  HN           30 LYS  HB+         6.00    (#   4101:20  Unique         2.45, 3.06 A)
 &rst
  ixpk= 4101, nxpk= 20, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 521, 522,
 &end
#
#   30 LYS  HA           30 LYS  HB-         6.00    (#   4102:20  Unique         2.24, 2.80 A)
 &rst
  ixpk= 4102, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 521, 522,
 &end
#
#   31 ILE  HN           31 ILE  QD1         6.00    (#   4106:20  Unique         3.89, 5.09 A)
 &rst
  ixpk= 4106, nxpk= 20, iat= 539,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 552, 553, 554,
 &end
#
#   99 TYR  HN           31 ILE  QD1         6.00    (#   4107:20  Unique         4.02, 5.65 A)
 &rst
  ixpk= 4107, nxpk= 20, iat=1673,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 552, 553, 554,
 &end
#
#   96 SER  HN           31 ILE  QD1         8.00    (#   4109:20  Unique         3.72, 5.67 A)
 &rst
  ixpk= 4109, nxpk= 20, iat=1631,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:4110    31 ILE  QD1         8.00    (#   4110:20  Single Ambig)
 &rst
  ixpk= 4110, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 988, 517,
 igr2= 552, 553, 554,
 &end
#
#    0 AMB  20-2:4111    31 ILE  QD1         6.00    (#   4111:20  Single Ambig)
 &rst
  ixpk= 4111, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1830,1827,1828, 524, 525,
 igr2= 552, 553, 554,
 &end
#
#   42 LYS  HB+          42 LYS  HA          8.00    (#   4112:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 4112, nxpk= 20, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 734, 735,
 &end
#
#    0 AMB  20-2:4113    42 LYS  HA          8.00    (#   4113:20  Single Ambig)
 &rst
  ixpk= 4113, nxpk= 20, iat=  -1, 732, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 740, 741, 734, 735,
 &end
#
#   42 LYS  HG-          42 LYS  HA          8.00    (#   4114:20  Unique         2.03, 3.00 A)
 &rst
  ixpk= 4114, nxpk= 20, iat=  -1, 732, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 737, 738,
 &end
#
#   98 VAL  HN           98 VAL  MGY         2.80    (#   4115:20  Unique         1.86, 3.73 A)
 &rst
  ixpk= 4115, nxpk= 20, iat=1657,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   97 GLU  HN           98 VAL  MGY         4.50    (#   4116:20  Unique         4.09, 6.33 A)
 &rst
  ixpk= 4116, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   83 VAL  HA           98 VAL  MGY         6.00    (#   4119:20  Unique         4.74, 6.49 A)
 &rst
  ixpk= 4119, nxpk= 20, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:4120    98 VAL  MGY         3.50    (#   4120:20  Single Ambig)
 &rst
  ixpk= 4120, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1724,1725,1649,1650,1827,1828,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:4121    98 VAL  MGY         6.00    (#   4121:20  Single Ambig)
 &rst
  ixpk= 4121, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1870,1871,1870,1871,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:4122    98 VAL  MGY         4.50    (#   4122:20  Single Ambig)
 &rst
  ixpk= 4122, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1451,1047,1048,1049,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   93 THR  MG2          98 VAL  MGY         2.80    (#   4125:20  Unique         2.90, 5.74 A)
 &rst
  ixpk= 4125, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1590,1591,1592,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  20-2:4127    98 VAL  MGY         2.80    (#   4127:20  Single Ambig)
 &rst
  ixpk= 4127, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.11, r4= 6.61,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1832,1833,1834,1836,1837,1838,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   74 ASN  HN           68 ARG  HD+         6.00    (#   4130:20  Unique         3.53, 6.31 A)
 &rst
  ixpk= 4130, nxpk= 20, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1187,1188,
 &end
#
#  107 GLY  HN          107 GLY  HA-         3.50    (#   4131:20  Unique         2.30, 2.65 A)
 &rst
  ixpk= 4131, nxpk= 20, iat=1796,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1798,1799,
 &end
#
#   20 VAL  MGX         107 GLY  HA-         6.00    (#   4137:20  Unique         2.51, 5.86 A)
 &rst
  ixpk= 4137, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2=1798,1799,
 &end
#
#  109 LEU  HN          108 PHE  HA          8.00    (#   4141:20  Unique         2.19, 2.76 A)
 &rst
  ixpk= 4141, nxpk= 20, iat=1823,1805, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   29 THR  MG2          29 THR  HA          6.00    (#   4142:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 4142, nxpk= 20, iat=  -1, 505, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 509, 510, 511,
 &end
#
#   10 ARG  HN           10 ARG  HG+         8.00    (#   4145:20  Unique         1.74, 2.51 A)
 &rst
  ixpk= 4145, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 163, 164,
 &end
#
#    0 AMB  20-2:4152     0 AMB  20-1:4152   6.00    (#   4152:20  Double Ambig)
 &rst
  ixpk= 4152, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 377, 353,
 igr2= 363, 364, 363, 364,
 &end
#
#   21 ARG  HE           21 ARG  HD+         6.00    (#   4153:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 4153, nxpk= 20, iat= 366,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   21 ARG  HA           21 ARG  HD+         6.00    (#   4155:20  Unique         2.38, 3.72 A)
 &rst
  ixpk= 4155, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   21 ARG  HB+          21 ARG  HD+         6.00    (#   4159:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 4159, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 357, 358,
 igr2= 363, 364,
 &end
#
#   21 ARG  HG+          21 ARG  HD+         3.50    (#   4160:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 4160, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 360, 361,
 igr2= 363, 364,
 &end
#
#   17 VAL  MGX          21 ARG  HD+         6.00    (#   4161:20  Unique         3.91, 7.30 A)
 &rst
  ixpk= 4161, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 300, 301, 302, 304, 305, 306,
 igr2= 363, 364,
 &end
#
#   30 LYS  HA           30 LYS  HB+         6.00    (#   4162:20  Unique         2.24, 2.80 A)
 &rst
  ixpk= 4162, nxpk= 20, iat= 519,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 521, 522,
 &end
#
#   55 PRO  HA           30 LYS  HB+         8.00    (#   4163:20  Unique         2.24, 4.16 A)
 &rst
  ixpk= 4163, nxpk= 20, iat= 972,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 521, 522,
 &end
#
#    0 AMB  20-2:4164     0 AMB  20-1:4164   6.00    (#   4164:20  Double Ambig)
 &rst
  ixpk= 4164, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 530, 531, 530, 531, 475, 476,
 igr2= 521, 522, 521, 522, 521, 522,
 &end
#
#    0 AMB  20-2:4165     0 AMB  20-1:4165   8.00    (#   4165:20  Double Ambig)
 &rst
  ixpk= 4165, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1393,1394, 980, 981,
 igr2=1962,1963, 521, 522,
 &end
#
#    0 AMB  20-2:4166     0 AMB  20-1:4166   6.00    (#   4166:20  Double Ambig)
 &rst
  ixpk= 4166, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1942,1943, 419, 420,
 igr2=1962,1963, 521, 522,
 &end
#
#   53 LEU  MDY          30 LYS  HB+         6.00    (#   4167:20  Unique         1.91, 5.47 A)
 &rst
  ixpk= 4167, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 521, 522,
 &end
#
#   23 ILE  HB           23 ILE  HG1-        6.00    (#   4181:20  Unique         2.21, 2.60 A)
 &rst
  ixpk= 4181, nxpk= 20, iat= 400,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 406, 407,
 &end
#
#   23 ILE  QD1          23 ILE  HG1-        6.00    (#   4182:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 4182, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 409, 410, 411,
 igr2= 406, 407,
 &end
#
#   65 LYS  HN           64 ILE  QD1         8.00    (#   4187:20  Unique         4.45, 5.57 A)
 &rst
  ixpk= 4187, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1111,1112,1113,
 &end
#
#   90 SER  HA           64 ILE  QD1         8.00    (#   4189:20  Unique         5.13, 6.70 A)
 &rst
  ixpk= 4189, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1111,1112,1113,
 &end
#
#   81 LEU  MDX          64 ILE  QD1         3.50    (#   4191:20  Unique         3.05, 6.16 A)
 &rst
  ixpk= 4191, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1111,1112,1113,
 &end
#
#    0 AMB  20-2:4192   109 LEU  MDX         6.00    (#   4192:20  Single Ambig)
 &rst
  ixpk= 4192, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1867,1868,1867,1868,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  113 TYR  HA           81 LEU  MDY         6.00    (#   4194:20  Unique         2.29, 5.06 A)
 &rst
  ixpk= 4194, nxpk= 20, iat=1898,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  20-2:4195     0 AMB  20-1:4195   4.50    (#   4195:20  Double Ambig)
 &rst
  ixpk= 4195, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1=1900,1901, 795, 796, 795, 796,
 igr2=1418,1419,1420,1422,1423,1424, 827, 828, 829, 831,
       832, 833, 827, 828, 829, 831, 832, 833,
 &end
#
#  109 LEU  HA          109 LEU  MDY         4.50    (#   4199:20  Unique         1.66, 3.53 A)
 &rst
  ixpk= 4199, nxpk= 20, iat=1825,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  103 LYS  HA          109 LEU  MDY         6.00    (#   4200:20  Unique         2.75, 5.63 A)
 &rst
  ixpk= 4200, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HA          109 LEU  MDY         4.50    (#   4201:20  Unique         1.60, 3.34 A)
 &rst
  ixpk= 4201, nxpk= 20, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4205   109 LEU  MDY         2.80    (#   4205:20  Single Ambig)
 &rst
  ixpk= 4205, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=1724,1725,1827,1828,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    3 SER  HN            1 MET  HB-         6.00    (#   4206:20  Unique         2.74, 4.74 A)
 &rst
  ixpk= 4206, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=   8,   9,
 &end
#
#    3 SER  HN            1 MET  HG+         8.00    (#   4209:20  Unique         2.16, 4.99 A)
 &rst
  ixpk= 4209, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  11,  12,
 &end
#
#    1 MET  HA            1 MET  HG-         6.00    (#   4210:20  Unique         2.15, 3.17 A)
 &rst
  ixpk= 4210, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:4213     0 AMB  20-1:4213   2.80    (#   4213:20  Double Ambig)
 &rst
  ixpk= 4213, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.48, r4= 5.98,
 igr1=1047,1048,1049,   8,   9,  50,  51,
 igr2=1520,1521,1520,1521,  11,  12,  11,  12,
 &end
#
#    0 AMB  20-2:4215     1 MET  HG-         3.50    (#   4215:20  Single Ambig)
 &rst
  ixpk= 4215, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=   8,   9,  50,  51,  28,  29,
 igr2=  11,  12,
 &end
#
#    0 AMB  20-2:4216     1 MET  HG-         3.50    (#   4216:20  Single Ambig)
 &rst
  ixpk= 4216, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=   8,   9,  50,  51,
 igr2=  11,  12,
 &end
#
#   60 MET  HN           94 PRO  HA          6.00    (#   4217:20  Unique         3.63, 4.25 A)
 &rst
  ixpk= 4217, nxpk= 20, iat=1036,1608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2 PRO  HB+           2 PRO  HA          4.50    (#   4219:20  Unique         2.31, 2.52 A)
 &rst
  ixpk= 4219, nxpk= 20, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  28,  29,
 &end
#
#    0 AMB  20-2:4220     2 PRO  HA          6.00    (#   4220:20  Single Ambig)
 &rst
  ixpk= 4220, nxpk= 20, iat=  -1,  31, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=   8,   9,  25,  26,2054,2055, 822, 823,
 &end
#
#    0 AMB  20-2:4221     0 AMB  20-1:4221   4.50    (#   4221:20  Double Ambig)
 &rst
  ixpk= 4221, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  31,2028,
 igr2=  28,  29,  28,  29,
 &end
#
#    2 PRO  HD-           2 PRO  HB+         8.00    (#   4222:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 4222, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=  22,  23,
 igr2=  28,  29,
 &end
#
#   61 SER  HA            0 AMB  20-1:4223   6.00    (#   4223:20  Single Ambig)
 &rst
  ixpk= 4223, nxpk= 20, iat=1055,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1121,1122,1121,1122,
 &end
#
#    0 AMB  20-2:4225     0 AMB  20-1:4225   4.50    (#   4225:20  Double Ambig)
 &rst
  ixpk= 4225, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.93, r4= 8.43,
 igr1=2054,2055,1040,1041,   8,   9,
 igr2=  28,  29,1561,  28,  29,
 &end
#
#   44 LEU  HN           44 LEU  HG          6.00    (#   4227:20  Unique         1.79, 2.05 A)
 &rst
  ixpk= 4227, nxpk= 20, iat= 769, 776, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 LEU  HA           47 LEU  HG          6.00    (#   4229:20  Unique         2.14, 3.34 A)
 &rst
  ixpk= 4229, nxpk= 20, iat= 820, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    2 PRO  HA            2 PRO  HG-         6.00    (#   4230:20  Unique         3.85, 3.93 A)
 &rst
  ixpk= 4230, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  25,  26,
 &end
#
#    2 PRO  HB+           2 PRO  HG-         4.50    (#   4231:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 4231, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  28,  29,
 igr2=  25,  26,
 &end
#
#    0 AMB  20-2:4232     0 AMB  20-1:4232   3.50    (#   4232:20  Double Ambig)
 &rst
  ixpk= 4232, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  28,  29, 756, 757,
 igr2=  25,  26, 776,
 &end
#
#    3 SER  HN            2 PRO  HD-         8.00    (#   4234:20  Unique         2.64, 4.59 A)
 &rst
  ixpk= 4234, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  22,  23,
 &end
#
#    2 PRO  HA            2 PRO  HD+         8.00    (#   4235:20  Unique         3.58, 3.83 A)
 &rst
  ixpk= 4235, nxpk= 20, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  22,  23,
 &end
#
#    3 SER  HN            3 SER  HA          8.00    (#   4238:20  Unique         2.80, 2.88 A)
 &rst
  ixpk= 4238, nxpk= 20, iat=  35,  37, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    3 SER  HB+           3 SER  HA          6.00    (#   4239:20  Unique         2.23, 2.68 A)
 &rst
  ixpk= 4239, nxpk= 20, iat=  -1,  37, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  39,  40,
 &end
#
#    3 SER  HN            3 SER  HB-         6.00    (#   4240:20  Unique         2.45, 3.34 A)
 &rst
  ixpk= 4240, nxpk= 20, iat=  35,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  39,  40,
 &end
#
#    0 AMB  20-2:4241     0 AMB  20-1:4241   6.00    (#   4241:20  Double Ambig)
 &rst
  ixpk= 4241, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1354,1355,  61,
 igr2=1931,1932,  39,  40,
 &end
#
#    0 AMB  20-2:4243     0 AMB  20-1:4243   2.80    (#   4243:20  Double Ambig)
 &rst
  ixpk= 4243, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1504,  37,
 igr2=1506,1507,1506,1507,  39,  40,
 &end
#
#    4 GLU  HN            4 GLU  HA          4.50    (#   4244:20  Unique         2.81, 2.87 A)
 &rst
  ixpk= 4244, nxpk= 20, iat=  46,  48, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  20-2:4245    41 GLU  HA          6.00    (#   4245:20  Single Ambig)
 &rst
  ixpk= 4245, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 669, 670, 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:4246     0 AMB  20-1:4246   6.00    (#   4246:20  Double Ambig)
 &rst
  ixpk= 4246, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 734, 735,  65,  66,  65,  66, 740, 741,
 igr2= 717,  48,
 &end
#
#    0 AMB  20-2:4247     0 AMB  20-1:4247   6.00    (#   4247:20  Double Ambig)
 &rst
  ixpk= 4247, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  71,  72, 737, 738,  68,  69,
 igr2=  48, 717,
 &end
#
#   60 MET  HN           60 MET  HB-         4.50    (#   4248:20  Unique         2.07, 2.98 A)
 &rst
  ixpk= 4248, nxpk= 20, iat=1036,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#   60 MET  HA           60 MET  HB-         4.50    (#   4249:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 4249, nxpk= 20, iat=1038,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:4250    60 MET  HB-         3.50    (#   4250:20  Single Ambig)
 &rst
  ixpk= 4250, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1043,1044,1043,1044,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:4251     4 GLU  HB-         2.80    (#   4251:20  Single Ambig)
 &rst
  ixpk= 4251, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=  53,  54, 143, 144,
 igr2=  50,  51,
 &end
#
#    0 AMB  20-2:4252    60 MET  HB-         3.50    (#   4252:20  Single Ambig)
 &rst
  ixpk= 4252, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:4253     0 AMB  20-1:4253   3.50    (#   4253:20  Double Ambig)
 &rst
  ixpk= 4253, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.77, r4= 6.27,
 igr1=1066,1713,1714,1713,1714,
 igr2=1071,1072,1649,1650,
 &end
#
#    0 AMB  20-2:4255     0 AMB  20-1:4255   2.80    (#   4255:20  Double Ambig)
 &rst
  ixpk= 4255, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  50,  51,1143,
 igr2=  53,  54,1071,1072,
 &end
#
#    0 AMB  20-2:4256    62 GLU  HG-         4.50    (#   4256:20  Single Ambig)
 &rst
  ixpk= 4256, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2=1071,1072,
 &end
#
#    5 LYS  HN            0 AMB  20-1:4258   4.50    (#   4258:20  Single Ambig)
 &rst
  ixpk= 4258, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  65,  66,  65,  66,
 &end
#
#   42 LYS  HN           42 LYS  HB-         6.00    (#   4259:20  Unique         2.25, 2.99 A)
 &rst
  ixpk= 4259, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 734, 735,
 &end
#
#   42 LYS  HA           42 LYS  HB-         4.50    (#   4260:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 4260, nxpk= 20, iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 734, 735,
 &end
#
#    0 AMB  20-2:4261     0 AMB  20-1:4261   8.00    (#   4261:20  Double Ambig)
 &rst
  ixpk= 4261, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.00, r4=16.50,
 igr1= 651, 652, 166, 167, 166, 167, 166, 167,
 igr2= 734, 735,  65,  66,  65,  66,  65,  66,
 &end
#
#   65 LYS  HA           65 LYS  HG-         6.00    (#   4263:20  Unique         2.07, 2.75 A)
 &rst
  ixpk= 4263, nxpk= 20, iat=1119,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1124,1125,
 &end
#
#   65 LYS  HG-           0 AMB  20-1:4267   3.50    (#   4267:20  Single Ambig)
 &rst
  ixpk= 4267, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1124,1125,
 igr2=1127,1128,1127,1128,
 &end
#
#    0 AMB  20-2:4269     0 AMB  20-1:4269   6.00    (#   4269:20  Double Ambig)
 &rst
  ixpk= 4269, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1068,1069,1068,1069,
 igr2=1127,1128,1127,1128,
 &end
#
#    5 LYS  HG-           5 LYS  HD+         3.50    (#   4270:20  Unique         2.23, 2.70 A)
 &rst
  ixpk= 4270, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=  68,  69,
 igr2=  71,  72,
 &end
#
#    0 AMB  20-2:4271     0 AMB  20-1:4271   6.00    (#   4271:20  Double Ambig)
 &rst
  ixpk= 4271, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 402, 403, 404,1104,1105,1106,
 igr2= 527, 528, 527, 528,1127,1128,1127,1128,
 &end
#
#    0 AMB  20-2:4272     0 AMB  20-1:4272   2.80    (#   4272:20  Double Ambig)
 &rst
  ixpk= 4272, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=1121,1122,1121,1122,2240,2241,2240,2241,
 igr2=1127,1128,1127,1128, 527, 528, 527, 528,
 &end
#
#   54 VAL  HA            0 AMB  20-1:4274   4.50    (#   4274:20  Single Ambig)
 &rst
  ixpk= 4274, nxpk= 20, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 530, 531, 530, 531,
 &end
#
#    0 AMB  20-2:4275     0 AMB  20-1:4275   4.50    (#   4275:20  Double Ambig)
 &rst
  ixpk= 4275, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.34, r4= 9.84,
 igr1=1121,1122,1121,1122,1121,1122,2145,2146,
 igr2=1130,1131,1130,1131,1130,1131, 530, 531, 530, 531,
      
 &end
#
#    0 AMB  20-2:4276     0 AMB  20-1:4276   2.80    (#   4276:20  Double Ambig)
 &rst
  ixpk= 4276, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1= 969, 970, 527, 528, 527, 528, 527, 528,1127,1128,
      1127,1128,1127,1128, 690, 691,
 igr2= 530, 531, 530, 531, 530, 531, 530, 531,1130,1131,
      1130,1131,1130,1131, 699, 700,
 &end
#
#    0 AMB  20-2:4277     0 AMB  20-1:4277   2.80    (#   4277:20  Double Ambig)
 &rst
  ixpk= 4277, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.75, r4= 7.25,
 igr1=  71,  72,  71,  72, 696, 697, 696, 697, 696, 697,
       521, 522, 521, 522,
 igr2=  74,  75,  74,  75, 699, 700, 699, 700, 699, 700,
       530, 531, 530, 531,
 &end
#
#    0 AMB  20-2:4278     0 AMB  20-1:4278   2.80    (#   4278:20  Double Ambig)
 &rst
  ixpk= 4278, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=  68,  69,1124,1125,
 igr2=  74,  75,  74,  75,1130,1131,1130,1131,
 &end
#
#    0 AMB  20-2:4279     0 AMB  20-1:4279   2.80    (#   4279:20  Double Ambig)
 &rst
  ixpk= 4279, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 693, 694, 693, 694,
 igr2= 699, 700, 699, 700,
 &end
#
#    5 LYS  HN            6 THR  MG2         8.00    (#   4280:20  Unique         6.46, 7.51 A)
 &rst
  ixpk= 4280, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=  89,  90,  91,
 &end
#
#    7 PHE  HA            6 THR  MG2         8.00    (#   4282:20  Unique         4.46, 5.70 A)
 &rst
  ixpk= 4282, nxpk= 20, iat=  99,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=  89,  90,  91,
 &end
#
#    7 PHE  HN            7 PHE  HA          6.00    (#   4283:20  Unique         2.80, 2.86 A)
 &rst
  ixpk= 4283, nxpk= 20, iat=  97,  99, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HN            7 PHE  HA          8.00    (#   4285:20  Unique         3.07, 3.70 A)
 &rst
  ixpk= 4285, nxpk= 20, iat= 156,  99, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    7 PHE  HD            7 PHE  HA          6.00    (#   4286:20  Unique         2.20, 3.99 A)
 &rst
  ixpk= 4286, nxpk= 20, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 105, 113,
 &end
#
#   21 ARG  HD+          21 ARG  HA          6.00    (#   4289:20  Unique         2.38, 3.72 A)
 &rst
  ixpk= 4289, nxpk= 20, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 363, 364,
 &end
#
#    8 LYS  HA            0 AMB  20-1:4290   6.00    (#   4290:20  Single Ambig)
 &rst
  ixpk= 4290, nxpk= 20, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 121, 122, 121, 122,
 &end
#
#    8 LYS  HE-           8 LYS  HG+         6.00    (#   4291:20  Unique         2.03, 3.12 A)
 &rst
  ixpk= 4291, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 130, 131,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:4296     0 AMB  20-1:4296   3.50    (#   4296:20  Double Ambig)
 &rst
  ixpk= 4296, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=  48,1644,
 igr2=  53,  54,1649,1650,
 &end
#
#   14 GLU  HN           12 THR  MG2         6.00    (#   4299:20  Unique         4.94, 5.42 A)
 &rst
  ixpk= 4299, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 210, 211, 212,
 &end
#
#   15 GLN  HN           12 THR  MG2         8.00    (#   4300:20  Unique         5.23, 6.08 A)
 &rst
  ixpk= 4300, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 210, 211, 212,
 &end
#
#   13 PHE  HB+          13 PHE  HA          6.00    (#   4302:20  Unique         2.34, 2.78 A)
 &rst
  ixpk= 4302, nxpk= 20, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#   14 GLU  HN           13 PHE  HB-         6.00    (#   4303:20  Unique         1.99, 3.04 A)
 &rst
  ixpk= 4303, nxpk= 20, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 222, 223,
 &end
#
#   17 VAL  HB           14 GLU  HA          2.80    (#   4307:20  Unique         2.74, 3.26 A)
 &rst
  ixpk= 4307, nxpk= 20, iat= 298, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   14 GLU  HG+          14 GLU  HB+         2.80    (#   4308:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 4308, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 245, 246,
 igr2= 242, 243,
 &end
#
#   14 GLU  HG-          14 GLU  HB+         2.80    (#   4309:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 4309, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 245, 246,
 igr2= 242, 243,
 &end
#
#   14 GLU  HG-          14 GLU  HB-         2.80    (#   4310:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 4310, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 245, 246,
 igr2= 242, 243,
 &end
#
#   21 ARG  HB-          18 GLU  HA          6.00    (#   4312:20  Unique         2.06, 2.84 A)
 &rst
  ixpk= 4312, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 357, 358,
 &end
#
#    0 AMB  20-2:4313    18 GLU  HA          6.00    (#   4313:20  Single Ambig)
 &rst
  ixpk= 4313, nxpk= 20, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 298, 384,
 &end
#
#   19 ASP  HN            0 AMB  20-1:4314   6.00    (#   4314:20  Single Ambig)
 &rst
  ixpk= 4314, nxpk= 20, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 317, 318, 317, 318,
 &end
#
#    0 AMB  20-2:4316    17 VAL  HA          8.00    (#   4316:20  Single Ambig)
 &rst
  ixpk= 4316, nxpk= 20, iat=  -1, 296, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 314, 315, 314, 315,
 &end
#
#   21 ARG  HD+          17 VAL  MGX         6.00    (#   4317:20  Unique         3.91, 7.30 A)
 &rst
  ixpk= 4317, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 363, 364,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   16 ARG  HN           17 VAL  MGY         6.00    (#   4319:20  Unique         4.44, 6.59 A)
 &rst
  ixpk= 4319, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#    0 AMB  20-2:4324    20 VAL  HA          6.00    (#   4324:20  Single Ambig)
 &rst
  ixpk= 4324, nxpk= 20, iat=  -1, 339, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396,2097,
 &end
#
#    0 AMB  20-2:4326     0 AMB  20-1:4326   8.00    (#   4326:20  Double Ambig)
 &rst
  ixpk= 4326, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1798,1799,1798,1799,2066,2067,2066,2067,
 igr2= 341, 565, 566,
 &end
#
#  108 PHE  HE           20 VAL  MGY         6.00    (#   4327:20  Unique         1.94, 5.57 A)
 &rst
  ixpk= 4327, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1813,1817,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   21 ARG  HG-          20 VAL  MGY         6.00    (#   4328:20  Unique         4.01, 7.02 A)
 &rst
  ixpk= 4328, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 360, 361,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  108 PHE  HB-          20 VAL  MGX         8.00    (#   4329:20  Unique         2.66, 5.49 A)
 &rst
  ixpk= 4329, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1807,1808,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   69 ARG  HN           69 ARG  HB-         3.50    (#   4330:20  Unique         2.10, 2.67 A)
 &rst
  ixpk= 4330, nxpk= 20, iat=1201,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1205,1206,
 &end
#
#   24 ARG  HN           21 ARG  HG+         8.00    (#   4331:20  Unique         5.41, 6.28 A)
 &rst
  ixpk= 4331, nxpk= 20, iat= 415,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 360, 361,
 &end
#
#   21 ARG  HA           21 ARG  HG+         4.50    (#   4333:20  Unique         2.03, 2.76 A)
 &rst
  ixpk= 4333, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 360, 361,
 &end
#
#   21 ARG  HA           21 ARG  HG-         6.00    (#   4334:20  Unique         2.03, 2.76 A)
 &rst
  ixpk= 4334, nxpk= 20, iat= 355,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 360, 361,
 &end
#
#   21 ARG  HB-          21 ARG  HG-         3.50    (#   4335:20  Unique         2.21, 2.64 A)
 &rst
  ixpk= 4335, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 357, 358,
 igr2= 360, 361,
 &end
#
#   22 LEU  MDX          21 ARG  HD+         6.00    (#   4338:20  Unique         3.91, 7.27 A)
 &rst
  ixpk= 4338, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 363, 364,
 &end
#
#    0 AMB  20-2:4339    22 LEU  HA          8.00    (#   4339:20  Single Ambig)
 &rst
  ixpk= 4339, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 446, 447, 461, 462,
 &end
#
#   22 LEU  HB+          22 LEU  HA          3.50    (#   4340:20  Unique         2.24, 2.43 A)
 &rst
  ixpk= 4340, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#    0 AMB  20-2:4341    22 LEU  HA          4.50    (#   4341:20  Single Ambig)
 &rst
  ixpk= 4341, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 384, 458, 459,
 &end
#
#   22 LEU  HB-          22 LEU  HA          2.80    (#   4342:20  Unique         2.24, 2.43 A)
 &rst
  ixpk= 4342, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 381, 382,
 &end
#
#   22 LEU  HN           22 LEU  MDY         6.00    (#   4345:20  Unique         1.40, 3.34 A)
 &rst
  ixpk= 4345, nxpk= 20, iat= 377,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  20-2:4346    22 LEU  MDY         2.80    (#   4346:20  Single Ambig)
 &rst
  ixpk= 4346, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 384, 400,
 igr2= 386, 387, 388, 390, 391, 392,
 &end
#
#   61 SER  HN           61 SER  HA          3.50    (#   4347:20  Unique         2.75, 2.78 A)
 &rst
  ixpk= 4347, nxpk= 20, iat=1053,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4349    23 ILE  QD1         2.80    (#   4349:20  Single Ambig)
 &rst
  ixpk= 4349, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 406, 407, 524, 525,
 igr2= 409, 410, 411,
 &end
#
#    0 AMB  20-2:4351     0 AMB  20-1:4351   2.80    (#   4351:20  Double Ambig)
 &rst
  ixpk= 4351, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1232,1233, 422, 423,
 igr2=1149,1150, 419, 420,
 &end
#
#    0 AMB  20-2:4352     0 AMB  20-1:4352   6.00    (#   4352:20  Double Ambig)
 &rst
  ixpk= 4352, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 270, 415,
 igr2= 277, 278, 277, 278, 422, 423,
 &end
#
#   99 TYR  HE           32 PRO  HG-         8.00    (#   4353:20  Unique         2.03, 5.43 A)
 &rst
  ixpk= 4353, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1683,1688,
 igr2= 562, 563,
 &end
#
#    0 AMB  20-2:4354     0 AMB  20-1:4354   4.50    (#   4354:20  Double Ambig)
 &rst
  ixpk= 4354, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 417, 220,
 igr2= 422, 423, 277, 278, 277, 278,
 &end
#
#   24 ARG  HB+          24 ARG  HG+         2.80    (#   4355:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 4355, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 419, 420,
 igr2= 422, 423,
 &end
#
#    0 AMB  20-2:4358     0 AMB  20-1:4358   2.80    (#   4358:20  Double Ambig)
 &rst
  ixpk= 4358, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 454,1657,1709,
 igr2= 443, 444, 443, 444,1646,1647,1646,1647,1698,1699,
      1698,1699,
 &end
#
#    0 AMB  20-2:4359     0 AMB  20-1:4359   2.80    (#   4359:20  Double Ambig)
 &rst
  ixpk= 4359, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 377, 353,
 igr2= 357, 358, 357, 358,
 &end
#
#   27 HIS  HD2          26 GLN  HB+         6.00    (#   4360:20  Unique         3.58, 5.74 A)
 &rst
  ixpk= 4360, nxpk= 20, iat= 485,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 458, 459,
 &end
#
#    0 AMB  20-2:4361     0 AMB  20-1:4361   4.50    (#   4361:20  Double Ambig)
 &rst
  ixpk= 4361, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.41, r4= 7.91,
 igr1= 355,  39,  40,  22,  23,
 igr2= 357, 358, 143, 144,
 &end
#
#   21 ARG  HD+          21 ARG  HB+         6.00    (#   4362:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 4362, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 363, 364,
 igr2= 357, 358,
 &end
#
#   21 ARG  HD-          21 ARG  HB+         6.00    (#   4363:20  Unique         2.01, 3.13 A)
 &rst
  ixpk= 4363, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 363, 364,
 igr2= 357, 358,
 &end
#
#   26 GLN  HG+          26 GLN  HB-         3.50    (#   4364:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 4364, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 461, 462,
 igr2= 458, 459,
 &end
#
#    0 AMB  20-2:4365    26 GLN  HB-         2.80    (#   4365:20  Single Ambig)
 &rst
  ixpk= 4365, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 461, 462, 443, 444,
 igr2= 458, 459,
 &end
#
#   22 LEU  MDY          21 ARG  HB+         6.00    (#   4367:20  Unique         2.24, 5.19 A)
 &rst
  ixpk= 4367, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 357, 358,
 &end
#
#   23 ILE  HA           26 GLN  HG-         6.00    (#   4368:20  Unique         1.97, 2.77 A)
 &rst
  ixpk= 4368, nxpk= 20, iat= 398,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 461, 462,
 &end
#
#   53 LEU  MDX          27 HIS  HB+         8.00    (#   4370:20  Unique         5.48, 7.76 A)
 &rst
  ixpk= 4370, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 475, 476,
 &end
#
#   53 LEU  MDX          27 HIS  HB-         8.00    (#   4371:20  Unique         5.48, 7.76 A)
 &rst
  ixpk= 4371, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 475, 476,
 &end
#
#   37 ARG  HD-          45 PRO  HB+         6.00    (#   4372:20  Unique         5.19, 6.99 A)
 &rst
  ixpk= 4372, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 795, 796,
 &end
#
#    0 AMB  20-2:4373    58 VAL  HB          2.80    (#   4373:20  Single Ambig)
 &rst
  ixpk= 4373, nxpk= 20, iat=  -1,1010, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
      2217,2218,1088,1089,1090,1092,1093,1094,
 &end
#
#   26 GLN  HG-           0 AMB  20-1:4376   6.00    (#   4376:20  Single Ambig)
 &rst
  ixpk= 4376, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 461, 462,
 igr2= 493, 494, 493, 494,
 &end
#
#   29 THR  HB           29 THR  MG2         2.80    (#   4379:20  Unique         2.45, 2.65 A)
 &rst
  ixpk= 4379, nxpk= 20, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 509, 510, 511,
 &end
#
#  118 THR  MG2         117 GLU  HG-         6.00    (#   4384:20  Unique         2.06, 4.33 A)
 &rst
  ixpk= 4384, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1976,1977,1978,
 igr2=1962,1963,
 &end
#
#    0 AMB  20-2:4385     0 AMB  20-1:4385   6.00    (#   4385:20  Double Ambig)
 &rst
  ixpk= 4385, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  50,  51,   8,   9,2240,2241,
 igr2=  68,  69,  68,  69, 524, 525,
 &end
#
#   53 LEU  HB-          30 LYS  HG+         4.50    (#   4386:20  Unique         2.11, 4.24 A)
 &rst
  ixpk= 4386, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 931, 932,
 igr2= 524, 525,
 &end
#
#   95 ILE  HN           95 ILE  HG1-        8.00    (#   4388:20  Unique         3.93, 4.41 A)
 &rst
  ixpk= 4388, nxpk= 20, iat=1612,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:4389     0 AMB  20-1:4389   8.00    (#   4389:20  Double Ambig)
 &rst
  ixpk= 4389, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 628, 948,
 igr2= 895, 896,1622,1623,
 &end
#
#   59 ASN  HB+          95 ILE  HG1+        8.00    (#   4390:20  Unique         6.93, 7.86 A)
 &rst
  ixpk= 4390, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1026,1027,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:4391     0 AMB  20-1:4391   4.50    (#   4391:20  Double Ambig)
 &rst
  ixpk= 4391, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1047,1048,1049, 950, 630, 631,
 igr2=1622,1623, 895, 896,
 &end
#
#    0 AMB  20-2:4392     0 AMB  20-1:4392   6.00    (#   4392:20  Double Ambig)
 &rst
  ixpk= 4392, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 950, 630, 631,
 igr2=1622,1623, 895, 896,
 &end
#
#    0 AMB  20-2:4393     0 AMB  20-1:4393   3.50    (#   4393:20  Double Ambig)
 &rst
  ixpk= 4393, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1616, 543,
 igr2=1622,1623,1622,1623,
 &end
#
#    0 AMB  20-2:4394    95 ILE  HG1-        3.50    (#   4394:20  Single Ambig)
 &rst
  ixpk= 4394, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1616, 543,
 igr2=1622,1623,
 &end
#
#    0 AMB  20-2:4400     0 AMB  20-1:4400   8.00    (#   4400:20  Double Ambig)
 &rst
  ixpk= 4400, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 568, 574,
 igr2= 562, 563, 422, 423,
 &end
#
#   31 ILE  QG2          33 VAL  MGY         3.50    (#   4401:20  Unique         1.78, 5.11 A)
 &rst
  ixpk= 4401, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 545, 546, 547,
 igr2= 578, 579, 580, 582, 583, 584,
 &end
#
#   34 ILE  QG2          34 ILE  HG1-        3.50    (#   4404:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 4404, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 594, 595, 596,
 igr2= 598, 599,
 &end
#
#   34 ILE  QG2          34 ILE  HG1+        6.00    (#   4405:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 4405, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 594, 595, 596,
 igr2= 598, 599,
 &end
#
#    0 AMB  20-2:4407    35 ILE  HB          3.50    (#   4407:20  Single Ambig)
 &rst
  ixpk= 4407, nxpk= 20, iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1418,1419,1420,1422,1423,1424, 578, 579, 580, 582,
       583, 584, 578, 579, 580, 582, 583, 584,
 &end
#
#   52 PHE  HB+          35 ILE  QG2         6.00    (#   4411:20  Unique         1.86, 4.07 A)
 &rst
  ixpk= 4411, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 911, 912,
 igr2= 613, 614, 615,
 &end
#
#   37 ARG  HN            0 AMB  20-1:4412   6.00    (#   4412:20  Single Ambig)
 &rst
  ixpk= 4412, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 633, 634, 633, 634,
 &end
#
#   37 ARG  HN           37 ARG  HB+         6.00    (#   4414:20  Unique         2.07, 2.80 A)
 &rst
  ixpk= 4414, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 645, 646,
 &end
#
#   37 ARG  HE           37 ARG  HB+         6.00    (#   4415:20  Unique         1.98, 3.73 A)
 &rst
  ixpk= 4415, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 645, 646,
 &end
#
#    1 MET  HA           10 ARG  HB+         6.00    (#   4416:20  Unique         1.99, 4.23 A)
 &rst
  ixpk= 4416, nxpk= 20, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#    0 AMB  20-2:4417    37 ARG  HB-         6.00    (#   4417:20  Single Ambig)
 &rst
  ixpk= 4417, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1919, 628,
 igr2= 645, 646,
 &end
#
#   37 ARG  HD+          37 ARG  HB+         6.00    (#   4418:20  Unique         2.02, 3.13 A)
 &rst
  ixpk= 4418, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:4419     0 AMB  20-1:4419   6.00    (#   4419:20  Double Ambig)
 &rst
  ixpk= 4419, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 651, 652, 643,
 igr2= 645, 646, 645, 646,
 &end
#
#   37 ARG  HG-          37 ARG  HB+         6.00    (#   4421:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 4421, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 648, 649,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:4422     0 AMB  20-1:4422   8.00    (#   4422:20  Double Ambig)
 &rst
  ixpk= 4422, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 722, 723, 756, 757,
 igr2= 648, 649, 648, 649,
 &end
#
#   37 ARG  HE           37 ARG  HG-         6.00    (#   4423:20  Unique         2.14, 3.28 A)
 &rst
  ixpk= 4423, nxpk= 20, iat= 654,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 648, 649,
 &end
#
#    0 AMB  20-2:4424    37 ARG  HG-         4.50    (#   4424:20  Single Ambig)
 &rst
  ixpk= 4424, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 643, 651, 652,
 igr2= 648, 649,
 &end
#
#    0 AMB  20-2:4425     0 AMB  20-1:4425   6.00    (#   4425:20  Double Ambig)
 &rst
  ixpk= 4425, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 651, 652, 101, 102,
 igr2= 648, 649, 187, 188,
 &end
#
#   75 ALA  HN           74 ASN  HB-         4.50    (#   4426:20  Unique         1.91, 3.18 A)
 &rst
  ixpk= 4426, nxpk= 20, iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1308,1309,
 &end
#
#   77 GLN  HG+          74 ASN  HB+         6.00    (#   4427:20  Unique         2.02, 5.56 A)
 &rst
  ixpk= 4427, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1308,1309,
 &end
#
#   77 GLN  HG+          74 ASN  HB-         6.00    (#   4428:20  Unique         2.02, 5.56 A)
 &rst
  ixpk= 4428, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1308,1309,
 &end
#
#   77 GLN  HG-          74 ASN  HB-         6.00    (#   4429:20  Unique         2.02, 5.56 A)
 &rst
  ixpk= 4429, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1308,1309,
 &end
#
#   77 GLN  HG-          74 ASN  HB+         6.00    (#   4430:20  Unique         2.02, 5.56 A)
 &rst
  ixpk= 4430, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1308,1309,
 &end
#
#   77 GLN  HB-          74 ASN  HB-         6.00    (#   4431:20  Unique         1.99, 4.08 A)
 &rst
  ixpk= 4431, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1346,1347,
 igr2=1308,1309,
 &end
#
#    0 AMB  20-2:4432     0 AMB  20-1:4432   4.50    (#   4432:20  Double Ambig)
 &rst
  ixpk= 4432, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 665, 117,
 igr2= 669, 670, 101, 102,
 &end
#
#   39 LYS  HN           38 TYR  HB+         8.00    (#   4433:20  Unique         3.16, 3.85 A)
 &rst
  ixpk= 4433, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 669, 670,
 &end
#
#   38 TYR  HA           38 TYR  HB+         3.50    (#   4434:20  Unique         2.29, 2.43 A)
 &rst
  ixpk= 4434, nxpk= 20, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 669, 670,
 &end
#
#   41 GLU  HN           39 LYS  HA          4.50    (#   4437:20  Unique         3.73, 4.29 A)
 &rst
  ixpk= 4437, nxpk= 20, iat= 715, 688, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ARG  HN           37 ARG  HB-         6.00    (#   4438:20  Unique         2.07, 2.80 A)
 &rst
  ixpk= 4438, nxpk= 20, iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 645, 646,
 &end
#
#   38 TYR  HN           37 ARG  HB-         6.00    (#   4439:20  Unique         2.78, 3.85 A)
 &rst
  ixpk= 4439, nxpk= 20, iat= 665,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 645, 646,
 &end
#
#   39 LYS  HN           39 LYS  HB-         4.50    (#   4440:20  Unique         2.08, 3.02 A)
 &rst
  ixpk= 4440, nxpk= 20, iat= 686,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 690, 691,
 &end
#
#    0 AMB  20-2:4443     0 AMB  20-1:4443   2.80    (#   4443:20  Double Ambig)
 &rst
  ixpk= 4443, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 690, 691, 696, 697, 696, 697,
 igr2= 693, 694, 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:4444    39 LYS  HG-         2.80    (#   4444:20  Single Ambig)
 &rst
  ixpk= 4444, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 690, 691, 696, 697, 696, 697,
 igr2= 693, 694,
 &end
#
#   42 LYS  HG-          41 GLU  HA          6.00    (#   4447:20  Unique         3.91, 5.06 A)
 &rst
  ixpk= 4447, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 737, 738,
 &end
#
#   43 GLN  HN           41 GLU  HG+         6.00    (#   4448:20  Unique         1.78, 2.69 A)
 &rst
  ixpk= 4448, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 722, 723,
 &end
#
#   42 LYS  HN           42 LYS  HB+         6.00    (#   4452:20  Unique         2.25, 2.99 A)
 &rst
  ixpk= 4452, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 734, 735,
 &end
#
#   43 GLN  HG-          42 LYS  HB+         6.00    (#   4453:20  Unique         5.19, 6.23 A)
 &rst
  ixpk= 4453, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 759, 760,
 igr2= 734, 735,
 &end
#
#   42 LYS  HG+          42 LYS  HB+         3.50    (#   4455:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 4455, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 737, 738,
 igr2= 734, 735,
 &end
#
#   42 LYS  HG-          42 LYS  HB+         3.50    (#   4456:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 4456, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 737, 738,
 igr2= 734, 735,
 &end
#
#   44 LEU  HN           43 GLN  HB+         6.00    (#   4458:20  Unique         1.88, 2.72 A)
 &rst
  ixpk= 4458, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 756, 757,
 &end
#
#   43 GLN  HN           43 GLN  HB-         4.50    (#   4459:20  Unique         2.29, 3.07 A)
 &rst
  ixpk= 4459, nxpk= 20, iat= 752,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 756, 757,
 &end
#
#    0 AMB  20-2:4460     0 AMB  20-1:4460   6.00    (#   4460:20  Double Ambig)
 &rst
  ixpk= 4460, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1472,1473,1811,1819,
 igr2=1724,1725, 565, 566,
 &end
#
#    0 AMB  20-2:4462     0 AMB  20-1:4462   6.00    (#   4462:20  Double Ambig)
 &rst
  ixpk= 4462, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.45, r4=12.95,
 igr1=1354,1355,1850,1859, 226, 234, 180,1694,
 igr2= 756, 757,1724,1725, 274, 275, 274, 275,1724,1725,
      
 &end
#
#   43 GLN  HA           43 GLN  HB-         3.50    (#   4463:20  Unique         2.25, 2.65 A)
 &rst
  ixpk= 4463, nxpk= 20, iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 756, 757,
 &end
#
#  114 ALA  HA           43 GLN  HB-         6.00    (#   4464:20  Unique         4.80, 6.22 A)
 &rst
  ixpk= 4464, nxpk= 20, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 756, 757,
 &end
#
#    0 AMB  20-2:4465     0 AMB  20-1:4465   8.00    (#   4465:20  Double Ambig)
 &rst
  ixpk= 4465, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1713,1714,1713,1714,
 igr2=1724,1725,1724,1725,
 &end
#
#   41 GLU  HG+          43 GLN  HB+         2.80    (#   4466:20  Unique         2.47, 4.03 A)
 &rst
  ixpk= 4466, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 722, 723,
 igr2= 756, 757,
 &end
#
#   43 GLN  HG-          43 GLN  HB-         2.80    (#   4467:20  Unique         2.20, 2.66 A)
 &rst
  ixpk= 4467, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 759, 760,
 igr2= 756, 757,
 &end
#
#    0 AMB  20-2:4470     0 AMB  20-1:4470   3.50    (#   4470:20  Double Ambig)
 &rst
  ixpk= 4470, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 776,1451,
 igr2= 756, 757,1724,1725,
 &end
#
#   20 VAL  MGY          16 ARG  HB+         8.00    (#   4471:20  Unique         4.26, 7.32 A)
 &rst
  ixpk= 4471, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 343, 344, 345, 347, 348, 349,
 igr2= 274, 275,
 &end
#
#    0 AMB  20-2:4472     0 AMB  20-1:4472   6.00    (#   4472:20  Double Ambig)
 &rst
  ixpk= 4472, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1931,1932, 717,
 igr2= 756, 757, 756, 757,
 &end
#
#   12 THR  HA           16 ARG  HB+         8.00    (#   4473:20  Unique         3.16, 4.59 A)
 &rst
  ixpk= 4473, nxpk= 20, iat= 206,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 274, 275,
 &end
#
#   44 LEU  HN           44 LEU  HB-         6.00    (#   4474:20  Unique         2.47, 3.11 A)
 &rst
  ixpk= 4474, nxpk= 20, iat= 769,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 773, 774,
 &end
#
#  114 ALA  MB          116 GLN  HG+         6.00    (#   4475:20  Unique         3.12, 5.31 A)
 &rst
  ixpk= 4475, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1921,1922,1923,
 igr2=1945,1946,
 &end
#
#   48 ASP  HN           46 VAL  MGY         6.00    (#   4476:20  Unique         3.26, 6.84 A)
 &rst
  ixpk= 4476, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#    0 AMB  20-2:4477    46 VAL  MGY         6.00    (#   4477:20  Single Ambig)
 &rst
  ixpk= 4477, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 818, 871,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#    0 AMB  20-2:4478     0 AMB  20-1:4478   6.00    (#   4478:20  Double Ambig)
 &rst
  ixpk= 4478, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 915, 923, 654,
 igr2= 952, 953, 954, 956, 957, 958, 808, 809, 810, 812,
       813, 814,
 &end
#
#   48 ASP  HN           47 LEU  HA          3.50    (#   4479:20  Unique         2.16, 2.69 A)
 &rst
  ixpk= 4479, nxpk= 20, iat= 837, 820, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 LEU  HN           47 LEU  HA          6.00    (#   4480:20  Unique         2.76, 2.86 A)
 &rst
  ixpk= 4480, nxpk= 20, iat= 818, 820, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ASP  HN           47 LEU  HG          8.00    (#   4482:20  Unique         1.83, 3.87 A)
 &rst
  ixpk= 4482, nxpk= 20, iat= 837, 825, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   47 LEU  HN           47 LEU  HG          6.00    (#   4483:20  Unique         1.93, 3.50 A)
 &rst
  ixpk= 4483, nxpk= 20, iat= 818, 825, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 LEU  HN           81 LEU  MDY         6.00    (#   4485:20  Unique         2.29, 4.97 A)
 &rst
  ixpk= 4485, nxpk= 20, iat=1428,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   47 LEU  HA            0 AMB  20-1:4488   3.50    (#   4488:20  Single Ambig)
 &rst
  ixpk= 4488, nxpk= 20, iat= 820,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#   48 ASP  HN           48 ASP  HB-         3.50    (#   4490:20  Unique         2.25, 3.24 A)
 &rst
  ixpk= 4490, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 841, 842,
 &end
#
#   49 LYS  HA           49 LYS  HD+         4.50    (#   4495:20  Unique         2.35, 4.39 A)
 &rst
  ixpk= 4495, nxpk= 20, iat= 851,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 859, 860,
 &end
#
#    0 AMB  20-2:4496     0 AMB  20-1:4496   4.50    (#   4496:20  Double Ambig)
 &rst
  ixpk= 4496, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1251,1227,
 igr2= 859, 860, 859, 860,
 &end
#
#    0 AMB  20-2:4499     0 AMB  20-1:4499   2.80    (#   4499:20  Double Ambig)
 &rst
  ixpk= 4499, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1229,1230,1229,1230,
 igr2= 859, 860, 859, 860,
 &end
#
#   51 LYS  HE-          51 LYS  HB+         6.00    (#   4505:20  Unique         1.95, 3.47 A)
 &rst
  ixpk= 4505, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 898, 899,
 igr2= 889, 890,
 &end
#
#   51 LYS  HE+          51 LYS  HB+         6.00    (#   4506:20  Unique         1.95, 3.47 A)
 &rst
  ixpk= 4506, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 898, 899,
 igr2= 889, 890,
 &end
#
#    0 AMB  20-2:4507     0 AMB  20-1:4507   6.00    (#   4507:20  Double Ambig)
 &rst
  ixpk= 4507, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 931, 932, 853, 854,
 igr2= 889, 890, 889, 890,
 &end
#
#    0 AMB  20-2:4509     0 AMB  20-1:4509   6.00    (#   4509:20  Double Ambig)
 &rst
  ixpk= 4509, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 633, 634, 633, 634, 565, 566,
 igr2= 648, 649, 934,
 &end
#
#    0 AMB  20-2:4510    37 ARG  HG-         6.00    (#   4510:20  Single Ambig)
 &rst
  ixpk= 4510, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 737, 738, 645, 646,
 igr2= 648, 649,
 &end
#
#   27 HIS  HB+          53 LEU  MDY         6.00    (#   4513:20  Unique         5.48, 7.76 A)
 &rst
  ixpk= 4513, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 475, 476,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   53 LEU  HA           54 VAL  HB          6.00    (#   4514:20  Unique         4.02, 4.13 A)
 &rst
  ixpk= 4514, nxpk= 20, iat= 929, 950, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ILE  HN           55 PRO  HA          8.00    (#   4515:20  Unique         3.60, 3.99 A)
 &rst
  ixpk= 4515, nxpk= 20, iat= 539, 972, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   30 LYS  HN           55 PRO  HB+         8.00    (#   4516:20  Unique         5.24, 6.76 A)
 &rst
  ixpk= 4516, nxpk= 20, iat= 517,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 969, 970,
 &end
#
#  136 GLU  HB-          55 PRO  HB+         3.50    (#   4517:20  Unique         1.99, 3.78 A)
 &rst
  ixpk= 4517, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2240,2241,
 igr2= 969, 970,
 &end
#
#  136 GLU  HB-          55 PRO  HB-         3.50    (#   4518:20  Unique         1.99, 3.78 A)
 &rst
  ixpk= 4518, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=2240,2241,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:4522    56 ASP  HA          6.00    (#   4522:20  Single Ambig)
 &rst
  ixpk= 4522, nxpk= 20, iat=  -1, 978, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1622,1623, 521, 522,
 &end
#
#   30 LYS  HA           56 ASP  HA          8.00    (#   4524:20  Unique         3.75, 4.20 A)
 &rst
  ixpk= 4524, nxpk= 20, iat= 519, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   97 GLU  HN           56 ASP  HA          8.00    (#   4525:20  Unique         6.99, 7.37 A)
 &rst
  ixpk= 4525, nxpk= 20, iat=1642, 978, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   57 HIS  HN           56 ASP  HA          6.00    (#   4526:20  Unique         2.45, 2.61 A)
 &rst
  ixpk= 4526, nxpk= 20, iat= 988, 978, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LYS  HN           48 ASP  HB-         6.00    (#   4527:20  Unique         1.90, 4.12 A)
 &rst
  ixpk= 4527, nxpk= 20, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 841, 842,
 &end
#
#    0 AMB  20-2:4528     0 AMB  20-1:4528   8.00    (#   4528:20  Double Ambig)
 &rst
  ixpk= 4528, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 517, 988,
 igr2= 980, 981, 980, 981,
 &end
#
#    0 AMB  20-2:4529    56 ASP  HB-         6.00    (#   4529:20  Single Ambig)
 &rst
  ixpk= 4529, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1635,1636,1635,1636,1633,
 igr2= 980, 981,
 &end
#
#   89 VAL  HN           60 MET  HB+         8.00    (#   4530:20  Unique         5.33, 6.59 A)
 &rst
  ixpk= 4530, nxpk= 20, iat=1530,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1040,1041,
 &end
#
#    0 AMB  20-2:4533     0 AMB  20-1:4533   6.00    (#   4533:20  Double Ambig)
 &rst
  ixpk= 4533, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1520,1521,1520,1521,1520,1521,
 igr2=1043,1044,1043,1044,1043,1044,
 &end
#
#    0 AMB  20-2:4534     0 AMB  20-1:4534   3.50    (#   4534:20  Double Ambig)
 &rst
  ixpk= 4534, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1040,1041,1040,1041,
 igr2=1043,1044,1043,1044,
 &end
#
#   63 LEU  MDX          60 MET  HG+         8.00    (#   4535:20  Unique         3.41, 6.14 A)
 &rst
  ixpk= 4535, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1088,1089,1090,1092,1093,1094,
 igr2=1043,1044,
 &end
#
#   61 SER  HN           61 SER  HA          3.50    (#   4536:20  Unique         2.75, 2.78 A)
 &rst
  ixpk= 4536, nxpk= 20, iat=1053,1055, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ILE  QD1          61 SER  HA          2.80    (#   4537:20  Unique         2.01, 3.64 A)
 &rst
  ixpk= 4537, nxpk= 20, iat=  -1,1055, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1111,1112,1113,
 &end
#
#   59 ASN  HD2-          0 AMB  20-1:4539   8.00    (#   4539:20  Single Ambig)
 &rst
  ixpk= 4539, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1031,1032,
 igr2=1057,1058,1057,1058,
 &end
#
#  134 LEU  MDY          58 VAL  HA          6.00    (#   4540:20  Unique         4.86, 6.66 A)
 &rst
  ixpk= 4540, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2212,2213,2214,2216,2217,2218,
 &end
#
#   66 ILE  QG2          64 ILE  HA          6.00    (#   4541:20  Unique         4.70, 5.78 A)
 &rst
  ixpk= 4541, nxpk= 20, iat=  -1,1100, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1145,1146,1147,
 &end
#
#   81 LEU  HB+          64 ILE  HG1+        6.00    (#   4542:20  Unique         2.00, 3.45 A)
 &rst
  ixpk= 4542, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1413,1414,
 igr2=1108,1109,
 &end
#
#   81 LEU  HG           64 ILE  HG1+        8.00    (#   4543:20  Unique         1.99, 4.23 A)
 &rst
  ixpk= 4543, nxpk= 20, iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1108,1109,
 &end
#
#    0 AMB  20-2:4544    65 LYS  HB-         6.00    (#   4544:20  Single Ambig)
 &rst
  ixpk= 4544, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1130,1131,1130,1131,
 igr2=1121,1122,
 &end
#
#   65 LYS  HN            0 AMB  20-1:4547   6.00    (#   4547:20  Single Ambig)
 &rst
  ixpk= 4547, nxpk= 20, iat=1117,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1127,1128,1127,1128,
 &end
#
#   66 ILE  HN            0 AMB  20-1:4548   6.00    (#   4548:20  Single Ambig)
 &rst
  ixpk= 4548, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1127,1128,1127,1128,
 &end
#
#   62 GLU  HA            0 AMB  20-1:4549   6.00    (#   4549:20  Single Ambig)
 &rst
  ixpk= 4549, nxpk= 20, iat=1066,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1127,1128,1127,1128,
 &end
#
#   63 LEU  HB+          66 ILE  QD1         6.00    (#   4552:20  Unique         3.68, 6.53 A)
 &rst
  ixpk= 4552, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1083,1084,
 igr2=1152,1153,1154,
 &end
#
#    0 AMB  20-2:4553    66 ILE  QD1         2.80    (#   4553:20  Single Ambig)
 &rst
  ixpk= 4553, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=2212,2213,2214,2216,2217,2218,1145,1146,1147,
 igr2=1152,1153,1154,
 &end
#
#   68 ARG  HD+          68 ARG  HA          6.00    (#   4554:20  Unique         2.04, 3.78 A)
 &rst
  ixpk= 4554, nxpk= 20, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1187,1188,
 &end
#
#   69 ARG  HB-          69 ARG  HA          3.50    (#   4560:20  Unique         2.28, 2.75 A)
 &rst
  ixpk= 4560, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1205,1206,
 &end
#
#    0 AMB  20-2:4561    69 ARG  HA          8.00    (#   4561:20  Single Ambig)
 &rst
  ixpk= 4561, nxpk= 20, iat=  -1,1203, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1289,1290,1253,1254,
 &end
#
#    0 AMB  20-2:4562     0 AMB  20-1:4562   3.50    (#   4562:20  Double Ambig)
 &rst
  ixpk= 4562, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  61,1079,1225,
 igr2=  50,  51,1068,1069,1205,1206,
 &end
#
#   68 ARG  HA            0 AMB  20-1:4563   4.50    (#   4563:20  Single Ambig)
 &rst
  ixpk= 4563, nxpk= 20, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1229,1230,1229,1230,1205,1206,
 &end
#
#    0 AMB  20-2:4567     0 AMB  20-1:4567   2.80    (#   4567:20  Double Ambig)
 &rst
  ixpk= 4567, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 859, 860, 859, 860,1208,1209, 360, 361,1232,1233,
      1232,1233,
 igr2=1229,1230,1229,1230,1205,1206, 357, 358,1229,1230,
      
 &end
#
#    0 AMB  20-2:4568    69 ARG  HG-         6.00    (#   4568:20  Single Ambig)
 &rst
  ixpk= 4568, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1275,1276,1275,1276,1272,1273,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:4570     0 AMB  20-1:4570   2.80    (#   4570:20  Double Ambig)
 &rst
  ixpk= 4570, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.99, r4= 5.49,
 igr1=1205,1206,1229,1230,1229,1230,1229,1230,
 igr2=1208,1209,1232,1233,
 &end
#
#   70 ARG  HN            0 AMB  20-1:4571   8.00    (#   4571:20  Single Ambig)
 &rst
  ixpk= 4571, nxpk= 20, iat=1225,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1235,1236,1211,1212,1211,1212,
 &end
#
#    0 AMB  20-2:4572     0 AMB  20-1:4572   8.00    (#   4572:20  Double Ambig)
 &rst
  ixpk= 4572, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1= 193,1249,1268,
 igr2= 166, 167, 166, 167,1235,1236,
 &end
#
#   22 LEU  HB-          22 LEU  HA          2.80    (#   4573:20  Unique         2.24, 2.43 A)
 &rst
  ixpk= 4573, nxpk= 20, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 381, 382,
 &end
#
#    0 AMB  20-2:4574     0 AMB  20-1:4574   6.00    (#   4574:20  Double Ambig)
 &rst
  ixpk= 4574, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1249,1268,
 igr2=1205,1206,1205,1206,
 &end
#
#    0 AMB  20-2:4575     0 AMB  20-1:4575   4.50    (#   4575:20  Double Ambig)
 &rst
  ixpk= 4575, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 igr2=1432,1433,1432,1433,
 &end
#
#    0 AMB  20-2:4576    71 LEU  HG          8.00    (#   4576:20  Single Ambig)
 &rst
  ixpk= 4576, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 825, 822, 823,
 &end
#
#    0 AMB  20-2:4577    71 LEU  HG          8.00    (#   4577:20  Single Ambig)
 &rst
  ixpk= 4577, nxpk= 20, iat=  -1,1256, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1229,1230,1229,1230,
 &end
#
#   71 LEU  HA           72 GLN  HA          6.00    (#   4580:20  Unique         4.76, 4.85 A)
 &rst
  ixpk= 4580, nxpk= 20, iat=1251,1270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4584     0 AMB  20-1:4584   6.00    (#   4584:20  Double Ambig)
 &rst
  ixpk= 4584, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1130,1131,1130,1131,
 igr2=1124,1125,1124,1125,
 &end
#
#    0 AMB  20-2:4585     0 AMB  20-1:4585   3.50    (#   4585:20  Double Ambig)
 &rst
  ixpk= 4585, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1=1121,1122,1121,1122,
 igr2=1124,1125,1124,1125,
 &end
#
#   74 ASN  HB+          74 ASN  HA          6.00    (#   4589:20  Unique         2.38, 2.81 A)
 &rst
  ixpk= 4589, nxpk= 20, iat=  -1,1306, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1308,1309,
 &end
#
#   75 ALA  HN            0 AMB  20-1:4597   8.00    (#   4597:20  Single Ambig)
 &rst
  ixpk= 4597, nxpk= 20, iat=1318,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2=1332,1333,1332,1333,
 &end
#
#    0 AMB  20-2:4598     0 AMB  20-1:4598   2.80    (#   4598:20  Double Ambig)
 &rst
  ixpk= 4598, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1308,1309,1308,1309,
 igr2=1332,1333,1332,1333,
 &end
#
#    0 AMB  20-2:4602    79 PHE  HB-         8.00    (#   4602:20  Single Ambig)
 &rst
  ixpk= 4602, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1181,1182,1181,1182,
 igr2=1373,1374,
 &end
#
#   44 LEU  MDY          79 PHE  HB-         6.00    (#   4603:20  Unique         2.33, 5.84 A)
 &rst
  ixpk= 4603, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1373,1374,
 &end
#
#    0 AMB  20-2:4605     0 AMB  20-1:4605   6.00    (#   4605:20  Double Ambig)
 &rst
  ixpk= 4605, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1389,1917,
 igr2=1393,1394,1393,1394,
 &end
#
#   81 LEU  HN           80 PHE  HB+         6.00    (#   4606:20  Unique         2.57, 3.75 A)
 &rst
  ixpk= 4606, nxpk= 20, iat=1409,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1393,1394,
 &end
#
#   80 PHE  HE           80 PHE  HB+         6.00    (#   4607:20  Unique         4.61, 5.05 A)
 &rst
  ixpk= 4607, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1399,1403,
 igr2=1393,1394,
 &end
#
#    0 AMB  20-2:4608     0 AMB  20-1:4608   3.50    (#   4608:20  Double Ambig)
 &rst
  ixpk= 4608, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1391,1504,
 igr2=1393,1394,1393,1394,
 &end
#
#    0 AMB  20-2:4609     0 AMB  20-1:4609   6.00    (#   4609:20  Double Ambig)
 &rst
  ixpk= 4609, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1957,1761,1762,
 igr2=1393,1394,1748,1749,
 &end
#
#    0 AMB  20-2:4611     0 AMB  20-1:4611   4.50    (#   4611:20  Double Ambig)
 &rst
  ixpk= 4611, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1=1294,1295,1296,1298,1299,1300,1437,1438,1439,1441,
      1442,1443,1437,1438,1439,1441,1442,1443,
 igr2=1373,1374,1393,1394,1393,1394,
 &end
#
#    0 AMB  20-2:4612     0 AMB  20-1:4612   6.00    (#   4612:20  Double Ambig)
 &rst
  ixpk= 4612, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 igr2=1413,1414,1413,1414,
 &end
#
#  111 MET  ME           81 LEU  MDX         4.50    (#   4613:20  Unique         3.43, 6.43 A)
 &rst
  ixpk= 4613, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1874,1875,1876,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   64 ILE  HG1+         81 LEU  MDX         2.80    (#   4614:20  Unique         1.49, 4.57 A)
 &rst
  ixpk= 4614, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1108,1109,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#   48 ASP  HN            0 AMB  20-1:4615   4.50    (#   4615:20  Single Ambig)
 &rst
  ixpk= 4615, nxpk= 20, iat= 837,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#    0 AMB  20-2:4619    82 LEU  HB-         6.00    (#   4619:20  Single Ambig)
 &rst
  ixpk= 4619, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 igr2=1432,1433,
 &end
#
#    0 AMB  20-2:4620    82 LEU  HG          8.00    (#   4620:20  Single Ambig)
 &rst
  ixpk= 4620, nxpk= 20, iat=  -1,1435, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1393,1394, 669, 670, 643,
 &end
#
#   82 LEU  HG            0 AMB  20-1:4621   2.80    (#   4621:20  Single Ambig)
 &rst
  ixpk= 4621, nxpk= 20, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  20-2:4622    83 VAL  HB          4.50    (#   4622:20  Single Ambig)
 &rst
  ixpk= 4622, nxpk= 20, iat=  -1,1451, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1870,1871,1870,1871,
 &end
#
#    0 AMB  20-2:4624     0 AMB  20-1:4624   6.00    (#   4624:20  Double Ambig)
 &rst
  ixpk= 4624, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.84, r4=13.34,
 igr1=1488,1489,1488,1489,1467,1468,1467,1468,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   84 ASN  HB-           0 AMB  20-1:4625   6.00    (#   4625:20  Single Ambig)
 &rst
  ixpk= 4625, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1467,1468,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   80 PHE  HD           89 VAL  HA          8.00    (#   4628:20  Unique         2.87, 7.03 A)
 &rst
  ixpk= 4628, nxpk= 20, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1397,1405,
 &end
#
#    0 AMB  20-2:4629    89 VAL  HA          2.80    (#   4629:20  Single Ambig)
 &rst
  ixpk= 4629, nxpk= 20, iat=  -1,1532, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,1108,1109,
 &end
#
#   88 MET  HA           90 SER  HA          8.00    (#   4632:20  Unique         5.51, 5.71 A)
 &rst
  ixpk= 4632, nxpk= 20, iat=1515,1548, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   59 ASN  HN           58 VAL  HA          3.50    (#   4633:20  Unique         2.14, 2.20 A)
 &rst
  ixpk= 4633, nxpk= 20, iat=1022,1008, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  20-2:4634     0 AMB  20-1:4634   6.00    (#   4634:20  Double Ambig)
 &rst
  ixpk= 4634, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1557,1064,
 igr2=1550,1551,1008,
 &end
#
#   90 SER  HA           90 SER  HB-         2.80    (#   4635:20  Unique         2.31, 2.76 A)
 &rst
  ixpk= 4635, nxpk= 20, iat=1548,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1550,1551,
 &end
#
#   58 VAL  MGY          58 VAL  HA          2.80    (#   4636:20  Unique         2.35, 3.19 A)
 &rst
  ixpk= 4636, nxpk= 20, iat=  -1,1008, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1012,1013,1014,1016,1017,1018,
 &end
#
#   95 ILE  HA           93 THR  MG2         6.00    (#   4637:20  Unique         4.14, 4.93 A)
 &rst
  ixpk= 4637, nxpk= 20, iat=1614,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1590,1591,1592,
 &end
#
#   97 GLU  HG+          93 THR  MG2         6.00    (#   4639:20  Unique         2.92, 5.20 A)
 &rst
  ixpk= 4639, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1649,1650,
 igr2=1590,1591,1592,
 &end
#
#   97 GLU  HN           94 PRO  HG-         6.00    (#   4640:20  Unique         2.59, 3.68 A)
 &rst
  ixpk= 4640, nxpk= 20, iat=1642,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1602,1603,
 &end
#
#   94 PRO  HB+          94 PRO  HG+         2.80    (#   4641:20  Unique         2.31, 2.56 A)
 &rst
  ixpk= 4641, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1605,1606,
 igr2=1602,1603,
 &end
#
#   98 VAL  HN           95 ILE  HA          6.00    (#   4642:20  Unique         3.22, 3.31 A)
 &rst
  ixpk= 4642, nxpk= 20, iat=1657,1614, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ILE  HG1-         95 ILE  HA          4.50    (#   4643:20  Unique         2.29, 2.60 A)
 &rst
  ixpk= 4643, nxpk= 20, iat=  -1,1614, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1622,1623,
 &end
#
#    0 AMB  20-2:4645    98 VAL  HA          3.50    (#   4645:20  Single Ambig)
 &rst
  ixpk= 4645, nxpk= 20, iat=  -1,1659, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1713,1714,1713,1714,
 &end
#
#  102 GLU  HB-          98 VAL  HB          6.00    (#   4646:20  Unique         4.89, 5.95 A)
 &rst
  ixpk= 4646, nxpk= 20, iat=  -1,1661, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1724,1725,
 &end
#
#    6 THR  MG2          39 LYS  HA          6.00    (#   4647:20  Unique         5.66, 7.22 A)
 &rst
  ixpk= 4647, nxpk= 20, iat=  -1, 688, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  89,  90,  91,
 &end
#
#  100 GLU  HN            0 AMB  20-1:4648   2.80    (#   4648:20  Single Ambig)
 &rst
  ixpk= 4648, nxpk= 20, iat=1694,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1698,1699,1698,1699,
 &end
#
#  102 GLU  HN          101 SER  HA          6.00    (#   4650:20  Unique         3.39, 3.45 A)
 &rst
  ixpk= 4650, nxpk= 20, iat=1720,1711, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 VAL  HA            0 AMB  20-1:4652   6.00    (#   4652:20  Single Ambig)
 &rst
  ixpk= 4652, nxpk= 20, iat=1659,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1713,1714,1713,1714,
 &end
#
#  103 LYS  HN          103 LYS  HA          6.00    (#   4655:20  Unique         2.76, 2.79 A)
 &rst
  ixpk= 4655, nxpk= 20, iat=1735,1737, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  20-2:4656     9 GLN  HA          6.00    (#   4656:20  Single Ambig)
 &rst
  ixpk= 4656, nxpk= 20, iat=  -1, 141, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 121, 122, 121, 122,
 &end
#
#    0 AMB  20-2:4657     0 AMB  20-1:4657   8.00    (#   4657:20  Double Ambig)
 &rst
  ixpk= 4657, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1748,1749,1748,1749,
 igr2=1739,1740,1739,1740,
 &end
#
#  103 LYS  HD+         103 LYS  HB+         3.50    (#   4658:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 4658, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1745,1746,
 igr2=1739,1740,
 &end
#
#  103 LYS  HA          103 LYS  HD+         8.00    (#   4659:20  Unique         2.08, 3.82 A)
 &rst
  ixpk= 4659, nxpk= 20, iat=1737,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1745,1746,
 &end
#
#  103 LYS  HB+         103 LYS  HD+         4.50    (#   4660:20  Unique         2.02, 3.20 A)
 &rst
  ixpk= 4660, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1739,1740,
 igr2=1745,1746,
 &end
#
#   80 PHE  HN           79 PHE  HB+         6.00    (#   4661:20  Unique         2.55, 3.92 A)
 &rst
  ixpk= 4661, nxpk= 20, iat=1389,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1373,1374,
 &end
#
#  103 LYS  HN          103 LYS  HE+         6.00    (#   4662:20  Unique         4.24, 5.89 A)
 &rst
  ixpk= 4662, nxpk= 20, iat=1735,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1748,1749,
 &end
#
#  103 LYS  HB+         103 LYS  HE-         4.50    (#   4665:20  Unique         2.22, 3.85 A)
 &rst
  ixpk= 4665, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1739,1740,
 igr2=1748,1749,
 &end
#
#  103 LYS  HB-         103 LYS  HE-         4.50    (#   4666:20  Unique         2.22, 3.85 A)
 &rst
  ixpk= 4666, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1739,1740,
 igr2=1748,1749,
 &end
#
#  104 ASP  HN          105 GLU  HA          8.00    (#   4667:20  Unique         5.17, 5.28 A)
 &rst
  ixpk= 4667, nxpk= 20, iat=1757,1771, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  20-2:4670     0 AMB  20-1:4670   2.80    (#   4670:20  Double Ambig)
 &rst
  ixpk= 4670, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1773,1774,1773,1774,1773,1774,
 igr2=1776,1777,1776,1777,1776,1777,
 &end
#
#    0 AMB  20-2:4671   106 ASP  HA          6.00    (#   4671:20  Single Ambig)
 &rst
  ixpk= 4671, nxpk= 20, iat=  -1,1786, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 296,1761,1762,
 &end
#
#  103 LYS  HD+         107 GLY  HA+         8.00    (#   4673:20  Unique         3.12, 6.45 A)
 &rst
  ixpk= 4673, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1745,1746,
 igr2=1798,1799,
 &end
#
#  103 LYS  HB-         107 GLY  HA-         8.00    (#   4676:20  Unique         5.44, 8.00 A)
 &rst
  ixpk= 4676, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1739,1740,
 igr2=1798,1799,
 &end
#
#    0 AMB  20-2:4678   109 LEU  HA          8.00    (#   4678:20  Single Ambig)
 &rst
  ixpk= 4678, nxpk= 20, iat=  -1,1825, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1827,1828,1724,1725,
 &end
#
#    0 AMB  20-2:4679     0 AMB  20-1:4679   6.00    (#   4679:20  Double Ambig)
 &rst
  ixpk= 4679, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 117,1880,
 igr2= 101, 102,1846,1847,
 &end
#
#    0 AMB  20-2:4680     0 AMB  20-1:4680   6.00    (#   4680:20  Double Ambig)
 &rst
  ixpk= 4680, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=  87,1825,1759,
 igr2= 101, 102,1846,1847,1846,1847,
 &end
#
#   83 VAL  HA            0 AMB  20-1:4681   6.00    (#   4681:20  Single Ambig)
 &rst
  ixpk= 4681, nxpk= 20, iat=1449,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1870,1871,1870,1871,
 &end
#
#   36 GLU  HB+         112 VAL  HB          6.00    (#   4683:20  Unique         5.27, 6.87 A)
 &rst
  ixpk= 4683, nxpk= 20, iat=  -1,1884, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 630, 631,
 &end
#
#  116 GLN  HN          116 GLN  HG-         6.00    (#   4691:20  Unique         2.63, 3.70 A)
 &rst
  ixpk= 4691, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1945,1946,
 &end
#
#  119 PHE  HB-         116 GLN  HG+         6.00    (#   4692:20  Unique         2.76, 5.68 A)
 &rst
  ixpk= 4692, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1988,1989,
 igr2=1945,1946,
 &end
#
#  117 GLU  HA          118 THR  HA          8.00    (#   4694:20  Unique         4.51, 4.56 A)
 &rst
  ixpk= 4694, nxpk= 20, iat=1957,1972, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  118 THR  HN          119 PHE  HB-         8.00    (#   4697:20  Unique         4.49, 6.08 A)
 &rst
  ixpk= 4697, nxpk= 20, iat=1970,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1988,1989,
 &end
#
#  116 GLN  HN           44 LEU  MDY         8.00    (#   4700:20  Unique         4.24, 6.37 A)
 &rst
  ixpk= 4700, nxpk= 20, iat=1938,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  123 GLU  HG-          51 LYS  HB-         8.00    (#   4703:20  Unique         5.15, 7.67 A)
 &rst
  ixpk= 4703, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2054,2055,
 igr2= 889, 890,
 &end
#
#   67 ILE  HN           67 ILE  HG1+        6.00    (#   4704:20  Unique         2.20, 3.77 A)
 &rst
  ixpk= 4704, nxpk= 20, iat=1158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1168,1169,
 &end
#
#   67 ILE  HA           67 ILE  HG1+        6.00    (#   4705:20  Unique         2.01, 2.94 A)
 &rst
  ixpk= 4705, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1168,1169,
 &end
#
#    0 AMB  20-2:4706     0 AMB  20-1:4706   6.00    (#   4706:20  Double Ambig)
 &rst
  ixpk= 4706, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 859, 860,1162,
 igr2=1168,1169,1168,1169,
 &end
#
#   67 ILE  QG2          67 ILE  HG1+        4.50    (#   4707:20  Unique         2.31, 3.38 A)
 &rst
  ixpk= 4707, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1164,1165,1166,
 igr2=1168,1169,
 &end
#
#   35 ILE  QD1          67 ILE  HG1+        8.00    (#   4708:20  Unique         1.97, 4.74 A)
 &rst
  ixpk= 4708, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 620, 621, 622,
 igr2=1168,1169,
 &end
#
#  111 MET  HA            0 AMB  20-1:4710   6.00    (#   4710:20  Single Ambig)
 &rst
  ixpk= 4710, nxpk= 20, iat=1865,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   89 VAL  HN            0 AMB  20-1:4711   6.00    (#   4711:20  Single Ambig)
 &rst
  ixpk= 4711, nxpk= 20, iat=1530,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1520,1521,1520,1521,
 &end
#
#   29 THR  HA           55 PRO  HB+         6.00    (#   4712:20  Unique         4.64, 6.52 A)
 &rst
  ixpk= 4712, nxpk= 20, iat= 505,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 969, 970,
 &end
#
#    0 AMB  20-2:4714     0 AMB  20-1:4714   2.80    (#   4714:20  Double Ambig)
 &rst
  ixpk= 4714, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1517,1518,1517,1518,1524,1525,1526,
 igr2=1520,1521,1520,1521,1520,1521,
 &end
#
#    0 AMB  20-2:4715     0 AMB  20-1:4715   2.80    (#   4715:20  Double Ambig)
 &rst
  ixpk= 4715, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1517,1518,1451,
 igr2=1520,1521,1520,1521,1520,1521,
 &end
#
#    9 GLN  HE2+          9 GLN  HB+         8.00    (#   4718:20  Unique         1.90, 3.84 A)
 &rst
  ixpk= 4718, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 151, 152,
 igr2= 143, 144,
 &end
#
#   77 GLN  HE2-         77 GLN  HB-         6.00    (#   4719:20  Unique         2.03, 3.94 A)
 &rst
  ixpk= 4719, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1354,1355,
 igr2=1346,1347,
 &end
#
#    0 AMB  20-2:4720     0 AMB  20-1:4720   6.00    (#   4720:20  Double Ambig)
 &rst
  ixpk= 4720, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=  68,  69,  71,  72,  71,  72,
 igr2= 143, 144, 143, 144, 143, 144,
 &end
#
#    0 AMB  20-2:4721     0 AMB  20-1:4721   3.50    (#   4721:20  Double Ambig)
 &rst
  ixpk= 4721, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1=  68,  69, 360, 361,  71,  72,
 igr2= 143, 144, 357, 358,
 &end
#
#   74 ASN  HB+          77 GLN  HG-         6.00    (#   4722:20  Unique         2.02, 5.56 A)
 &rst
  ixpk= 4722, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1308,1309,
 igr2=1349,1350,
 &end
#
#    0 AMB  20-2:4723     0 AMB  20-1:4723   2.80    (#   4723:20  Double Ambig)
 &rst
  ixpk= 4723, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1346,1347, 242, 243,
 igr2=1349,1350, 260, 261,
 &end
#
#   10 ARG  HN           10 ARG  HB-         6.00    (#   4724:20  Unique         2.65, 3.42 A)
 &rst
  ixpk= 4724, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   10 ARG  HN           10 ARG  HB+         8.00    (#   4725:20  Unique         2.65, 3.42 A)
 &rst
  ixpk= 4725, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 160, 161,
 &end
#
#   11 ARG  HN           10 ARG  HB+         6.00    (#   4726:20  Unique         1.61, 3.03 A)
 &rst
  ixpk= 4726, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   11 ARG  HN           10 ARG  HB-         8.00    (#   4727:20  Unique         1.61, 3.03 A)
 &rst
  ixpk= 4727, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 160, 161,
 &end
#
#   10 ARG  HA           10 ARG  HB+         6.00    (#   4728:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 4728, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   10 ARG  HA           10 ARG  HB-         6.00    (#   4729:20  Unique         2.27, 2.44 A)
 &rst
  ixpk= 4729, nxpk= 20, iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 160, 161,
 &end
#
#   37 ARG  HD+          37 ARG  HB+         6.00    (#   4730:20  Unique         2.02, 3.13 A)
 &rst
  ixpk= 4730, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 651, 652,
 igr2= 645, 646,
 &end
#
#    0 AMB  20-2:4734     0 AMB  20-1:4734   2.80    (#   4734:20  Double Ambig)
 &rst
  ixpk= 4734, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 163, 164, 773, 774, 734, 735,
 igr2= 160, 161, 645, 646, 645, 646,
 &end
#
#   10 ARG  HN           10 ARG  HG+         8.00    (#   4735:20  Unique         1.74, 2.51 A)
 &rst
  ixpk= 4735, nxpk= 20, iat= 156,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 163, 164,
 &end
#
#    0 AMB  20-2:4738     0 AMB  20-1:4738   6.00    (#   4738:20  Double Ambig)
 &rst
  ixpk= 4738, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 166, 167, 166, 167,
 igr2= 163, 164, 163, 164,
 &end
#
#   10 ARG  HB+          10 ARG  HG+         4.50    (#   4739:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 4739, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 160, 161,
 igr2= 163, 164,
 &end
#
#   10 ARG  HB+          10 ARG  HG-         4.50    (#   4740:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 4740, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 160, 161,
 igr2= 163, 164,
 &end
#
#    0 AMB  20-2:4743     0 AMB  20-1:4743   6.00    (#   4743:20  Double Ambig)
 &rst
  ixpk= 4743, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 184, 185, 892, 893,
 igr2= 163, 164, 163, 164,
 &end
#
#   12 THR  HN           11 ARG  HB+         8.00    (#   4744:20  Unique         2.81, 3.88 A)
 &rst
  ixpk= 4744, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 184, 185,
 &end
#
#   11 ARG  HN           11 ARG  HB+         6.00    (#   4745:20  Unique         2.35, 3.15 A)
 &rst
  ixpk= 4745, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 184, 185,
 &end
#
#   11 ARG  HN           11 ARG  HB-         6.00    (#   4746:20  Unique         2.35, 3.15 A)
 &rst
  ixpk= 4746, nxpk= 20, iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 184, 185,
 &end
#
#   11 ARG  HA           11 ARG  HB+         6.00    (#   4747:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 4747, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 184, 185,
 &end
#
#   11 ARG  HA           11 ARG  HB-         6.00    (#   4748:20  Unique         2.31, 2.69 A)
 &rst
  ixpk= 4748, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 184, 185,
 &end
#
#    0 AMB  20-2:4749     0 AMB  20-1:4749   6.00    (#   4749:20  Double Ambig)
 &rst
  ixpk= 4749, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 190, 191, 190, 191,
 igr2= 184, 185, 184, 185,
 &end
#
#    0 AMB  20-2:4750    11 ARG  HB-         6.00    (#   4750:20  Single Ambig)
 &rst
  ixpk= 4750, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 190, 191, 190, 191,
 igr2= 184, 185,
 &end
#
#   15 GLN  HB+          11 ARG  HB+         6.00    (#   4751:20  Unique         1.98, 3.87 A)
 &rst
  ixpk= 4751, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 257, 258,
 igr2= 184, 185,
 &end
#
#   15 GLN  HB+          11 ARG  HB-         6.00    (#   4752:20  Unique         1.98, 3.87 A)
 &rst
  ixpk= 4752, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 257, 258,
 igr2= 184, 185,
 &end
#
#    0 AMB  20-2:4753    11 ARG  HB-         6.00    (#   4753:20  Single Ambig)
 &rst
  ixpk= 4753, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 277, 278, 277, 278,
 igr2= 184, 185,
 &end
#
#   11 ARG  HG-          11 ARG  HB+         4.50    (#   4755:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 4755, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 187, 188,
 igr2= 184, 185,
 &end
#
#   11 ARG  HG-          11 ARG  HB-         4.50    (#   4756:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 4756, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 187, 188,
 igr2= 184, 185,
 &end
#
#   11 ARG  HA           11 ARG  HG+         6.00    (#   4758:20  Unique         2.23, 3.02 A)
 &rst
  ixpk= 4758, nxpk= 20, iat= 182,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 187, 188,
 &end
#
#    0 AMB  20-2:4759     0 AMB  20-1:4759   6.00    (#   4759:20  Double Ambig)
 &rst
  ixpk= 4759, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 651, 652, 101, 102,
 igr2= 648, 649, 187, 188,
 &end
#
#    0 AMB  20-2:4761     0 AMB  20-1:4761   8.00    (#   4761:20  Double Ambig)
 &rst
  ixpk= 4761, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1= 257, 258, 898, 899,
 igr2= 187, 188, 187, 188,
 &end
#
#    0 AMB  20-2:4762     0 AMB  20-1:4762   6.00    (#   4762:20  Double Ambig)
 &rst
  ixpk= 4762, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 740, 741, 163, 164, 773, 774,
 igr2= 648, 649, 187, 188,
 &end
#
#   11 ARG  HB-          11 ARG  HG+         6.00    (#   4764:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 4764, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 184, 185,
 igr2= 187, 188,
 &end
#
#   15 GLN  HE2-         15 GLN  HG+         6.00    (#   4766:20  Unique         2.15, 3.22 A)
 &rst
  ixpk= 4766, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 265, 266,
 igr2= 260, 261,
 &end
#
#   12 THR  HB           15 GLN  HG+         6.00    (#   4768:20  Unique         5.34, 6.69 A)
 &rst
  ixpk= 4768, nxpk= 20, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 260, 261,
 &end
#
#   15 GLN  HB+          15 GLN  HG+         2.80    (#   4769:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 4769, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 257, 258,
 igr2= 260, 261,
 &end
#
#   14 GLU  HB+          15 GLN  HG+         4.50    (#   4770:20  Unique         3.31, 4.36 A)
 &rst
  ixpk= 4770, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 242, 243,
 igr2= 260, 261,
 &end
#
#   15 GLN  HB-          15 GLN  HG+         6.00    (#   4771:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 4771, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 257, 258,
 igr2= 260, 261,
 &end
#
#   57 HIS  HN           57 HIS  HB-         6.00    (#   4772:20  Unique         2.83, 3.27 A)
 &rst
  ixpk= 4772, nxpk= 20, iat= 988,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 992, 993,
 &end
#
#   66 ILE  HN           66 ILE  QG2         6.00    (#   4775:20  Unique         1.71, 2.96 A)
 &rst
  ixpk= 4775, nxpk= 20, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1145,1146,1147,
 &end
#
#   52 PHE  HD           66 ILE  QG2         6.00    (#   4777:20  Unique         5.45, 7.88 A)
 &rst
  ixpk= 4777, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 915, 923,
 igr2=1145,1146,1147,
 &end
#
#   66 ILE  HA           66 ILE  QG2         4.50    (#   4778:20  Unique         2.50, 3.84 A)
 &rst
  ixpk= 4778, nxpk= 20, iat=1141,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1145,1146,1147,
 &end
#
#   67 ILE  HA           66 ILE  QG2         6.00    (#   4779:20  Unique         3.08, 4.61 A)
 &rst
  ixpk= 4779, nxpk= 20, iat=1160,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:4780     0 AMB  20-1:4780   2.80    (#   4780:20  Double Ambig)
 &rst
  ixpk= 4780, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.22, r4= 5.72,
 igr1=1143,1121,1122,1867,1868,1867,1868,
 igr2=1145,1146,1147, 613, 614, 615,
 &end
#
#    0 AMB  20-2:4781     0 AMB  20-1:4781   6.00    (#   4781:20  Double Ambig)
 &rst
  ixpk= 4781, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1=1086, 895, 896,1256, 592,
 igr2=1145,1146,1147, 613, 614, 615,
 &end
#
#   67 ILE  HG1-         66 ILE  QG2         4.50    (#   4782:20  Unique         2.23, 5.20 A)
 &rst
  ixpk= 4782, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1168,1169,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:4783    35 ILE  QG2         4.50    (#   4783:20  Single Ambig)
 &rst
  ixpk= 4783, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 877, 878, 879, 889, 890,
 igr2= 613, 614, 615,
 &end
#
#    0 AMB  20-2:4784     0 AMB  20-1:4784   2.80    (#   4784:20  Double Ambig)
 &rst
  ixpk= 4784, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1168,1169,1149,1150,1168,1169,
 igr2=1145,1146,1147, 613, 614, 615,
 &end
#
#    0 AMB  20-2:4785    66 ILE  QG2         2.80    (#   4785:20  Single Ambig)
 &rst
  ixpk= 4785, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.85, r4= 5.35,
 igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  20-2:4786     0 AMB  20-1:4786   4.50    (#   4786:20  Double Ambig)
 &rst
  ixpk= 4786, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=1164,1165,1166, 594, 595, 596,
 igr2= 613, 614, 615,1145,1146,1147,
 &end
#
#   99 TYR  HN           96 SER  HA          6.00    (#   4787:20  Unique         3.33, 3.56 A)
 &rst
  ixpk= 4787, nxpk= 20, iat=1673,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HB-          96 SER  HA          6.00    (#   4789:20  Unique         2.57, 3.52 A)
 &rst
  ixpk= 4789, nxpk= 20, iat=  -1,1633, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1677,1678,
 &end
#
#   96 SER  HN           96 SER  HA          6.00    (#   4791:20  Unique         2.76, 2.78 A)
 &rst
  ixpk= 4791, nxpk= 20, iat=1631,1633, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ILE  HG1-         67 ILE  QG2         6.00    (#   4794:20  Unique         4.19, 5.84 A)
 &rst
  ixpk= 4794, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1108,1109,
 igr2=1164,1165,1166,
 &end
#
#   42 LYS  HN           43 GLN  HB-         6.00    (#   4796:20  Unique         4.96, 5.77 A)
 &rst
  ixpk= 4796, nxpk= 20, iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 756, 757,
 &end
#
#   31 ILE  QG2         109 LEU  MDX         4.50    (#   4799:20  Unique         2.09, 5.51 A)
 &rst
  ixpk= 4799, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 545, 546, 547,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4800   109 LEU  MDX         2.80    (#   4800:20  Single Ambig)
 &rst
  ixpk= 4800, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1827,1828,1830,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  111 MET  ME          109 LEU  MDX         3.50    (#   4801:20  Unique         2.01, 5.44 A)
 &rst
  ixpk= 4801, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1874,1875,1876,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4802   109 LEU  MDX         4.50    (#   4802:20  Single Ambig)
 &rst
  ixpk= 4802, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1724,1725,1827,1828,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   99 TYR  HA          109 LEU  MDX         6.00    (#   4803:20  Unique         1.60, 3.34 A)
 &rst
  ixpk= 4803, nxpk= 20, iat=1675,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  20-2:4809    66 ILE  HB          3.50    (#   4809:20  Single Ambig)
 &rst
  ixpk= 4809, nxpk= 20, iat=  -1,1143, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1145,1146,1147,2212,2213,2214,2216,2217,2218,
 &end
#
#   36 GLU  HA            0 AMB  20-1:4810   8.00    (#   4810:20  Single Ambig)
 &rst
  ixpk= 4810, nxpk= 20, iat= 628,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr2= 743, 744, 743, 744,
 &end
#
#    0 AMB  20-2:4811     0 AMB  20-1:4811   6.00    (#   4811:20  Double Ambig)
 &rst
  ixpk= 4811, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 184, 185, 210, 211, 212,
 igr2= 260, 261, 260, 261,
 &end
#
#   22 LEU  MDX          26 GLN  HG+         6.00    (#   4814:20  Unique         2.67, 6.89 A)
 &rst
  ixpk= 4814, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 461, 462,
 &end
#
#   26 GLN  HB-          26 GLN  HG+         4.50    (#   4815:20  Unique         2.20, 2.71 A)
 &rst
  ixpk= 4815, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 458, 459,
 igr2= 461, 462,
 &end
#
#   95 ILE  QG2           0 AMB  20-1:4816   6.00    (#   4816:20  Single Ambig)
 &rst
  ixpk= 4816, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1618,1619,1620,
 igr2=1633,1635,1636,1635,1636,
 &end
#
#   25 GLU  HN           25 GLU  HG-         6.00    (#   4817:20  Unique         3.90, 4.44 A)
 &rst
  ixpk= 4817, nxpk= 20, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 446, 447,
 &end
#
#   26 GLN  HN           25 GLU  HG-         6.00    (#   4818:20  Unique         3.45, 4.29 A)
 &rst
  ixpk= 4818, nxpk= 20, iat= 454,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 446, 447,
 &end
#
#   25 GLU  HA           25 GLU  HG-         6.00    (#   4819:20  Unique         2.17, 2.90 A)
 &rst
  ixpk= 4819, nxpk= 20, iat= 441,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 446, 447,
 &end
#
#   82 LEU  HG           82 LEU  HB+         6.00    (#   4821:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 4821, nxpk= 20, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#   82 LEU  HG           82 LEU  HB-         6.00    (#   4822:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 4822, nxpk= 20, iat=1435,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1432,1433,
 &end
#
#    4 GLU  HN            4 GLU  HG-         8.00    (#   4823:20  Unique         2.31, 4.34 A)
 &rst
  ixpk= 4823, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  53,  54,
 &end
#
#    4 GLU  HN            4 GLU  HG+         8.00    (#   4824:20  Unique         2.31, 4.34 A)
 &rst
  ixpk= 4824, nxpk= 20, iat=  46,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  53,  54,
 &end
#
#    5 LYS  HN            5 LYS  HD+         8.00    (#   4825:20  Unique         2.93, 4.68 A)
 &rst
  ixpk= 4825, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  71,  72,
 &end
#
#    5 LYS  HN            5 LYS  HD-         8.00    (#   4826:20  Unique         2.93, 4.68 A)
 &rst
  ixpk= 4826, nxpk= 20, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=  71,  72,
 &end
#
#    5 LYS  HA            5 LYS  HD-         6.00    (#   4827:20  Unique         2.00, 3.61 A)
 &rst
  ixpk= 4827, nxpk= 20, iat=  63,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  71,  72,
 &end
#
#    0 AMB  20-2:4828     5 LYS  HD-         4.50    (#   4828:20  Single Ambig)
 &rst
  ixpk= 4828, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  74,  75,  74,  75,
 igr2=  71,  72,
 &end
#
#    8 LYS  HE+           8 LYS  HG-         8.00    (#   4829:20  Unique         2.03, 3.12 A)
 &rst
  ixpk= 4829, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 130, 131,
 igr2= 124, 125,
 &end
#
#   51 LYS  HN           51 LYS  HG+         8.00    (#   4831:20  Unique         1.84, 3.76 A)
 &rst
  ixpk= 4831, nxpk= 20, iat= 885,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 892, 893,
 &end
#
#   51 LYS  HA           51 LYS  HG+         6.00    (#   4832:20  Unique         2.12, 3.23 A)
 &rst
  ixpk= 4832, nxpk= 20, iat= 887,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 892, 893,
 &end
#
#   51 LYS  HD+          51 LYS  HG+         6.00    (#   4833:20  Unique         2.22, 2.62 A)
 &rst
  ixpk= 4833, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 895, 896,
 igr2= 892, 893,
 &end
#
#   34 ILE  QD1          51 LYS  HG+         6.00    (#   4835:20  Unique         1.84, 5.77 A)
 &rst
  ixpk= 4835, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 601, 602, 603,
 igr2= 892, 893,
 &end
#
#   53 LEU  MDX          23 ILE  HG1-        8.00    (#   4836:20  Unique         2.52, 5.70 A)
 &rst
  ixpk= 4836, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 936, 937, 938, 940, 941, 942,
 igr2= 406, 407,
 &end
#
#   12 THR  HN           15 GLN  HB+         6.00    (#   4838:20  Unique         1.91, 3.37 A)
 &rst
  ixpk= 4838, nxpk= 20, iat= 204,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 257, 258,
 &end
#
#   16 ARG  HN           15 GLN  HB+         8.00    (#   4839:20  Unique         2.22, 2.96 A)
 &rst
  ixpk= 4839, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 257, 258,
 &end
#
#   16 ARG  HN           15 GLN  HB-         6.00    (#   4840:20  Unique         2.22, 2.96 A)
 &rst
  ixpk= 4840, nxpk= 20, iat= 270,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 257, 258,
 &end
#
#   15 GLN  HN           15 GLN  HB+         6.00    (#   4841:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 4841, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 257, 258,
 &end
#
#   15 GLN  HN           15 GLN  HB-         4.50    (#   4842:20  Unique         2.29, 2.96 A)
 &rst
  ixpk= 4842, nxpk= 20, iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 257, 258,
 &end
#
#   15 GLN  HA           15 GLN  HB+         4.50    (#   4843:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 4843, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 257, 258,
 &end
#
#   15 GLN  HA           15 GLN  HB-         2.80    (#   4844:20  Unique         2.37, 2.77 A)
 &rst
  ixpk= 4844, nxpk= 20, iat= 255,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 257, 258,
 &end
#
#   15 GLN  HG+          15 GLN  HB+         2.80    (#   4845:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 4845, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 260, 261,
 igr2= 257, 258,
 &end
#
#   11 ARG  HB+          15 GLN  HB+         6.00    (#   4848:20  Unique         1.98, 3.87 A)
 &rst
  ixpk= 4848, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 184, 185,
 igr2= 257, 258,
 &end
#
#   11 ARG  HB+          15 GLN  HB-         6.00    (#   4849:20  Unique         1.98, 3.87 A)
 &rst
  ixpk= 4849, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 184, 185,
 igr2= 257, 258,
 &end
#
#    0 AMB  20-2:4850     0 AMB  20-1:4850   6.00    (#   4850:20  Double Ambig)
 &rst
  ixpk= 4850, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 190, 191, 190, 191,
 igr2= 257, 258, 257, 258,
 &end
#
#    0 AMB  20-2:4851    15 GLN  HB-         6.00    (#   4851:20  Single Ambig)
 &rst
  ixpk= 4851, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 190, 191, 190, 191,
 igr2= 257, 258,
 &end
#
#   41 GLU  HG-          41 GLU  HA          6.00    (#   4852:20  Unique         2.30, 3.28 A)
 &rst
  ixpk= 4852, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 722, 723,
 &end
#
#   41 GLU  HB-          41 GLU  HA          3.50    (#   4853:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 4853, nxpk= 20, iat=  -1, 717, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 719, 720,
 &end
#
#   42 LYS  HB+          41 GLU  HB-         6.00    (#   4854:20  Unique         5.89, 6.81 A)
 &rst
  ixpk= 4854, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 734, 735,
 igr2= 719, 720,
 &end
#
#  109 LEU  MDY         109 LEU  HB+         3.50    (#   4855:20  Unique         2.33, 3.36 A)
 &rst
  ixpk= 4855, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1827,1828,
 &end
#
#  109 LEU  MDY         109 LEU  HB-         3.50    (#   4856:20  Unique         2.33, 3.36 A)
 &rst
  ixpk= 4856, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1827,1828,
 &end
#
#    0 AMB  20-2:4857   109 LEU  MDY         2.80    (#   4857:20  Single Ambig)
 &rst
  ixpk= 4857, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1=1827,1828,1830,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  112 VAL  HN           85 GLY  HA-         4.50    (#   4858:20  Unique         4.73, 5.49 A)
 &rst
  ixpk= 4858, nxpk= 20, iat=1880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1479,1480,
 &end
#
#  104 ASP  HB+         104 ASP  HA          6.00    (#   4860:20  Unique         2.24, 2.77 A)
 &rst
  ixpk= 4860, nxpk= 20, iat=  -1,1759, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1761,1762,
 &end
#
#    0 AMB  20-2:4861     0 AMB  20-1:4861   6.00    (#   4861:20  Double Ambig)
 &rst
  ixpk= 4861, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1361,1737,1771,
 igr2=1187,1188,1761,1762,
 &end
#
#   51 LYS  HB-          51 LYS  HA          8.00    (#   4862:20  Unique         2.21, 2.70 A)
 &rst
  ixpk= 4862, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 889, 890,
 &end
#
#    0 AMB  20-2:4863    51 LYS  HA          8.00    (#   4863:20  Single Ambig)
 &rst
  ixpk= 4863, nxpk= 20, iat=  -1, 887, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 889, 890, 877, 878, 879,
 &end
#
#   51 LYS  HG+          51 LYS  HB+         4.50    (#   4864:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 4864, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 892, 893,
 igr2= 889, 890,
 &end
#
#   51 LYS  HG+          51 LYS  HB-         4.50    (#   4865:20  Unique         2.22, 2.61 A)
 &rst
  ixpk= 4865, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 892, 893,
 igr2= 889, 890,
 &end
#
#   34 ILE  QD1          51 LYS  HE+         8.00    (#   4866:20  Unique         1.51, 5.70 A)
 &rst
  ixpk= 4866, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 601, 602, 603,
 igr2= 898, 899,
 &end
#
#  106 ASP  HN          106 ASP  HB+         8.00    (#   4867:20  Unique         2.06, 3.01 A)
 &rst
  ixpk= 4867, nxpk= 20, iat=1784,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1788,1789,
 &end
#
#    0 AMB  20-2:4868     0 AMB  20-1:4868   6.00    (#   4868:20  Double Ambig)
 &rst
  ixpk= 4868, nxpk= 20, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.74, r4=12.24,
 igr1=1761,1762, 296,1057,1058,1057,1058,
 igr2=1788,1789,1788,1789,1026,1027,1026,1027,
 &end
#
#    0 AMB  22-2:0        0 AMB  22-1:0      4.50    (#      0:22  Double Ambig)
 &rst
  ixpk= 0, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.82, r4=10.32,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187, 386, 387, 388, 390, 391, 392,
 igr2=1071,1072,1071,1072, 446, 447,
 &end
#
#    0 AMB  22-2:1       62 GLU  HG-         4.50    (#      1:22  Single Ambig)
 &rst
  ixpk= 1, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2=1071,1072,
 &end
#
#    0 AMB  22-2:3        0 AMB  22-1:3      6.00    (#      3:22  Double Ambig)
 &rst
  ixpk= 3, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2=1068,1069,1068,1069,
 &end
#
#    0 AMB  22-2:4       66 ILE  HG1-        6.00    (#      4:22  Single Ambig)
 &rst
  ixpk= 4, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=2181,2182,2183,2185,2186,2187,1145,1146,1147,
 igr2=1149,1150,
 &end
#
#    0 AMB  22-2:5        0 AMB  22-1:5      6.00    (#      5:22  Double Ambig)
 &rst
  ixpk= 5, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,
 igr2= 966, 967, 966, 967,
 &end
#
#   81 LEU  MDX          60 MET  ME          4.50    (#      7:22  Unique         2.65, 5.53 A)
 &rst
  ixpk= 7, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1047,1048,1049,
 &end
#
#    0 AMB  22-2:8        0 AMB  22-1:8      3.50    (#      8:22  Double Ambig)
 &rst
  ixpk= 8, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2= 931, 932, 931, 932,
 &end
#
#   53 LEU  HB-           0 AMB  22-1:9      8.00    (#      9:22  Single Ambig)
 &rst
  ixpk= 9, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 931, 932,
 igr2= 527, 528, 527, 528,
 &end
#
#  109 LEU  MDX          95 ILE  HG1+        6.00    (#     11:22  Unique         2.00, 5.22 A)
 &rst
  ixpk= 11, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1832,1833,1834,1836,1837,1838,
 igr2=1622,1623,
 &end
#
#    0 AMB  22-2:12      53 LEU  HG          6.00    (#     12:22  Single Ambig)
 &rst
  ixpk= 12, nxpk= 22, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 &end
#
#   73 LEU  MDY          44 LEU  MDY         6.00    (#     13:22  Unique         1.28, 5.54 A)
 &rst
  ixpk= 13, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   73 LEU  MDX          44 LEU  MDY         8.00    (#     14:22  Unique         1.28, 5.54 A)
 &rst
  ixpk= 14, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  131 VAL  MGY          53 LEU  HB-         6.00    (#     15:22  Unique         1.74, 5.08 A)
 &rst
  ixpk= 15, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2162,2163,2164,2166,2167,2168,
 igr2= 931, 932,
 &end
#
#    0 AMB  22-2:17      54 VAL  MGY         3.50    (#     17:22  Single Ambig)
 &rst
  ixpk= 17, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1012,1013,1014,1016,1017,1018,2212,2213,2214,2216,
      2217,2218,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#    0 AMB  22-2:18      54 VAL  MGY         4.50    (#     18:22  Single Ambig)
 &rst
  ixpk= 18, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1088,1089,1090,1092,1093,1094,1012,1013,1014,1016,
      1017,1018,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  134 LEU  MDY          54 VAL  MGY         4.50    (#     19:22  Unique         2.38, 6.02 A)
 &rst
  ixpk= 19, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=2212,2213,2214,2216,2217,2218,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#  134 LEU  MDY          66 ILE  QG2         3.50    (#     21:22  Unique         1.81, 5.29 A)
 &rst
  ixpk= 21, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2212,2213,2214,2216,2217,2218,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  22-2:22      63 LEU  MDY         4.50    (#     22:22  Single Ambig)
 &rst
  ixpk= 22, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.75, r4= 9.25,
 igr1=1164,1165,1166,2212,2213,2214,2216,2217,2218,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:23      53 LEU  MDY         3.50    (#     23:22  Single Ambig)
 &rst
  ixpk= 23, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   71 LEU  MDX          67 ILE  QG2         6.00    (#     24:22  Unique         2.00, 4.70 A)
 &rst
  ixpk= 24, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1164,1165,1166,
 &end
#
#   35 ILE  QG2          35 ILE  QD1         8.00    (#     25:22  Unique         1.96, 3.69 A)
 &rst
  ixpk= 25, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 613, 614, 615,
 igr2= 620, 621, 622,
 &end
#
#   67 ILE  QG2          35 ILE  QD1         6.00    (#     26:22  Unique         2.12, 4.20 A)
 &rst
  ixpk= 26, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1164,1165,1166,
 igr2= 620, 621, 622,
 &end
#
#  131 VAL  MGY          53 LEU  MDX         3.50    (#     27:22  Unique         1.71, 6.09 A)
 &rst
  ixpk= 27, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=2162,2163,2164,2166,2167,2168,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#    0 AMB  22-2:28      63 LEU  MDY         8.00    (#     28:22  Single Ambig)
 &rst
  ixpk= 28, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=2176,2177, 611,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:29      63 LEU  MDY         3.50    (#     29:22  Single Ambig)
 &rst
  ixpk= 29, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 952, 953, 954, 956, 957, 958,1418,1419,1420,1422,
      1423,1424,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:30      71 LEU  MDY         6.00    (#     30:22  Single Ambig)
 &rst
  ixpk= 30, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 825, 822, 823,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   81 LEU  MDY          67 ILE  QG2         6.00    (#     31:22  Unique         1.61, 4.71 A)
 &rst
  ixpk= 31, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1418,1419,1420,1422,1423,1424,
 igr2=1164,1165,1166,
 &end
#
#    0 AMB  22-2:32      31 ILE  QG2         6.00    (#     32:22  Single Ambig)
 &rst
  ixpk= 32, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.32, r4=11.82,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,1618,1619,1620,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  22-2:33      66 ILE  QD1         3.50    (#     33:22  Single Ambig)
 &rst
  ixpk= 33, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=2179,1162, 859, 860,
 igr2=1152,1153,1154,
 &end
#
#  132 LEU  MDY          66 ILE  QD1         3.50    (#     34:22  Unique         1.56, 4.67 A)
 &rst
  ixpk= 34, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=1152,1153,1154,
 &end
#
#    0 AMB  22-2:35      67 ILE  QD1         4.50    (#     35:22  Single Ambig)
 &rst
  ixpk= 35, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1=2181,2182,2183,2185,2186,2187,2162,2163,2164,2166,
      2167,2168,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  22-2:36      54 VAL  MGY         6.00    (#     36:22  Single Ambig)
 &rst
  ixpk= 36, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1086,1622,1623,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#   71 LEU  HG           66 ILE  QG2         8.00    (#     37:22  Unique         5.68, 7.89 A)
 &rst
  ixpk= 37, nxpk= 22, iat=1256,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  22-2:38      44 LEU  MDY         6.00    (#     38:22  Single Ambig)
 &rst
  ixpk= 38, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.19, r4=11.69,
 igr1= 792, 793, 806,1945,1946, 719, 720,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  22-2:40      54 VAL  MGY         6.00    (#     40:22  Single Ambig)
 &rst
  ixpk= 40, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 543,1616,2210,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#    0 AMB  22-2:41      54 VAL  MGY         6.00    (#     41:22  Single Ambig)
 &rst
  ixpk= 41, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=2179,1162,
 igr2= 952, 953, 954, 956, 957, 958,
 &end
#
#    0 AMB  22-2:42      66 ILE  QG2         4.50    (#     42:22  Single Ambig)
 &rst
  ixpk= 42, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1=2176,2177,2210,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  22-2:43      93 THR  MG2         8.00    (#     43:22  Single Ambig)
 &rst
  ixpk= 43, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.33, r4=14.83,
 igr1=1646,1647,1646,1647,1602,1603,1602,1603,1524,1525,
      1526,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  22-2:44      93 THR  MG2         6.00    (#     44:22  Single Ambig)
 &rst
  ixpk= 44, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1599,1600,1588,
 igr2=1590,1591,1592,
 &end
#
#   94 PRO  HD+          93 THR  MG2         8.00    (#     45:22  Unique         2.25, 4.24 A)
 &rst
  ixpk= 45, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1599,1600,
 igr2=1590,1591,1592,
 &end
#
#    0 AMB  22-2:46      98 VAL  MGY         6.00    (#     46:22  Single Ambig)
 &rst
  ixpk= 46, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1614,1675,1713,1714,1713,1714,
 igr2=1663,1664,1665,1667,1668,1669,
 &end
#
#   38 TYR  HA          112 VAL  MGY         6.00    (#     47:22  Unique         2.49, 4.28 A)
 &rst
  ixpk= 47, nxpk= 22, iat= 667,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1886,1887,1888,1890,1891,1892,
 &end
#
#    0 AMB  22-2:48       0 AMB  22-1:48     6.00    (#     48:22  Double Ambig)
 &rst
  ixpk= 48, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1=1586,1038,1940,1608,
 igr2=1563,1564,1565,1567,1568,1569,1536,1537,1538,1540,
      1541,1542,1536,1537,1538,1540,1541,1542,
 &end
#
#  132 LEU  HA           66 ILE  QD1         3.50    (#     49:22  Unique         2.29, 3.70 A)
 &rst
  ixpk= 49, nxpk= 22, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1152,1153,1154,
 &end
#
#    0 AMB  22-2:50      23 ILE  HB          6.00    (#     50:22  Single Ambig)
 &rst
  ixpk= 50, nxpk= 22, iat=  -1, 400, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=2133, 466, 467,
 &end
#
#  129 TYR  HH            0 AMB  22-1:51     6.00    (#     51:22  Single Ambig)
 &rst
  ixpk= 51, nxpk= 22, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 565, 566, 274, 275,
 &end
#
#    0 AMB  22-2:52       0 AMB  22-1:52     6.00    (#     52:22  Double Ambig)
 &rst
  ixpk= 52, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=2133, 265, 266,
 igr2= 565, 566, 341, 274, 275,
 &end
#
#   43 GLN  HE2-         44 LEU  MDX         6.00    (#     53:22  Unique         1.85, 7.55 A)
 &rst
  ixpk= 53, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 764, 765,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#  129 TYR  HE           53 LEU  MDX         4.50    (#     55:22  Unique         1.55, 4.79 A)
 &rst
  ixpk= 55, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2130,2135,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   13 PHE  HE           17 VAL  MGY         6.00    (#     56:22  Unique         2.03, 6.32 A)
 &rst
  ixpk= 56, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 228, 232,
 igr2= 300, 301, 302, 304, 305, 306,
 &end
#
#   26 GLN  HE2-         53 LEU  MDY         3.50    (#     57:22  Unique         7.23, 9.56 A)
 &rst
  ixpk= 57, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 466, 467,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#  129 TYR  HH           20 VAL  MGX         8.00    (#     58:22  Unique         3.37, 5.76 A)
 &rst
  ixpk= 58, nxpk= 22, iat=2133,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   80 PHE  HE           78 ALA  MB          6.00    (#     59:22  Unique         2.26, 5.70 A)
 &rst
  ixpk= 59, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1399,1403,
 igr2=1363,1364,1365,
 &end
#
#  129 TYR  HH           23 ILE  QG2         4.50    (#     60:22  Unique         2.36, 4.44 A)
 &rst
  ixpk= 60, nxpk= 22, iat=2133,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 402, 403, 404,
 &end
#
#  113 TYR  HD           35 ILE  QG2         6.00    (#     61:22  Unique         4.47, 7.13 A)
 &rst
  ixpk= 61, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1904,1913,
 igr2= 613, 614, 615,
 &end
#
#   79 PHE  HD           64 ILE  QG2         8.00    (#     62:22  Unique         2.69, 6.36 A)
 &rst
  ixpk= 62, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1377,1385,
 igr2=1104,1105,1106,
 &end
#
#   79 PHE  HE           64 ILE  QG2         8.00    (#     63:22  Unique         1.71, 5.16 A)
 &rst
  ixpk= 63, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1379,1383,
 igr2=1104,1105,1106,
 &end
#
#    0 AMB  22-2:64      23 ILE  QD1         3.50    (#     64:22  Single Ambig)
 &rst
  ixpk= 64, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 466, 467,2133,
 igr2= 409, 410, 411,
 &end
#
#   78 ALA  HN           78 ALA  MB          6.00    (#     65:22  Unique         2.48, 3.07 A)
 &rst
  ixpk= 65, nxpk= 22, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1363,1364,1365,
 &end
#
#  116 GLN  HB-          38 TYR  HD          6.00    (#     69:22  Unique         6.18, 9.07 A)
 &rst
  ixpk= 69, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1942,1943,
 igr2= 673, 682,
 &end
#
#    0 AMB  22-2:71      60 MET  ME          4.50    (#     71:22  Single Ambig)
 &rst
  ixpk= 71, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1111,1112,1113,1453,1454,1455,1457,1458,1459,1453,
      1454,1455,1457,1458,1459,
 igr2=1047,1048,1049,
 &end
#
#   35 ILE  HG1+         67 ILE  QD1         6.00    (#     72:22  Unique         4.38, 6.65 A)
 &rst
  ixpk= 72, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 617, 618,
 igr2=1171,1172,1173,
 &end
#
#    0 AMB  22-2:73       0 AMB  22-1:73     3.50    (#     73:22  Double Ambig)
 &rst
  ixpk= 73, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=2181,2182,2183,2185,2186,2187, 578, 579, 580, 582,
       583, 584,
 igr2=1145,1146,1147, 613, 614, 615,
 &end
#
#  132 LEU  MDY          66 ILE  HG1-        4.50    (#     74:22  Unique         1.96, 5.93 A)
 &rst
  ixpk= 74, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=2181,2182,2183,2185,2186,2187,
 igr2=1149,1150,
 &end
#
#    0 AMB  22-2:75       0 AMB  22-1:75     4.50    (#     75:22  Double Ambig)
 &rst
  ixpk= 75, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1904,1913, 265, 266,
 igr2= 648, 649, 187, 188,
 &end
#
#    0 AMB  22-2:76      63 LEU  MDX         6.00    (#     76:22  Single Ambig)
 &rst
  ixpk= 76, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.09, r4=13.59,
 igr1=1418,1419,1420,1422,1423,1424, 578, 579, 580, 582,
       583, 584, 578, 579, 580, 582, 583, 584,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:80      35 ILE  QD1         8.00    (#     80:22  Single Ambig)
 &rst
  ixpk= 80, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 915, 923, 654,
 igr2= 620, 621, 622,
 &end
#
#    0 AMB  22-2:81      88 MET  ME          8.00    (#     81:22  Single Ambig)
 &rst
  ixpk= 81, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1520,1521,1520,1521,
 igr2=1524,1525,1526,
 &end
#
#    0 AMB  22-2:82       0 AMB  22-1:82     4.50    (#     82:22  Double Ambig)
 &rst
  ixpk= 82, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=2162,2163,2164,2166,2167,2168,2162,2163,2164,2166,
      2167,2168,
 igr2= 862, 863, 862, 863,
 &end
#
#    0 AMB  22-2:83     114 ALA  MB          8.00    (#     83:22  Single Ambig)
 &rst
  ixpk= 83, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1950,1951, 764, 765,
 igr2=1921,1922,1923,
 &end
#
#    0 AMB  22-2:84      53 LEU  MDX         8.00    (#     84:22  Single Ambig)
 &rst
  ixpk= 84, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1= 562, 563, 911, 912,2051,2052,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#  131 VAL  HB           53 LEU  MDX         8.00    (#     85:22  Unique         3.96, 6.33 A)
 &rst
  ixpk= 85, nxpk= 22, iat=2160,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   54 VAL  HA           53 LEU  MDX         6.00    (#     86:22  Unique         4.40, 6.88 A)
 &rst
  ixpk= 86, nxpk= 22, iat= 948,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   19 ASP  HA           53 LEU  MDX         6.00    (#     87:22  Unique         7.17, 8.94 A)
 &rst
  ixpk= 87, nxpk= 22, iat= 327,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#  132 LEU  HA           53 LEU  HB+         8.00    (#     88:22  Unique         6.88, 8.06 A)
 &rst
  ixpk= 88, nxpk= 22, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 931, 932,
 &end
#
#    0 AMB  22-2:90       0 AMB  22-1:90     8.00    (#     90:22  Double Ambig)
 &rst
  ixpk= 90, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=2066,2067,2066,2067,
 igr2= 898, 899, 898, 899,
 &end
#
#  123 GLU  HG+          49 LYS  HB+         8.00    (#     91:22  Unique         1.92, 3.76 A)
 &rst
  ixpk= 91, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2054,2055,
 igr2= 853, 854,
 &end
#
#    0 AMB  22-2:92      54 VAL  HB          8.00    (#     92:22  Single Ambig)
 &rst
  ixpk= 92, nxpk= 22, iat=  -1, 950, r1= 1.30, r2= 1.80, r3=12.56, r4=13.06,
 igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584, 578,
       579, 580, 582, 583, 584,
 &end
#
#    0 AMB  22-2:94      54 VAL  HB          8.00    (#     94:22  Single Ambig)
 &rst
  ixpk= 94, nxpk= 22, iat=  -1, 950, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1=1625,1626,1627,1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:95       0 AMB  22-1:95     6.00    (#     95:22  Double Ambig)
 &rst
  ixpk= 95, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 379, 441,
 igr2= 443, 444, 443, 444, 443, 444,
 &end
#
#    0 AMB  22-2:96      71 LEU  MDX         6.00    (#     96:22  Single Ambig)
 &rst
  ixpk= 96, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.66, r4=12.16,
 igr1=1294,1295,1296,1298,1299,1300,1164,1165,1166,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   73 LEU  MDY          71 LEU  MDX         8.00    (#     97:22  Unique         1.72, 7.10 A)
 &rst
  ixpk= 97, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  22-2:98      71 LEU  MDX         8.00    (#     98:22  Single Ambig)
 &rst
  ixpk= 98, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.32, r4=16.82,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  22-2:99      71 LEU  MDX         8.00    (#     99:22  Single Ambig)
 &rst
  ixpk= 99, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1232,1233, 617, 618,1292,1162,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#   36 GLU  HA           71 LEU  MDX         8.00    (#    100:22  Unique         5.77, 8.22 A)
 &rst
  ixpk= 100, nxpk= 22, iat= 628,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#  113 TYR  HD           71 LEU  MDX         8.00    (#    101:22  Unique         3.19, 6.89 A)
 &rst
  ixpk= 101, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1904,1913,
 igr2=1258,1259,1260,1262,1263,1264,
 &end
#
#    0 AMB  22-2:102      0 AMB  22-1:102    8.00    (#    102:22  Double Ambig)
 &rst
  ixpk= 102, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
 igr1= 184, 185, 402, 403, 404,
 igr2= 277, 278, 277, 278, 422, 423,
 &end
#
#   73 LEU  MDY          45 PRO  HG+         8.00    (#    103:22  Unique         1.85, 6.13 A)
 &rst
  ixpk= 103, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2= 792, 793,
 &end
#
#   71 LEU  MDY          45 PRO  HG-         6.00    (#    104:22  Unique         5.72, 9.66 A)
 &rst
  ixpk= 104, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2= 792, 793,
 &end
#
#   44 LEU  MDY          73 LEU  MDX         8.00    (#    105:22  Unique         1.28, 5.54 A)
 &rst
  ixpk= 105, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#   71 LEU  MDX          73 LEU  MDX         8.00    (#    106:22  Unique         1.72, 7.10 A)
 &rst
  ixpk= 106, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1258,1259,1260,1262,1263,1264,
 igr2=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  22-2:107     63 LEU  MDX         8.00    (#    107:22  Single Ambig)
 &rst
  ixpk= 107, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=15.55, r4=16.05,
 igr1=1164,1165,1166,2212,2213,2214,2216,2217,2218,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  22-2:108     63 LEU  MDX         8.00    (#    108:22  Single Ambig)
 &rst
  ixpk= 108, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1616,1149,1150,
 igr2=1088,1089,1090,1092,1093,1094,
 &end
#
#   31 ILE  QG2         109 LEU  MDX         8.00    (#    109:22  Unique         2.09, 5.51 A)
 &rst
  ixpk= 109, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1= 545, 546, 547,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#   95 ILE  QD1         109 LEU  MDX         8.00    (#    110:22  Unique         2.19, 5.92 A)
 &rst
  ixpk= 110, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1625,1626,1627,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  22-2:111    109 LEU  MDX         8.00    (#    111:22  Single Ambig)
 &rst
  ixpk= 111, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.32, r4=16.82,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#  111 MET  ME          109 LEU  MDX         8.00    (#    112:22  Unique         2.01, 5.44 A)
 &rst
  ixpk= 112, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=1874,1875,1876,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  22-2:113    109 LEU  MDX         8.00    (#    113:22  Single Ambig)
 &rst
  ixpk= 113, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1811,1819,1681,1690,
 igr2=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  22-2:114      0 AMB  22-1:114    8.00    (#    114:22  Double Ambig)
 &rst
  ixpk= 114, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=17.46, r4=17.96,
 igr1= 952, 953, 954, 956, 957, 958,2181,2182,2183,2185,
      2186,2187,2162,2163,2164,2166,2167,2168,
 igr2= 524, 525, 524, 525, 524, 525,
 &end
#
#    0 AMB  22-2:115     30 LYS  HG-         8.00    (#    115:22  Single Ambig)
 &rst
  ixpk= 115, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=2212,2213,2214,2216,2217,2218,2162,2163,2164,2166,
      2167,2168,2162,2163,2164,2166,2167,2168,
 igr2= 524, 525,
 &end
#
#   45 PRO  HD-          44 LEU  MDY         8.00    (#    116:22  Unique         2.84, 5.39 A)
 &rst
  ixpk= 116, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 789, 790,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  22-2:117     44 LEU  MDY         8.00    (#    117:22  Single Ambig)
 &rst
  ixpk= 117, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1= 789, 790, 804,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#    0 AMB  22-2:118     44 LEU  MDY         8.00    (#    118:22  Single Ambig)
 &rst
  ixpk= 118, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1377,1385,1397,1405,
 igr2= 778, 779, 780, 782, 783, 784,
 &end
#
#   38 TYR  HD          114 ALA  MB          8.00    (#    119:22  Unique         1.65, 4.58 A)
 &rst
  ixpk= 119, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 673, 682,
 igr2=1921,1922,1923,
 &end
#
#   80 PHE  HE          114 ALA  MB          8.00    (#    120:22  Unique         7.38, 9.08 A)
 &rst
  ixpk= 120, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1399,1403,
 igr2=1921,1922,1923,
 &end
#
#  113 TYR  HD            0 AMB  22-1:121    8.00    (#    121:22  Single Ambig)
 &rst
  ixpk= 121, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.59, r4=14.09,
 igr1=1904,1913,
 igr2=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   32 PRO  HA           53 LEU  MDY         8.00    (#    122:22  Unique         1.57, 3.68 A)
 &rst
  ixpk= 122, nxpk= 22, iat= 568,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 936, 937, 938, 940, 941, 942,
 &end
#
#   21 ARG  HN           20 VAL  MGX         8.00    (#    124:22  Unique         3.21, 4.78 A)
 &rst
  ixpk= 124, nxpk= 22, iat= 353,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#  108 PHE  HD           20 VAL  MGX         8.00    (#    126:22  Unique         1.62, 5.19 A)
 &rst
  ixpk= 126, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1811,1819,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  22-2:127     20 VAL  MGX         8.00    (#    127:22  Single Ambig)
 &rst
  ixpk= 127, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=16.08, r4=16.58,
 igr1= 402, 403, 404, 892, 893, 386, 387, 388, 390, 391,
       392,
 igr2= 343, 344, 345, 347, 348, 349,
 &end
#
#   79 PHE  HN           78 ALA  MB          8.00    (#    128:22  Unique         2.40, 3.51 A)
 &rst
  ixpk= 128, nxpk= 22, iat=1369,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1363,1364,1365,
 &end
#
#   53 LEU  HN           23 ILE  QG2         8.00    (#    129:22  Unique         8.54, 9.89 A)
 &rst
  ixpk= 129, nxpk= 22, iat= 927,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2= 402, 403, 404,
 &end
#
#   79 PHE  HZ           67 ILE  QG2         8.00    (#    130:22  Unique         2.23, 3.78 A)
 &rst
  ixpk= 130, nxpk= 22, iat=1381,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1164,1165,1166,
 &end
#
#   79 PHE  HE           67 ILE  QG2         8.00    (#    131:22  Unique         2.06, 4.58 A)
 &rst
  ixpk= 131, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1379,1383,
 igr2=1164,1165,1166,
 &end
#
#    0 AMB  22-2:132     66 ILE  QG2         8.00    (#    132:22  Single Ambig)
 &rst
  ixpk= 132, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2222,2191,
 igr2=1145,1146,1147,
 &end
#
#   52 PHE  HD           35 ILE  QG2         8.00    (#    133:22  Unique         1.75, 4.69 A)
 &rst
  ixpk= 133, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 915, 923,
 igr2= 613, 614, 615,
 &end
#
#  132 LEU  HA           66 ILE  QG2         8.00    (#    134:22  Unique         4.94, 5.95 A)
 &rst
  ixpk= 134, nxpk= 22, iat=2174,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1145,1146,1147,
 &end
#
#    0 AMB  22-2:135     31 ILE  QG2         8.00    (#    135:22  Single Ambig)
 &rst
  ixpk= 135, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1681,1690,1811,1819,
 igr2= 545, 546, 547,
 &end
#
#    0 AMB  22-2:136     66 ILE  QD1         8.00    (#    136:22  Single Ambig)
 &rst
  ixpk= 136, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=2191,2222,
 igr2=1152,1153,1154,
 &end
#
#   52 PHE  HD           66 ILE  QD1         8.00    (#    137:22  Unique         2.61, 7.83 A)
 &rst
  ixpk= 137, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 915, 923,
 igr2=1152,1153,1154,
 &end
#
#   63 LEU  HA           66 ILE  QD1         8.00    (#    138:22  Unique         2.77, 4.89 A)
 &rst
  ixpk= 138, nxpk= 22, iat=1081,  -1, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr2=1152,1153,1154,
 &end
#
#  129 TYR  HE           51 LYS  HD+         8.00    (#    140:22  Unique         6.87, 9.72 A)
 &rst
  ixpk= 140, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=2130,2135,
 igr2= 895, 896,
 &end
#
#    0 AMB  22-2:141      0 AMB  22-1:141    8.00    (#    141:22  Double Ambig)
 &rst
  ixpk= 141, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
 igr1=1088,1089,1090,1092,1093,1094,1625,1626,1627,1012,
      1013,1014,1016,1017,1018,
 igr2=1616, 543,
 &end
#
#    0 AMB  22-2:142      0 AMB  22-1:142    8.00    (#    142:22  Double Ambig)
 &rst
  ixpk= 142, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.94, r4=14.44,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584, 931, 932,
 igr2= 543,1616,
 &end
#
#    0 AMB  22-2:143     66 ILE  HB          8.00    (#    143:22  Single Ambig)
 &rst
  ixpk= 143, nxpk= 22, iat=  -1,1143, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1=1145,1146,1147,2181,2182,2183,2185,2186,2187,
 &end
#
#    0 AMB  22-2:144      0 AMB  22-1:144    6.00    (#    144:22  Double Ambig)
 &rst
  ixpk= 144, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.26, r4=14.76,
 igr1=2181,2182,2183,2185,2186,2187,1418,1419,1420,1422,
      1423,1424,1104,1105,1106,1618,1619,1620,
 igr2= 969, 970,1520,1521,1520,1521,1520,1521, 969, 970,
      
 &end
#
#    0 AMB  22-2:145      0 AMB  22-1:145    6.00    (#    145:22  Double Ambig)
 &rst
  ixpk= 145, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.97, r4=12.47,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833, 808, 809, 810, 812, 813, 814,1618,1619,
      1620,
 igr2= 795, 796,1010,
 &end
#
#   95 ILE  QG2          55 PRO  HB-         8.00    (#    146:22  Unique         7.43, 8.40 A)
 &rst
  ixpk= 146, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1618,1619,1620,
 igr2= 969, 970,
 &end
#
#    0 AMB  22-2:149     38 TYR  HD          8.00    (#    149:22  Single Ambig)
 &rst
  ixpk= 149, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1= 690, 691, 740, 741,
 igr2= 673, 682,
 &end
#
#    0 AMB  22-2:150      0 AMB  22-1:150    8.00    (#    150:22  Double Ambig)
 &rst
  ixpk= 150, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.95, r4=13.45,
 igr1=  11,  12,2077,2078, 911, 912,
 igr2= 187, 188, 934,
 &end
#
#    0 AMB  22-2:151     11 ARG  HG-         8.00    (#    151:22  Single Ambig)
 &rst
  ixpk= 151, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 327, 206,
 igr2= 187, 188,
 &end
#
#    0 AMB  22-2:152      0 AMB  22-1:152    6.00    (#    152:22  Double Ambig)
 &rst
  ixpk= 152, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 859, 860, 859, 860,
 igr2= 856, 857, 856, 857,
 &end
#
#   80 PHE  HD           78 ALA  MB          8.00    (#    153:22  Unique         2.65, 6.24 A)
 &rst
  ixpk= 153, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1397,1405,
 igr2=1363,1364,1365,
 &end
#
#    0 AMB  22-2:156     46 VAL  MGX         8.00    (#    156:22  Single Ambig)
 &rst
  ixpk= 156, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.10, r4=14.60,
 igr1= 795, 796, 825,   8,   9,
 igr2= 808, 809, 810, 812, 813, 814,
 &end
#
#   28 PRO  HB-          29 THR  MG2         8.00    (#    157:22  Unique         3.87, 5.65 A)
 &rst
  ixpk= 157, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 496, 497,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  22-2:158     81 LEU  MDX         8.00    (#    158:22  Single Ambig)
 &rst
  ixpk= 158, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1108,1109,1867,1868,1867,1868,
 igr2=1418,1419,1420,1422,1423,1424,
 &end
#
#    0 AMB  22-2:159     29 THR  MG2         8.00    (#    159:22  Single Ambig)
 &rst
  ixpk= 159, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 493, 494, 493, 494,
 igr2= 509, 510, 511,
 &end
#
#    0 AMB  22-2:160     83 VAL  MGY         8.00    (#    160:22  Single Ambig)
 &rst
  ixpk= 160, nxpk= 22, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=14.54, r4=15.04,
 igr1=1047,1048,1049,1451,1867,1868,
 igr2=1453,1454,1455,1457,1458,1459,
 &end
#
#    0 AMB  10-2:0       78 ALA  HN          3.50    (#      0:10  Single Ambig)
 &rst
  ixpk= 0, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1344,1931,1932,
 &end
#
#   78 ALA  HA           78 ALA  HN          6.00    (#      1:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1361,1359, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ALA  MB           78 ALA  HN          4.50    (#      2:10  Unique         2.48, 3.07 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1363,1364,1365,
 &end
#
#   38 TYR  HA           39 LYS  HN          4.50    (#      3:10  Unique         2.13, 2.15 A)
 &rst
  ixpk= 3, nxpk= 10, iat= 667, 686, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 LYS  HA           39 LYS  HN          6.00    (#      4:10  Unique         2.69, 2.76 A)
 &rst
  ixpk= 4, nxpk= 10, iat= 688, 686, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 LYS  HB-          39 LYS  HN          6.00    (#      5:10  Unique         2.08, 3.02 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 690, 691,
 &end
#
#   39 LYS  HG+          39 LYS  HN          6.00    (#      6:10  Unique         1.93, 3.03 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 693, 694,
 &end
#
#   39 LYS  HB+          39 LYS  HN          6.00    (#      7:10  Unique         2.08, 3.02 A)
 &rst
  ixpk= 7, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 690, 691,
 &end
#
#   38 TYR  HA           38 TYR  HN          6.00    (#      8:10  Unique         2.77, 2.79 A)
 &rst
  ixpk= 8, nxpk= 10, iat= 667, 665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HB+          38 TYR  HN          6.00    (#      9:10  Unique         2.24, 3.00 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#    0 AMB  10-2:10      38 TYR  HN          3.50    (#     10:10  Single Ambig)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 643, 669, 670,
 &end
#
#    0 AMB  10-2:11      38 TYR  HN          6.00    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1900,1901, 719, 720, 722, 723,
 &end
#
#   37 ARG  HG+          38 TYR  HN          6.00    (#     12:10  Unique         2.42, 3.98 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 648, 649,
 &end
#
#    0 AMB  10-2:13      38 TYR  HN          6.00    (#     13:10  Single Ambig)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1921,1922,1923, 645, 646,
 &end
#
#    0 AMB  10-2:14      38 TYR  HN          6.00    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   46 VAL  HA           47 LEU  HN          6.00    (#     15:10  Unique         2.13, 2.19 A)
 &rst
  ixpk= 15, nxpk= 10, iat= 804, 818, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:16      47 LEU  HN          4.50    (#     16:10  Single Ambig)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 825, 822, 823,
 &end
#
#   46 VAL  MGX          47 LEU  HN          6.00    (#     17:10  Unique         2.55, 4.74 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 808, 809, 810, 812, 813, 814,
 &end
#
#  109 LEU  HB+          34 ILE  HN          8.00    (#     18:10  Unique         2.98, 4.02 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1827,1828,
 &end
#
#   34 ILE  HB           34 ILE  HN          6.00    (#     19:10  Unique         2.32, 2.65 A)
 &rst
  ixpk= 19, nxpk= 10, iat= 592, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:20      34 ILE  HN          6.00    (#     20:10  Single Ambig)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#  110 TYR  HB+         110 TYR  HN          6.00    (#     21:10  Unique         2.05, 2.84 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1846,1847,
 &end
#
#  110 TYR  HB-         110 TYR  HN          6.00    (#     22:10  Unique         2.05, 2.84 A)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1846,1847,
 &end
#
#  109 LEU  MDY         110 TYR  HN          6.00    (#     23:10  Unique         1.77, 4.55 A)
 &rst
  ixpk= 23, nxpk= 10, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#   84 ASN  HA           84 ASN  HN          3.50    (#     24:10  Unique         2.30, 2.30 A)
 &rst
  ixpk= 24, nxpk= 10, iat=1465,1463, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:25      80 PHE  HN          6.00    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1393,1394,1373,1374,
 &end
#
#   80 PHE  HB-          80 PHE  HN          6.00    (#     26:10  Unique         2.28, 3.25 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1393,1394,
 &end
#
#   82 LEU  HB+          82 LEU  HN          6.00    (#     27:10  Unique         2.22, 3.19 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1432,1433,
 &end
#
#    0 AMB  10-2:28      82 LEU  HN          6.00    (#     28:10  Single Ambig)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1435,1413,1414,
 &end
#
#    0 AMB  10-2:29      82 LEU  HN          6.00    (#     29:10  Single Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1=1432,1433,1886,1887,1888,1890,1891,1892,1886,1887,
      1888,1890,1891,1892,
 &end
#
#    0 AMB  10-2:30      82 LEU  HN          6.00    (#     30:10  Single Ambig)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 &end
#
#    0 AMB  10-2:31      82 LEU  HN          6.00    (#     31:10  Single Ambig)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    6 THR  HA            7 PHE  HN          6.00    (#     32:10  Unique         2.27, 2.57 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  85,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 PHE  HB+           7 PHE  HN          6.00    (#     33:10  Unique         2.07, 2.82 A)
 &rst
  ixpk= 33, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 101, 102,
 &end
#
#    0 AMB  10-2:34      88 MET  HN          6.00    (#     34:10  Single Ambig)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1520,1521,1520,1521,
 &end
#
#   88 MET  HB-          88 MET  HN          6.00    (#     35:10  Unique         2.20, 2.91 A)
 &rst
  ixpk= 35, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1517,1518,
 &end
#
#  105 GLU  HA          105 GLU  HN          6.00    (#     37:10  Unique         2.77, 2.79 A)
 &rst
  ixpk= 37, nxpk= 10, iat=1771,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:38     105 GLU  HN          6.00    (#     38:10  Single Ambig)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1776,1777,1776,1777,
 &end
#
#    0 AMB  10-2:39     105 GLU  HN          4.50    (#     39:10  Single Ambig)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1773,1774,1773,1774,
 &end
#
#   33 VAL  HB           33 VAL  HN          6.00    (#     40:10  Unique         2.66, 2.97 A)
 &rst
  ixpk= 40, nxpk= 10, iat= 576, 572, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:41      33 VAL  HN          4.50    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#   94 PRO  HA           95 ILE  HN          6.00    (#     42:10  Unique         2.22, 2.33 A)
 &rst
  ixpk= 42, nxpk= 10, iat=1608,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   94 PRO  HB-          95 ILE  HN          6.00    (#     43:10  Unique         2.23, 3.27 A)
 &rst
  ixpk= 43, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1605,1606,
 &end
#
#   95 ILE  HB           95 ILE  HN          6.00    (#     44:10  Unique         2.16, 2.37 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1616,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ILE  QG2          95 ILE  HN          6.00    (#     45:10  Unique         2.16, 3.36 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1618,1619,1620,
 &end
#
#   75 ALA  MB           75 ALA  HN          6.00    (#     46:10  Unique         2.47, 2.92 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1322,1323,1324,
 &end
#
#    0 AMB  10-2:47      36 GLU  HN          6.00    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   35 ILE  HG1+         36 GLU  HN          6.00    (#     48:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 617, 618,
 &end
#
#  103 LYS  HA          104 ASP  HN          4.50    (#     49:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 49, nxpk= 10, iat=1737,1757, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  104 ASP  HB+         104 ASP  HN          6.00    (#     50:10  Unique         2.45, 2.94 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1761,1762,
 &end
#
#  104 ASP  HB-         104 ASP  HN          6.00    (#     51:10  Unique         2.45, 2.94 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1761,1762,
 &end
#
#  103 LYS  HB+         104 ASP  HN          6.00    (#     52:10  Unique         3.11, 3.99 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1739,1740,
 &end
#
#  103 LYS  HB-         104 ASP  HN          6.00    (#     53:10  Unique         3.11, 3.99 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1739,1740,
 &end
#
#    0 AMB  10-2:54      37 ARG  HN          6.00    (#     54:10  Single Ambig)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 643, 651, 652,
 &end
#
#   37 ARG  HB+          37 ARG  HN          6.00    (#     55:10  Unique         2.07, 2.80 A)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#   37 ARG  HB-          37 ARG  HN          6.00    (#     56:10  Unique         2.07, 2.80 A)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 645, 646,
 &end
#
#    0 AMB  10-2:57      37 ARG  HN          6.00    (#     57:10  Single Ambig)
 &rst
  ixpk= 57, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 633, 634, 633, 634,
 &end
#
#   58 VAL  HA           59 ASN  HN          4.50    (#     58:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 58, nxpk= 10, iat=1008,1022, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 ILE  HG1+         37 ARG  HN          4.50    (#     59:10  Unique         4.35, 5.36 A)
 &rst
  ixpk= 59, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 617, 618,
 &end
#
#    0 AMB  10-2:60      83 VAL  HN          4.50    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#    0 AMB  10-2:61      83 VAL  HN          4.50    (#     61:10  Single Ambig)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1451,1517,1518,
 &end
#
#    0 AMB  10-2:62       4 GLU  HN          6.00    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  37,  31,
 &end
#
#    0 AMB  10-2:63       4 GLU  HN          8.00    (#     63:10  Single Ambig)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=   8,   9,  50,  51,
 &end
#
#    0 AMB  10-2:64       4 GLU  HN          6.00    (#     64:10  Single Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=   8,   9,  50,  51,
 &end
#
#    0 AMB  10-2:65      36 GLU  HN          6.00    (#     65:10  Single Ambig)
 &rst
  ixpk= 65, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 633, 634, 633, 634,
 &end
#
#   70 ARG  HA           70 ARG  HN          6.00    (#     66:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 66, nxpk= 10, iat=1227,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 ILE  HA           70 ARG  HN          6.00    (#     67:10  Unique         3.00, 3.29 A)
 &rst
  ixpk= 67, nxpk= 10, iat=1160,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:68      70 ARG  HN          4.50    (#     68:10  Single Ambig)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1229,1230,1229,1230,1205,1206,
 &end
#
#    0 AMB  10-2:69      70 ARG  HN          6.00    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1208,1209,1232,1233,
 &end
#
#   13 PHE  HA           13 PHE  HN          6.00    (#     70:10  Unique         2.64, 2.74 A)
 &rst
  ixpk= 70, nxpk= 10, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  MG2          13 PHE  HN          6.00    (#     71:10  Unique         3.41, 4.09 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 210, 211, 212,
 &end
#
#    0 AMB  10-2:72       0 AMB  10-1:72     6.00    (#     72:10  Double Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 952, 953, 954, 956, 957, 958, 549, 550,
 igr2= 946,1022,
 &end
#
#   31 ILE  HB           54 VAL  HN          6.00    (#     73:10  Unique         2.75, 3.31 A)
 &rst
  ixpk= 73, nxpk= 10, iat= 543, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:74      54 VAL  HN          3.50    (#     74:10  Single Ambig)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 931, 932, 952, 953, 954, 956, 957, 958,
 &end
#
#   53 LEU  MDY          54 VAL  HN          6.00    (#     75:10  Unique         2.25, 5.03 A)
 &rst
  ixpk= 75, nxpk= 10, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   62 GLU  HA           62 GLU  HN          6.00    (#     76:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 76, nxpk= 10, iat=1066,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 GLU  HB-          62 GLU  HN          6.00    (#     78:10  Unique         2.06, 2.54 A)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1068,1069,
 &end
#
#    0 AMB  10-2:79      62 GLU  HN          6.00    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
      1093,1094,
 &end
#
#   97 GLU  HA           97 GLU  HN          6.00    (#     80:10  Unique         2.77, 2.79 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1644,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:81      97 GLU  HN          6.00    (#     81:10  Single Ambig)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1635,1636,1635,1636,
 &end
#
#    0 AMB  10-2:82      97 GLU  HN          2.80    (#     82:10  Single Ambig)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 4.11, r4= 4.61,
 igr1=1646,1647,1646,1647,1602,1603,1602,1603,1605,1606,
      
 &end
#
#   93 THR  MG2          97 GLU  HN          6.00    (#     83:10  Unique         3.46, 5.06 A)
 &rst
  ixpk= 83, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1590,1591,1592,
 &end
#
#   98 VAL  MGY          97 GLU  HN          6.00    (#     84:10  Unique         4.09, 6.33 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#   97 GLU  HG+          97 GLU  HN          6.00    (#     85:10  Unique         4.40, 4.47 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1649,1650,
 &end
#
#   31 ILE  HB           31 ILE  HN          6.00    (#     86:10  Unique         2.38, 2.79 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 543, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HB-          31 ILE  HN          6.00    (#     87:10  Unique         2.18, 3.40 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 521, 522,
 &end
#
#    0 AMB  10-2:88      31 ILE  HN          6.00    (#     88:10  Single Ambig)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1618,1619,1620, 578, 579, 580, 582, 583, 584, 402,
       403, 404,
 &end
#
#   31 ILE  QG2          31 ILE  HN          6.00    (#     89:10  Unique         4.08, 4.73 A)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 545, 546, 547,
 &end
#
#   41 GLU  HA           41 GLU  HN          6.00    (#     90:10  Unique         2.97, 2.97 A)
 &rst
  ixpk= 90, nxpk= 10, iat= 717, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:91      41 GLU  HN          6.00    (#     91:10  Single Ambig)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 719, 720, 722, 723,
 &end
#
#   41 GLU  HB-          41 GLU  HN          6.00    (#     92:10  Unique         2.49, 2.94 A)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 719, 720,
 &end
#
#   95 ILE  QG2           0 AMB  10-1:93     6.00    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1618,1619,1620,
 igr2=1006,1642,
 &end
#
#    0 AMB  10-2:94      58 VAL  HN          6.00    (#     94:10  Single Ambig)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1008, 978,
 &end
#
#    0 AMB  10-2:95      58 VAL  HN          4.50    (#     95:10  Single Ambig)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
      1093,1094,
 &end
#
#   22 LEU  HB+          23 ILE  HN          6.00    (#     97:10  Unique         2.88, 3.85 A)
 &rst
  ixpk= 97, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 381, 382,
 &end
#
#   22 LEU  HB-          23 ILE  HN          6.00    (#     98:10  Unique         2.88, 3.85 A)
 &rst
  ixpk= 98, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 381, 382,
 &end
#
#   22 LEU  MDY          23 ILE  HN          6.00    (#     99:10  Unique         1.45, 3.61 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 386, 387, 388, 390, 391, 392,
 &end
#
#  119 PHE  HB+         119 PHE  HN          6.00    (#    100:10  Unique         2.18, 3.19 A)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1988,1989,
 &end
#
#  118 THR  HA          119 PHE  HN          4.50    (#    101:10  Unique         2.14, 2.37 A)
 &rst
  ixpk= 101, nxpk= 10, iat=1972,1984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  118 THR  HB          119 PHE  HN          6.00    (#    102:10  Unique         1.97, 2.89 A)
 &rst
  ixpk= 102, nxpk= 10, iat=1974,1984, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  119 PHE  HB-         119 PHE  HN          6.00    (#    103:10  Unique         2.18, 3.19 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1988,1989,
 &end
#
#  118 THR  MG2         119 PHE  HN          6.00    (#    104:10  Unique         2.82, 4.20 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1976,1977,1978,
 &end
#
#   80 PHE  HA           81 LEU  HN          3.50    (#    105:10  Unique         2.13, 2.18 A)
 &rst
  ixpk= 105, nxpk= 10, iat=1391,1409, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   81 LEU  HB-          81 LEU  HN          6.00    (#    106:10  Unique         2.17, 2.87 A)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1413,1414,
 &end
#
#   73 LEU  HA           74 ASN  HN          4.50    (#    107:10  Unique         2.14, 2.72 A)
 &rst
  ixpk= 107, nxpk= 10, iat=1287,1304, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 ASN  HB+          74 ASN  HN          6.00    (#    108:10  Unique         2.06, 3.16 A)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1308,1309,
 &end
#
#   74 ASN  HB-          74 ASN  HN          6.00    (#    109:10  Unique         2.06, 3.16 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1308,1309,
 &end
#
#   73 LEU  HB-          74 ASN  HN          6.00    (#    110:10  Unique         2.09, 3.69 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1289,1290,
 &end
#
#   73 LEU  MDY          74 ASN  HN          6.00    (#    111:10  Unique         3.48, 5.67 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   24 ARG  HB+          24 ARG  HN          6.00    (#    112:10  Unique         2.19, 2.88 A)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 419, 420,
 &end
#
#    0 AMB  10-2:113     24 ARG  HN          6.00    (#    113:10  Single Ambig)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 419, 420, 422, 423,
 &end
#
#   23 ILE  QG2          24 ARG  HN          6.00    (#    114:10  Unique         2.04, 2.78 A)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 402, 403, 404,
 &end
#
#    5 LYS  HA            5 LYS  HN          6.00    (#    115:10  Unique         2.81, 2.87 A)
 &rst
  ixpk= 115, nxpk= 10, iat=  63,  61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 GLU  HA            5 LYS  HN          6.00    (#    116:10  Unique         2.47, 2.80 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  48,  61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:117      5 LYS  HN          4.50    (#    117:10  Single Ambig)
 &rst
  ixpk= 117, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  65,  66,  65,  66,
 &end
#
#    0 AMB  10-2:118      5 LYS  HN          6.00    (#    118:10  Single Ambig)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  68,  69,  71,  72,
 &end
#
#    0 AMB  10-2:119     98 VAL  HN          6.00    (#    119:10  Single Ambig)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1614,1633,1713,1714,1713,1714,1635,1636,1635,1636,
      
 &end
#
#   98 VAL  HA           98 VAL  HN          6.00    (#    120:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 120, nxpk= 10, iat=1659,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:121     98 VAL  HN          3.50    (#    121:10  Single Ambig)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1646,1647,1661,
 &end
#
#   93 THR  MG2          98 VAL  HN          6.00    (#    122:10  Unique         3.85, 4.56 A)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1590,1591,1592,
 &end
#
#   98 VAL  MGY          98 VAL  HN          3.50    (#    123:10  Unique         1.86, 3.73 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#   97 GLU  HA           98 VAL  HN          6.00    (#    124:10  Unique         3.53, 3.55 A)
 &rst
  ixpk= 124, nxpk= 10, iat=1644,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:125      0 AMB  10-1:125    6.00    (#    125:10  Double Ambig)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.31, r4= 9.81,
 igr1= 950,1143,1121,1122,1205,1206,1102,
 igr2= 976,1158,
 &end
#
#   67 ILE  HA           67 ILE  HN          6.00    (#    126:10  Unique         2.83, 2.86 A)
 &rst
  ixpk= 126, nxpk= 10, iat=1160,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:127      0 AMB  10-1:127    6.00    (#    127:10  Double Ambig)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1149,1150, 543,
 igr2=1158, 976,
 &end
#
#    0 AMB  10-2:128      0 AMB  10-1:128    4.50    (#    128:10  Double Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=1162, 527, 528, 527, 528,
 igr2=1158, 976,
 &end
#
#   67 ILE  HG1-         67 ILE  HN          6.00    (#    129:10  Unique         2.20, 3.77 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1168,1169,
 &end
#
#    0 AMB  10-2:130      0 AMB  10-1:130    6.00    (#    130:10  Double Ambig)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 952, 953, 954, 956, 957, 958,1149,1150,1168,1169,
      
 igr2= 976,1158,
 &end
#
#   66 ILE  QG2          67 ILE  HN          6.00    (#    131:10  Unique         1.91, 2.86 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1145,1146,1147,
 &end
#
#   67 ILE  QG2          67 ILE  HN          6.00    (#    132:10  Unique         2.49, 4.05 A)
 &rst
  ixpk= 132, nxpk= 10, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1164,1165,1166,
 &end
#
#    0 AMB  10-2:133      0 AMB  10-1:133    6.00    (#    133:10  Double Ambig)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1171,1172,1173, 552, 553, 554,
 igr2=1158, 976,
 &end
#
#   43 GLN  HG+          44 LEU  HN          6.00    (#    134:10  Unique         1.83, 3.81 A)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 759, 760,
 &end
#
#   43 GLN  HB+          44 LEU  HN          6.00    (#    135:10  Unique         1.88, 2.72 A)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 756, 757,
 &end
#
#   44 LEU  HG           44 LEU  HN          6.00    (#    136:10  Unique         1.79, 2.05 A)
 &rst
  ixpk= 136, nxpk= 10, iat= 776, 769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:137     44 LEU  HN          6.00    (#    137:10  Single Ambig)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 773, 774, 645, 646,
 &end
#
#   44 LEU  MDY          44 LEU  HN          6.00    (#    138:10  Unique         1.82, 4.09 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   55 PRO  HA           56 ASP  HN          4.50    (#    139:10  Unique         2.67, 2.78 A)
 &rst
  ixpk= 139, nxpk= 10, iat= 972, 976, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 ASP  HA           56 ASP  HN          6.00    (#    140:10  Unique         2.32, 2.35 A)
 &rst
  ixpk= 140, nxpk= 10, iat= 978, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 ASP  HB+          56 ASP  HN          6.00    (#    141:10  Unique         2.66, 3.16 A)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 980, 981,
 &end
#
#   56 ASP  HB-          56 ASP  HN          6.00    (#    142:10  Unique         2.66, 3.16 A)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 980, 981,
 &end
#
#   55 PRO  HB+          56 ASP  HN          6.00    (#    143:10  Unique         4.34, 4.53 A)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 969, 970,
 &end
#
#   60 MET  HA           63 LEU  HN          6.00    (#    144:10  Unique         3.21, 3.88 A)
 &rst
  ixpk= 144, nxpk= 10, iat=1038,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:145     63 LEU  HN          6.00    (#    145:10  Single Ambig)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1081,1066,
 &end
#
#   62 GLU  HB+          63 LEU  HN          6.00    (#    146:10  Unique         1.85, 2.76 A)
 &rst
  ixpk= 146, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1068,1069,
 &end
#
#   63 LEU  HB+          63 LEU  HN          6.00    (#    147:10  Unique         2.05, 3.00 A)
 &rst
  ixpk= 147, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1083,1084,
 &end
#
#   62 GLU  HB-          63 LEU  HN          6.00    (#    148:10  Unique         1.85, 2.76 A)
 &rst
  ixpk= 148, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1068,1069,
 &end
#
#   63 LEU  HB-          63 LEU  HN          4.50    (#    149:10  Unique         2.05, 3.00 A)
 &rst
  ixpk= 149, nxpk= 10, iat=  -1,1079, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1083,1084,
 &end
#
#   89 VAL  HA           89 VAL  HN          6.00    (#    151:10  Unique         2.77, 2.79 A)
 &rst
  ixpk= 151, nxpk= 10, iat=1532,1530, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:152     89 VAL  HN          4.50    (#    152:10  Single Ambig)
 &rst
  ixpk= 152, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1534,1524,1525,1526,1517,1518,
 &end
#
#    0 AMB  10-2:153     89 VAL  HN          6.00    (#    153:10  Single Ambig)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1517,1518,1040,1041,
 &end
#
#    0 AMB  10-2:154     89 VAL  HN          4.50    (#    154:10  Single Ambig)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   19 ASP  HA           19 ASP  HN          6.00    (#    155:10  Unique         2.73, 2.77 A)
 &rst
  ixpk= 155, nxpk= 10, iat= 327, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:156     19 ASP  HN          6.00    (#    156:10  Single Ambig)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 329, 330, 329, 330,
 &end
#
#    0 AMB  10-2:157    112 VAL  HN          4.50    (#    157:10  Single Ambig)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1867,1868,1867,1868,1884,
 &end
#
#    0 AMB  10-2:158    112 VAL  HN          4.50    (#    158:10  Single Ambig)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   47 LEU  HA           48 ASP  HN          4.50    (#    159:10  Unique         2.16, 2.69 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 820, 837, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 ASP  HB-          48 ASP  HN          6.00    (#    160:10  Unique         2.25, 3.24 A)
 &rst
  ixpk= 160, nxpk= 10, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 841, 842,
 &end
#
#    0 AMB  10-2:161     48 ASP  HN          6.00    (#    161:10  Single Ambig)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 822, 823, 825,
 &end
#
#    0 AMB  10-2:162     48 ASP  HN          6.00    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#   77 GLN  HA           77 GLN  HN          6.00    (#    163:10  Unique         2.78, 2.83 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1344,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 GLN  HB-          77 GLN  HN          6.00    (#    164:10  Unique         2.07, 2.61 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1346,1347,
 &end
#
#   52 PHE  HB-          53 LEU  HN          6.00    (#    165:10  Unique         2.33, 3.62 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 911, 912,
 &end
#
#   53 LEU  HB+          53 LEU  HN          6.00    (#    166:10  Unique         2.32, 3.10 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 931, 932,
 &end
#
#    0 AMB  10-2:167     53 LEU  HN          6.00    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 931, 932,2181,2182,2183,2185,2186,2187,
 &end
#
#    0 AMB  10-2:168      0 AMB  10-1:168    6.00    (#    168:10  Double Ambig)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1081,1550,1551,
 igr2=1139,1557,
 &end
#
#    0 AMB  10-2:169      0 AMB  10-1:169    6.00    (#    169:10  Double Ambig)
 &rst
  ixpk= 169, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1561,1071,1072,1040,1041,
 igr2=1557,1139,
 &end
#
#    0 AMB  10-2:170      0 AMB  10-1:170    4.50    (#    170:10  Double Ambig)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1149,1150,1563,1564,1565,1567,1568,1569,
 igr2=1139,1557,
 &end
#
#   66 ILE  QG2          66 ILE  HN          6.00    (#    171:10  Unique         1.71, 2.96 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1145,1146,1147,
 &end
#
#    0 AMB  10-2:172    109 LEU  HN          6.00    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1827,1828, 565, 566,
 &end
#
#    0 AMB  10-2:173    109 LEU  HN          6.00    (#    173:10  Single Ambig)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1827,1828,1830,
 &end
#
#    0 AMB  10-2:174    109 LEU  HN          6.00    (#    174:10  Single Ambig)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,1832,1833,1834,1836,1837,1838,
 &end
#
#   44 LEU  MDX         114 ALA  HN          6.00    (#    175:10  Unique         3.02, 5.47 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#  113 TYR  HB+         114 ALA  HN          6.00    (#    176:10  Unique         2.52, 3.85 A)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1900,1901,
 &end
#
#    0 AMB  10-2:177    114 ALA  HN          6.00    (#    177:10  Single Ambig)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1900,1901,1393,1394,
 &end
#
#    0 AMB  10-2:178    114 ALA  HN          6.00    (#    178:10  Single Ambig)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1921,1922,1923,1432,1433,1416,
 &end
#
#    0 AMB  10-2:179    111 MET  HN          6.00    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1870,1871,1870,1871,
 &end
#
#    0 AMB  10-2:180    111 MET  HN          6.00    (#    180:10  Single Ambig)
 &rst
  ixpk= 180, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1867,1868,1867,1868,
 &end
#
#   18 GLU  HA           21 ARG  HN          6.00    (#    181:10  Unique         3.33, 3.41 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 312, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 ARG  HA           21 ARG  HN          6.00    (#    182:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 182, nxpk= 10, iat= 355, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:183     21 ARG  HN          6.00    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 339, 329, 330, 329, 330, 363, 364,
 &end
#
#   18 GLU  HA           18 GLU  HN          6.00    (#    184:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 184, nxpk= 10, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:185     18 GLU  HN          6.00    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 317, 318, 317, 318,
 &end
#
#    0 AMB  10-2:186     18 GLU  HN          3.50    (#    186:10  Single Ambig)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 314, 315, 314, 315,
 &end
#
#   17 VAL  HB           18 GLU  HN          6.00    (#    187:10  Unique         2.32, 2.43 A)
 &rst
  ixpk= 187, nxpk= 10, iat= 298, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  MGX          18 GLU  HN          6.00    (#    188:10  Unique         2.49, 4.22 A)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   17 VAL  MGY          18 GLU  HN          8.00    (#    189:10  Unique         2.49, 4.22 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1, 310, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   43 GLN  HA           43 GLN  HN          6.00    (#    190:10  Unique         2.67, 2.84 A)
 &rst
  ixpk= 190, nxpk= 10, iat= 754, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:191     43 GLN  HN          6.00    (#    191:10  Single Ambig)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 759, 760, 722, 723,
 &end
#
#   43 GLN  HB-          43 GLN  HN          4.50    (#    192:10  Unique         2.29, 3.07 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 756, 757,
 &end
#
#  112 VAL  HB          113 TYR  HN          6.00    (#    193:10  Unique         2.80, 3.02 A)
 &rst
  ixpk= 193, nxpk= 10, iat=1884,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ARG  HA          113 TYR  HN          6.00    (#    194:10  Unique         1.92, 2.53 A)
 &rst
  ixpk= 194, nxpk= 10, iat= 643,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:195    113 TYR  HN          6.00    (#    195:10  Single Ambig)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#   79 PHE  HA           79 PHE  HN          6.00    (#    196:10  Unique         2.88, 2.93 A)
 &rst
  ixpk= 196, nxpk= 10, iat=1371,1369, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 ALA  HA           79 PHE  HN          3.50    (#    197:10  Unique         2.15, 2.30 A)
 &rst
  ixpk= 197, nxpk= 10, iat=1361,1369, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:198     79 PHE  HN          6.00    (#    198:10  Single Ambig)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1187,1188,1373,1374,
 &end
#
#   79 PHE  HB-          79 PHE  HN          6.00    (#    199:10  Unique         2.39, 3.19 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1373,1374,
 &end
#
#   78 ALA  MB           79 PHE  HN          6.00    (#    200:10  Unique         2.40, 3.51 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1363,1364,1365,
 &end
#
#   93 THR  HB           93 THR  HN          4.50    (#    201:10  Unique         2.25, 2.82 A)
 &rst
  ixpk= 201, nxpk= 10, iat=1588,1584, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:202     93 THR  HN          6.00    (#    202:10  Single Ambig)
 &rst
  ixpk= 202, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1040,1041,1561,
 &end
#
#   93 THR  MG2          93 THR  HN          6.00    (#    203:10  Unique         2.36, 3.81 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1590,1591,1592,
 &end
#
#    0 AMB  10-2:204     93 THR  HN          4.50    (#    204:10  Single Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#   93 THR  HA           93 THR  HN          6.00    (#    205:10  Unique         2.87, 2.94 A)
 &rst
  ixpk= 205, nxpk= 10, iat=1586,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   98 VAL  HA           99 TYR  HN          6.00    (#    206:10  Unique         3.48, 3.53 A)
 &rst
  ixpk= 206, nxpk= 10, iat=1659,1673, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 LEU  MDX          99 TYR  HN          6.00    (#    207:10  Unique         2.48, 4.81 A)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  10-2:208     99 TYR  HN          6.00    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1675,1633,1614,1713,1714,1713,1714,
 &end
#
#   99 TYR  HB+          99 TYR  HN          6.00    (#    209:10  Unique         2.07, 2.56 A)
 &rst
  ixpk= 209, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1677,1678,
 &end
#
#   99 TYR  HB-          99 TYR  HN          4.50    (#    210:10  Unique         2.07, 2.56 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1677,1678,
 &end
#
#    0 AMB  10-2:211     99 TYR  HN          6.00    (#    211:10  Single Ambig)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1661,1698,1699,
 &end
#
#   98 VAL  MGX          99 TYR  HN          6.00    (#    212:10  Unique         3.26, 4.53 A)
 &rst
  ixpk= 212, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  10-2:213     20 VAL  HN          6.00    (#    213:10  Single Ambig)
 &rst
  ixpk= 213, nxpk= 10, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 329, 330, 329, 330, 339,
 &end
#
#   20 VAL  HB           20 VAL  HN          6.00    (#    214:10  Unique         2.29, 2.39 A)
 &rst
  ixpk= 214, nxpk= 10, iat= 341, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 VAL  MGX          20 VAL  HN          6.00    (#    215:10  Unique         2.09, 3.89 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 337, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  10-2:216    106 ASP  HN          6.00    (#    216:10  Single Ambig)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1786,1771,
 &end
#
#   68 ARG  HA           68 ARG  HN          6.00    (#    217:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 217, nxpk= 10, iat=1179,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:218      0 AMB  10-1:218    6.00    (#    218:10  Double Ambig)
 &rst
  ixpk= 218, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1184,1185,1168,1169,1124,1125,
 igr2=1177,1098,
 &end
#
#   64 ILE  HA            0 AMB  10-1:219    6.00    (#    219:10  Single Ambig)
 &rst
  ixpk= 219, nxpk= 10, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1098,1177,
 &end
#
#    0 AMB  10-2:220     64 ILE  HN          3.50    (#    220:10  Single Ambig)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1108,1109,1102,1047,1048,1049,
 &end
#
#   64 ILE  QD1          64 ILE  HN          4.50    (#    221:10  Unique         2.67, 4.21 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1111,1112,1113,
 &end
#
#    0 AMB  10-2:222      0 AMB  10-1:222    6.00    (#    222:10  Double Ambig)
 &rst
  ixpk= 222, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1=1145,1146,1147,1012,1013,1014,1016,1017,1018,
 igr2=1098,1177,
 &end
#
#   63 LEU  MDY          64 ILE  HN          6.00    (#    223:10  Unique         2.07, 4.24 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1088,1089,1090,1092,1093,1094,
 &end
#
#   63 LEU  HB+          64 ILE  HN          6.00    (#    224:10  Unique         2.31, 3.58 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1083,1084,
 &end
#
#   15 GLN  HB+          15 GLN  HN          6.00    (#    225:10  Unique         2.29, 2.96 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 257, 258,
 &end
#
#    0 AMB  10-2:226      0 AMB  10-1:226    6.00    (#    226:10  Double Ambig)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1119,  22,  23,
 igr2=1117, 849,
 &end
#
#    0 AMB  10-2:227     65 LYS  HN          6.00    (#    227:10  Single Ambig)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1066,1081,
 &end
#
#   22 LEU  HA           22 LEU  HN          6.00    (#    228:10  Unique         2.78, 2.81 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 379, 377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 LEU  HB+          22 LEU  HN          3.50    (#    229:10  Unique         2.23, 3.11 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 381, 382,
 &end
#
#   22 LEU  HG           22 LEU  HN          4.50    (#    230:10  Unique         1.88, 3.02 A)
 &rst
  ixpk= 230, nxpk= 10, iat= 384, 377, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   22 LEU  HB-          22 LEU  HN          6.00    (#    231:10  Unique         2.23, 3.11 A)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 381, 382,
 &end
#
#   23 ILE  QG2          22 LEU  HN          6.00    (#    232:10  Unique         4.39, 5.60 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 402, 403, 404,
 &end
#
#  116 GLN  HA          117 GLU  HN          3.50    (#    233:10  Unique         2.18, 2.47 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1940,1955, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  117 GLU  HA          117 GLU  HN          6.00    (#    234:10  Unique         2.77, 2.91 A)
 &rst
  ixpk= 234, nxpk= 10, iat=1957,1955, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  116 GLN  HB+         117 GLU  HN          6.00    (#    235:10  Unique         2.04, 2.99 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1942,1943,
 &end
#
#  116 GLN  HB-         117 GLU  HN          6.00    (#    236:10  Unique         2.04, 2.99 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1942,1943,
 &end
#
#  117 GLU  HG-         117 GLU  HN          6.00    (#    237:10  Unique         2.25, 3.65 A)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1962,1963,
 &end
#
#  117 GLU  HB+         117 GLU  HN          6.00    (#    238:10  Unique         2.17, 2.95 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1959,1960,
 &end
#
#  117 GLU  HB-         117 GLU  HN          4.50    (#    239:10  Unique         2.17, 2.95 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1959,1960,
 &end
#
#  103 LYS  HD+         103 LYS  HN          4.50    (#    240:10  Unique         4.29, 5.08 A)
 &rst
  ixpk= 240, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1745,1746,
 &end
#
#  103 LYS  HA          103 LYS  HN          6.00    (#    241:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 241, nxpk= 10, iat=1737,1735, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 LYS  HB+         103 LYS  HN          6.00    (#    242:10  Unique         2.05, 2.56 A)
 &rst
  ixpk= 242, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1739,1740,
 &end
#
#  103 LYS  HB-         103 LYS  HN          6.00    (#    243:10  Unique         2.05, 2.56 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1739,1740,
 &end
#
#   49 LYS  HA           49 LYS  HN          6.00    (#    244:10  Unique         2.79, 2.85 A)
 &rst
  ixpk= 244, nxpk= 10, iat= 851, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ASP  HA           49 LYS  HN          6.00    (#    245:10  Unique         2.16, 2.67 A)
 &rst
  ixpk= 245, nxpk= 10, iat= 839, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:246     49 LYS  HN          4.50    (#    246:10  Single Ambig)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 6.22, r4= 6.72,
 igr1= 822, 823,2054,2055, 825,   8,   9,
 &end
#
#    0 AMB  10-2:247      0 AMB  10-1:247    6.00    (#    247:10  Double Ambig)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 856, 857, 856, 857,1083,1084,
 igr2= 849,1117,
 &end
#
#    0 AMB  10-2:248     87 SER  HN          6.00    (#    248:10  Single Ambig)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1506,1507,1506,1507,
 &end
#
#   17 VAL  MGY          17 VAL  HN          6.00    (#    249:10  Unique         2.16, 3.89 A)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   45 PRO  HB+          46 VAL  HN          6.00    (#    250:10  Unique         2.07, 3.36 A)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 796,
 &end
#
#    0 AMB  10-2:251     46 VAL  HN          4.50    (#    251:10  Single Ambig)
 &rst
  ixpk= 251, nxpk= 10, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 806, 792, 793,
 &end
#
#   46 VAL  MGX          46 VAL  HN          4.50    (#    252:10  Unique         1.70, 3.57 A)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 802, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 808, 809, 810, 812, 813, 814,
 &end
#
#   30 LYS  HB+          30 LYS  HN          6.00    (#    253:10  Unique         2.45, 3.06 A)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 521, 522,
 &end
#
#   29 THR  MG2          30 LYS  HN          6.00    (#    254:10  Unique         4.87, 5.37 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 509, 510, 511,
 &end
#
#   25 GLU  HA           25 GLU  HN          4.50    (#    255:10  Unique         2.78, 2.88 A)
 &rst
  ixpk= 255, nxpk= 10, iat= 441, 439, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:256     25 GLU  HN          6.00    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 461, 462, 446, 447,
 &end
#
#    0 AMB  10-2:257     25 GLU  HN          3.50    (#    257:10  Single Ambig)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 443, 444, 443, 444,
 &end
#
#   24 ARG  HB-          25 GLU  HN          6.00    (#    258:10  Unique         2.60, 3.31 A)
 &rst
  ixpk= 258, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 419, 420,
 &end
#
#   85 GLY  HA+          86 HIS  HN          6.00    (#    259:10  Unique         2.90, 3.22 A)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1479,1480,
 &end
#
#   86 HIS  HB+          86 HIS  HN          6.00    (#    260:10  Unique         2.64, 3.35 A)
 &rst
  ixpk= 260, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1488,1489,
 &end
#
#    0 AMB  10-2:261     86 HIS  HN          6.00    (#    261:10  Single Ambig)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1488,1489,1467,1468,
 &end
#
#    0 AMB  10-2:262     86 HIS  HN          6.00    (#    262:10  Single Ambig)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1432,1433,1886,1887,1888,1890,1891,1892,
 &end
#
#    0 AMB  10-2:263     86 HIS  HN          6.00    (#    263:10  Single Ambig)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  10-2:264     71 LEU  HN          6.00    (#    264:10  Single Ambig)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1251,1227,
 &end
#
#    0 AMB  10-2:265     71 LEU  HN          6.00    (#    265:10  Single Ambig)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1229,1230,1229,1230,
 &end
#
#   71 LEU  HB+          71 LEU  HN          4.50    (#    266:10  Unique         2.24, 3.10 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1253,1254,
 &end
#
#    0 AMB  10-2:267     71 LEU  HN          4.50    (#    267:10  Single Ambig)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1256,1253,1254,
 &end
#
#    0 AMB  10-2:268     71 LEU  HN          6.00    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
      1299,1300,
 &end
#
#    0 AMB  10-2:269     71 LEU  HN          8.00    (#    269:10  Single Ambig)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1=1164,1165,1166,1294,1295,1296,1298,1299,1300,
 &end
#
#   71 LEU  MDX          71 LEU  HN          6.00    (#    270:10  Unique         2.46, 4.26 A)
 &rst
  ixpk= 270, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1258,1259,1260,1262,1263,1264,
 &end
#
#   94 PRO  HB+          96 SER  HN          6.00    (#    271:10  Unique         2.09, 3.10 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1605,1606,
 &end
#
#    0 AMB  10-2:272     96 SER  HN          3.50    (#    272:10  Single Ambig)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 4.58, r4= 5.08,
 igr1=1635,1636,1635,1636,1633,
 &end
#
#    0 AMB  10-2:273     96 SER  HN          6.00    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1605,1606,1602,1603,
 &end
#
#   95 ILE  QG2          96 SER  HN          6.00    (#    274:10  Unique         2.45, 3.34 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1618,1619,1620,
 &end
#
#    0 AMB  10-2:275     60 MET  HN          6.00    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1038,1608,
 &end
#
#   60 MET  HG+          60 MET  HN          4.50    (#    276:10  Unique         1.92, 3.05 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1043,1044,
 &end
#
#   60 MET  HB+          60 MET  HN          6.00    (#    278:10  Unique         2.07, 2.98 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#   60 MET  HB-          60 MET  HN          6.00    (#    279:10  Unique         2.07, 2.98 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#   69 ARG  HB+          69 ARG  HN          4.50    (#    280:10  Unique         2.10, 2.67 A)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1205,1206,
 &end
#
#   69 ARG  HG+          69 ARG  HN          6.00    (#    281:10  Unique         2.59, 4.18 A)
 &rst
  ixpk= 281, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1208,1209,
 &end
#
#    0 AMB  10-2:282     69 ARG  HN          6.00    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1181,1182,1181,1182,1208,1209,
 &end
#
#    0 AMB  10-2:283    102 GLU  HN          6.00    (#    283:10  Single Ambig)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1713,1714,1713,1714,1675,
 &end
#
#  102 GLU  HG+         102 GLU  HN          6.00    (#    284:10  Unique         2.39, 3.57 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1727,1728,
 &end
#
#    0 AMB  10-2:285    102 GLU  HN          6.00    (#    285:10  Single Ambig)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1724,1725,1727,1728,
 &end
#
#  102 GLU  HB-         102 GLU  HN          6.00    (#    286:10  Unique         2.36, 3.15 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1724,1725,
 &end
#
#    0 AMB  10-2:287    102 GLU  HN          6.00    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1663,1664,1665,1667,1668,1669,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   26 GLN  HA           26 GLN  HN          6.00    (#    288:10  Unique         2.81, 2.91 A)
 &rst
  ixpk= 288, nxpk= 10, iat= 456, 454, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HG+          26 GLN  HN          6.00    (#    289:10  Unique         1.86, 2.73 A)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 461, 462,
 &end
#
#    0 AMB  10-2:290     26 GLN  HN          4.50    (#    290:10  Single Ambig)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 461, 462, 443, 444, 443, 444,
 &end
#
#   26 GLN  HB-          26 GLN  HN          6.00    (#    291:10  Unique         2.40, 3.13 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 458, 459,
 &end
#
#  116 GLN  HG+         116 GLN  HN          6.00    (#    292:10  Unique         2.63, 3.70 A)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1945,1946,
 &end
#
#  116 GLN  HB-         116 GLN  HN          6.00    (#    293:10  Unique         2.77, 3.66 A)
 &rst
  ixpk= 293, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1942,1943,
 &end
#
#    0 AMB  10-2:295     27 HIS  HN          6.00    (#    295:10  Single Ambig)
 &rst
  ixpk= 295, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 458, 459, 419, 420,
 &end
#
#    0 AMB  10-2:296     90 SER  HN          6.00    (#    296:10  Single Ambig)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1550,1551,1532,
 &end
#
#   90 SER  HB-          90 SER  HN          6.00    (#    297:10  Unique         2.54, 3.04 A)
 &rst
  ixpk= 297, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1550,1551,
 &end
#
#   14 GLU  HA           14 GLU  HN          6.00    (#    298:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 298, nxpk= 10, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HB+          14 GLU  HN          6.00    (#    299:10  Unique         1.99, 3.04 A)
 &rst
  ixpk= 299, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#   13 PHE  HB-          14 GLU  HN          6.00    (#    300:10  Unique         1.99, 3.04 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#   14 GLU  HG-          14 GLU  HN          6.00    (#    301:10  Unique         2.32, 2.97 A)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 245, 246,
 &end
#
#   14 GLU  HB+          14 GLU  HN          6.00    (#    302:10  Unique         2.27, 2.99 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 242, 243,
 &end
#
#   14 GLU  HB-          14 GLU  HN          6.00    (#    303:10  Unique         2.27, 2.99 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 242, 243,
 &end
#
#   84 ASN  HB+          84 ASN  HD2+        6.00    (#    304:10  Unique         2.15, 3.28 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1467,1468,
 igr2=1472,1473,
 &end
#
#    2 PRO  HA            3 SER  HN          6.00    (#    305:10  Unique         2.27, 2.67 A)
 &rst
  ixpk= 305, nxpk= 10, iat=  31,  35, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 SER  HB-           3 SER  HN          6.00    (#    306:10  Unique         2.45, 3.34 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,  35, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  39,  40,
 &end
#
#  119 PHE  HA          120 GLY  HN          6.00    (#    307:10  Unique         2.15, 2.48 A)
 &rst
  ixpk= 307, nxpk= 10, iat=1986,2004, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  120 GLY  HA+         120 GLY  HN          4.50    (#    308:10  Unique         2.30, 2.73 A)
 &rst
  ixpk= 308, nxpk= 10, iat=  -1,2004, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=2006,2007,
 &end
#
#  119 PHE  HB+         120 GLY  HN          6.00    (#    309:10  Unique         2.16, 3.66 A)
 &rst
  ixpk= 309, nxpk= 10, iat=  -1,2004, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1988,1989,
 &end
#
#  119 PHE  HB-         120 GLY  HN          6.00    (#    310:10  Unique         2.16, 3.66 A)
 &rst
  ixpk= 310, nxpk= 10, iat=  -1,2004, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1988,1989,
 &end
#
#   21 ARG  HD+          21 ARG  HE          8.00    (#    312:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 363, 364,
 &end
#
#   21 ARG  HD-          21 ARG  HE          6.00    (#    313:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 366, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 363, 364,
 &end
#
#    5 LYS  HA            6 THR  HN          4.50    (#    314:10  Unique         2.21, 2.56 A)
 &rst
  ixpk= 314, nxpk= 10, iat=  63,  83, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 GLN  HB+           6 THR  HN          6.00    (#    315:10  Unique         2.55, 4.03 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 143, 144,
 &end
#
#    6 THR  MG2           6 THR  HN          4.50    (#    316:10  Unique         3.44, 4.33 A)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=  89,  90,  91,
 &end
#
#   71 LEU  HA           72 GLN  HN          6.00    (#    317:10  Unique         2.84, 3.15 A)
 &rst
  ixpk= 317, nxpk= 10, iat=1251,1268, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   72 GLN  HA           72 GLN  HN          3.50    (#    318:10  Unique         2.44, 2.67 A)
 &rst
  ixpk= 318, nxpk= 10, iat=1270,1268, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:319     72 GLN  HN          4.50    (#    319:10  Single Ambig)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1275,1276,1275,1276,1272,1273,
 &end
#
#   71 LEU  HB+          72 GLN  HN          6.00    (#    320:10  Unique         2.38, 3.89 A)
 &rst
  ixpk= 320, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1253,1254,
 &end
#
#    0 AMB  10-2:321     72 GLN  HN          6.00    (#    321:10  Single Ambig)
 &rst
  ixpk= 321, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1253,1254,1289,1290,
 &end
#
#   77 GLN  HG+          77 GLN  HE2-        6.00    (#    322:10  Unique         2.15, 3.36 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1349,1350,
 igr2=1354,1355,
 &end
#
#  115 SER  HA          115 SER  HN          6.00    (#    323:10  Unique         2.91, 2.97 A)
 &rst
  ixpk= 323, nxpk= 10, iat=1929,1927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 SER  HB+         115 SER  HN          6.00    (#    324:10  Unique         2.17, 3.11 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1931,1932,
 &end
#
#  114 ALA  MB          115 SER  HN          4.50    (#    325:10  Unique         1.86, 2.87 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1921,1922,1923,
 &end
#
#   44 LEU  MDX         115 SER  HN          6.00    (#    326:10  Unique         2.20, 4.58 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   44 LEU  MDY          77 GLN  HE2+        6.00    (#    327:10  Unique         1.88, 5.64 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1354,1355,
 &end
#
#    0 AMB  10-2:329      8 LYS  HN          6.00    (#    329:10  Single Ambig)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 121, 122, 121, 122, 124, 125,
 &end
#
#    0 AMB  10-2:330     61 SER  HN          6.00    (#    330:10  Single Ambig)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1038,1608,
 &end
#
#   61 SER  HA           61 SER  HN          6.00    (#    331:10  Unique         2.75, 2.78 A)
 &rst
  ixpk= 331, nxpk= 10, iat=1055,1053, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:332     61 SER  HN          4.50    (#    332:10  Single Ambig)
 &rst
  ixpk= 332, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1057,1058,1057,1058,
 &end
#
#   60 MET  HB+          61 SER  HN          6.00    (#    333:10  Unique         1.96, 2.87 A)
 &rst
  ixpk= 333, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#   60 MET  HB-          61 SER  HN          6.00    (#    334:10  Unique         1.96, 2.87 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1040,1041,
 &end
#
#    0 AMB  10-2:335     61 SER  HN          6.00    (#    335:10  Single Ambig)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#   74 ASN  HB+          74 ASN  HD2+        6.00    (#    336:10  Unique         2.15, 3.29 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1308,1309,
 igr2=1313,1314,
 &end
#
#    0 AMB  10-2:337      0 AMB  10-1:337    6.00    (#    337:10  Double Ambig)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1308,1309,1332,1333,
 igr2=1313,1314,1313,1314,
 &end
#
#   74 ASN  HB+          74 ASN  HD2-        6.00    (#    338:10  Unique         2.15, 3.29 A)
 &rst
  ixpk= 338, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1308,1309,
 igr2=1313,1314,
 &end
#
#   49 LYS  HA           50 THR  HN          6.00    (#    339:10  Unique         2.14, 2.72 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 851, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LYS  HB+          50 THR  HN          6.00    (#    340:10  Unique         1.66, 4.00 A)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 853, 854,
 &end
#
#   97 GLU  HA          100 GLU  HN          6.00    (#    341:10  Unique         3.18, 3.33 A)
 &rst
  ixpk= 341, nxpk= 10, iat=1644,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:342    100 GLU  HN          6.00    (#    342:10  Single Ambig)
 &rst
  ixpk= 342, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1675,1713,1714,1713,1714,1633,1635,1636,
 &end
#
#  100 GLU  HA          100 GLU  HN          6.00    (#    343:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 343, nxpk= 10, iat=1696,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HB+         100 GLU  HN          6.00    (#    344:10  Unique         2.63, 3.51 A)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1677,1678,
 &end
#
#    0 AMB  10-2:345    100 GLU  HN          6.00    (#    345:10  Single Ambig)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1701,1702,1701,1702,
 &end
#
#    0 AMB  10-2:346    100 GLU  HN          3.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1698,1699,1698,1699,
 &end
#
#   57 HIS  HB+          57 HIS  HN          6.00    (#    347:10  Unique         2.83, 3.27 A)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 992, 993,
 &end
#
#    0 AMB  10-2:348      9 GLN  HN          6.00    (#    348:10  Single Ambig)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 146, 147, 146, 147,
 &end
#
#  119 PHE  HA          116 GLN  HE2+        6.00    (#    349:10  Unique         3.33, 5.86 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1986,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1950,1951,
 &end
#
#  116 GLN  HG-         116 GLN  HE2+        6.00    (#    350:10  Unique         2.15, 3.27 A)
 &rst
  ixpk= 350, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1945,1946,
 igr2=1950,1951,
 &end
#
#    0 AMB  10-2:351     76 ASN  HN          6.00    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1332,1333,1332,1333,
 &end
#
#   75 ALA  MB           76 ASN  HN          6.00    (#    352:10  Unique         2.24, 3.72 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1322,1323,1324,
 &end
#
#    0 AMB  10-2:353      0 AMB  10-1:353    6.00    (#    353:10  Double Ambig)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1275,1276,1275,1276,1272,1273,
 igr2=1280,1281,1280,1281,1280,1281,
 &end
#
#    0 AMB  10-2:354      0 AMB  10-1:354    6.00    (#    354:10  Double Ambig)
 &rst
  ixpk= 354, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1308,1309,1332,1333,1332,1333,
 igr2=1337,1338,1337,1338,1337,1338,
 &end
#
#   43 GLN  HG-          43 GLN  HE2+        6.00    (#    355:10  Unique         2.15, 3.29 A)
 &rst
  ixpk= 355, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 759, 760,
 igr2= 764, 765,
 &end
#
#    0 AMB  10-2:356      0 AMB  10-1:356    6.00    (#    356:10  Double Ambig)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 146, 147, 146, 147, 260, 261,
 igr2= 151, 152, 151, 152, 265, 266,
 &end
#
#   59 ASN  HB+          59 ASN  HD2+        6.00    (#    357:10  Unique         2.15, 3.30 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#   59 ASN  HB-          59 ASN  HD2+        6.00    (#    358:10  Unique         2.15, 3.30 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#   26 GLN  HG+          26 GLN  HE2+        6.00    (#    359:10  Unique         2.16, 3.22 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 461, 462,
 igr2= 466, 467,
 &end
#
#   26 GLN  HG-          26 GLN  HE2+        6.00    (#    360:10  Unique         2.16, 3.22 A)
 &rst
  ixpk= 360, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 461, 462,
 igr2= 466, 467,
 &end
#
#  116 GLN  HA          118 THR  HN          6.00    (#    361:10  Unique         3.95, 4.38 A)
 &rst
  ixpk= 361, nxpk= 10, iat=1940,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  118 THR  HA          118 THR  HN          6.00    (#    362:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 362, nxpk= 10, iat=1972,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:363    118 THR  HN          6.00    (#    363:10  Single Ambig)
 &rst
  ixpk= 363, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1974,1506,1507,1506,1507,
 &end
#
#  117 GLU  HA          118 THR  HN          6.00    (#    364:10  Unique         3.42, 3.50 A)
 &rst
  ixpk= 364, nxpk= 10, iat=1957,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:365    118 THR  HN          6.00    (#    365:10  Single Ambig)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1945,1946,1942,1943,
 &end
#
#  116 GLN  HB-         118 THR  HN          6.00    (#    366:10  Unique         2.32, 3.73 A)
 &rst
  ixpk= 366, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1942,1943,
 &end
#
#  117 GLU  HB+         118 THR  HN          6.00    (#    367:10  Unique         1.93, 3.59 A)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1959,1960,
 &end
#
#  117 GLU  HB-         118 THR  HN          8.00    (#    368:10  Unique         1.93, 3.59 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1959,1960,
 &end
#
#  118 THR  MG2         118 THR  HN          6.00    (#    369:10  Unique         2.44, 4.06 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1976,1977,1978,
 &end
#
#    0 AMB  10-2:370    101 SER  HN          4.50    (#    370:10  Single Ambig)
 &rst
  ixpk= 370, nxpk= 10, iat=  -1,1709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1713,1714,1713,1714,
 &end
#
#    0 AMB  10-2:371    101 SER  HN          6.00    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,1709, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1659,1696,
 &end
#
#    0 AMB  10-2:372    101 SER  HN          4.50    (#    372:10  Single Ambig)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,1709, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1698,1699,1698,1699,
 &end
#
#   29 THR  MG2          29 THR  HN          6.00    (#    373:10  Unique         2.31, 3.56 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 509, 510, 511,
 &end
#
#  107 GLY  HA+         107 GLY  HN          6.00    (#    374:10  Unique         2.30, 2.65 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1798,1799,
 &end
#
#    0 AMB  10-2:375    107 GLY  HN          6.00    (#    375:10  Single Ambig)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1786,1771,
 &end
#
#  104 ASP  HB+         107 GLY  HN          6.00    (#    376:10  Unique         2.34, 3.63 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1761,1762,
 &end
#
#  107 GLY  HA-         107 GLY  HN          4.50    (#    377:10  Unique         2.30, 2.65 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1798,1799,
 &end
#
#   84 ASN  HA           85 GLY  HN          6.00    (#    378:10  Unique         3.05, 3.09 A)
 &rst
  ixpk= 378, nxpk= 10, iat=1465,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 GLY  HA-          85 GLY  HN          4.50    (#    379:10  Unique         2.43, 2.70 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1479,1480,
 &end
#
#   33 VAL  HA           34 ILE  HN          4.50    (#    380:10  Unique         2.13, 2.21 A)
 &rst
  ixpk= 380, nxpk= 10, iat= 574, 588, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  110 TYR  HA           34 ILE  HN          6.00    (#    381:10  Unique         2.40, 3.12 A)
 &rst
  ixpk= 381, nxpk= 10, iat=1844, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 LEU  HA          110 TYR  HN          6.00    (#    382:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 382, nxpk= 10, iat=1825,1842, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 LEU  HA           82 LEU  HN          4.50    (#    383:10  Unique         2.13, 2.17 A)
 &rst
  ixpk= 383, nxpk= 10, iat=1411,1428, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 THR  HB            7 PHE  HN          6.00    (#    384:10  Unique         2.19, 2.51 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  87,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:385     33 VAL  HN          3.50    (#    385:10  Single Ambig)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 568, 574,
 &end
#
#   59 ASN  HA           95 ILE  HN          6.00    (#    386:10  Unique         2.25, 2.67 A)
 &rst
  ixpk= 386, nxpk= 10, iat=1024,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 LEU  HA           54 VAL  HN          4.50    (#    387:10  Unique         2.13, 2.28 A)
 &rst
  ixpk= 387, nxpk= 10, iat= 929, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LYS  HA           31 ILE  HN          6.00    (#    388:10  Unique         2.14, 2.43 A)
 &rst
  ixpk= 388, nxpk= 10, iat= 519, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   40 GLY  HN           41 GLU  HN          6.00    (#    389:10  Unique         2.61, 3.21 A)
 &rst
  ixpk= 389, nxpk= 10, iat= 708, 715, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HA           56 ASP  HN          6.00    (#    390:10  Unique         1.97, 2.35 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 519, 976, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  111 MET  HA          112 VAL  HN          4.50    (#    391:10  Unique         2.13, 2.16 A)
 &rst
  ixpk= 391, nxpk= 10, iat=1865,1880, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  112 VAL  HA          112 VAL  HN          6.00    (#    392:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 392, nxpk= 10, iat=1882,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   52 PHE  HA           53 LEU  HN          4.50    (#    393:10  Unique         2.15, 2.24 A)
 &rst
  ixpk= 393, nxpk= 10, iat= 909, 927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 LEU  HA           53 LEU  HN          8.00    (#    394:10  Unique         2.90, 2.96 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 929, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  113 TYR  HA          114 ALA  HN          3.50    (#    395:10  Unique         2.13, 2.23 A)
 &rst
  ixpk= 395, nxpk= 10, iat=1898,1917, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  111 MET  HA          111 MET  HN          6.00    (#    396:10  Unique         2.96, 2.97 A)
 &rst
  ixpk= 396, nxpk= 10, iat=1865,1863, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:397    111 MET  HN          4.50    (#    397:10  Single Ambig)
 &rst
  ixpk= 397, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1844, 609,
 &end
#
#  112 VAL  HA          113 TYR  HN          4.50    (#    398:10  Unique         2.13, 2.20 A)
 &rst
  ixpk= 398, nxpk= 10, iat=1882,1896, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 HIS  HA           87 SER  HN          6.00    (#    399:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 399, nxpk= 10, iat=1486,1502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HA           30 LYS  HN          6.00    (#    400:10  Unique         2.86, 2.94 A)
 &rst
  ixpk= 400, nxpk= 10, iat= 519, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 HIS  HA           86 HIS  HN          6.00    (#    401:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 401, nxpk= 10, iat=1486,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASN  HA           60 MET  HN          6.00    (#    402:10  Unique         2.40, 2.55 A)
 &rst
  ixpk= 402, nxpk= 10, iat=1024,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:403     80 PHE  HN          6.00    (#    403:10  Single Ambig)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1377,1385,1397,1405,
 &end
#
#  119 PHE  HD          119 PHE  HN          6.00    (#    404:10  Unique         1.97, 3.90 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,1984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1992,2000,
 &end
#
#  113 TYR  HD          114 ALA  HN          6.00    (#    405:10  Unique         1.82, 3.85 A)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1904,1913,
 &end
#
#  113 TYR  HD          113 TYR  HN          6.00    (#    406:10  Unique         2.59, 4.47 A)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1904,1913,
 &end
#
#   38 TYR  HD           39 LYS  HN          6.00    (#    410:10  Unique         3.58, 5.07 A)
 &rst
  ixpk= 410, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 682,
 &end
#
#  110 TYR  HD          110 TYR  HN          6.00    (#    411:10  Unique         1.92, 4.12 A)
 &rst
  ixpk= 411, nxpk= 10, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1850,1859,
 &end
#
#  110 TYR  HD          104 ASP  HN          6.00    (#    412:10  Unique         4.72, 7.67 A)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1850,1859,
 &end
#
#   69 ARG  HN           70 ARG  HN          6.00    (#    413:10  Unique         2.19, 2.44 A)
 &rst
  ixpk= 413, nxpk= 10, iat=1201,1225, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  118 THR  HN          119 PHE  HN          8.00    (#    414:10  Unique         4.22, 4.39 A)
 &rst
  ixpk= 414, nxpk= 10, iat=1970,1984, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 PHE  HD           52 PHE  HN          6.00    (#    415:10  Unique         2.17, 4.03 A)
 &rst
  ixpk= 415, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 915, 923,
 &end
#
#    0 AMB  10-2:416     56 ASP  HN          6.00    (#    416:10  Single Ambig)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1, 976, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 988, 517,
 &end
#
#   18 GLU  HN           19 ASP  HN          6.00    (#    417:10  Unique         2.77, 2.97 A)
 &rst
  ixpk= 417, nxpk= 10, iat= 310, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:418     99 TYR  HN          4.50    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1657,1709,
 &end
#
#   99 TYR  HD           99 TYR  HN          6.00    (#    419:10  Unique         3.69, 4.67 A)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1681,1690,
 &end
#
#   69 ARG  HN           68 ARG  HN          6.00    (#    420:10  Unique         2.39, 2.71 A)
 &rst
  ixpk= 420, nxpk= 10, iat=1201,1177, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 LYS  HN           64 ILE  HN          6.00    (#    421:10  Unique         2.43, 2.79 A)
 &rst
  ixpk= 421, nxpk= 10, iat=1117,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:422    117 GLU  HN          6.00    (#    422:10  Single Ambig)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1399,1403,1938,
 &end
#
#  118 THR  HN          117 GLU  HN          4.50    (#    423:10  Unique         1.87, 2.35 A)
 &rst
  ixpk= 423, nxpk= 10, iat=1970,1955, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   97 GLU  HN           96 SER  HN          6.00    (#    424:10  Unique         2.84, 2.97 A)
 &rst
  ixpk= 424, nxpk= 10, iat=1642,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  101 SER  HN          102 GLU  HN          4.50    (#    425:10  Unique         1.93, 2.07 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1709,1720, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  116 GLN  HN          115 SER  HN          6.00    (#    426:10  Unique         2.05, 2.37 A)
 &rst
  ixpk= 426, nxpk= 10, iat=1938,1927, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 LYS  HN           50 THR  HN          6.00    (#    427:10  Unique         2.08, 2.79 A)
 &rst
  ixpk= 427, nxpk= 10, iat= 885, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:428     70 ARG  HN          6.00    (#    428:10  Single Ambig)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1249,1268,
 &end
#
#  120 GLY  HN          119 PHE  HN          8.00    (#    429:10  Unique         2.62, 4.05 A)
 &rst
  ixpk= 429, nxpk= 10, iat=2004,1984, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   15 GLN  HN           16 ARG  HN          6.00    (#    430:10  Unique         2.71, 2.88 A)
 &rst
  ixpk= 430, nxpk= 10, iat= 253, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  107 GLY  HN          106 ASP  HN          6.00    (#    431:10  Unique         2.05, 2.53 A)
 &rst
  ixpk= 431, nxpk= 10, iat=1796,1784, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  103 LYS  HN          102 GLU  HN          6.00    (#    432:10  Unique         2.25, 2.36 A)
 &rst
  ixpk= 432, nxpk= 10, iat=1735,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 GLN  HN           14 GLU  HN          6.00    (#    433:10  Unique         2.97, 3.13 A)
 &rst
  ixpk= 433, nxpk= 10, iat= 253, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   96 SER  HN           95 ILE  HN          6.00    (#    434:10  Unique         2.24, 2.58 A)
 &rst
  ixpk= 434, nxpk= 10, iat=1631,1612, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 GLN  HN           44 LEU  HN          6.00    (#    435:10  Unique         2.45, 2.96 A)
 &rst
  ixpk= 435, nxpk= 10, iat= 752, 769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  112 VAL  HN           82 LEU  HN          6.00    (#    436:10  Unique         3.93, 4.40 A)
 &rst
  ixpk= 436, nxpk= 10, iat=1880,1428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 VAL  HN           31 ILE  HN          6.00    (#    437:10  Unique         2.26, 2.75 A)
 &rst
  ixpk= 437, nxpk= 10, iat= 946, 539, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  117 GLU  HN          118 THR  HN          6.00    (#    439:10  Unique         1.87, 2.35 A)
 &rst
  ixpk= 439, nxpk= 10, iat=1955,1970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HN           98 VAL  HN          6.00    (#    440:10  Unique         2.57, 2.77 A)
 &rst
  ixpk= 440, nxpk= 10, iat=1673,1657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HN           11 ARG  HN          6.00    (#    441:10  Unique         1.81, 2.90 A)
 &rst
  ixpk= 441, nxpk= 10, iat= 156, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  HN           18 GLU  HN          6.00    (#    442:10  Unique         2.70, 2.87 A)
 &rst
  ixpk= 442, nxpk= 10, iat= 294, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 ASP  HN           18 GLU  HN          6.00    (#    443:10  Unique         2.77, 2.97 A)
 &rst
  ixpk= 443, nxpk= 10, iat= 325, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 THR  HN           51 LYS  HN          6.00    (#    444:10  Unique         2.08, 2.79 A)
 &rst
  ixpk= 444, nxpk= 10, iat= 871, 885, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 SER  HN           93 THR  HN          6.00    (#    445:10  Unique         2.07, 2.83 A)
 &rst
  ixpk= 445, nxpk= 10, iat=1573,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:446      0 AMB  10-1:446    6.00    (#    446:10  Double Ambig)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 871,1139,
 igr2= 849,1117,
 &end
#
#   48 ASP  HN           49 LYS  HN          6.00    (#    447:10  Unique         1.66, 3.41 A)
 &rst
  ixpk= 447, nxpk= 10, iat= 837, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ARG  HN           25 GLU  HN          6.00    (#    448:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 448, nxpk= 10, iat= 415, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 SER  HN          116 GLN  HN          6.00    (#    449:10  Unique         2.05, 2.37 A)
 &rst
  ixpk= 449, nxpk= 10, iat=1927,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HN          100 GLU  HN          6.00    (#    450:10  Unique         2.42, 2.52 A)
 &rst
  ixpk= 450, nxpk= 10, iat=1673,1694, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLU  HN          101 SER  HN          4.50    (#    451:10  Unique         1.93, 2.07 A)
 &rst
  ixpk= 451, nxpk= 10, iat=1720,1709, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ILE  HN           54 VAL  HN          6.00    (#    452:10  Unique         2.26, 2.75 A)
 &rst
  ixpk= 452, nxpk= 10, iat= 539, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 LEU  HN          112 VAL  HN          6.00    (#    453:10  Unique         3.93, 4.40 A)
 &rst
  ixpk= 453, nxpk= 10, iat=1428,1880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   95 ILE  HN           96 SER  HN          6.00    (#    454:10  Unique         2.24, 2.58 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1612,1631, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLU  HN          103 LYS  HN          6.00    (#    455:10  Unique         2.25, 2.36 A)
 &rst
  ixpk= 455, nxpk= 10, iat=1720,1735, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ARG  HN           71 LEU  HN          6.00    (#    456:10  Unique         2.39, 2.55 A)
 &rst
  ixpk= 456, nxpk= 10, iat=1225,1249, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  119 PHE  HN          120 GLY  HN          8.00    (#    457:10  Unique         2.62, 4.05 A)
 &rst
  ixpk= 457, nxpk= 10, iat=1984,2004, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   38 TYR  HN          113 TYR  HN          6.00    (#    458:10  Unique         2.49, 3.01 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 665,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:459     86 HIS  HN          6.00    (#    459:10  Single Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1477,1447,
 &end
#
#   44 LEU  HN           43 GLN  HN          6.00    (#    460:10  Unique         2.45, 2.96 A)
 &rst
  ixpk= 460, nxpk= 10, iat= 769, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  106 ASP  HN          105 GLU  HN          6.00    (#    461:10  Unique         2.65, 2.93 A)
 &rst
  ixpk= 461, nxpk= 10, iat=1784,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    1 MET  HA            3 SER  HN          6.00    (#    462:10  Unique         3.61, 4.38 A)
 &rst
  ixpk= 462, nxpk= 10, iat=   6,  35, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 LEU  HA           86 HIS  HN          6.00    (#    464:10  Unique         3.03, 3.37 A)
 &rst
  ixpk= 464, nxpk= 10, iat=1430,1484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HD           41 GLU  HN          6.00    (#    465:10  Unique         2.30, 4.18 A)
 &rst
  ixpk= 465, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 682,
 &end
#
#   12 THR  HB           13 PHE  HN          6.00    (#    466:10  Unique         1.89, 2.06 A)
 &rst
  ixpk= 466, nxpk= 10, iat= 208, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HN           14 GLU  HN          6.00    (#    467:10  Unique         2.82, 2.97 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 218, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 THR  HB           14 GLU  HN          6.00    (#    468:10  Unique         2.65, 2.97 A)
 &rst
  ixpk= 468, nxpk= 10, iat= 208, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  HA           18 GLU  HN          6.00    (#    469:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 469, nxpk= 10, iat= 296, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 ILE  HN           22 LEU  HN          6.00    (#    470:10  Unique         2.63, 2.75 A)
 &rst
  ixpk= 470, nxpk= 10, iat= 396, 377, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 ILE  HN           24 ARG  HN          6.00    (#    472:10  Unique         2.33, 2.56 A)
 &rst
  ixpk= 472, nxpk= 10, iat= 396, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HN           25 GLU  HN          6.00    (#    473:10  Unique         2.33, 2.53 A)
 &rst
  ixpk= 473, nxpk= 10, iat= 454, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ARG  HB+          25 GLU  HN          6.00    (#    474:10  Unique         2.60, 3.31 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 419, 420,
 &end
#
#   24 ARG  HA           27 HIS  HN          6.00    (#    475:10  Unique         2.91, 3.49 A)
 &rst
  ixpk= 475, nxpk= 10, iat= 417, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LYS  HN           29 THR  HN          6.00    (#    476:10  Unique         2.62, 3.05 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 517, 503, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 THR  HN           30 LYS  HN          6.00    (#    477:10  Unique         2.62, 3.05 A)
 &rst
  ixpk= 477, nxpk= 10, iat= 503, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 THR  HA           30 LYS  HN          6.00    (#    478:10  Unique         2.53, 2.85 A)
 &rst
  ixpk= 478, nxpk= 10, iat= 505, 517, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 ILE  HA           35 ILE  HN          8.00    (#    479:10  Unique         2.93, 2.96 A)
 &rst
  ixpk= 479, nxpk= 10, iat= 609, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   35 ILE  HA           36 GLU  HN          3.50    (#    480:10  Unique         2.13, 2.17 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 609, 626, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   36 GLU  HB+          36 GLU  HN          6.00    (#    481:10  Unique         2.78, 3.26 A)
 &rst
  ixpk= 481, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 630, 631,
 &end
#
#   43 GLN  HN           42 LYS  HN          6.00    (#    482:10  Unique         2.43, 3.16 A)
 &rst
  ixpk= 482, nxpk= 10, iat= 752, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:483     43 GLN  HN          6.00    (#    483:10  Single Ambig)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 771, 798,
 &end
#
#    0 AMB  10-2:484     44 LEU  HN          6.00    (#    484:10  Single Ambig)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 771,1919,
 &end
#
#   65 LYS  HG+          65 LYS  HN          6.00    (#    486:10  Unique         2.42, 3.43 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1124,1125,
 &end
#
#    0 AMB  10-2:487     49 LYS  HN          6.00    (#    487:10  Single Ambig)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833, 808, 809, 810, 812, 813, 814,
 &end
#
#   51 LYS  HA           52 PHE  HN          6.00    (#    488:10  Unique         2.13, 2.31 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 887, 907, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:489      0 AMB  10-1:489    6.00    (#    489:10  Double Ambig)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=2158,  48,2174,
 igr2= 927, 837,
 &end
#
#   54 VAL  HA           54 VAL  HN          6.00    (#    490:10  Unique         2.94, 2.96 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 948, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 HIS  HA           57 HIS  HN          6.00    (#    491:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 990, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 SER  HN           62 GLU  HN          6.00    (#    493:10  Unique         2.72, 2.86 A)
 &rst
  ixpk= 493, nxpk= 10, iat=1053,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 LEU  HN           62 GLU  HN          4.50    (#    494:10  Unique         2.59, 2.99 A)
 &rst
  ixpk= 494, nxpk= 10, iat=1079,1064, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 ARG  HN           69 ARG  HN          6.00    (#    495:10  Unique         2.39, 2.71 A)
 &rst
  ixpk= 495, nxpk= 10, iat=1177,1201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:496     70 ARG  HN          6.00    (#    496:10  Single Ambig)
 &rst
  ixpk= 496, nxpk= 10, iat=  -1,1225, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1177,1158,
 &end
#
#   74 ASN  HA           74 ASN  HN          6.00    (#    497:10  Unique         2.73, 2.83 A)
 &rst
  ixpk= 497, nxpk= 10, iat=1306,1304, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 ASN  HA           75 ALA  HN          6.00    (#    498:10  Unique         2.20, 2.48 A)
 &rst
  ixpk= 498, nxpk= 10, iat=1306,1318, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 ASN  HA           76 ASN  HN          6.00    (#    500:10  Unique         2.76, 2.89 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1330,1328, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 ASN  HA           77 GLN  HN          6.00    (#    501:10  Unique         3.45, 3.53 A)
 &rst
  ixpk= 501, nxpk= 10, iat=1330,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 LEU  HB+          81 LEU  HN          6.00    (#    502:10  Unique         2.17, 2.87 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1413,1414,
 &end
#
#   81 LEU  HB-          81 LEU  HN          6.00    (#    503:10  Unique         2.17, 2.87 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1413,1414,
 &end
#
#   82 LEU  HA           82 LEU  HN          6.00    (#    504:10  Unique         2.90, 2.95 A)
 &rst
  ixpk= 504, nxpk= 10, iat=1430,1428, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 LEU  HA           83 VAL  HN          3.50    (#    505:10  Unique         2.13, 2.15 A)
 &rst
  ixpk= 505, nxpk= 10, iat=1430,1447, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:506     88 MET  HN          6.00    (#    506:10  Single Ambig)
 &rst
  ixpk= 506, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1430,1515,
 &end
#
#   88 MET  HA           89 VAL  HN          4.50    (#    508:10  Unique         2.24, 2.74 A)
 &rst
  ixpk= 508, nxpk= 10, iat=1515,1530, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   90 SER  HA           91 VAL  HN          6.00    (#    510:10  Unique         2.13, 2.28 A)
 &rst
  ixpk= 510, nxpk= 10, iat=1548,1557, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HD          100 GLU  HN          6.00    (#    513:10  Unique         2.83, 4.54 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1681,1690,
 &end
#
#  102 GLU  HA          102 GLU  HN          6.00    (#    514:10  Unique         2.95, 2.97 A)
 &rst
  ixpk= 514, nxpk= 10, iat=1722,1720, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  102 GLU  HA          104 ASP  HN          6.00    (#    515:10  Unique         5.88, 6.11 A)
 &rst
  ixpk= 515, nxpk= 10, iat=1722,1757, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 PHE  HN          107 GLY  HN          6.00    (#    517:10  Unique         2.21, 2.87 A)
 &rst
  ixpk= 517, nxpk= 10, iat=1803,1796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  108 PHE  HA          109 LEU  HN          6.00    (#    518:10  Unique         2.19, 2.76 A)
 &rst
  ixpk= 518, nxpk= 10, iat=1805,1823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  114 ALA  HA          114 ALA  HN          6.00    (#    519:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 519, nxpk= 10, iat=1919,1917, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  114 ALA  HA          115 SER  HN          4.50    (#    520:10  Unique         2.42, 2.65 A)
 &rst
  ixpk= 520, nxpk= 10, iat=1919,1927, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:521    116 GLN  HN          6.00    (#    521:10  Single Ambig)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1945,1946,1942,1943,
 &end
#
#    0 AMB  10-2:524      0 AMB  10-1:524    3.50    (#    524:10  Double Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1391,1986,
 igr2=1409,1984,
 &end
#
#    0 AMB  10-2:527      3 SER  HN          8.00    (#    527:10  Single Ambig)
 &rst
  ixpk= 527, nxpk= 10, iat=  -1,  35, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=   8,   9,  28,  29,  50,  51,
 &end
#
#    4 GLU  HA            4 GLU  HN          8.00    (#    529:10  Unique         2.81, 2.87 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  48,  46, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:530      4 GLU  HN          8.00    (#    530:10  Single Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,  46, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=  53,  54,  53,  54,
 &end
#
#    0 AMB  10-2:532      5 LYS  HN          8.00    (#    532:10  Single Ambig)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=  53,  54,  53,  54,
 &end
#
#    0 AMB  10-2:533      5 LYS  HN          8.00    (#    533:10  Single Ambig)
 &rst
  ixpk= 533, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=  50,  51, 806,
 &end
#
#    4 GLU  HB-           5 LYS  HN          8.00    (#    534:10  Unique         1.85, 4.03 A)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=  50,  51,
 &end
#
#    5 LYS  HG-           5 LYS  HN          8.00    (#    535:10  Unique         2.31, 4.38 A)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,  61, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=  68,  69,
 &end
#
#    6 THR  HB            6 THR  HN          8.00    (#    536:10  Unique         3.03, 3.16 A)
 &rst
  ixpk= 536, nxpk= 10, iat=  87,  83, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    6 THR  HA            6 THR  HN          6.00    (#    537:10  Unique         2.82, 2.87 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  85,  83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 GLN  HB-           6 THR  HN          8.00    (#    538:10  Unique         2.55, 4.03 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 143, 144,
 &end
#
#    0 AMB  10-2:539      6 THR  HN          6.00    (#    539:10  Single Ambig)
 &rst
  ixpk= 539, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  65,  66,  65,  66,
 &end
#
#    0 AMB  10-2:540      6 THR  HN          8.00    (#    540:10  Single Ambig)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,  83, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=  68,  69,  71,  72,
 &end
#
#    8 LYS  HN            7 PHE  HN          8.00    (#    541:10  Unique         2.43, 2.57 A)
 &rst
  ixpk= 541, nxpk= 10, iat= 117,  97, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    7 PHE  HD            7 PHE  HN          8.00    (#    542:10  Unique         1.93, 3.91 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 105, 113,
 &end
#
#    7 PHE  HA            7 PHE  HN          8.00    (#    543:10  Unique         2.80, 2.86 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  99,  97, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    6 THR  MG2           7 PHE  HN          6.00    (#    544:10  Unique         1.69, 2.97 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  89,  90,  91,
 &end
#
#    9 GLN  HN            8 LYS  HN          8.00    (#    545:10  Unique         2.26, 2.53 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 139, 117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:546      8 LYS  HN          8.00    (#    546:10  Single Ambig)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 119, 875,
 &end
#
#    7 PHE  HB-           8 LYS  HN          8.00    (#    547:10  Unique         3.23, 4.04 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 101, 102,
 &end
#
#    8 LYS  HN            9 GLN  HN          8.00    (#    550:10  Unique         2.26, 2.53 A)
 &rst
  ixpk= 550, nxpk= 10, iat= 117, 139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    6 THR  HN            9 GLN  HN          8.00    (#    551:10  Unique         3.66, 4.34 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  83, 139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   10 ARG  HN            9 GLN  HN          6.00    (#    552:10  Unique         2.02, 2.37 A)
 &rst
  ixpk= 552, nxpk= 10, iat= 156, 139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 GLN  HA            9 GLN  HN          6.00    (#    553:10  Unique         2.82, 2.93 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 141, 139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 GLN  HB-           9 GLN  HN          8.00    (#    554:10  Unique         2.20, 2.70 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 143, 144,
 &end
#
#    0 AMB  10-2:555      9 GLN  HN          6.00    (#    555:10  Single Ambig)
 &rst
  ixpk= 555, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 163, 164, 124, 125, 121, 122, 121, 122,  65,  66,
        65,  66,
 &end
#
#   87 SER  HN           86 HIS  HN          8.00    (#    556:10  Unique         3.90, 3.99 A)
 &rst
  ixpk= 556, nxpk= 10, iat=1502,1484, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   86 HIS  HD2          86 HIS  HN          8.00    (#    557:10  Unique         4.26, 5.01 A)
 &rst
  ixpk= 557, nxpk= 10, iat=1498,1484, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:559     86 HIS  HN          8.00    (#    559:10  Single Ambig)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1504,1465,
 &end
#
#    0 AMB  10-2:560     86 HIS  HN          8.00    (#    560:10  Single Ambig)
 &rst
  ixpk= 560, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1451,1517,1518,
 &end
#
#   82 LEU  HB+          86 HIS  HN          8.00    (#    561:10  Unique         2.05, 2.97 A)
 &rst
  ixpk= 561, nxpk= 10, iat=  -1,1484, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1432,1433,
 &end
#
#   40 GLY  HA+          41 GLU  HN          6.00    (#    562:10  Unique         2.48, 3.09 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 710, 711,
 &end
#
#   39 LYS  HA           41 GLU  HN          8.00    (#    563:10  Unique         3.73, 4.29 A)
 &rst
  ixpk= 563, nxpk= 10, iat= 688, 715, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   40 GLY  HA-          41 GLU  HN          8.00    (#    564:10  Unique         2.48, 3.09 A)
 &rst
  ixpk= 564, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 710, 711,
 &end
#
#   38 TYR  HB-          41 GLU  HN          6.00    (#    565:10  Unique         2.89, 5.07 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 669, 670,
 &end
#
#   41 GLU  HG-          41 GLU  HN          8.00    (#    566:10  Unique         3.35, 4.49 A)
 &rst
  ixpk= 566, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 722, 723,
 &end
#
#   37 ARG  HG+          41 GLU  HN          8.00    (#    567:10  Unique         4.05, 5.96 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1, 715, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 648, 649,
 &end
#
#  117 GLU  HG-         118 THR  HN          8.00    (#    571:10  Unique         1.96, 3.43 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1970, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1962,1963,
 &end
#
#   14 GLU  HN           13 PHE  HN          6.00    (#    572:10  Unique         2.82, 2.97 A)
 &rst
  ixpk= 572, nxpk= 10, iat= 238, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HD           13 PHE  HN          8.00    (#    573:10  Unique         2.73, 4.41 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 226, 234,
 &end
#
#   12 THR  HA           13 PHE  HN          6.00    (#    574:10  Unique         2.41, 2.55 A)
 &rst
  ixpk= 574, nxpk= 10, iat= 206, 218, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 PHE  HB+          13 PHE  HN          6.00    (#    575:10  Unique         2.06, 2.64 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#   13 PHE  HB-          13 PHE  HN          6.00    (#    576:10  Unique         2.06, 2.64 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1, 218, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 222, 223,
 &end
#
#   13 PHE  HD           14 GLU  HN          8.00    (#    577:10  Unique         2.83, 4.83 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 226, 234,
 &end
#
#    0 AMB  10-2:578     14 GLU  HN          8.00    (#    578:10  Single Ambig)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 220, 255,
 &end
#
#   14 GLU  HG+          14 GLU  HN          8.00    (#    579:10  Unique         2.32, 2.97 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 245, 246,
 &end
#
#    0 AMB  10-2:580     14 GLU  HN          8.00    (#    580:10  Single Ambig)
 &rst
  ixpk= 580, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 210, 211, 212, 184, 185,
 &end
#
#   14 GLU  HN           15 GLN  HN          6.00    (#    581:10  Unique         2.97, 3.13 A)
 &rst
  ixpk= 581, nxpk= 10, iat= 238, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 ARG  HN           15 GLN  HN          6.00    (#    582:10  Unique         2.71, 2.88 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 270, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   15 GLN  HA           15 GLN  HN          6.00    (#    583:10  Unique         2.74, 2.78 A)
 &rst
  ixpk= 583, nxpk= 10, iat= 255, 253, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLU  HA           15 GLN  HN          8.00    (#    584:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 584, nxpk= 10, iat= 240, 253, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:585     15 GLN  HN          8.00    (#    585:10  Single Ambig)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1, 253, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 314, 315, 314, 315,
 &end
#
#   15 GLN  HB-          15 GLN  HN          6.00    (#    586:10  Unique         2.29, 2.96 A)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 257, 258,
 &end
#
#   14 GLU  HB+          15 GLN  HN          6.00    (#    587:10  Unique         1.95, 2.40 A)
 &rst
  ixpk= 587, nxpk= 10, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 242, 243,
 &end
#
#   16 ARG  HA           16 ARG  HN          8.00    (#    588:10  Unique         2.68, 2.78 A)
 &rst
  ixpk= 588, nxpk= 10, iat= 272, 270, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   15 GLN  HB+          16 ARG  HN          8.00    (#    589:10  Unique         2.22, 2.96 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 257, 258,
 &end
#
#   18 GLU  HN           17 VAL  HN          8.00    (#    590:10  Unique         2.70, 2.87 A)
 &rst
  ixpk= 590, nxpk= 10, iat= 310, 294, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   17 VAL  HA           17 VAL  HN          6.00    (#    591:10  Unique         2.80, 2.81 A)
 &rst
  ixpk= 591, nxpk= 10, iat= 296, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  HB           17 VAL  HN          6.00    (#    592:10  Unique         2.30, 2.37 A)
 &rst
  ixpk= 592, nxpk= 10, iat= 298, 294, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 VAL  MGX          17 VAL  HN          8.00    (#    593:10  Unique         2.16, 3.89 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1, 294, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 300, 301, 302, 304, 305, 306,
 &end
#
#   19 ASP  HA           18 GLU  HN          8.00    (#    594:10  Unique         5.38, 5.51 A)
 &rst
  ixpk= 594, nxpk= 10, iat= 327, 310, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   15 GLN  HA           18 GLU  HN          6.00    (#    595:10  Unique         3.42, 3.67 A)
 &rst
  ixpk= 595, nxpk= 10, iat= 255, 310, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:596     18 GLU  HN          8.00    (#    596:10  Single Ambig)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 310, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 329, 330, 329, 330, 363, 364,
 &end
#
#    0 AMB  10-2:598    109 LEU  HN          6.00    (#    598:10  Single Ambig)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1827,1828, 565, 566,
 &end
#
#    0 AMB  10-2:599     19 ASP  HN          6.00    (#    599:10  Single Ambig)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 314, 315, 314, 315,
 &end
#
#   19 ASP  HA           20 VAL  HN          8.00    (#    600:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 600, nxpk= 10, iat= 327, 337, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   20 VAL  MGY          20 VAL  HN          8.00    (#    601:10  Unique         2.09, 3.89 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 337, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#   21 ARG  HG-          21 ARG  HN          8.00    (#    603:10  Unique         3.34, 3.95 A)
 &rst
  ixpk= 603, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 360, 361,
 &end
#
#   20 VAL  MGX          21 ARG  HN          8.00    (#    604:10  Unique         3.21, 4.78 A)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1, 353, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#   24 ARG  HN           22 LEU  HN          8.00    (#    606:10  Unique         4.13, 4.28 A)
 &rst
  ixpk= 606, nxpk= 10, iat= 415, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   19 ASP  HA           22 LEU  HN          8.00    (#    607:10  Unique         3.91, 4.12 A)
 &rst
  ixpk= 607, nxpk= 10, iat= 327, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   18 GLU  HA           22 LEU  HN          8.00    (#    608:10  Unique         3.59, 3.87 A)
 &rst
  ixpk= 608, nxpk= 10, iat= 312, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   21 ARG  HA           22 LEU  HN          8.00    (#    609:10  Unique         3.56, 3.56 A)
 &rst
  ixpk= 609, nxpk= 10, iat= 355, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:610     22 LEU  HN          8.00    (#    610:10  Single Ambig)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 377, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 363, 364, 339, 329, 330,
 &end
#
#    0 AMB  10-2:611     23 ILE  HN          6.00    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 377, 353,
 &end
#
#    0 AMB  10-2:612     23 ILE  HN          6.00    (#    612:10  Single Ambig)
 &rst
  ixpk= 612, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 398, 379,
 &end
#
#    0 AMB  10-2:613     23 ILE  HN          8.00    (#    613:10  Single Ambig)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 339, 329, 330, 329, 330,
 &end
#
#    0 AMB  10-2:614     23 ILE  HN          4.50    (#    614:10  Single Ambig)
 &rst
  ixpk= 614, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 384, 400,
 &end
#
#   23 ILE  HG1-         23 ILE  HN          8.00    (#    615:10  Unique         4.13, 4.44 A)
 &rst
  ixpk= 615, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 406, 407,
 &end
#
#   23 ILE  QD1          23 ILE  HN          6.00    (#    616:10  Unique         4.29, 5.32 A)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 409, 410, 411,
 &end
#
#   23 ILE  HG1+         23 ILE  HN          8.00    (#    617:10  Unique         4.13, 4.44 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 396, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 406, 407,
 &end
#
#    0 AMB  10-2:618     24 ARG  HN          8.00    (#    618:10  Single Ambig)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 377, 353,
 &end
#
#   25 GLU  HN           24 ARG  HN          6.00    (#    619:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 619, nxpk= 10, iat= 439, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ARG  HA           24 ARG  HN          6.00    (#    620:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 620, nxpk= 10, iat= 417, 415, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 ARG  HA           24 ARG  HN          8.00    (#    621:10  Unique         3.44, 3.64 A)
 &rst
  ixpk= 621, nxpk= 10, iat= 355, 415, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:622     24 ARG  HN          8.00    (#    622:10  Single Ambig)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 339, 363, 364, 329, 330,
 &end
#
#    0 AMB  10-2:623     24 ARG  HN          8.00    (#    623:10  Single Ambig)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 461, 462, 443, 444, 443, 444,
 &end
#
#   24 ARG  HG-          24 ARG  HN          6.00    (#    624:10  Unique         2.74, 3.31 A)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 422, 423,
 &end
#
#    0 AMB  10-2:625     24 ARG  HN          8.00    (#    625:10  Single Ambig)
 &rst
  ixpk= 625, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 409, 410, 411, 343, 344, 345, 347, 348, 349,
 &end
#
#    0 AMB  10-2:626     24 ARG  HN          8.00    (#    626:10  Single Ambig)
 &rst
  ixpk= 626, nxpk= 10, iat=  -1, 415, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 343, 344, 345, 347, 348, 349, 936, 937, 938, 940,
       941, 942,
 &end
#
#   23 ILE  HN           25 GLU  HN          8.00    (#    627:10  Unique         3.66, 3.89 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 396, 439, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   27 HIS  HN           25 GLU  HN          8.00    (#    628:10  Unique         3.49, 3.73 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 471, 439, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   21 ARG  HG+          25 GLU  HN          8.00    (#    629:10  Unique         5.43, 6.68 A)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 360, 361,
 &end
#
#    0 AMB  10-2:630     25 GLU  HN          8.00    (#    630:10  Single Ambig)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 439, r1= 1.30, r2= 1.80, r3=11.54, r4=12.04,
 igr1= 402, 403, 404, 386, 387, 388, 390, 391, 392,
 &end
#
#    0 AMB  10-2:631     26 GLN  HN          6.00    (#    631:10  Single Ambig)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 398, 379,
 &end
#
#   23 ILE  QD1          26 GLN  HN          8.00    (#    632:10  Unique         5.06, 6.87 A)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 409, 410, 411,
 &end
#
#   26 GLN  HN           27 HIS  HN          4.50    (#    634:10  Unique         2.11, 2.38 A)
 &rst
  ixpk= 634, nxpk= 10, iat= 454, 471, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 HIS  HD2          27 HIS  HN          8.00    (#    635:10  Unique         2.45, 4.53 A)
 &rst
  ixpk= 635, nxpk= 10, iat= 485, 471, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   27 HIS  HA           27 HIS  HN          6.00    (#    636:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 636, nxpk= 10, iat= 473, 471, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 PRO  HD+          27 HIS  HN          8.00    (#    637:10  Unique         2.76, 3.67 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 490, 491,
 &end
#
#   28 PRO  HD-          27 HIS  HN          8.00    (#    638:10  Unique         2.76, 3.67 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 490, 491,
 &end
#
#   27 HIS  HB+          27 HIS  HN          6.00    (#    639:10  Unique         2.63, 3.30 A)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 475, 476,
 &end
#
#   26 GLN  HG-          27 HIS  HN          6.00    (#    641:10  Unique         1.85, 2.71 A)
 &rst
  ixpk= 641, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 461, 462,
 &end
#
#   26 GLN  HB-          27 HIS  HN          6.00    (#    642:10  Unique         3.17, 3.96 A)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1, 471, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 458, 459,
 &end
#
#   29 THR  HA           29 THR  HN          6.00    (#    643:10  Unique         2.89, 2.93 A)
 &rst
  ixpk= 643, nxpk= 10, iat= 505, 503, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 THR  HB           29 THR  HN          8.00    (#    644:10  Unique         3.50, 3.63 A)
 &rst
  ixpk= 644, nxpk= 10, iat= 507, 503, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   28 PRO  HD+          29 THR  HN          8.00    (#    645:10  Unique         2.66, 3.35 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 490, 491,
 &end
#
#    0 AMB  10-2:647     29 THR  HN          8.00    (#    647:10  Single Ambig)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1, 503, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 493, 494, 493, 494,
 &end
#
#   29 THR  HB           30 LYS  HN          8.00    (#    648:10  Unique         4.18, 4.38 A)
 &rst
  ixpk= 648, nxpk= 10, iat= 507, 517, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:649     30 LYS  HN          8.00    (#    649:10  Single Ambig)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1, 517, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 475, 476, 530, 531, 530, 531,
 &end
#
#   27 HIS  HB-          30 LYS  HN          8.00    (#    650:10  Unique         3.90, 5.00 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 475, 476,
 &end
#
#   31 ILE  HG1-         30 LYS  HN          8.00    (#    651:10  Unique         3.99, 5.05 A)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1, 517, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 549, 550,
 &end
#
#   56 ASP  HN           31 ILE  HN          8.00    (#    653:10  Unique         1.77, 2.83 A)
 &rst
  ixpk= 653, nxpk= 10, iat= 976, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   55 PRO  HA           31 ILE  HN          8.00    (#    655:10  Unique         3.60, 3.99 A)
 &rst
  ixpk= 655, nxpk= 10, iat= 972, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   31 ILE  HA           31 ILE  HN          8.00    (#    656:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 541, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   54 VAL  HB           31 ILE  HN          8.00    (#    657:10  Unique         3.92, 4.26 A)
 &rst
  ixpk= 657, nxpk= 10, iat= 950, 539, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:659     31 ILE  HN          6.00    (#    659:10  Single Ambig)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 549, 550, 931, 932,
 &end
#
#   95 ILE  QD1          31 ILE  HN          8.00    (#    660:10  Unique         4.89, 6.63 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1625,1626,1627,
 &end
#
#   52 PHE  HN           33 VAL  HN          8.00    (#    661:10  Unique         2.97, 3.84 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 907, 572, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  129 TYR  HH           33 VAL  HN          8.00    (#    662:10  Unique         5.59, 7.19 A)
 &rst
  ixpk= 662, nxpk= 10, iat=2133, 572, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:663     33 VAL  HN          8.00    (#    663:10  Single Ambig)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 565, 566,1827,1828,
 &end
#
#   53 LEU  MDY          33 VAL  HN          8.00    (#    664:10  Unique         2.39, 4.87 A)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   34 ILE  HA           34 ILE  HN          8.00    (#    665:10  Unique         2.93, 2.96 A)
 &rst
  ixpk= 665, nxpk= 10, iat= 590, 588, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   33 VAL  HB           34 ILE  HN          6.00    (#    667:10  Unique         2.62, 3.75 A)
 &rst
  ixpk= 667, nxpk= 10, iat= 576, 588, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 ILE  QG2          34 ILE  HN          8.00    (#    668:10  Unique         4.03, 4.64 A)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 594, 595, 596,
 &end
#
#   34 ILE  HG1-         34 ILE  HN          8.00    (#    669:10  Unique         2.09, 3.33 A)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 598, 599,
 &end
#
#   34 ILE  QD1          34 ILE  HN          8.00    (#    670:10  Unique         2.08, 4.16 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 601, 602, 603,
 &end
#
#   34 ILE  HB           35 ILE  HN          8.00    (#    672:10  Unique         3.70, 4.25 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 592, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:673     35 ILE  HN          8.00    (#    673:10  Single Ambig)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#  111 MET  HN           36 GLU  HN          8.00    (#    674:10  Unique         3.49, 4.31 A)
 &rst
  ixpk= 674, nxpk= 10, iat=1863, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   37 ARG  HN           36 GLU  HN          8.00    (#    675:10  Unique         4.21, 4.37 A)
 &rst
  ixpk= 675, nxpk= 10, iat= 641, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  112 VAL  HN           36 GLU  HN          8.00    (#    676:10  Unique         4.56, 4.94 A)
 &rst
  ixpk= 676, nxpk= 10, iat=1880, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  113 TYR  HN           36 GLU  HN          8.00    (#    677:10  Unique         2.85, 3.41 A)
 &rst
  ixpk= 677, nxpk= 10, iat=1896, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  112 VAL  HA           36 GLU  HN          6.00    (#    678:10  Unique         2.15, 2.87 A)
 &rst
  ixpk= 678, nxpk= 10, iat=1882, 626, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:679     36 GLU  HN          6.00    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1= 630, 631,1867,1868,1867,1868,1884,
 &end
#
#   35 ILE  HB           36 GLU  HN          8.00    (#    680:10  Unique         3.35, 4.30 A)
 &rst
  ixpk= 680, nxpk= 10, iat= 611, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   35 ILE  HG1-         36 GLU  HN          8.00    (#    681:10  Unique         2.56, 3.62 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 617, 618,
 &end
#
#   81 LEU  MDY          36 GLU  HN          6.00    (#    682:10  Unique         5.31, 7.27 A)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1418,1419,1420,1422,1423,1424,
 &end
#
#   34 ILE  QG2          36 GLU  HN          8.00    (#    683:10  Unique         3.09, 4.88 A)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1, 626, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 594, 595, 596,
 &end
#
#    0 AMB  10-2:684     37 ARG  HN          8.00    (#    684:10  Single Ambig)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 740, 741, 773, 774,
 &end
#
#   37 ARG  HG-          37 ARG  HN          8.00    (#    685:10  Unique         1.95, 3.72 A)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 648, 649,
 &end
#
#   39 LYS  HN           38 TYR  HN          8.00    (#    686:10  Unique         4.33, 4.54 A)
 &rst
  ixpk= 686, nxpk= 10, iat= 686, 665, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  113 TYR  HN           38 TYR  HN          6.00    (#    687:10  Unique         2.49, 3.01 A)
 &rst
  ixpk= 687, nxpk= 10, iat=1896, 665, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 TYR  HD           38 TYR  HN          6.00    (#    688:10  Unique         1.77, 3.41 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 673, 682,
 &end
#
#    0 AMB  10-2:689     38 TYR  HN          8.00    (#    689:10  Single Ambig)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1904,1913,1950,1951,
 &end
#
#   37 ARG  HG-          38 TYR  HN          8.00    (#    690:10  Unique         2.42, 3.98 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 648, 649,
 &end
#
#   38 TYR  HN           39 LYS  HN          8.00    (#    691:10  Unique         4.33, 4.54 A)
 &rst
  ixpk= 691, nxpk= 10, iat= 665, 686, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:692     39 LYS  HN          8.00    (#    692:10  Single Ambig)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 686, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 669, 670, 743, 744,
 &end
#
#   39 LYS  HA           40 GLY  HN          6.00    (#    694:10  Unique         2.14, 2.84 A)
 &rst
  ixpk= 694, nxpk= 10, iat= 688, 708, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 LYS  HG-          40 GLY  HN          8.00    (#    696:10  Unique         2.55, 4.51 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 708, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 693, 694,
 &end
#
#   42 LYS  HN           43 GLN  HN          6.00    (#    697:10  Unique         2.43, 3.16 A)
 &rst
  ixpk= 697, nxpk= 10, iat= 730, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   41 GLU  HA           43 GLN  HN          8.00    (#    698:10  Unique         3.81, 4.29 A)
 &rst
  ixpk= 698, nxpk= 10, iat= 717, 752, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   44 LEU  HG           43 GLN  HN          6.00    (#    699:10  Unique         3.98, 4.66 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 776, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:700     43 GLN  HN          8.00    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 734, 735, 773, 774,
 &end
#
#    0 AMB  10-2:701     43 GLN  HN          8.00    (#    701:10  Single Ambig)
 &rst
  ixpk= 701, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
 igr1= 645, 646, 737, 738,1921,1922,1923,
 &end
#
#   43 GLN  HA           44 LEU  HN          8.00    (#    702:10  Unique         3.51, 3.56 A)
 &rst
  ixpk= 702, nxpk= 10, iat= 754, 769, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   44 LEU  HB-          44 LEU  HN          6.00    (#    703:10  Unique         2.47, 3.11 A)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 773, 774,
 &end
#
#   46 VAL  HA           46 VAL  HN          6.00    (#    704:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 704, nxpk= 10, iat= 804, 802, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 LEU  HA           47 LEU  HN          8.00    (#    706:10  Unique         2.76, 2.86 A)
 &rst
  ixpk= 706, nxpk= 10, iat= 820, 818, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:707     47 LEU  HN          8.00    (#    707:10  Single Ambig)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 818, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
      1299,1300,
 &end
#
#   49 LYS  HN           48 ASP  HN          6.00    (#    708:10  Unique         1.66, 3.41 A)
 &rst
  ixpk= 708, nxpk= 10, iat= 849, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 ASP  HA           48 ASP  HN          6.00    (#    710:10  Unique         2.75, 2.85 A)
 &rst
  ixpk= 710, nxpk= 10, iat= 839, 837, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:711     48 ASP  HN          6.00    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 837, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  28,  29,2054,2055,
 &end
#
#   48 ASP  HB+          49 LYS  HN          8.00    (#    712:10  Unique         1.90, 4.12 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 841, 842,
 &end
#
#   49 LYS  HB-          49 LYS  HN          6.00    (#    713:10  Unique         2.42, 3.18 A)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 853, 854,
 &end
#
#   50 THR  HB           50 THR  HN          6.00    (#    714:10  Unique         2.42, 3.06 A)
 &rst
  ixpk= 714, nxpk= 10, iat= 875, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:715     50 THR  HN          8.00    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 871, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 895, 896, 856, 857, 856, 857,
 &end
#
#   52 PHE  HD           51 LYS  HN          6.00    (#    716:10  Unique         4.54, 7.04 A)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 915, 923,
 &end
#
#    0 AMB  10-2:718     51 LYS  HN          6.00    (#    718:10  Single Ambig)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 887, 851,
 &end
#
#   50 THR  HB           51 LYS  HN          8.00    (#    719:10  Unique         1.85, 3.04 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 875, 885, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:720     51 LYS  HN          8.00    (#    720:10  Single Ambig)
 &rst
  ixpk= 720, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 853, 854, 163, 164,
 &end
#
#    0 AMB  10-2:721     51 LYS  HN          6.00    (#    721:10  Single Ambig)
 &rst
  ixpk= 721, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 889, 890, 877, 878, 879,
 &end
#
#   51 LYS  HG+          51 LYS  HN          8.00    (#    722:10  Unique         1.84, 3.76 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 885, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 892, 893,
 &end
#
#   33 VAL  HN           52 PHE  HN          8.00    (#    723:10  Unique         2.97, 3.84 A)
 &rst
  ixpk= 723, nxpk= 10, iat= 572, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   51 LYS  HN           52 PHE  HN          8.00    (#    724:10  Unique         4.01, 4.40 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 885, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 PHE  HA           52 PHE  HN          8.00    (#    725:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 725, nxpk= 10, iat= 909, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   34 ILE  HA           52 PHE  HN          8.00    (#    726:10  Unique         2.55, 3.16 A)
 &rst
  ixpk= 726, nxpk= 10, iat= 590, 907, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   52 PHE  HB-          52 PHE  HN          6.00    (#    727:10  Unique         2.59, 3.37 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 911, 912,
 &end
#
#    0 AMB  10-2:728     52 PHE  HN          8.00    (#    728:10  Single Ambig)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 898, 899, 576,
 &end
#
#    0 AMB  10-2:729     52 PHE  HN          8.00    (#    729:10  Single Ambig)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3=12.42, r4=12.92,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584, 931, 932,
 &end
#
#   34 ILE  QD1          52 PHE  HN          8.00    (#    730:10  Unique         3.31, 6.62 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1, 907, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 601, 602, 603,
 &end
#
#   52 PHE  HD           53 LEU  HN          8.00    (#    731:10  Unique         1.87, 4.27 A)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 915, 923,
 &end
#
#   52 PHE  HB+          53 LEU  HN          6.00    (#    733:10  Unique         2.33, 3.62 A)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 911, 912,
 &end
#
#  131 VAL  HB           53 LEU  HN          8.00    (#    734:10  Unique         1.99, 2.31 A)
 &rst
  ixpk= 734, nxpk= 10, iat=2160, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:735     53 LEU  HN          8.00    (#    735:10  Single Ambig)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3=11.06, r4=11.56,
 igr1=2176,2177,2210, 611, 543, 565, 566,
 &end
#
#   53 LEU  HG           53 LEU  HN          8.00    (#    736:10  Unique         2.24, 3.72 A)
 &rst
  ixpk= 736, nxpk= 10, iat= 934, 927, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   53 LEU  MDX          53 LEU  HN          8.00    (#    737:10  Unique         3.25, 5.07 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1, 927, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 936, 937, 938, 940, 941, 942,
 &end
#
#   30 LYS  HA           54 VAL  HN          8.00    (#    739:10  Unique         4.08, 4.58 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 519, 946, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   53 LEU  HB+          54 VAL  HN          8.00    (#    740:10  Unique         2.49, 3.50 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 931, 932,
 &end
#
#   53 LEU  HG           54 VAL  HN          6.00    (#    741:10  Unique         3.54, 4.15 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 934, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 ASP  HN           57 HIS  HN          6.00    (#    742:10  Unique         2.91, 3.22 A)
 &rst
  ixpk= 742, nxpk= 10, iat= 976, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:743     57 HIS  HN          8.00    (#    743:10  Single Ambig)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 972,1608,
 &end
#
#   56 ASP  HA           57 HIS  HN          8.00    (#    744:10  Unique         2.45, 2.61 A)
 &rst
  ixpk= 744, nxpk= 10, iat= 978, 988, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   55 PRO  HB+          57 HIS  HN          8.00    (#    746:10  Unique         3.92, 5.06 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 969, 970,
 &end
#
#   55 PRO  HB-          57 HIS  HN          8.00    (#    747:10  Unique         3.92, 5.06 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 969, 970,
 &end
#
#    0 AMB  10-2:748     57 HIS  HN          8.00    (#    748:10  Single Ambig)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1618,1619,1620, 549, 550,
 &end
#
#    0 AMB  10-2:749     57 HIS  HN          6.00    (#    749:10  Single Ambig)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1, 988, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1012,1013,1014,1016,1017,1018,1625,1626,1627,
 &end
#
#   96 SER  HN           97 GLU  HN          6.00    (#    750:10  Unique         2.84, 2.97 A)
 &rst
  ixpk= 750, nxpk= 10, iat=1631,1642, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ASN  HB-          59 ASN  HN          8.00    (#    751:10  Unique         2.53, 3.25 A)
 &rst
  ixpk= 751, nxpk= 10, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1026,1027,
 &end
#
#    0 AMB  10-2:753     60 MET  HN          6.00    (#    753:10  Single Ambig)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1517,1518,1010,
 &end
#
#    0 AMB  10-2:754     60 MET  HN          8.00    (#    754:10  Single Ambig)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#   91 VAL  HA           61 SER  HN          8.00    (#    757:10  Unique         5.39, 6.66 A)
 &rst
  ixpk= 757, nxpk= 10, iat=1559,1053, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   59 ASN  HB+          61 SER  HN          8.00    (#    758:10  Unique         2.82, 3.77 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1026,1027,
 &end
#
#   61 SER  HA           62 GLU  HN          6.00    (#    759:10  Unique         3.51, 3.55 A)
 &rst
  ixpk= 759, nxpk= 10, iat=1055,1064, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 MET  HB-          62 GLU  HN          8.00    (#    762:10  Unique         4.49, 5.20 A)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1040,1041,
 &end
#
#   63 LEU  HB-          62 GLU  HN          8.00    (#    763:10  Unique         4.56, 5.80 A)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1083,1084,
 &end
#
#    0 AMB  10-2:764     62 GLU  HN          8.00    (#    764:10  Single Ambig)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1111,1112,1113,1104,1105,1106,
 &end
#
#   63 LEU  HG           63 LEU  HN          6.00    (#    765:10  Unique         1.89, 2.56 A)
 &rst
  ixpk= 765, nxpk= 10, iat=1086,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 SER  HA           64 ILE  HN          8.00    (#    766:10  Unique         3.54, 3.90 A)
 &rst
  ixpk= 766, nxpk= 10, iat=1055,1098, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:767     64 ILE  HN          8.00    (#    767:10  Single Ambig)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,1098, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1081,1066,
 &end
#
#   63 LEU  HG           64 ILE  HN          6.00    (#    768:10  Unique         1.95, 2.73 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1086,1098, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:769     65 LYS  HN          6.00    (#    769:10  Single Ambig)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1098,1158,
 &end
#
#   64 ILE  HA           65 LYS  HN          8.00    (#    771:10  Unique         3.51, 3.54 A)
 &rst
  ixpk= 771, nxpk= 10, iat=1100,1117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   66 ILE  HA           67 ILE  HN          8.00    (#    772:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 772, nxpk= 10, iat=1141,1158, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:773     67 ILE  HN          6.00    (#    773:10  Single Ambig)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1=1152,1153,1154,1088,1089,1090,1092,1093,1094,
 &end
#
#   65 LYS  HA           68 ARG  HN          8.00    (#    774:10  Unique         3.22, 3.49 A)
 &rst
  ixpk= 774, nxpk= 10, iat=1119,1177, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:775     68 ARG  HN          4.50    (#    775:10  Single Ambig)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1181,1182,1181,1182,
 &end
#
#   68 ARG  HG-          68 ARG  HN          6.00    (#    776:10  Unique         4.00, 4.41 A)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1,1177, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1184,1185,
 &end
#
#   65 LYS  HA           69 ARG  HN          8.00    (#    778:10  Unique         3.75, 4.36 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1119,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   66 ILE  HA           69 ARG  HN          8.00    (#    779:10  Unique         3.42, 3.68 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1141,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:780     69 ARG  HN          8.00    (#    780:10  Single Ambig)
 &rst
  ixpk= 780, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1211,1212,1211,1212,
 &end
#
#   68 ARG  HA           69 ARG  HN          8.00    (#    781:10  Unique         3.52, 3.54 A)
 &rst
  ixpk= 781, nxpk= 10, iat=1179,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   68 ARG  HG-          69 ARG  HN          8.00    (#    782:10  Unique         2.85, 4.18 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1184,1185,
 &end
#
#   73 LEU  HN           71 LEU  HN          8.00    (#    785:10  Unique         4.30, 5.34 A)
 &rst
  ixpk= 785, nxpk= 10, iat=1285,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   72 GLN  HA           71 LEU  HN          8.00    (#    786:10  Unique         4.42, 4.72 A)
 &rst
  ixpk= 786, nxpk= 10, iat=1270,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   67 ILE  HA           71 LEU  HN          8.00    (#    787:10  Unique         2.78, 3.75 A)
 &rst
  ixpk= 787, nxpk= 10, iat=1160,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   68 ARG  HA           71 LEU  HN          8.00    (#    788:10  Unique         3.34, 3.82 A)
 &rst
  ixpk= 788, nxpk= 10, iat=1179,1249, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:789     71 LEU  HN          8.00    (#    789:10  Single Ambig)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1275,1276,1275,1276,1272,1273,
 &end
#
#   47 LEU  HB+          71 LEU  HN          8.00    (#    790:10  Unique         4.99, 6.34 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 822, 823,
 &end
#
#    0 AMB  10-2:791     71 LEU  HN          8.00    (#    791:10  Single Ambig)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1249, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 827, 828, 829, 831, 832, 833, 827, 828, 829, 831,
       832, 833,
 &end
#
#   70 ARG  HN           72 GLN  HN          8.00    (#    792:10  Unique         3.53, 4.22 A)
 &rst
  ixpk= 792, nxpk= 10, iat=1225,1268, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:794     72 GLN  HN          8.00    (#    794:10  Single Ambig)
 &rst
  ixpk= 794, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1229,1230,1229,1230,1205,1206,
 &end
#
#    0 AMB  10-2:795     72 GLN  HN          8.00    (#    795:10  Single Ambig)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1292,1208,1209,1232,1233,
 &end
#
#    0 AMB  10-2:796     72 GLN  HN          8.00    (#    796:10  Single Ambig)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1258,1259,1260,1262,1263,1264,1294,1295,1296,1298,
      1299,1300,
 &end
#
#   67 ILE  QG2          72 GLN  HN          8.00    (#    797:10  Unique         5.56, 7.41 A)
 &rst
  ixpk= 797, nxpk= 10, iat=  -1,1268, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1164,1165,1166,
 &end
#
#    0 AMB  10-2:798     73 LEU  HN          8.00    (#    798:10  Single Ambig)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1251,1227,
 &end
#
#   72 GLN  HA           73 LEU  HN          6.00    (#    799:10  Unique         2.14, 2.62 A)
 &rst
  ixpk= 799, nxpk= 10, iat=1270,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 ARG  HA           73 LEU  HN          8.00    (#    800:10  Unique         4.28, 5.47 A)
 &rst
  ixpk= 800, nxpk= 10, iat=1179,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:801     73 LEU  HN          6.00    (#    801:10  Single Ambig)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1272,1273,1275,1276,1275,1276,
 &end
#
#   77 GLN  HE2+         74 ASN  HN          8.00    (#    802:10  Unique         2.58, 6.37 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1354,1355,
 &end
#
#   74 ASN  HD2+         74 ASN  HN          8.00    (#    803:10  Unique         2.75, 4.95 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1313,1314,
 &end
#
#    0 AMB  10-2:804     74 ASN  HN          8.00    (#    804:10  Single Ambig)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1285,1342,
 &end
#
#   77 GLN  HG-          74 ASN  HN          8.00    (#    806:10  Unique         2.84, 4.37 A)
 &rst
  ixpk= 806, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1349,1350,
 &end
#
#    0 AMB  10-2:807     74 ASN  HN          8.00    (#    807:10  Single Ambig)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1346,1347,1272,1273,
 &end
#
#   77 GLN  HB-          74 ASN  HN          8.00    (#    808:10  Unique         2.18, 3.91 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1346,1347,
 &end
#
#    0 AMB  10-2:809     74 ASN  HN          8.00    (#    809:10  Single Ambig)
 &rst
  ixpk= 809, nxpk= 10, iat=  -1,1304, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1294,1295,1296,1298,1299,1300,1184,1185,
 &end
#
#   75 ALA  HA           75 ALA  HN          8.00    (#    810:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 810, nxpk= 10, iat=1320,1318, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   74 ASN  HB+          75 ALA  HN          8.00    (#    811:10  Unique         1.91, 3.18 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1308,1309,
 &end
#
#   74 ASN  HB-          75 ALA  HN          8.00    (#    812:10  Unique         1.91, 3.18 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,1318, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1308,1309,
 &end
#
#   75 ALA  HA           76 ASN  HN          8.00    (#    813:10  Unique         3.24, 3.42 A)
 &rst
  ixpk= 813, nxpk= 10, iat=1320,1328, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 GLN  HB+          76 ASN  HN          8.00    (#    815:10  Unique         3.71, 4.86 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1346,1347,
 &end
#
#    0 AMB  10-2:816     77 GLN  HN          8.00    (#    816:10  Single Ambig)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1318,1359,
 &end
#
#   75 ALA  HA           77 GLN  HN          8.00    (#    818:10  Unique         3.70, 4.83 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1320,1342, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:819     77 GLN  HN          6.00    (#    819:10  Single Ambig)
 &rst
  ixpk= 819, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1308,1309,1332,1333,1332,1333,
 &end
#
#   77 GLN  HG-          77 GLN  HN          6.00    (#    820:10  Unique         2.73, 4.28 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1349,1350,
 &end
#
#   77 GLN  HB+          77 GLN  HN          6.00    (#    821:10  Unique         2.07, 2.61 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1346,1347,
 &end
#
#    0 AMB  10-2:822     77 GLN  HN          8.00    (#    822:10  Single Ambig)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1289,1290,1322,1323,1324,
 &end
#
#    0 AMB  10-2:825     78 ALA  HN          8.00    (#    825:10  Single Ambig)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1369,1342,1337,1338,1285,
 &end
#
#   77 GLN  HE2-         78 ALA  HN          8.00    (#    826:10  Unique         1.84, 4.20 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1354,1355,
 &end
#
#   77 GLN  HG-          78 ALA  HN          8.00    (#    829:10  Unique         2.06, 3.25 A)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1349,1350,
 &end
#
#   77 GLN  HB+          78 ALA  HN          8.00    (#    830:10  Unique         2.67, 3.84 A)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1346,1347,
 &end
#
#   77 GLN  HB-          78 ALA  HN          6.00    (#    831:10  Unique         2.67, 3.84 A)
 &rst
  ixpk= 831, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1346,1347,
 &end
#
#   78 ALA  HN           79 PHE  HN          8.00    (#    832:10  Unique         4.24, 4.55 A)
 &rst
  ixpk= 832, nxpk= 10, iat=1359,1369, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 PHE  HN           79 PHE  HN          8.00    (#    833:10  Unique         3.89, 4.29 A)
 &rst
  ixpk= 833, nxpk= 10, iat=1389,1369, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 PHE  HE           79 PHE  HN          8.00    (#    835:10  Unique         3.08, 5.44 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1399,1403,
 &end
#
#    0 AMB  10-2:836     79 PHE  HN          8.00    (#    836:10  Single Ambig)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1377,1385,1397,1405,
 &end
#
#    0 AMB  10-2:837     79 PHE  HN          8.00    (#    837:10  Single Ambig)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1931,1932,1344,
 &end
#
#    0 AMB  10-2:838     79 PHE  HN          8.00    (#    838:10  Single Ambig)
 &rst
  ixpk= 838, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1184,1185,1294,1295,1296,1298,1299,1300,
 &end
#
#   79 PHE  HN           80 PHE  HN          8.00    (#    840:10  Unique         3.89, 4.29 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1369,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  113 TYR  HD           80 PHE  HN          8.00    (#    841:10  Unique         3.26, 5.61 A)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1904,1913,
 &end
#
#   79 PHE  HA           80 PHE  HN          3.50    (#    842:10  Unique         2.13, 2.24 A)
 &rst
  ixpk= 842, nxpk= 10, iat=1371,1389, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   79 PHE  HB-          80 PHE  HN          8.00    (#    843:10  Unique         2.55, 3.92 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1373,1374,
 &end
#
#    0 AMB  10-2:844     80 PHE  HN          8.00    (#    844:10  Single Ambig)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1921,1922,1923,1363,1364,1365,
 &end
#
#   44 LEU  MDX          80 PHE  HN          8.00    (#    845:10  Unique         2.77, 5.02 A)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 778, 779, 780, 782, 783, 784,
 &end
#
#   80 PHE  HB+          81 LEU  HN          8.00    (#    846:10  Unique         2.57, 3.75 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1393,1394,
 &end
#
#   81 LEU  HG           81 LEU  HN          8.00    (#    847:10  Unique         2.60, 3.67 A)
 &rst
  ixpk= 847, nxpk= 10, iat=1416,1409, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  113 TYR  HD           82 LEU  HN          8.00    (#    848:10  Unique         3.54, 5.89 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1904,1913,
 &end
#
#  113 TYR  HA           82 LEU  HN          8.00    (#    849:10  Unique         2.24, 2.75 A)
 &rst
  ixpk= 849, nxpk= 10, iat=1898,1428, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:850     82 LEU  HN          8.00    (#    850:10  Single Ambig)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1884,1867,1868,1867,1868,1047,1048,1049,
 &end
#
#   81 LEU  HB+          82 LEU  HN          8.00    (#    851:10  Unique         2.75, 4.08 A)
 &rst
  ixpk= 851, nxpk= 10, iat=  -1,1428, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1413,1414,
 &end
#
#   86 HIS  HN           83 VAL  HN          6.00    (#    852:10  Unique         2.37, 2.78 A)
 &rst
  ixpk= 852, nxpk= 10, iat=1484,1447, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   83 VAL  HA           83 VAL  HN          8.00    (#    853:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 853, nxpk= 10, iat=1449,1447, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:854     83 VAL  HN          8.00    (#    854:10  Single Ambig)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1520,1521,1520,1521,
 &end
#
#    0 AMB  10-2:855     83 VAL  HN          8.00    (#    855:10  Single Ambig)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1524,1525,1526,1517,1518,
 &end
#
#    0 AMB  10-2:856     83 VAL  HN          6.00    (#    856:10  Single Ambig)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#   85 GLY  HN           84 ASN  HN          6.00    (#    857:10  Unique         2.39, 2.51 A)
 &rst
  ixpk= 857, nxpk= 10, iat=1477,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  111 MET  HA           84 ASN  HN          8.00    (#    858:10  Unique         1.89, 2.18 A)
 &rst
  ixpk= 858, nxpk= 10, iat=1865,1463, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   82 LEU  HA           84 ASN  HN          6.00    (#    859:10  Unique         5.04, 5.25 A)
 &rst
  ixpk= 859, nxpk= 10, iat=1430,1463, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 ASN  HB+          84 ASN  HN          8.00    (#    861:10  Unique         3.10, 3.53 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1467,1468,
 &end
#
#   84 ASN  HB-          84 ASN  HN          8.00    (#    862:10  Unique         3.10, 3.53 A)
 &rst
  ixpk= 862, nxpk= 10, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1467,1468,
 &end
#
#   83 VAL  HB           84 ASN  HN          8.00    (#    863:10  Unique         3.76, 4.44 A)
 &rst
  ixpk= 863, nxpk= 10, iat=1451,1463, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:864     84 ASN  HN          6.00    (#    864:10  Single Ambig)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1,1463, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,1432,1433,1832,1833,1834,1836,1837,1838,
      
 &end
#
#   86 HIS  HN           85 GLY  HN          6.00    (#    865:10  Unique         2.01, 2.11 A)
 &rst
  ixpk= 865, nxpk= 10, iat=1484,1477, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:866     85 GLY  HN          8.00    (#    866:10  Single Ambig)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1,1477, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 &end
#
#   86 HIS  HN           87 SER  HN          8.00    (#    867:10  Unique         3.90, 3.99 A)
 &rst
  ixpk= 867, nxpk= 10, iat=1484,1502, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:868     87 SER  HN          8.00    (#    868:10  Single Ambig)
 &rst
  ixpk= 868, nxpk= 10, iat=  -1,1502, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  10-2:869     88 MET  HN          8.00    (#    869:10  Single Ambig)
 &rst
  ixpk= 869, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1530,1409,
 &end
#
#    0 AMB  10-2:870     88 MET  HN          6.00    (#    870:10  Single Ambig)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1506,1507,1506,1507,
 &end
#
#    0 AMB  10-2:871     88 MET  HN          6.00    (#    871:10  Single Ambig)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,1563,1564,1565,1567,1568,1569,1563,1564,
      1565,1567,1568,1569,1432,1433,1108,1109,
 &end
#
#   88 MET  HN           89 VAL  HN          8.00    (#    873:10  Unique         2.64, 3.14 A)
 &rst
  ixpk= 873, nxpk= 10, iat=1513,1530, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   86 HIS  HA           89 VAL  HN          8.00    (#    875:10  Unique         6.77, 7.11 A)
 &rst
  ixpk= 875, nxpk= 10, iat=1486,1530, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:877     89 VAL  HN          6.00    (#    877:10  Single Ambig)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1506,1507,1506,1507,
 &end
#
#    0 AMB  10-2:878     89 VAL  HN          8.00    (#    878:10  Single Ambig)
 &rst
  ixpk= 878, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1520,1521,1520,1521,
 &end
#
#   90 SER  HA           90 SER  HN          6.00    (#    880:10  Unique         2.91, 2.96 A)
 &rst
  ixpk= 880, nxpk= 10, iat=1548,1546, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   89 VAL  HB           90 SER  HN          8.00    (#    881:10  Unique         2.53, 3.25 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1534,1546, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:882     90 SER  HN          6.00    (#    882:10  Single Ambig)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   91 VAL  HA           91 VAL  HN          8.00    (#    883:10  Unique         2.83, 2.92 A)
 &rst
  ixpk= 883, nxpk= 10, iat=1559,1557, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   65 LYS  HA           66 ILE  HN          8.00    (#    884:10  Unique         3.52, 3.57 A)
 &rst
  ixpk= 884, nxpk= 10, iat=1119,1139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   88 MET  HB+          91 VAL  HN          8.00    (#    885:10  Unique         3.52, 5.60 A)
 &rst
  ixpk= 885, nxpk= 10, iat=  -1,1557, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1517,1518,
 &end
#
#    0 AMB  10-2:886      0 AMB  10-1:886    3.50    (#    886:10  Double Ambig)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1= 357, 358,1121,1122,1143,
 igr2= 353,1139,
 &end
#
#    0 AMB  10-2:888      0 AMB  10-1:888    6.00    (#    888:10  Double Ambig)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1127,1128,1127,1128, 360, 361,
 igr2=1139, 353,
 &end
#
#   93 THR  HN           92 SER  HN          8.00    (#    889:10  Unique         2.07, 2.83 A)
 &rst
  ixpk= 889, nxpk= 10, iat=1584,1573, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   91 VAL  HA           92 SER  HN          6.00    (#    891:10  Unique         2.20, 2.30 A)
 &rst
  ixpk= 891, nxpk= 10, iat=1559,1573, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   92 SER  HB+          92 SER  HN          8.00    (#    892:10  Unique         2.62, 3.24 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1577,1578,
 &end
#
#    0 AMB  10-2:893      0 AMB  10-1:893    8.00    (#    893:10  Double Ambig)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1577,1578, 296,
 igr2=1573, 294,
 &end
#
#    0 AMB  10-2:894     92 SER  HN          6.00    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1563,1564,1565,1567,1568,1569,1563,1564,1565,1567,
      1568,1569,
 &end
#
#    0 AMB  10-2:895     93 THR  HN          8.00    (#    895:10  Single Ambig)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1036,1557,
 &end
#
#   91 VAL  HA           93 THR  HN          6.00    (#    897:10  Unique         3.90, 4.41 A)
 &rst
  ixpk= 897, nxpk= 10, iat=1559,1584, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 MET  HG+          93 THR  HN          8.00    (#    898:10  Unique         4.35, 5.33 A)
 &rst
  ixpk= 898, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1043,1044,
 &end
#
#    0 AMB  10-2:899     93 THR  HN          8.00    (#    899:10  Single Ambig)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1605,1606,1646,1647,1602,1603,
 &end
#
#    0 AMB  10-2:902     95 ILE  HN          6.00    (#    902:10  Single Ambig)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1614,1635,1636,1635,1636,
 &end
#
#   94 PRO  HB+          95 ILE  HN          8.00    (#    903:10  Unique         2.23, 3.27 A)
 &rst
  ixpk= 903, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1605,1606,
 &end
#
#    0 AMB  10-2:904     95 ILE  HN          8.00    (#    904:10  Single Ambig)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1622,1623,1590,1591,1592,1086,
 &end
#
#   95 ILE  HG1+         95 ILE  HN          8.00    (#    905:10  Unique         3.93, 4.41 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1622,1623,
 &end
#
#   98 VAL  MGY          95 ILE  HN          8.00    (#    906:10  Unique         4.97, 6.92 A)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#    0 AMB  10-2:907     95 ILE  HN          6.00    (#    907:10  Single Ambig)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1612, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1012,1013,1014,1016,1017,1018,1088,1089,1090,1092,
      1093,1094,1625,1626,1627,
 &end
#
#   94 PRO  HA           96 SER  HN          8.00    (#    908:10  Unique         3.73, 3.91 A)
 &rst
  ixpk= 908, nxpk= 10, iat=1608,1631, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   56 ASP  HA           96 SER  HN          8.00    (#    909:10  Unique         4.40, 4.78 A)
 &rst
  ixpk= 909, nxpk= 10, iat= 978,1631, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   56 ASP  HB+          96 SER  HN          8.00    (#    910:10  Unique         5.70, 6.90 A)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 980, 981,
 &end
#
#    0 AMB  10-2:911     96 SER  HN          8.00    (#    911:10  Single Ambig)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1616, 543,
 &end
#
#   95 ILE  QD1          96 SER  HN          8.00    (#    912:10  Unique         5.00, 6.15 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1625,1626,1627,
 &end
#
#   31 ILE  QD1          96 SER  HN          8.00    (#    913:10  Unique         3.72, 5.67 A)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1631, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 552, 553, 554,
 &end
#
#   95 ILE  HG1+         98 VAL  HN          8.00    (#    915:10  Unique         4.32, 4.86 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1657, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1622,1623,
 &end
#
#   97 GLU  HA           99 TYR  HN          8.00    (#    916:10  Unique         4.04, 4.33 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1644,1673, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   95 ILE  HG1-         99 TYR  HN          8.00    (#    918:10  Unique         3.45, 4.35 A)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1622,1623,
 &end
#
#   95 ILE  HG1+         99 TYR  HN          8.00    (#    919:10  Unique         3.45, 4.35 A)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1622,1623,
 &end
#
#   95 ILE  QD1          99 TYR  HN          8.00    (#    920:10  Unique         4.23, 6.10 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1625,1626,1627,
 &end
#
#   31 ILE  QD1          99 TYR  HN          6.00    (#    921:10  Unique         4.02, 5.65 A)
 &rst
  ixpk= 921, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 552, 553, 554,
 &end
#
#   99 TYR  HB-         100 GLU  HN          6.00    (#    922:10  Unique         2.63, 3.51 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1677,1678,
 &end
#
#    0 AMB  10-2:923    100 GLU  HN          8.00    (#    923:10  Single Ambig)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1,1694, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1832,1833,1834,1836,1837,1838, 549, 550,
 &end
#
#   99 TYR  HN          101 SER  HN          8.00    (#    925:10  Unique         3.58, 3.83 A)
 &rst
  ixpk= 925, nxpk= 10, iat=1673,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  103 LYS  HN          101 SER  HN          8.00    (#    926:10  Unique         3.44, 3.63 A)
 &rst
  ixpk= 926, nxpk= 10, iat=1735,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  101 SER  HA          101 SER  HN          6.00    (#    927:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 927, nxpk= 10, iat=1711,1709, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   97 GLU  HA          101 SER  HN          8.00    (#    928:10  Unique         4.09, 4.26 A)
 &rst
  ixpk= 928, nxpk= 10, iat=1644,1709, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:930    101 SER  HN          8.00    (#    930:10  Single Ambig)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1709, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1727,1728,1724,1725,1649,1650,
 &end
#
#   98 VAL  MGX         101 SER  HN          8.00    (#    931:10  Unique         4.91, 5.98 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1709, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1663,1664,1665,1667,1668,1669,
 &end
#
#  101 SER  HA          102 GLU  HN          8.00    (#    932:10  Unique         3.39, 3.45 A)
 &rst
  ixpk= 932, nxpk= 10, iat=1711,1720, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   98 VAL  HA          102 GLU  HN          8.00    (#    933:10  Unique         3.18, 3.95 A)
 &rst
  ixpk= 933, nxpk= 10, iat=1659,1720, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:934    102 GLU  HN          6.00    (#    934:10  Single Ambig)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1720, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1698,1699,1698,1699,1661,
 &end
#
#  104 ASP  HN          103 LYS  HN          8.00    (#    935:10  Unique         4.58, 4.64 A)
 &rst
  ixpk= 935, nxpk= 10, iat=1757,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  101 SER  HN          103 LYS  HN          8.00    (#    937:10  Unique         3.44, 3.63 A)
 &rst
  ixpk= 937, nxpk= 10, iat=1709,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  102 GLU  HA          103 LYS  HN          8.00    (#    938:10  Unique         3.03, 3.05 A)
 &rst
  ixpk= 938, nxpk= 10, iat=1722,1735, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:940    103 LYS  HN          8.00    (#    940:10  Single Ambig)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1=1675,1713,1714,1713,1714,
 &end
#
#  103 LYS  HE-         103 LYS  HN          8.00    (#    941:10  Unique         4.24, 5.89 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1748,1749,
 &end
#
#    0 AMB  10-2:942    103 LYS  HN          8.00    (#    942:10  Single Ambig)
 &rst
  ixpk= 942, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1724,1725,1727,1728,1827,1828,
 &end
#
#  102 GLU  HB-         103 LYS  HN          8.00    (#    943:10  Unique         3.93, 4.18 A)
 &rst
  ixpk= 943, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1724,1725,
 &end
#
#    0 AMB  10-2:944    103 LYS  HN          4.50    (#    944:10  Single Ambig)
 &rst
  ixpk= 944, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1742,1743,1742,1743,
 &end
#
#  103 LYS  HD-         103 LYS  HN          8.00    (#    945:10  Unique         4.29, 5.08 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1745,1746,
 &end
#
#    0 AMB  10-2:946    104 ASP  HN          8.00    (#    946:10  Single Ambig)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1759,1825,
 &end
#
#   99 TYR  HA          104 ASP  HN          8.00    (#    948:10  Unique         5.46, 5.88 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1675,1757, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  103 LYS  HD+         104 ASP  HN          6.00    (#    949:10  Unique         1.93, 4.03 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1745,1746,
 &end
#
#  109 LEU  MDY         104 ASP  HN          8.00    (#    950:10  Unique         4.17, 6.84 A)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,1757, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#  105 GLU  HN          106 ASP  HN          8.00    (#    953:10  Unique         2.65, 2.93 A)
 &rst
  ixpk= 953, nxpk= 10, iat=1769,1784, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  104 ASP  HB+         106 ASP  HN          8.00    (#    954:10  Unique         2.26, 3.95 A)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#  106 ASP  HB-         106 ASP  HN          8.00    (#    955:10  Unique         2.06, 3.01 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1788,1789,
 &end
#
#    0 AMB  10-2:957    106 ASP  HN          8.00    (#    957:10  Single Ambig)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1776,1777,1776,1777,
 &end
#
#    0 AMB  10-2:958    106 ASP  HN          6.00    (#    958:10  Single Ambig)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1773,1774,1773,1774,
 &end
#
#  104 ASP  HB-         106 ASP  HN          8.00    (#    959:10  Unique         2.26, 3.95 A)
 &rst
  ixpk= 959, nxpk= 10, iat=  -1,1784, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#  108 PHE  HB+         107 GLY  HN          8.00    (#    961:10  Unique         4.09, 5.71 A)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1807,1808,
 &end
#
#  104 ASP  HB-         107 GLY  HN          8.00    (#    962:10  Unique         2.34, 3.63 A)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#    0 AMB  10-2:963    107 GLY  HN          8.00    (#    963:10  Single Ambig)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1773,1774,1773,1774,
 &end
#
#  108 PHE  HB+         108 PHE  HN          8.00    (#    965:10  Unique         2.07, 3.26 A)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1803, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1807,1808,
 &end
#
#  110 TYR  HD          109 LEU  HN          8.00    (#    967:10  Unique         4.81, 6.99 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1850,1859,
 &end
#
#    0 AMB  10-2:968    109 LEU  HN          8.00    (#    968:10  Single Ambig)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1811,1819,1681,1690,
 &end
#
#   33 VAL  HA          109 LEU  HN          6.00    (#    969:10  Unique         1.82, 2.43 A)
 &rst
  ixpk= 969, nxpk= 10, iat= 574,1823, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  109 LEU  HA          109 LEU  HN          8.00    (#    970:10  Unique         2.95, 2.96 A)
 &rst
  ixpk= 970, nxpk= 10, iat=1825,1823, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  108 PHE  HB+         109 LEU  HN          6.00    (#    971:10  Unique         1.88, 2.90 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1807,1808,
 &end
#
#  108 PHE  HB-         109 LEU  HN          8.00    (#    972:10  Unique         1.88, 2.90 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1,1823, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1807,1808,
 &end
#
#    0 AMB  10-2:974    110 TYR  HN          8.00    (#    974:10  Single Ambig)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,1842, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1827,1828,1830,
 &end
#
#  110 TYR  HN          111 MET  HN          8.00    (#    975:10  Unique         4.13, 4.36 A)
 &rst
  ixpk= 975, nxpk= 10, iat=1842,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  112 VAL  HN          111 MET  HN          8.00    (#    976:10  Unique         4.20, 4.37 A)
 &rst
  ixpk= 976, nxpk= 10, iat=1880,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   34 ILE  HN          111 MET  HN          8.00    (#    977:10  Unique         2.41, 3.11 A)
 &rst
  ixpk= 977, nxpk= 10, iat= 588,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   36 GLU  HN          111 MET  HN          8.00    (#    978:10  Unique         3.49, 4.31 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 626,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  110 TYR  HD          111 MET  HN          8.00    (#    979:10  Unique         3.02, 4.85 A)
 &rst
  ixpk= 979, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1850,1859,
 &end
#
#  110 TYR  HB+         111 MET  HN          8.00    (#    980:10  Unique         3.21, 4.15 A)
 &rst
  ixpk= 980, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1846,1847,
 &end
#
#  110 TYR  HB-         111 MET  HN          8.00    (#    981:10  Unique         3.21, 4.15 A)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1846,1847,
 &end
#
#  111 MET  ME          111 MET  HN          8.00    (#    982:10  Unique         5.07, 6.49 A)
 &rst
  ixpk= 982, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1874,1875,1876,
 &end
#
#   34 ILE  HB          111 MET  HN          8.00    (#    983:10  Unique         2.39, 2.99 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 592,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  109 LEU  MDY         111 MET  HN          8.00    (#    984:10  Unique         3.60, 6.63 A)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1832,1833,1834,1836,1837,1838,
 &end
#
#    0 AMB  10-2:985    111 MET  HN          6.00    (#    985:10  Single Ambig)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 578, 579, 580, 582, 583, 584, 578, 579, 580, 582,
       583, 584,
 &end
#
#    0 AMB  10-2:986    111 MET  HN          8.00    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3=10.46, r4=10.96,
 igr1= 613, 614, 615, 617, 618,
 &end
#
#   34 ILE  QG2         111 MET  HN          8.00    (#    987:10  Unique         2.98, 4.82 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,1863, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 594, 595, 596,
 &end
#
#  111 MET  HN          112 VAL  HN          8.00    (#    988:10  Unique         4.20, 4.37 A)
 &rst
  ixpk= 988, nxpk= 10, iat=1863,1880, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:990    112 VAL  HN          8.00    (#    990:10  Single Ambig)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 609,1844,1411,
 &end
#
#    0 AMB  10-2:991    112 VAL  HN          8.00    (#    991:10  Single Ambig)
 &rst
  ixpk= 991, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1870,1871,1870,1871,
 &end
#
#   82 LEU  HB+         112 VAL  HN          8.00    (#    992:10  Unique         3.59, 4.32 A)
 &rst
  ixpk= 992, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1432,1433,
 &end
#
#    0 AMB  10-2:993    112 VAL  HN          6.00    (#    993:10  Single Ambig)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1,1880, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 &end
#
#  113 TYR  HA          113 TYR  HN          6.00    (#    994:10  Unique         2.96, 2.96 A)
 &rst
  ixpk= 994, nxpk= 10, iat=1898,1896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  113 TYR  HB-         113 TYR  HN          8.00    (#    995:10  Unique         2.40, 2.87 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1900,1901,
 &end
#
#   35 ILE  HG1+        113 TYR  HN          8.00    (#    996:10  Unique         3.32, 4.70 A)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1,1896, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 617, 618,
 &end
#
#    0 AMB  10-2:997    114 ALA  HN          6.00    (#    997:10  Single Ambig)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1896,1409,
 &end
#
#   81 LEU  HA          114 ALA  HN          8.00    (#    999:10  Unique         3.03, 3.30 A)
 &rst
  ixpk= 999, nxpk= 10, iat=1411,1917, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1000   114 ALA  HN          8.00    (#   1000:10  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1371,1940,
 &end
#
#    0 AMB  10-2:1001   114 ALA  HN          8.00    (#   1001:10  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1886,1887,1888,1890,1891,1892,1886,1887,1888,1890,
      1891,1892,
 &end
#
#    0 AMB  10-2:1002   114 ALA  HN          8.00    (#   1002:10  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1418,1419,1420,1422,1423,1424,1418,1419,1420,1422,
      1423,1424,
 &end
#
#    0 AMB  10-2:1003   114 ALA  HN          8.00    (#   1003:10  Single Ambig)
 &rst
  ixpk= 1003, nxpk= 10, iat=  -1,1917, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#    0 AMB  10-2:1004   115 SER  HN          8.00    (#   1004:10  Single Ambig)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1389,1917,
 &end
#
#  115 SER  HB-         115 SER  HN          8.00    (#   1005:10  Unique         2.17, 3.11 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1931,1932,
 &end
#
#    0 AMB  10-2:1006   115 SER  HN          8.00    (#   1006:10  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 759, 760, 722, 723, 719, 720,
 &end
#
#  117 GLU  HN          116 GLN  HN          8.00    (#   1007:10  Unique         4.28, 4.39 A)
 &rst
  ixpk= 1007, nxpk= 10, iat=1955,1938, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  114 ALA  HA          116 GLN  HN          6.00    (#   1008:10  Unique         3.87, 4.21 A)
 &rst
  ixpk= 1008, nxpk= 10, iat=1919,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  116 GLN  HA          116 GLN  HN          6.00    (#   1009:10  Unique         2.89, 2.91 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=1940,1938, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  115 SER  HB+         116 GLN  HN          8.00    (#   1010:10  Unique         3.98, 4.40 A)
 &rst
  ixpk= 1010, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1931,1932,
 &end
#
#    0 AMB  10-2:1012   116 GLN  HN          8.00    (#   1012:10  Single Ambig)
 &rst
  ixpk= 1012, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1437,1438,1439,1441,1442,1443,1437,1438,1439,1441,
      1442,1443,
 &end
#
#  116 GLN  HG+         117 GLU  HN          8.00    (#   1013:10  Unique         2.76, 3.98 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1945,1946,
 &end
#
#  117 GLU  HG+         117 GLU  HN          6.00    (#   1014:10  Unique         2.25, 3.65 A)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,1955, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1962,1963,
 &end
#
#  118 THR  HB          120 GLY  HN          8.00    (#   1016:10  Unique         2.87, 5.32 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=1974,2004, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  118 THR  MG2         120 GLY  HN          8.00    (#   1017:10  Unique         2.62, 6.75 A)
 &rst
  ixpk= 1017, nxpk= 10, iat=  -1,2004, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1976,1977,1978,
 &end
#
#    0 AMB  10-2:1018    80 PHE  HN          8.00    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,1389, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1938,1399,1403,
 &end
#
#  113 TYR  HA           80 PHE  HN          8.00    (#   1019:10  Unique         4.69, 5.32 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=1898,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  104 ASP  HB+         105 GLU  HN          8.00    (#   1021:10  Unique         2.61, 3.58 A)
 &rst
  ixpk= 1021, nxpk= 10, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#   36 GLU  HA           37 ARG  HN          4.50    (#   1022:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 1022, nxpk= 10, iat= 628, 641, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   82 LEU  HN           83 VAL  HN          8.00    (#   1023:10  Unique         4.13, 4.44 A)
 &rst
  ixpk= 1023, nxpk= 10, iat=1428,1447, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1025    97 GLU  HN          8.00    (#   1025:10  Single Ambig)
 &rst
  ixpk= 1025, nxpk= 10, iat=  -1,1642, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1608,1586,
 &end
#
#   57 HIS  HA           58 VAL  HN          6.00    (#   1026:10  Unique         3.01, 3.38 A)
 &rst
  ixpk= 1026, nxpk= 10, iat= 990,1006, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  HB           58 VAL  HN          3.50    (#   1027:10  Unique         2.11, 2.25 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=1010,1006, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  10-2:1030    89 VAL  HN          6.00    (#   1030:10  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 10, iat=  -1,1530, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1959,1960,1413,1414,1435,
 &end
#
#   76 ASN  HN           77 GLN  HN          6.00    (#   1031:10  Unique         1.85, 2.54 A)
 &rst
  ixpk= 1031, nxpk= 10, iat=1328,1342, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 LYS  HN           66 ILE  HN          6.00    (#   1034:10  Unique         2.48, 2.87 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=1117,1139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ILE  HA           66 ILE  HN          6.00    (#   1035:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 1035, nxpk= 10, iat=1141,1139, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1036     0 AMB  10-1:1036   6.00    (#   1036:10  Double Ambig)
 &rst
  ixpk= 1036, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 343, 344, 345, 347, 348, 349,1152,1153,1154,1088,
      1089,1090,1092,1093,1094,
 igr2= 353,1139,
 &end
#
#   11 ARG  HA           11 ARG  HN          6.00    (#   1037:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 1037, nxpk= 10, iat= 182, 180, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HA           11 ARG  HN          8.00    (#   1038:10  Unique         3.12, 3.45 A)
 &rst
  ixpk= 1038, nxpk= 10, iat= 158, 180, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1039    11 ARG  HN          8.00    (#   1039:10  Single Ambig)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 190, 191, 190, 191,
 &end
#
#   10 ARG  HB+          11 ARG  HN          8.00    (#   1040:10  Unique         1.61, 3.03 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 160, 161,
 &end
#
#   10 ARG  HG+          11 ARG  HN          8.00    (#   1041:10  Unique         1.73, 2.48 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 163, 164,
 &end
#
#   11 ARG  HB+          11 ARG  HN          6.00    (#   1043:10  Unique         2.35, 3.15 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 184, 185,
 &end
#
#   11 ARG  HB-          11 ARG  HN          8.00    (#   1045:10  Unique         2.35, 3.15 A)
 &rst
  ixpk= 1045, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 184, 185,
 &end
#
#   94 PRO  HD+          93 THR  HN          8.00    (#   1046:10  Unique         4.58, 4.85 A)
 &rst
  ixpk= 1046, nxpk= 10, iat=  -1,1584, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1599,1600,
 &end
#
#  114 ALA  MB          116 GLN  HN          3.50    (#   1048:10  Unique         2.48, 3.19 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1921,1922,1923,
 &end
#
#  102 GLU  HA           84 ASN  HD2+        6.00    (#   1050:10  Unique         3.92, 5.67 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=1722,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1472,1473,
 &end
#
#   84 ASN  HB-          84 ASN  HD2+        6.00    (#   1051:10  Unique         2.15, 3.28 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1467,1468,
 igr2=1472,1473,
 &end
#
#    0 AMB  10-2:1052     0 AMB  10-1:1052   8.00    (#   1052:10  Double Ambig)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1724,1725,1727,1728,
 igr2=1472,1473,1472,1473,
 &end
#
#    0 AMB  10-2:1053     0 AMB  10-1:1053   6.00    (#   1053:10  Double Ambig)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1453,1454,1455,1457,1458,1459,1453,1454,1455,1457,
      1458,1459,
 igr2=1472,1473,1472,1473,
 &end
#
#   12 THR  HB           16 ARG  HE          8.00    (#   1054:10  Unique         6.87, 7.90 A)
 &rst
  ixpk= 1054, nxpk= 10, iat= 208, 283, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   16 ARG  HD+          16 ARG  HE          8.00    (#   1055:10  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 280, 281,
 &end
#
#   16 ARG  HD-          16 ARG  HE          8.00    (#   1056:10  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1056, nxpk= 10, iat=  -1, 283, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 280, 281,
 &end
#
#    0 AMB  10-2:1058    16 ARG  HE          8.00    (#   1058:10  Single Ambig)
 &rst
  ixpk= 1058, nxpk= 10, iat=  -1, 283, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 277, 278, 277, 278,
 &end
#
#   77 GLN  HA           77 GLN  HE2-        6.00    (#   1062:10  Unique         1.94, 4.31 A)
 &rst
  ixpk= 1062, nxpk= 10, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1354,1355,
 &end
#
#    0 AMB  10-2:1063    77 GLN  HE2-        8.00    (#   1063:10  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1346,1347, 792, 793,
 igr2=1354,1355,
 &end
#
#   78 ALA  MB           77 GLN  HE2-        8.00    (#   1065:10  Unique         3.85, 6.69 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1363,1364,1365,
 igr2=1354,1355,
 &end
#
#   44 LEU  MDY          77 GLN  HE2-        6.00    (#   1066:10  Unique         1.88, 5.64 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 778, 779, 780, 782, 783, 784,
 igr2=1354,1355,
 &end
#
#   73 LEU  MDY          77 GLN  HE2-        6.00    (#   1067:10  Unique         1.79, 5.71 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1354,1355,
 &end
#
#    0 AMB  10-2:1068   115 SER  HN          8.00    (#   1068:10  Single Ambig)
 &rst
  ixpk= 1068, nxpk= 10, iat=  -1,1927, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 776,1945,1946,
 &end
#
#   78 ALA  HN           77 GLN  HE2+        8.00    (#   1069:10  Unique         1.84, 4.20 A)
 &rst
  ixpk= 1069, nxpk= 10, iat=1359,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1354,1355,
 &end
#
#   77 GLN  HA           77 GLN  HE2+        8.00    (#   1070:10  Unique         1.94, 4.31 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=1344,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1354,1355,
 &end
#
#    0 AMB  10-2:1071     0 AMB  10-1:1071   8.00    (#   1071:10  Double Ambig)
 &rst
  ixpk= 1071, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.70, r4=13.20,
 igr1=1346,1347, 792, 793,
 igr2=1354,1355,1354,1355,
 &end
#
#    0 AMB  10-2:1072     0 AMB  10-1:1072   8.00    (#   1072:10  Double Ambig)
 &rst
  ixpk= 1072, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1346,1347, 776,
 igr2=1354,1355,1354,1355,
 &end
#
#   78 ALA  MB           77 GLN  HE2+        8.00    (#   1073:10  Unique         3.85, 6.69 A)
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1363,1364,1365,
 igr2=1354,1355,
 &end
#
#   73 LEU  MDY          77 GLN  HE2+        8.00    (#   1074:10  Unique         1.79, 5.71 A)
 &rst
  ixpk= 1074, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1=1294,1295,1296,1298,1299,1300,
 igr2=1354,1355,
 &end
#
#  114 ALA  HA          116 GLN  HE2+        6.00    (#   1076:10  Unique         3.91, 4.99 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1950,1951,
 &end
#
#  116 GLN  HB-         116 GLN  HE2+        8.00    (#   1077:10  Unique         2.02, 4.32 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1942,1943,
 igr2=1950,1951,
 &end
#
#    0 AMB  10-2:1079     0 AMB  10-1:1079   6.00    (#   1079:10  Double Ambig)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 759, 760, 722, 723,
 igr2= 764, 765, 764, 765,
 &end
#
#    6 THR  HB            9 GLN  HE2+        8.00    (#   1080:10  Unique         2.49, 7.96 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=  87,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2= 151, 152,
 &end
#
#    0 AMB  10-2:1081     0 AMB  10-1:1081   6.00    (#   1081:10  Double Ambig)
 &rst
  ixpk= 1081, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=   6, 208,
 igr2= 151, 152, 265, 266,
 &end
#
#   15 GLN  HG+          15 GLN  HE2+        8.00    (#   1082:10  Unique         2.15, 3.22 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 260, 261,
 igr2= 265, 266,
 &end
#
#    9 GLN  HB-           9 GLN  HE2+        8.00    (#   1083:10  Unique         1.90, 3.84 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 143, 144,
 igr2= 151, 152,
 &end
#
#   62 GLU  HG+          59 ASN  HD2+        8.00    (#   1084:10  Unique         3.97, 5.75 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1071,1072,
 igr2=1031,1032,
 &end
#
#   22 LEU  MDX          26 GLN  HE2+        8.00    (#   1087:10  Unique         2.25, 6.07 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 466, 467,
 &end
#
#   26 GLN  HB-          26 GLN  HE2+        8.00    (#   1088:10  Unique         1.95, 4.21 A)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 458, 459,
 igr2= 466, 467,
 &end
#
#   27 HIS  HA           29 THR  HN          8.00    (#   1090:10  Unique         3.03, 3.12 A)
 &rst
  ixpk= 1090, nxpk= 10, iat= 473, 503, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   20 VAL  MGY         107 GLY  HN          8.00    (#   1092:10  Unique         4.86, 7.33 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,1796, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 343, 344, 345, 347, 348, 349,
 &end
#
#   85 GLY  HA+          85 GLY  HN          6.00    (#   1093:10  Unique         2.43, 2.70 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,1477, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1479,1480,
 &end
#
#    4 GLU  HN            5 LYS  HN          8.00    (#   1094:10  Unique         1.97, 2.59 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=  46,  61, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    9 GLN  HN            6 THR  HN          8.00    (#   1098:10  Unique         3.66, 4.34 A)
 &rst
  ixpk= 1098, nxpk= 10, iat= 139,  83, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1100     7 PHE  HN          8.00    (#   1100:10  Single Ambig)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=   6, 628,
 &end
#
#    7 PHE  HB+           8 LYS  HN          8.00    (#   1101:10  Unique         3.23, 4.04 A)
 &rst
  ixpk= 1101, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 101, 102,
 &end
#
#    7 PHE  HD            8 LYS  HN          8.00    (#   1103:10  Unique         1.95, 4.15 A)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1, 117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 105, 113,
 &end
#
#   13 PHE  HD           14 GLU  HN          8.00    (#   1111:10  Unique         2.83, 4.83 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 226, 234,
 &end
#
#   12 THR  HA           14 GLU  HN          8.00    (#   1112:10  Unique         4.26, 4.56 A)
 &rst
  ixpk= 1112, nxpk= 10, iat= 206, 238, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   17 VAL  HN           16 ARG  HN          6.00    (#   1116:10  Unique         2.60, 2.92 A)
 &rst
  ixpk= 1116, nxpk= 10, iat= 294, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1117    16 ARG  HN          6.00    (#   1117:10  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 10, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 220, 255,
 &end
#
#    0 AMB  10-2:1119    17 VAL  HN          8.00    (#   1119:10  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 294, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 220, 255,
 &end
#
#   21 ARG  HN           20 VAL  HN          6.00    (#   1123:10  Unique         2.50, 2.62 A)
 &rst
  ixpk= 1123, nxpk= 10, iat= 353, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1125     0 AMB  10-1:1125   6.00    (#   1125:10  Double Ambig)
 &rst
  ixpk= 1125, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1158,1546,1053,1098,
 igr2=1139,1557,
 &end
#
#   19 ASP  HN           21 ARG  HN          6.00    (#   1127:10  Unique         3.74, 3.92 A)
 &rst
  ixpk= 1127, nxpk= 10, iat= 325, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 VAL  HN           21 ARG  HN          6.00    (#   1128:10  Unique         2.50, 2.62 A)
 &rst
  ixpk= 1128, nxpk= 10, iat= 337, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLU  HN           22 LEU  HN          8.00    (#   1129:10  Unique         4.50, 4.83 A)
 &rst
  ixpk= 1129, nxpk= 10, iat= 439, 377, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   21 ARG  HG-          22 LEU  HN          8.00    (#   1130:10  Unique         4.44, 4.60 A)
 &rst
  ixpk= 1130, nxpk= 10, iat=  -1, 377, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 360, 361,
 &end
#
#   24 ARG  HN           23 ILE  HN          6.00    (#   1131:10  Unique         2.33, 2.56 A)
 &rst
  ixpk= 1131, nxpk= 10, iat= 415, 396, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HB+          26 GLN  HN          4.50    (#   1133:10  Unique         2.40, 3.13 A)
 &rst
  ixpk= 1133, nxpk= 10, iat=  -1, 454, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 458, 459,
 &end
#
#    0 AMB  10-2:1134    33 VAL  HN          6.00    (#   1134:10  Single Ambig)
 &rst
  ixpk= 1134, nxpk= 10, iat=  -1, 572, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 565, 566, 543,
 &end
#
#   34 ILE  HG1+         34 ILE  HN          8.00    (#   1135:10  Unique         2.09, 3.33 A)
 &rst
  ixpk= 1135, nxpk= 10, iat=  -1, 588, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 598, 599,
 &end
#
#   52 PHE  HD           35 ILE  HN          8.00    (#   1136:10  Unique         2.52, 5.38 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 915, 923,
 &end
#
#   35 ILE  HB           35 ILE  HN          8.00    (#   1138:10  Unique         2.79, 3.14 A)
 &rst
  ixpk= 1138, nxpk= 10, iat= 611, 607, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   35 ILE  HG1-         35 ILE  HN          8.00    (#   1139:10  Unique         3.41, 4.39 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 617, 618,
 &end
#
#   35 ILE  QG2          35 ILE  HN          8.00    (#   1140:10  Unique         1.76, 2.76 A)
 &rst
  ixpk= 1140, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 613, 614, 615,
 &end
#
#   34 ILE  QG2          35 ILE  HN          8.00    (#   1141:10  Unique         2.25, 3.81 A)
 &rst
  ixpk= 1141, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 594, 595, 596,
 &end
#
#   35 ILE  QD1          35 ILE  HN          8.00    (#   1142:10  Unique         4.72, 5.54 A)
 &rst
  ixpk= 1142, nxpk= 10, iat=  -1, 607, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 620, 621, 622,
 &end
#
#   35 ILE  HN           36 GLU  HN          8.00    (#   1143:10  Unique         3.95, 4.21 A)
 &rst
  ixpk= 1143, nxpk= 10, iat= 607, 626, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   38 TYR  HN           37 ARG  HN          6.00    (#   1146:10  Unique         4.49, 4.61 A)
 &rst
  ixpk= 1146, nxpk= 10, iat= 665, 641, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1148    59 ASN  HN          8.00    (#   1148:10  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1,1022, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1064,1036,
 &end
#
#    0 AMB  10-2:1149    59 ASN  HN          8.00    (#   1149:10  Single Ambig)
 &rst
  ixpk= 1149, nxpk= 10, iat=  -1,1022, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1= 963, 964,1599,1600,
 &end
#
#   58 VAL  HB           59 ASN  HN          6.00    (#   1150:10  Unique         4.17, 4.28 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=1010,1022, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1152    38 TYR  HN          8.00    (#   1152:10  Single Ambig)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1, 665, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1= 740, 741, 740, 741, 690, 691,
 &end
#
#   44 LEU  HN           42 LYS  HN          8.00    (#   1154:10  Unique         5.05, 5.96 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 769, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   42 LYS  HA           42 LYS  HN          8.00    (#   1155:10  Unique         2.87, 2.96 A)
 &rst
  ixpk= 1155, nxpk= 10, iat= 732, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   43 GLN  HA           42 LYS  HN          8.00    (#   1156:10  Unique         4.20, 4.57 A)
 &rst
  ixpk= 1156, nxpk= 10, iat= 754, 730, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   41 GLU  HA           42 LYS  HN          6.00    (#   1157:10  Unique         2.13, 2.18 A)
 &rst
  ixpk= 1157, nxpk= 10, iat= 717, 730, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 LYS  HB+          42 LYS  HN          8.00    (#   1158:10  Unique         2.25, 2.99 A)
 &rst
  ixpk= 1158, nxpk= 10, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 734, 735,
 &end
#
#   42 LYS  HB-          42 LYS  HN          8.00    (#   1159:10  Unique         2.25, 2.99 A)
 &rst
  ixpk= 1159, nxpk= 10, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 734, 735,
 &end
#
#   42 LYS  HG+          42 LYS  HN          8.00    (#   1160:10  Unique         2.72, 3.83 A)
 &rst
  ixpk= 1160, nxpk= 10, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 737, 738,
 &end
#
#   42 LYS  HG-          42 LYS  HN          8.00    (#   1161:10  Unique         2.72, 3.83 A)
 &rst
  ixpk= 1161, nxpk= 10, iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 737, 738,
 &end
#
#  114 ALA  HA           43 GLN  HN          6.00    (#   1162:10  Unique         5.62, 6.04 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=1919, 752, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 PRO  HA           46 VAL  HN          4.50    (#   1164:10  Unique         2.17, 2.32 A)
 &rst
  ixpk= 1164, nxpk= 10, iat= 798, 802, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ARG  HN           25 GLU  HN          6.00    (#   1170:10  Unique         2.36, 2.48 A)
 &rst
  ixpk= 1170, nxpk= 10, iat= 415, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 GLN  HN           25 GLU  HN          6.00    (#   1171:10  Unique         2.33, 2.53 A)
 &rst
  ixpk= 1171, nxpk= 10, iat= 454, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ILE  HG1+         65 LYS  HN          8.00    (#   1175:10  Unique         4.35, 4.81 A)
 &rst
  ixpk= 1175, nxpk= 10, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1108,1109,
 &end
#
#   50 THR  HA           50 THR  HN          6.00    (#   1177:10  Unique         2.29, 2.75 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 873, 871, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1178    50 THR  HN          8.00    (#   1178:10  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 10, iat=  -1, 871, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=   6, 628,
 &end
#
#   49 LYS  HN           51 LYS  HN          8.00    (#   1179:10  Unique         4.18, 4.95 A)
 &rst
  ixpk= 1179, nxpk= 10, iat= 849, 885, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   53 LEU  HN           54 VAL  HN          8.00    (#   1181:10  Unique         3.62, 4.40 A)
 &rst
  ixpk= 1181, nxpk= 10, iat= 927, 946, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   54 VAL  HB           54 VAL  HN          4.50    (#   1182:10  Unique         2.20, 2.56 A)
 &rst
  ixpk= 1182, nxpk= 10, iat= 950, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   31 ILE  HN           56 ASP  HN          8.00    (#   1183:10  Unique         1.77, 2.83 A)
 &rst
  ixpk= 1183, nxpk= 10, iat= 539, 976, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   58 VAL  HN           57 HIS  HN          6.00    (#   1185:10  Unique         1.81, 1.87 A)
 &rst
  ixpk= 1185, nxpk= 10, iat=1006, 988, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   99 TYR  HN           97 GLU  HN          8.00    (#   1187:10  Unique         4.03, 4.25 A)
 &rst
  ixpk= 1187, nxpk= 10, iat=1673,1642, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1188    58 VAL  HN          6.00    (#   1188:10  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1,1006, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 990, 948,
 &end
#
#   61 SER  HN           60 MET  HN          6.00    (#   1189:10  Unique         2.55, 2.79 A)
 &rst
  ixpk= 1189, nxpk= 10, iat=1053,1036, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1190    60 MET  HN          8.00    (#   1190:10  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1614,1066,
 &end
#
#   59 ASN  HB-          60 MET  HN          6.00    (#   1191:10  Unique         1.91, 2.76 A)
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1026,1027,
 &end
#
#   63 LEU  MDX          60 MET  HN          8.00    (#   1192:10  Unique         3.70, 5.89 A)
 &rst
  ixpk= 1192, nxpk= 10, iat=  -1,1036, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1088,1089,1090,1092,1093,1094,
 &end
#
#    0 AMB  10-2:1193    61 SER  HN          6.00    (#   1193:10  Single Ambig)
 &rst
  ixpk= 1193, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1036,1064,1557,
 &end
#
#   59 ASN  HB-          61 SER  HN          8.00    (#   1195:10  Unique         2.82, 3.77 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1026,1027,
 &end
#
#   59 ASN  HN           62 GLU  HN          8.00    (#   1196:10  Unique         3.45, 3.77 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=1022,1064, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1197    62 GLU  HN          8.00    (#   1197:10  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1038,1608,
 &end
#
#    0 AMB  10-2:1198    62 GLU  HN          6.00    (#   1198:10  Single Ambig)
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1,1064, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1057,1058,1057,1058,
 &end
#
#   62 GLU  HN           63 LEU  HN          6.00    (#   1200:10  Unique         2.59, 2.99 A)
 &rst
  ixpk= 1200, nxpk= 10, iat=1064,1079, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  10-2:1202     0 AMB  10-1:1202   3.50    (#   1202:10  Double Ambig)
 &rst
  ixpk= 1202, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1079,1225,
 igr2=1098,1177,
 &end
#
#   66 ILE  HN            0 AMB  10-1:1203   6.00    (#   1203:10  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 10, iat=1139,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1098,1177,
 &end
#
#    0 AMB  10-2:1204     0 AMB  10-1:1204   6.00    (#   1204:10  Double Ambig)
 &rst
  ixpk= 1204, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1083,1084,1168,1169,
 igr2=1098,1177,
 &end
#
#   68 ARG  HE           65 LYS  HN          8.00    (#   1205:10  Unique         5.45, 7.20 A)
 &rst
  ixpk= 1205, nxpk= 10, iat=1190,1117, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1206     0 AMB  10-1:1206   3.50    (#   1206:10  Double Ambig)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.14, r4= 5.64,
 igr1=1121,1122,  28,  29,1102,
 igr2=1117, 849,
 &end
#
#   65 LYS  HG+          65 LYS  HN          6.00    (#   1207:10  Unique         2.42, 3.43 A)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1,1117, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1124,1125,
 &end
#
#    0 AMB  10-2:1208     0 AMB  10-1:1208   6.00    (#   1208:10  Double Ambig)
 &rst
  ixpk= 1208, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 808, 809, 810, 812, 813, 814,1104,1105,1106,
 igr2= 849,1117,
 &end
#
#   65 LYS  HA           66 ILE  HN          8.00    (#   1209:10  Unique         3.52, 3.57 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=1119,1139, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1210    66 ILE  HN          8.00    (#   1210:10  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1,1139, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1181,1182,1181,1182,1208,1209,
 &end
#
#   65 LYS  HG-          66 ILE  HN          8.00    (#   1211:10  Unique         1.90, 4.48 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1,1139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1124,1125,
 &end
#
#    0 AMB  10-2:1212     0 AMB  10-1:1212   8.00    (#   1212:10  Double Ambig)
 &rst
  ixpk= 1212, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.94, r4=14.44,
 igr1= 300, 301, 302, 304, 305, 306,2212,2213,2214,2216,
      2217,2218,1184,1185,
 igr2= 353,1139,
 &end
#
#    0 AMB  10-2:1213    67 ILE  HN          6.00    (#   1213:10  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 10, iat=  -1,1158, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1225,1079,
 &end
#
#   66 ILE  HN           67 ILE  HN          6.00    (#   1214:10  Unique         2.51, 2.80 A)
 &rst
  ixpk= 1214, nxpk= 10, iat=1139,1158, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ILE  HA            0 AMB  10-1:1216   6.00    (#   1216:10  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 10, iat=1100,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1098,1177,
 &end
#
#    0 AMB  10-2:1217     0 AMB  10-1:1217   4.50    (#   1217:10  Double Ambig)
 &rst
  ixpk= 1217, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 471,1225,
 igr2= 454,1201,
 &end
#
#   69 ARG  HA           69 ARG  HN          6.00    (#   1219:10  Unique         2.82, 2.90 A)
 &rst
  ixpk= 1219, nxpk= 10, iat=1203,1201, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 LEU  HG           69 ARG  HN          8.00    (#   1220:10  Unique         5.05, 5.60 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=1256,1201, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   68 ARG  HG+          69 ARG  HN          8.00    (#   1221:10  Unique         2.85, 4.18 A)
 &rst
  ixpk= 1221, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1184,1185,
 &end
#
#   73 LEU  HN           70 ARG  HN          8.00    (#   1222:10  Unique         5.85, 6.90 A)
 &rst
  ixpk= 1222, nxpk= 10, iat=1285,1225, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   73 LEU  HN           72 GLN  HN          4.50    (#   1225:10  Unique         2.27, 3.67 A)
 &rst
  ixpk= 1225, nxpk= 10, iat=1285,1268, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   74 ASN  HN           73 LEU  HN          8.00    (#   1226:10  Unique         1.94, 3.48 A)
 &rst
  ixpk= 1226, nxpk= 10, iat=1304,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   72 GLN  HN           73 LEU  HN          6.00    (#   1227:10  Unique         2.27, 3.67 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=1268,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ARG  HN           73 LEU  HN          8.00    (#   1228:10  Unique         5.93, 6.89 A)
 &rst
  ixpk= 1228, nxpk= 10, iat=1201,1285, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   73 LEU  HA           73 LEU  HN          6.00    (#   1229:10  Unique         2.59, 2.88 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=1287,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 LEU  HG           73 LEU  HN          6.00    (#   1230:10  Unique         1.81, 2.78 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=1292,1285, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 LEU  HB+          73 LEU  HN          6.00    (#   1231:10  Unique         3.00, 4.91 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1253,1254,
 &end
#
#    0 AMB  10-2:1232    73 LEU  HN          4.50    (#   1232:10  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1289,1290,1253,1254,1184,1185,
 &end
#
#   73 LEU  MDY          73 LEU  HN          6.00    (#   1233:10  Unique         1.62, 4.32 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   73 LEU  MDX          73 LEU  HN          6.00    (#   1234:10  Unique         1.62, 4.32 A)
 &rst
  ixpk= 1234, nxpk= 10, iat=  -1,1285, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#    0 AMB  10-2:1235    76 ASN  HN          6.00    (#   1235:10  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 10, iat=  -1,1328, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1342,1337,1338,
 &end
#
#   74 ASN  HN           77 GLN  HN          8.00    (#   1236:10  Unique         3.15, 4.17 A)
 &rst
  ixpk= 1236, nxpk= 10, iat=1304,1342, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   73 LEU  MDX          77 GLN  HN          8.00    (#   1238:10  Unique         5.29, 7.63 A)
 &rst
  ixpk= 1238, nxpk= 10, iat=  -1,1342, r1= 1.30, r2= 1.80, r3=10.78, r4=11.28,
 igr1=1294,1295,1296,1298,1299,1300,
 &end
#
#   74 ASN  HN           78 ALA  HN          8.00    (#   1239:10  Unique         5.82, 6.62 A)
 &rst
  ixpk= 1239, nxpk= 10, iat=1304,1359, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   77 GLN  HE2+         78 ALA  HN          8.00    (#   1240:10  Unique         1.84, 4.20 A)
 &rst
  ixpk= 1240, nxpk= 10, iat=  -1,1359, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1354,1355,
 &end
#
#   79 PHE  HE           79 PHE  HN          8.00    (#   1242:10  Unique         4.35, 6.57 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1,1369, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1379,1383,
 &end
#
#   81 LEU  HN           80 PHE  HN          8.00    (#   1244:10  Unique         3.88, 4.23 A)
 &rst
  ixpk= 1244, nxpk= 10, iat=1409,1389, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    0 AMB  10-2:1245    81 LEU  HN          8.00    (#   1245:10  Single Ambig)
 &rst
  ixpk= 1245, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1389,1917,
 &end
#
#    0 AMB  10-2:1246    81 LEU  HN          8.00    (#   1246:10  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1397,1405,1377,1385,
 &end
#
#   81 LEU  HA           81 LEU  HN          6.00    (#   1247:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1247, nxpk= 10, iat=1411,1409, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   80 PHE  HB+          81 LEU  HN          8.00    (#   1248:10  Unique         2.57, 3.75 A)
 &rst
  ixpk= 1248, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1393,1394,
 &end
#
#   80 PHE  HB-          81 LEU  HN          8.00    (#   1249:10  Unique         2.57, 3.75 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1393,1394,
 &end
#
#   64 ILE  HG1+         81 LEU  HN          6.00    (#   1250:10  Unique         3.27, 4.72 A)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1,1409, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1108,1109,
 &end
#
#   82 LEU  HB+          83 VAL  HN          6.00    (#   1255:10  Unique         3.05, 3.73 A)
 &rst
  ixpk= 1255, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1432,1433,
 &end
#
#    0 AMB  10-2:1256    83 VAL  HN          8.00    (#   1256:10  Single Ambig)
 &rst
  ixpk= 1256, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1435,1413,1414,
 &end
#
#    0 AMB  10-2:1257    83 VAL  HN          6.00    (#   1257:10  Single Ambig)
 &rst
  ixpk= 1257, nxpk= 10, iat=  -1,1447, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1886,1887,1888,1890,1891,1892,1663,1664,1665,1667,
      1668,1669,
 &end
#
#   84 ASN  HN           85 GLY  HN          8.00    (#   1258:10  Unique         2.39, 2.51 A)
 &rst
  ixpk= 1258, nxpk= 10, iat=1463,1477, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   82 LEU  HA           87 SER  HN          6.00    (#   1259:10  Unique         3.29, 3.60 A)
 &rst
  ixpk= 1259, nxpk= 10, iat=1430,1502, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 HIS  HB+          87 SER  HN          6.00    (#   1261:10  Unique         3.24, 4.03 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1488,1489,
 &end
#
#    0 AMB  10-2:1262    87 SER  HN          6.00    (#   1262:10  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 10, iat=  -1,1502, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1957,1488,1489,
 &end
#
#   88 MET  HB-          88 MET  HN          6.00    (#   1264:10  Unique         2.20, 2.91 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1517,1518,
 &end
#
#  111 MET  ME           88 MET  HN          8.00    (#   1266:10  Unique         5.73, 7.60 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=  -1,1513, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1874,1875,1876,
 &end
#
#    0 AMB  10-2:1271     0 AMB  10-1:1271   4.50    (#   1271:10  Double Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1158,1546,1098,
 igr2=1139,1557,
 &end
#
#    0 AMB  10-2:1273    92 SER  HN          8.00    (#   1273:10  Single Ambig)
 &rst
  ixpk= 1273, nxpk= 10, iat=  -1,1573, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1=1561,1040,1041,
 &end
#
#   97 GLU  HN           98 VAL  HN          4.50    (#   1276:10  Unique         2.74, 2.84 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=1642,1657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  10-2:1281    99 TYR  HN          8.00    (#   1281:10  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1616, 543,
 &end
#
#  101 SER  HN          100 GLU  HN          4.50    (#   1284:10  Unique         2.22, 2.39 A)
 &rst
  ixpk= 1284, nxpk= 10, iat=1709,1694, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   99 TYR  HD          103 LYS  HN          8.00    (#   1288:10  Unique         4.31, 6.00 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=  -1,1735, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1681,1690,
 &end
#
#  105 GLU  HN          104 ASP  HN          8.00    (#   1290:10  Unique         4.51, 4.52 A)
 &rst
  ixpk= 1290, nxpk= 10, iat=1769,1757, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#  104 ASP  HN          105 GLU  HN          6.00    (#   1292:10  Unique         4.51, 4.52 A)
 &rst
  ixpk= 1292, nxpk= 10, iat=1757,1769, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  104 ASP  HB-         105 GLU  HN          8.00    (#   1294:10  Unique         2.61, 3.58 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1769, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1761,1762,
 &end
#
#   52 PHE  HN          111 MET  HN          8.00    (#   1305:10  Unique         6.08, 6.77 A)
 &rst
  ixpk= 1305, nxpk= 10, iat= 907,1863, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   83 VAL  HA          112 VAL  HN          8.00    (#   1307:10  Unique         2.85, 3.27 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=1449,1880, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   80 PHE  HD          116 GLN  HN          6.00    (#   1316:10  Unique         2.92, 4.66 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,1938, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1397,1405,
 &end
#
#  116 GLN  HE2-        120 GLY  HN          8.00    (#   1326:10  Unique         4.17, 7.62 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=  -1,2004, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1=1950,1951,
 &end
#
#    9 GLN  HE2+          9 GLN  HN          8.00    (#   1328:10  Unique         2.56, 5.58 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1, 139, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 151, 152,
 &end
#
#    0 AMB  10-2:1329    10 ARG  HN          6.00    (#   1329:10  Single Ambig)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 180, 139,
 &end
#
#   10 ARG  HA           10 ARG  HN          8.00    (#   1330:10  Unique         2.82, 2.92 A)
 &rst
  ixpk= 1330, nxpk= 10, iat= 158, 156, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#    9 GLN  HB+          10 ARG  HN          8.00    (#   1331:10  Unique         2.46, 3.55 A)
 &rst
  ixpk= 1331, nxpk= 10, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 143, 144,
 &end
#
#   10 ARG  HB+          10 ARG  HN          8.00    (#   1332:10  Unique         2.65, 3.42 A)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 160, 161,
 &end
#
#   10 ARG  HG+          10 ARG  HN          6.00    (#   1333:10  Unique         1.74, 2.51 A)
 &rst
  ixpk= 1333, nxpk= 10, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 163, 164,
 &end
#
#   10 ARG  HG-          10 ARG  HN          8.00    (#   1335:10  Unique         1.74, 2.51 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1, 156, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 163, 164,
 &end
#
#    7 PHE  HD           11 ARG  HN          8.00    (#   1336:10  Unique         2.92, 5.92 A)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1, 180, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr1= 105, 113,
 &end
#
#   15 GLN  HG+          15 GLN  HN          6.00    (#   1337:10  Unique         2.21, 3.00 A)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 260, 261,
 &end
#
#    0 AMB  10-2:1340    90 SER  HN          6.00    (#   1340:10  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1550,1551,1532,
 &end
#
#    0 AMB  10-2:1342    90 SER  HN          6.00    (#   1342:10  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 10, iat=  -1,1546, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1536,1537,1538,1540,1541,1542,1536,1537,1538,1540,
      1541,1542,
 &end
#
#   31 ILE  QD1          31 ILE  HN          6.00    (#   1344:10  Unique         3.89, 5.09 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1, 539, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 552, 553, 554,
 &end
#
#   43 GLN  HB-          44 LEU  HN          6.00    (#   1345:10  Unique         1.88, 2.72 A)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1, 769, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 756, 757,
 &end
#
#    0 AMB  10-2:1346    43 GLN  HN          4.50    (#   1346:10  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1, 752, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 722, 723, 756, 757,
 &end
#
#   69 ARG  HB-          69 ARG  HN          4.50    (#   1347:10  Unique         2.10, 2.67 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1201, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1205,1206,
 &end
#
#    0 AMB  10-2:1348    61 SER  HN          8.00    (#   1348:10  Single Ambig)
 &rst
  ixpk= 1348, nxpk= 10, iat=  -1,1053, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1102,1047,1048,1049,
 &end
#
#    0 AMB  10-2:1349    74 ASN  HD2-        8.00    (#   1349:10  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.31, r4=11.81,
 igr1=1308,1309,1332,1333,
 igr2=1313,1314,
 &end
#
#  106 ASP  HN          107 GLY  HN          6.00    (#   1351:10  Unique         2.05, 2.53 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=1784,1796, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 ILE  QG2          99 TYR  HN          8.00    (#   1354:10  Unique         3.69, 5.23 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1673, r1= 1.30, r2= 1.80, r3= 9.61, r4=10.11,
 igr1= 545, 546, 547,
 &end
#
#    0 AMB  10-2:1356    12 THR  HN          6.00    (#   1356:10  Single Ambig)
 &rst
  ixpk= 1356, nxpk= 10, iat=  -1, 204, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 210, 211, 212, 184, 185,
 &end
#
#   11 ARG  HA           12 THR  HN          8.00    (#   1357:10  Unique         2.13, 2.15 A)
 &rst
  ixpk= 1357, nxpk= 10, iat= 182, 204, r1= 1.30, r2= 1.80, r3= 8.00, r4= 8.50,  &end
#
#   59 ASN  HB+          59 ASN  HD2-        8.00    (#   1361:10  Unique         2.15, 3.30 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1026,1027,
 igr2=1031,1032,
 &end
#
#    0 AMB  10-2:1362     0 AMB  10-1:1362   6.00    (#   1362:10  Double Ambig)
 &rst
  ixpk= 1362, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1026,1027,  11,  12,
 igr2=1031,1032, 151, 152,
 &end
#
#   74 ASN  HN           74 ASN  HD2+        8.00    (#   1363:10  Unique         2.75, 4.95 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1313,1314,
 &end
#
#   74 ASN  HN           74 ASN  HD2-        8.00    (#   1364:10  Unique         2.75, 4.95 A)
 &rst
  ixpk= 1364, nxpk= 10, iat=1304,  -1, r1= 1.30, r2= 1.80, r3= 8.98, r4= 9.48,
 igr2=1313,1314,
 &end
#
#  114 ALA  HA          116 GLN  HE2-        4.50    (#   1366:10  Unique         3.91, 4.99 A)
 &rst
  ixpk= 1366, nxpk= 10, iat=1919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1950,1951,
 &end
#
#    0 AMB  10-2:1367    76 ASN  HD2-        6.00    (#   1367:10  Single Ambig)
 &rst
  ixpk= 1367, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1308,1309,1332,1333,1332,1333,
 igr2=1337,1338,
 &end
#
#    1 MET  HA            9 GLN  HE2-        6.00    (#   1370:10  Unique         4.42, 6.33 A)
 &rst
  ixpk= 1370, nxpk= 10, iat=   6,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 151, 152,
 &end
#
#   26 GLN  HG-          26 GLN  HE2-        6.00    (#   1374:10  Unique         2.16, 3.22 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 461, 462,
 igr2= 466, 467,
 &end
#
#   22 LEU  MDY          26 GLN  HE2-        8.00    (#   1375:10  Unique         2.25, 6.07 A)
 &rst
  ixpk= 1375, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.10, r4=12.60,
 igr1= 386, 387, 388, 390, 391, 392,
 igr2= 466, 467,
 &end
#
#  116 GLN  HG-         116 GLN  HE2-        6.00    (#   1385:10  Unique         2.15, 3.27 A)
 &rst
  ixpk= 1385, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1945,1946,
 igr2=1950,1951,
 &end
#
#  116 GLN  HB-         116 GLN  HE2-        8.00    (#   1386:10  Unique         2.02, 4.32 A)
 &rst
  ixpk= 1386, nxpk= 10, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.08, r4=10.58,
 igr1=1942,1943,
 igr2=1950,1951,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -9.676   2.368   8.614
    2    H2   MET   1           H2       MET   1  -8.725   3.434   7.841
    3    H3   MET   1           H3       MET   1 -10.253   3.866   8.160
    4    HA   MET   1           HA       MET   1 -10.077   3.404   5.893
    5    HB2  MET   1           HB2      MET   1  -9.504   0.469   6.440
    6    HB3  MET   1           HB3      MET   1  -9.469   1.356   4.911
    7    HG2  MET   1           HG2      MET   1  -7.536   2.732   6.034
    8    HG3  MET   1           HG3      MET   1  -7.454   1.371   7.156
    9    HE1  MET   1           HE1      MET   1  -4.354   0.548   5.119
   10    HE2  MET   1           HE2      MET   1  -4.920   2.047   5.877
   11    HE3  MET   1           HE3      MET   1  -5.123   0.492   6.723
   12    HA   PRO   2           HA       PRO   2 -13.801   0.494   6.809
   13    HB2  PRO   2           HB2      PRO   2 -14.078   1.107   9.767
   14    HB3  PRO   2           HB3      PRO   2 -14.607  -0.346   8.865
   15    HG2  PRO   2           HG2      PRO   2 -12.323  -0.429  10.278
   16    HG3  PRO   2           HG3      PRO   2 -12.332  -1.090   8.608
   17    HD2  PRO   2           HD2      PRO   2 -11.386   1.628   9.564
   18    HD3  PRO   2           HD3      PRO   2 -10.583   0.472   8.458
   19    H    SER   3           H        SER   3 -13.384   3.707   8.301
   20    HA   SER   3           HA       SER   3 -16.200   4.438   7.793
   21    HB2  SER   3           HB2      SER   3 -15.547   6.586   8.784
   22    HB3  SER   3           HB3      SER   3 -15.170   5.201   9.828
   23    HG   SER   3           HG       SER   3 -13.433   6.710   9.726
   24    H    GLU   4           H        GLU   4 -13.033   4.958   6.301
   25    HA   GLU   4           HA       GLU   4 -13.873   6.986   4.427
   26    HB2  GLU   4           HB2      GLU   4 -11.440   5.137   4.400
   27    HB3  GLU   4           HB3      GLU   4 -11.686   6.555   3.405
   28    HG2  GLU   4           HG2      GLU   4 -10.378   7.469   5.004
   29    HG3  GLU   4           HG3      GLU   4 -11.965   7.891   5.618
   30    H    LYS   5           H        LYS   5 -13.288   6.579   2.009
   31    HA   LYS   5           HA       LYS   5 -15.148   4.687   0.802
   32    HB2  LYS   5           HB2      LYS   5 -12.920   6.356  -0.459
   33    HB3  LYS   5           HB3      LYS   5 -14.233   5.564  -1.321
   34    HG2  LYS   5           HG2      LYS   5 -14.505   7.903   0.604
   35    HG3  LYS   5           HG3      LYS   5 -14.627   7.936  -1.154
   36    HD2  LYS   5           HD2      LYS   5 -16.651   6.458  -1.032
   37    HD3  LYS   5           HD3      LYS   5 -16.530   6.475   0.735
   38    HE2  LYS   5           HE2      LYS   5 -18.210   8.044   0.143
   39    HE3  LYS   5           HE3      LYS   5 -16.818   8.946   0.738
   40    HZ1  LYS   5           HZ1      LYS   5 -16.240   9.470  -1.586
   41    HZ2  LYS   5           HZ2      LYS   5 -17.490   8.575  -2.147
   42    HZ3  LYS   5           HZ3      LYS   5 -17.773   9.928  -1.297
   43    H    THR   6           H        THR   6 -14.277   3.344  -1.138
   44    HA   THR   6           HA       THR   6 -13.199   1.073  -0.298
   45    HB   THR   6           HB       THR   6 -12.520   1.748  -3.113
   46    HG1  THR   6           HG1      THR   6 -14.687   1.724  -3.669
   47   HG21  THR   6          HG21      THR   6 -12.375  -0.603  -2.336
   48   HG22  THR   6          HG22      THR   6 -14.075  -0.530  -1.810
   49   HG23  THR   6          HG23      THR   6 -13.661  -0.410  -3.534
   50    H    PHE   7           H        PHE   7 -11.387  -0.064  -0.034
   51    HA   PHE   7           HA       PHE   7  -9.333   0.990   1.206
   52    HB2  PHE   7           HB2      PHE   7  -9.786  -1.304   1.275
   53    HB3  PHE   7           HB3      PHE   7  -9.426  -1.516  -0.422
   54    HD1  PHE   7           HD1      PHE   7  -7.745  -3.148  -0.503
   55    HD2  PHE   7           HD2      PHE   7  -7.349   0.153   2.241
   56    HE1  PHE   7           HE1      PHE   7  -5.521  -3.980   0.197
   57    HE2  PHE   7           HE2      PHE   7  -5.123  -0.668   2.920
   58    HZ   PHE   7           HZ       PHE   7  -4.208  -2.763   1.909
   59    H    LYS   8           H        LYS   8  -8.978   0.757  -2.359
   60    HA   LYS   8           HA       LYS   8  -6.210   1.493  -2.461
   61    HB2  LYS   8           HB2      LYS   8  -7.515   0.554  -4.344
   62    HB3  LYS   8           HB3      LYS   8  -8.460   2.046  -4.458
   63    HG2  LYS   8           HG2      LYS   8  -6.458   3.320  -5.096
   64    HG3  LYS   8           HG3      LYS   8  -5.430   1.901  -4.810
   65    HD2  LYS   8           HD2      LYS   8  -6.561   0.709  -6.658
   66    HD3  LYS   8           HD3      LYS   8  -7.622   2.114  -6.922
   67    HE2  LYS   8           HE2      LYS   8  -5.633   3.527  -7.391
   68    HE3  LYS   8           HE3      LYS   8  -4.574   2.142  -7.133
   69    HZ1  LYS   8           HZ1      LYS   8  -6.638   2.340  -9.282
   70    HZ2  LYS   8           HZ2      LYS   8  -5.033   2.484  -9.506
   71    HZ3  LYS   8           HZ3      LYS   8  -5.657   1.047  -9.050
   72    H    GLN   9           H        GLN   9  -9.015   3.540  -1.892
   73    HA   GLN   9           HA       GLN   9  -7.763   6.101  -2.250
   74    HB2  GLN   9           HB2      GLN   9 -10.161   5.721  -2.158
   75    HB3  GLN   9           HB3      GLN   9 -10.079   5.182  -0.487
   76    HG2  GLN   9           HG2      GLN   9  -9.054   7.954  -1.107
   77    HG3  GLN   9           HG3      GLN   9 -10.785   7.664  -1.230
   78   HE21  GLN   9          HE21      GLN   9 -10.868   8.491   2.240
   79   HE22  GLN   9          HE22      GLN   9 -11.286   9.053   0.622
   80    H    ARG  10           H        ARG  10  -7.583   3.736   0.358
   81    HA   ARG  10           HA       ARG  10  -6.093   5.564   2.163
   82    HB2  ARG  10           HB2      ARG  10  -6.990   2.670   2.464
   83    HB3  ARG  10           HB3      ARG  10  -6.070   3.545   3.681
   84    HG2  ARG  10           HG2      ARG  10  -8.812   4.479   2.696
   85    HG3  ARG  10           HG3      ARG  10  -8.581   3.387   4.035
   86    HD2  ARG  10           HD2      ARG  10  -8.800   5.466   5.082
   87    HD3  ARG  10           HD3      ARG  10  -7.061   5.151   5.104
   88    HE   ARG  10           HE       ARG  10  -8.239   6.738   2.866
   89   HH11  ARG  10          HH11      ARG  10  -6.474   7.021   5.905
   90   HH12  ARG  10          HH12      ARG  10  -5.811   8.564   5.461
   91   HH21  ARG  10          HH21      ARG  10  -7.301   8.655   2.358
   92   HH22  ARG  10          HH22      ARG  10  -6.318   9.495   3.522
   93    H    ARG  11           H        ARG  11  -5.373   2.448   0.457
   94    HA   ARG  11           HA       ARG  11  -2.504   3.239   0.539
   95    HB2  ARG  11           HB2      ARG  11  -3.299   2.038   2.678
   96    HB3  ARG  11           HB3      ARG  11  -3.404   0.572   1.712
   97    HG2  ARG  11           HG2      ARG  11  -1.045   0.552   1.297
   98    HG3  ARG  11           HG3      ARG  11  -0.881   2.257   1.758
   99    HD2  ARG  11           HD2      ARG  11  -1.590   0.041   3.684
  100    HD3  ARG  11           HD3      ARG  11   0.047   0.678   3.453
  101    HE   ARG  11           HE       ARG  11  -1.172   2.977   4.014
  102   HH11  ARG  11          HH11      ARG  11  -2.132   0.780   7.181
  103   HH12  ARG  11          HH12      ARG  11  -1.229   0.010   5.862
  104   HH21  ARG  11          HH21      ARG  11  -2.160   3.887   5.831
  105   HH22  ARG  11          HH22      ARG  11  -2.599   2.828   7.158
  106    H    THR  12           H        THR  12  -1.329   2.677  -1.095
  107    HA   THR  12           HA       THR  12  -2.409   0.948  -3.232
  108    HB   THR  12           HB       THR  12  -1.005   1.944  -4.745
  109    HG1  THR  12           HG1      THR  12   0.817   3.143  -4.171
  110   HG21  THR  12          HG21      THR  12  -1.465   4.241  -2.795
  111   HG22  THR  12          HG22      THR  12  -1.274   4.327  -4.556
  112   HG23  THR  12          HG23      THR  12  -2.716   3.563  -3.866
  113    H    PHE  13           H        PHE  13  -0.879  -0.462  -4.525
  114    HA   PHE  13           HA       PHE  13  -0.133  -2.626  -3.026
  115    HB2  PHE  13           HB2      PHE  13  -0.571  -3.048  -5.210
  116    HB3  PHE  13           HB3      PHE  13   0.500  -1.793  -5.801
  117    HD1  PHE  13           HD1      PHE  13   0.297  -5.337  -4.867
  118    HD2  PHE  13           HD2      PHE  13   2.946  -2.107  -5.957
  119    HE1  PHE  13           HE1      PHE  13   2.082  -6.980  -5.451
  120    HE2  PHE  13           HE2      PHE  13   4.719  -3.742  -6.502
  121    HZ   PHE  13           HZ       PHE  13   4.286  -6.177  -6.256
  122    H    GLU  14           H        GLU  14   2.385  -0.297  -4.117
  123    HA   GLU  14           HA       GLU  14   4.518  -1.703  -2.792
  124    HB2  GLU  14           HB2      GLU  14   4.830  -0.106  -4.606
  125    HB3  GLU  14           HB3      GLU  14   4.251   1.221  -3.581
  126    HG2  GLU  14           HG2      GLU  14   6.164   0.935  -2.066
  127    HG3  GLU  14           HG3      GLU  14   6.701  -0.484  -2.976
  128    H    GLN  15           H        GLN  15   2.232   0.753  -1.606
  129    HA   GLN  15           HA       GLN  15   3.566   1.149   0.954
  130    HB2  GLN  15           HB2      GLN  15   0.706   1.637   0.085
  131    HB3  GLN  15           HB3      GLN  15   1.439   2.221   1.587
  132    HG2  GLN  15           HG2      GLN  15   2.916   3.696   0.394
  133    HG3  GLN  15           HG3      GLN  15   2.480   3.013  -1.169
  134   HE21  GLN  15          HE21      GLN  15   0.588   6.203  -0.768
  135   HE22  GLN  15          HE22      GLN  15   2.294   5.783  -0.726
  136    H    ARG  16           H        ARG  16   1.183  -1.205  -0.286
  137    HA   ARG  16           HA       ARG  16   0.711  -2.472   2.312
  138    HB2  ARG  16           HB2      ARG  16   0.363  -3.623  -0.485
  139    HB3  ARG  16           HB3      ARG  16  -0.214  -4.356   1.011
  140    HG2  ARG  16           HG2      ARG  16  -1.742  -2.469   1.408
  141    HG3  ARG  16           HG3      ARG  16  -1.103  -1.620   0.007
  142    HD2  ARG  16           HD2      ARG  16  -1.793  -3.786  -1.313
  143    HD3  ARG  16           HD3      ARG  16  -2.845  -4.065   0.092
  144    HE   ARG  16           HE       ARG  16  -3.405  -1.451  -0.555
  145   HH11  ARG  16          HH11      ARG  16  -3.591  -4.384  -2.523
  146   HH12  ARG  16          HH12      ARG  16  -4.726  -3.641  -3.604
  147   HH21  ARG  16          HH21      ARG  16  -4.769  -0.608  -1.965
  148   HH22  ARG  16          HH22      ARG  16  -5.464  -1.583  -3.248
  149    H    VAL  17           H        VAL  17   3.187  -2.893  -0.232
  150    HA   VAL  17           HA       VAL  17   4.480  -5.156   1.016
  151    HB   VAL  17           HB       VAL  17   5.850  -3.042  -0.681
  152   HG11  VAL  17          HG11      VAL  17   7.448  -4.441   0.506
  153   HG12  VAL  17          HG12      VAL  17   6.573  -5.910   0.035
  154   HG13  VAL  17          HG13      VAL  17   7.403  -4.926  -1.190
  155   HG21  VAL  17          HG21      VAL  17   5.516  -4.730  -2.532
  156   HG22  VAL  17          HG22      VAL  17   4.348  -5.553  -1.471
  157   HG23  VAL  17          HG23      VAL  17   4.059  -3.901  -2.020
  158    H    GLU  18           H        GLU  18   4.944  -1.614   1.474
  159    HA   GLU  18           HA       GLU  18   6.870  -1.856   3.588
  160    HB2  GLU  18           HB2      GLU  18   4.802   0.293   3.028
  161    HB3  GLU  18           HB3      GLU  18   6.002   0.380   4.325
  162    HG2  GLU  18           HG2      GLU  18   7.825   0.148   2.677
  163    HG3  GLU  18           HG3      GLU  18   6.643   0.084   1.365
  164    H    ASP  19           H        ASP  19   3.241  -1.801   3.834
  165    HA   ASP  19           HA       ASP  19   3.119  -2.266   6.609
  166    HB2  ASP  19           HB2      ASP  19   1.263  -3.187   4.411
  167    HB3  ASP  19           HB3      ASP  19   0.983  -3.559   6.095
  168    H    VAL  20           H        VAL  20   3.530  -4.787   4.097
  169    HA   VAL  20           HA       VAL  20   3.608  -7.018   5.906
  170    HB   VAL  20           HB       VAL  20   4.883  -6.644   3.172
  171   HG11  VAL  20          HG11      VAL  20   5.083  -9.120   3.117
  172   HG12  VAL  20          HG12      VAL  20   6.156  -8.415   4.324
  173   HG13  VAL  20          HG13      VAL  20   4.641  -9.195   4.835
  174   HG21  VAL  20          HG21      VAL  20   2.464  -8.276   4.070
  175   HG22  VAL  20          HG22      VAL  20   2.365  -6.679   3.307
  176   HG23  VAL  20          HG23      VAL  20   3.045  -8.047   2.409
  177    H    ARG  21           H        ARG  21   6.260  -4.882   4.708
  178    HA   ARG  21           HA       ARG  21   8.364  -6.242   6.081
  179    HB2  ARG  21           HB2      ARG  21   8.760  -4.661   4.242
  180    HB3  ARG  21           HB3      ARG  21   8.117  -3.334   5.194
  181    HG2  ARG  21           HG2      ARG  21  10.533  -3.211   5.130
  182    HG3  ARG  21           HG3      ARG  21   9.979  -3.471   6.781
  183    HD2  ARG  21           HD2      ARG  21  11.954  -4.826   6.366
  184    HD3  ARG  21           HD3      ARG  21  10.578  -5.874   6.611
  185    HE   ARG  21           HE       ARG  21  10.668  -6.582   4.380
  186   HH11  ARG  21          HH11      ARG  21  11.706  -6.970   2.463
  187   HH12  ARG  21          HH12      ARG  21  13.092  -6.029   2.010
  188   HH21  ARG  21          HH21      ARG  21  13.037  -4.013   4.782
  189   HH22  ARG  21          HH22      ARG  21  13.815  -4.383   3.269
  190    H    LEU  22           H        LEU  22   6.510  -3.339   7.178
  191    HA   LEU  22           HA       LEU  22   7.701  -3.183   9.751
  192    HB2  LEU  22           HB2      LEU  22   5.078  -2.210   8.540
  193    HB3  LEU  22           HB3      LEU  22   5.360  -2.104  10.272
  194    HG   LEU  22           HG       LEU  22   7.602  -0.966   9.686
  195   HD11  LEU  22          HD11      LEU  22   7.619  -1.312   7.246
  196   HD12  LEU  22          HD12      LEU  22   6.124  -0.352   7.108
  197   HD13  LEU  22          HD13      LEU  22   7.637   0.399   7.663
  198   HD21  LEU  22          HD21      LEU  22   6.497   1.245   9.613
  199   HD22  LEU  22          HD22      LEU  22   4.961   0.463   9.173
  200   HD23  LEU  22          HD23      LEU  22   5.698   0.166  10.768
  201    H    ILE  23           H        ILE  23   4.712  -5.004   8.767
  202    HA   ILE  23           HA       ILE  23   4.265  -5.793  11.493
  203    HB   ILE  23           HB       ILE  23   2.619  -5.554   9.564
  204   HG12  ILE  23          HG12      ILE  23   2.105  -6.117  11.917
  205   HG13  ILE  23          HG13      ILE  23   0.980  -6.662  10.707
  206   HG21  ILE  23          HG21      ILE  23   3.152  -8.527   9.161
  207   HG22  ILE  23          HG22      ILE  23   1.854  -7.530   8.453
  208   HG23  ILE  23          HG23      ILE  23   3.541  -7.223   8.028
  209   HD11  ILE  23          HD11      ILE  23   1.743  -8.992  10.944
  210   HD12  ILE  23          HD12      ILE  23   2.983  -8.474  12.107
  211   HD13  ILE  23          HD13      ILE  23   1.282  -8.318  12.513
  212    H    ARG  24           H        ARG  24   5.884  -7.529   8.775
  213    HA   ARG  24           HA       ARG  24   6.472  -9.928  10.256
  214    HB2  ARG  24           HB2      ARG  24   7.875  -8.521   7.941
  215    HB3  ARG  24           HB3      ARG  24   8.476 -10.020   8.615
  216    HG2  ARG  24           HG2      ARG  24   5.719  -9.688   7.347
  217    HG3  ARG  24           HG3      ARG  24   7.157 -10.379   6.586
  218    HD2  ARG  24           HD2      ARG  24   7.123 -11.998   8.710
  219    HD3  ARG  24           HD3      ARG  24   5.436 -11.523   8.786
  220    HE   ARG  24           HE       ARG  24   5.013 -12.550   6.672
  221   HH11  ARG  24          HH11      ARG  24   5.324 -14.279   5.303
  222   HH12  ARG  24          HH12      ARG  24   6.831 -15.155   5.346
  223   HH21  ARG  24          HH21      ARG  24   8.333 -13.146   7.673
  224   HH22  ARG  24          HH22      ARG  24   8.491 -14.517   6.614
  225    H    GLU  25           H        GLU  25   8.156  -6.796  10.239
  226    HA   GLU  25           HA       GLU  25  10.348  -7.712  11.860
  227    HB2  GLU  25           HB2      GLU  25  10.543  -5.719  10.496
  228    HB3  GLU  25           HB3      GLU  25   9.200  -4.956  11.335
  229    HG2  GLU  25           HG2      GLU  25  11.218  -3.953  12.093
  230    HG3  GLU  25           HG3      GLU  25  10.509  -4.842  13.423
  231    H    GLN  26           H        GLN  26   7.296  -6.000  12.786
  232    HA   GLN  26           HA       GLN  26   8.117  -6.080  15.588
  233    HB2  GLN  26           HB2      GLN  26   6.298  -4.647  16.034
  234    HB3  GLN  26           HB3      GLN  26   7.047  -4.141  14.520
  235    HG2  GLN  26           HG2      GLN  26   5.192  -5.477  13.337
  236    HG3  GLN  26           HG3      GLN  26   4.410  -5.616  14.899
  237   HE21  GLN  26          HE21      GLN  26   2.734  -2.743  13.389
  238   HE22  GLN  26          HE22      GLN  26   2.703  -4.501  13.347
  239    H    HIS  27           H        HIS  27   5.682  -7.931  13.728
  240    HA   HIS  27           HA       HIS  27   5.174  -9.656  16.109
  241    HB2  HIS  27           HB2      HIS  27   2.933  -8.284  14.576
  242    HB3  HIS  27           HB3      HIS  27   2.725  -9.496  15.829
  243    HD1  HIS  27           HD1      HIS  27   4.551  -8.277  18.135
  244    HD2  HIS  27           HD2      HIS  27   1.730  -6.276  15.711
  245    HE1  HIS  27           HE1      HIS  27   3.709  -6.265  19.506
  246    HE2  HIS  27           HE2      HIS  27   2.013  -5.037  18.005
  247    HA   PRO  28           HA       PRO  28   5.578 -11.906  11.992
  248    HB2  PRO  28           HB2      PRO  28   7.457 -13.782  12.773
  249    HB3  PRO  28           HB3      PRO  28   7.848 -12.161  12.130
  250    HG2  PRO  28           HG2      PRO  28   7.649 -13.021  15.034
  251    HG3  PRO  28           HG3      PRO  28   8.973 -12.109  14.240
  252    HD2  PRO  28           HD2      PRO  28   7.065 -10.823  15.634
  253    HD3  PRO  28           HD3      PRO  28   7.642 -10.148  14.082
  254    H    THR  29           H        THR  29   4.749 -12.960  15.239
  255    HA   THR  29           HA       THR  29   3.702 -15.551  14.543
  256    HB   THR  29           HB       THR  29   2.713 -15.646  16.650
  257    HG1  THR  29           HG1      THR  29   2.354 -13.800  17.901
  258   HG21  THR  29          HG21      THR  29   4.427 -15.038  18.224
  259   HG22  THR  29          HG22      THR  29   5.246 -15.524  16.735
  260   HG23  THR  29          HG23      THR  29   5.096 -13.798  17.146
  261    H    LYS  30           H        LYS  30   2.468 -12.431  13.779
  262    HA   LYS  30           HA       LYS  30  -0.154 -13.675  13.075
  263    HB2  LYS  30           HB2      LYS  30   0.487 -10.714  13.388
  264    HB3  LYS  30           HB3      LYS  30  -1.065 -11.414  12.889
  265    HG2  LYS  30           HG2      LYS  30  -1.050 -12.714  15.084
  266    HG3  LYS  30           HG3      LYS  30   0.312 -11.705  15.594
  267    HD2  LYS  30           HD2      LYS  30  -1.108  -9.679  15.418
  268    HD3  LYS  30           HD3      LYS  30  -2.456 -10.665  14.797
  269    HE2  LYS  30           HE2      LYS  30  -2.266 -12.070  16.913
  270    HE3  LYS  30           HE3      LYS  30  -1.146 -10.868  17.550
  271    HZ1  LYS  30           HZ1      LYS  30  -2.966  -9.214  17.437
  272    HZ2  LYS  30           HZ2      LYS  30  -3.982 -10.298  16.771
  273    HZ3  LYS  30           HZ3      LYS  30  -3.421 -10.523  18.305
  274    H    ILE  31           H        ILE  31  -0.981 -13.533  11.133
  275    HA   ILE  31           HA       ILE  31   0.928 -13.466   8.898
  276    HB   ILE  31           HB       ILE  31  -1.868 -14.625   9.210
  277   HG12  ILE  31          HG12      ILE  31  -0.355 -15.781  10.717
  278   HG13  ILE  31          HG13      ILE  31  -0.794 -16.817   9.374
  279   HG21  ILE  31          HG21      ILE  31   0.175 -15.010   6.998
  280   HG22  ILE  31          HG22      ILE  31  -1.315 -15.959   7.210
  281   HG23  ILE  31          HG23      ILE  31  -1.419 -14.233   6.851
  282   HD11  ILE  31          HD11      ILE  31   1.869 -15.348   9.651
  283   HD12  ILE  31          HD12      ILE  31   1.577 -17.057   9.980
  284   HD13  ILE  31          HD13      ILE  31   1.422 -16.451   8.325
  285    HA   PRO  32           HA       PRO  32  -1.148  -9.706   7.462
  286    HB2  PRO  32           HB2      PRO  32   0.340  -9.146   5.253
  287    HB3  PRO  32           HB3      PRO  32   0.981  -8.995   6.912
  288    HG2  PRO  32           HG2      PRO  32   1.364 -11.298   4.989
  289    HG3  PRO  32           HG3      PRO  32   2.601 -10.450   5.966
  290    HD2  PRO  32           HD2      PRO  32   1.422 -12.803   6.754
  291    HD3  PRO  32           HD3      PRO  32   1.952 -11.554   7.922
  292    H    VAL  33           H        VAL  33  -3.186  -9.932   6.700
  293    HA   VAL  33           HA       VAL  33  -3.546 -11.094   3.982
  294    HB   VAL  33           HB       VAL  33  -5.599 -11.395   6.138
  295   HG11  VAL  33          HG11      VAL  33  -6.406 -13.239   4.657
  296   HG12  VAL  33          HG12      VAL  33  -6.482 -11.666   3.879
  297   HG13  VAL  33          HG13      VAL  33  -5.170 -12.787   3.466
  298   HG21  VAL  33          HG21      VAL  33  -3.428 -13.393   5.440
  299   HG22  VAL  33          HG22      VAL  33  -3.733 -12.626   7.011
  300   HG23  VAL  33          HG23      VAL  33  -4.896 -13.777   6.368
  301    H    ILE  34           H        ILE  34  -4.893 -10.113   2.576
  302    HA   ILE  34           HA       ILE  34  -6.150  -7.508   3.362
  303    HB   ILE  34           HB       ILE  34  -4.989  -8.522   0.768
  304   HG12  ILE  34          HG12      ILE  34  -4.329  -5.903   2.171
  305   HG13  ILE  34          HG13      ILE  34  -3.601  -7.397   2.740
  306   HG21  ILE  34          HG21      ILE  34  -7.030  -7.333   0.134
  307   HG22  ILE  34          HG22      ILE  34  -6.622  -5.981   1.216
  308   HG23  ILE  34          HG23      ILE  34  -5.640  -6.310  -0.218
  309   HD11  ILE  34          HD11      ILE  34  -3.315  -6.297  -0.066
  310   HD12  ILE  34          HD12      ILE  34  -2.078  -6.350   1.206
  311   HD13  ILE  34          HD13      ILE  34  -2.680  -7.857   0.491
  312    H    ILE  35           H        ILE  35  -8.310  -7.147   2.837
  313    HA   ILE  35           HA       ILE  35  -9.821  -9.341   1.604
  314    HB   ILE  35           HB       ILE  35 -10.091  -9.858   3.919
  315   HG12  ILE  35          HG12      ILE  35 -12.618  -8.525   2.829
  316   HG13  ILE  35          HG13      ILE  35 -12.045 -10.155   2.387
  317   HG21  ILE  35          HG21      ILE  35 -11.113  -8.260   5.533
  318   HG22  ILE  35          HG22      ILE  35  -9.603  -7.638   4.897
  319   HG23  ILE  35          HG23      ILE  35 -11.151  -7.010   4.287
  320   HD11  ILE  35          HD11      ILE  35 -13.033  -9.325   5.132
  321   HD12  ILE  35          HD12      ILE  35 -13.873 -10.309   3.935
  322   HD13  ILE  35          HD13      ILE  35 -12.383 -10.926   4.673
  323    H    GLU  36           H        GLU  36 -11.348  -8.742   0.162
  324    HA   GLU  36           HA       GLU  36 -12.412  -5.955   0.210
  325    HB2  GLU  36           HB2      GLU  36 -10.229  -5.960  -1.063
  326    HB3  GLU  36           HB3      GLU  36 -10.949  -7.104  -2.208
  327    HG2  GLU  36           HG2      GLU  36 -12.702  -5.409  -2.751
  328    HG3  GLU  36           HG3      GLU  36 -11.965  -4.294  -1.595
  329    H    ARG  37           H        ARG  37 -14.406  -5.746  -0.610
  330    HA   ARG  37           HA       ARG  37 -16.063  -8.042  -1.083
  331    HB2  ARG  37           HB2      ARG  37 -16.840  -5.981  -0.090
  332    HB3  ARG  37           HB3      ARG  37 -16.436  -5.067  -1.546
  333    HG2  ARG  37           HG2      ARG  37 -18.238  -6.057  -2.788
  334    HG3  ARG  37           HG3      ARG  37 -18.539  -7.266  -1.523
  335    HD2  ARG  37           HD2      ARG  37 -20.187  -5.374  -1.546
  336    HD3  ARG  37           HD3      ARG  37 -19.380  -5.611   0.001
  337    HE   ARG  37           HE       ARG  37 -19.004  -3.347  -1.909
  338   HH11  ARG  37          HH11      ARG  37 -18.278  -4.602   1.344
  339   HH12  ARG  37          HH12      ARG  37 -17.301  -3.173   1.677
  340   HH21  ARG  37          HH21      ARG  37 -17.712  -1.565  -1.205
  341   HH22  ARG  37          HH22      ARG  37 -17.067  -1.646   0.438
  342    H    TYR  38           H        TYR  38 -16.813  -8.986  -2.892
  343    HA   TYR  38           HA       TYR  38 -15.397  -8.873  -5.287
  344    HB2  TYR  38           HB2      TYR  38 -16.406 -10.869  -4.770
  345    HB3  TYR  38           HB3      TYR  38 -17.971 -10.122  -4.512
  346    HD1  TYR  38           HD1      TYR  38 -15.541 -10.362  -7.404
  347    HD2  TYR  38           HD2      TYR  38 -19.599 -10.844  -5.992
  348    HE1  TYR  38           HE1      TYR  38 -16.239 -11.129  -9.657
  349    HE2  TYR  38           HE2      TYR  38 -20.266 -11.653  -8.242
  350    HH   TYR  38           HH       TYR  38 -17.985 -11.795 -10.995
  351    H    LYS  39           H        LYS  39 -15.203  -7.582  -6.928
  352    HA   LYS  39           HA       LYS  39 -16.727  -5.188  -7.143
  353    HB2  LYS  39           HB2      LYS  39 -14.806  -6.508  -9.107
  354    HB3  LYS  39           HB3      LYS  39 -15.454  -4.871  -9.288
  355    HG2  LYS  39           HG2      LYS  39 -14.459  -4.206  -7.122
  356    HG3  LYS  39           HG3      LYS  39 -13.778  -5.827  -6.924
  357    HD2  LYS  39           HD2      LYS  39 -12.465  -5.535  -9.014
  358    HD3  LYS  39           HD3      LYS  39 -13.139  -3.900  -9.198
  359    HE2  LYS  39           HE2      LYS  39 -12.151  -3.255  -7.005
  360    HE3  LYS  39           HE3      LYS  39 -11.492  -4.879  -6.818
  361    HZ1  LYS  39           HZ1      LYS  39 -10.147  -4.489  -8.834
  362    HZ2  LYS  39           HZ2      LYS  39 -10.746  -2.972  -8.982
  363    HZ3  LYS  39           HZ3      LYS  39  -9.816  -3.361  -7.699
  364    H    GLY  40           H        GLY  40 -17.195  -8.268  -8.787
  365    HA2  GLY  40           HA2      GLY  40 -18.903  -7.315 -10.908
  366    HA3  GLY  40           HA3      GLY  40 -18.704  -8.983 -10.380
  367    H    GLU  41           H        GLU  41 -19.609  -8.124  -7.539
  368    HA   GLU  41           HA       GLU  41 -22.348  -7.223  -7.920
  369    HB2  GLU  41           HB2      GLU  41 -22.703  -9.522  -8.476
  370    HB3  GLU  41           HB3      GLU  41 -21.765 -10.075  -7.103
  371    HG2  GLU  41           HG2      GLU  41 -24.100 -10.495  -6.758
  372    HG3  GLU  41           HG3      GLU  41 -23.493  -9.383  -5.550
  373    H    LYS  42           H        LYS  42 -21.885  -5.541  -6.624
  374    HA   LYS  42           HA       LYS  42 -20.728  -5.805  -3.960
  375    HB2  LYS  42           HB2      LYS  42 -21.914  -3.437  -5.454
  376    HB3  LYS  42           HB3      LYS  42 -21.101  -3.332  -3.888
  377    HG2  LYS  42           HG2      LYS  42 -18.996  -4.150  -4.851
  378    HG3  LYS  42           HG3      LYS  42 -19.762  -4.344  -6.438
  379    HD2  LYS  42           HD2      LYS  42 -20.248  -1.930  -6.528
  380    HD3  LYS  42           HD3      LYS  42 -19.489  -1.697  -4.940
  381    HE2  LYS  42           HE2      LYS  42 -17.315  -2.444  -5.819
  382    HE3  LYS  42           HE3      LYS  42 -18.047  -2.816  -7.389
  383    HZ1  LYS  42           HZ1      LYS  42 -18.556  -0.437  -7.640
  384    HZ2  LYS  42           HZ2      LYS  42 -17.874  -0.087  -6.197
  385    HZ3  LYS  42           HZ3      LYS  42 -16.954  -0.641  -7.425
  386    H    GLN  43           H        GLN  43 -22.858  -7.436  -3.924
  387    HA   GLN  43           HA       GLN  43 -25.332  -6.210  -3.050
  388    HB2  GLN  43           HB2      GLN  43 -24.966  -8.449  -4.174
  389    HB3  GLN  43           HB3      GLN  43 -24.396  -9.083  -2.630
  390    HG2  GLN  43           HG2      GLN  43 -26.618  -8.499  -1.630
  391    HG3  GLN  43           HG3      GLN  43 -27.140  -7.897  -3.211
  392   HE21  GLN  43          HE21      GLN  43 -27.113 -11.352  -4.589
  393   HE22  GLN  43          HE22      GLN  43 -26.603  -9.739  -5.081
  394    H    LEU  44           H        LEU  44 -22.573  -7.610  -1.305
  395    HA   LEU  44           HA       LEU  44 -23.786  -7.401   1.333
  396    HB2  LEU  44           HB2      LEU  44 -20.942  -7.893   0.345
  397    HB3  LEU  44           HB3      LEU  44 -21.385  -7.904   2.054
  398    HG   LEU  44           HG       LEU  44 -22.415  -9.819  -0.091
  399   HD11  LEU  44          HD11      LEU  44 -21.162 -11.492   1.234
  400   HD12  LEU  44          HD12      LEU  44 -20.100 -10.213   0.598
  401   HD13  LEU  44          HD13      LEU  44 -20.587 -10.205   2.314
  402   HD21  LEU  44          HD21      LEU  44 -23.032  -9.692   2.892
  403   HD22  LEU  44          HD22      LEU  44 -24.203  -9.541   1.558
  404   HD23  LEU  44          HD23      LEU  44 -23.395 -11.082   1.846
  405    HA   PRO  45           HA       PRO  45 -23.263  -3.213   2.184
  406    HB2  PRO  45           HB2      PRO  45 -22.765  -3.071   4.888
  407    HB3  PRO  45           HB3      PRO  45 -24.331  -3.579   4.181
  408    HG2  PRO  45           HG2      PRO  45 -22.048  -5.363   5.111
  409    HG3  PRO  45           HG3      PRO  45 -23.788  -5.483   5.548
  410    HD2  PRO  45           HD2      PRO  45 -22.762  -7.004   3.577
  411    HD3  PRO  45           HD3      PRO  45 -24.366  -6.238   3.360
  412    H    VAL  46           H        VAL  46 -21.903  -1.434   2.753
  413    HA   VAL  46           HA       VAL  46 -19.117  -1.793   2.124
  414    HB   VAL  46           HB       VAL  46 -19.017   0.575   1.962
  415   HG11  VAL  46          HG11      VAL  46 -20.171  -0.685   0.140
  416   HG12  VAL  46          HG12      VAL  46 -21.733  -0.255   0.870
  417   HG13  VAL  46          HG13      VAL  46 -20.653   1.009   0.262
  418   HG21  VAL  46          HG21      VAL  46 -20.907   2.080   2.463
  419   HG22  VAL  46          HG22      VAL  46 -21.816   0.735   3.173
  420   HG23  VAL  46          HG23      VAL  46 -20.325   1.312   3.938
  421    H    LEU  47           H        LEU  47 -19.645  -3.063   4.546
  422    HA   LEU  47           HA       LEU  47 -18.346  -1.533   6.714
  423    HB2  LEU  47           HB2      LEU  47 -19.251  -4.429   6.468
  424    HB3  LEU  47           HB3      LEU  47 -18.533  -3.738   7.923
  425    HG   LEU  47           HG       LEU  47 -21.142  -2.769   6.666
  426   HD11  LEU  47          HD11      LEU  47 -20.660  -4.538   9.093
  427   HD12  LEU  47          HD12      LEU  47 -22.234  -3.917   8.542
  428   HD13  LEU  47          HD13      LEU  47 -21.335  -5.053   7.528
  429   HD21  LEU  47          HD21      LEU  47 -21.472  -1.650   8.862
  430   HD22  LEU  47          HD22      LEU  47 -19.833  -2.131   9.348
  431   HD23  LEU  47          HD23      LEU  47 -20.080  -1.000   7.997
  432    H    ASP  48           H        ASP  48 -16.706  -1.144   4.900
  433    HA   ASP  48           HA       ASP  48 -14.979  -3.102   3.948
  434    HB2  ASP  48           HB2      ASP  48 -14.688  -0.106   4.148
  435    HB3  ASP  48           HB3      ASP  48 -13.498  -1.135   3.354
  436    H    LYS  49           H        LYS  49 -14.226  -4.505   5.584
  437    HA   LYS  49           HA       LYS  49 -12.447  -3.618   7.704
  438    HB2  LYS  49           HB2      LYS  49 -12.615  -6.348   6.348
  439    HB3  LYS  49           HB3      LYS  49 -11.839  -6.011   7.893
  440    HG2  LYS  49           HG2      LYS  49 -14.824  -5.884   7.290
  441    HG3  LYS  49           HG3      LYS  49 -13.963  -7.102   8.207
  442    HD2  LYS  49           HD2      LYS  49 -14.938  -5.871   9.859
  443    HD3  LYS  49           HD3      LYS  49 -13.305  -5.201   9.854
  444    HE2  LYS  49           HE2      LYS  49 -14.089  -3.222   8.619
  445    HE3  LYS  49           HE3      LYS  49 -15.679  -3.970   8.367
  446    HZ1  LYS  49           HZ1      LYS  49 -15.795  -2.393  10.209
  447    HZ2  LYS  49           HZ2      LYS  49 -15.969  -3.888  10.850
  448    HZ3  LYS  49           HZ3      LYS  49 -14.533  -3.086  10.983
  449    H    THR  50           H        THR  50 -11.785  -4.321   4.372
  450    HA   THR  50           HA       THR  50 -10.024  -4.159   3.054
  451    HB   THR  50           HB       THR  50  -8.727  -2.366   2.995
  452    HG1  THR  50           HG1      THR  50  -7.821  -1.387   4.660
  453   HG21  THR  50          HG21      THR  50 -11.189  -1.720   3.342
  454   HG22  THR  50          HG22      THR  50 -10.721  -1.316   5.020
  455   HG23  THR  50          HG23      THR  50  -9.976  -0.465   3.648
  456    H    LYS  51           H        LYS  51  -8.614  -4.669   6.271
  457    HA   LYS  51           HA       LYS  51  -7.096  -6.945   5.167
  458    HB2  LYS  51           HB2      LYS  51  -4.888  -6.109   5.878
  459    HB3  LYS  51           HB3      LYS  51  -5.609  -5.074   4.668
  460    HG2  LYS  51           HG2      LYS  51  -6.408  -3.991   7.196
  461    HG3  LYS  51           HG3      LYS  51  -4.719  -4.433   7.376
  462    HD2  LYS  51           HD2      LYS  51  -5.939  -2.601   5.270
  463    HD3  LYS  51           HD3      LYS  51  -5.030  -2.082   6.677
  464    HE2  LYS  51           HE2      LYS  51  -3.952  -3.605   4.242
  465    HE3  LYS  51           HE3      LYS  51  -3.728  -1.902   4.609
  466    HZ1  LYS  51           HZ1      LYS  51  -2.456  -4.207   5.993
  467    HZ2  LYS  51           HZ2      LYS  51  -1.753  -2.846   5.375
  468    HZ3  LYS  51           HZ3      LYS  51  -2.567  -2.755   6.758
  469    H    PHE  52           H        PHE  52  -5.889  -8.111   6.857
  470    HA   PHE  52           HA       PHE  52  -6.406  -7.493   9.582
  471    HB2  PHE  52           HB2      PHE  52  -7.426  -9.775  10.193
  472    HB3  PHE  52           HB3      PHE  52  -8.411  -8.427   9.676
  473    HD1  PHE  52           HD1      PHE  52  -6.635 -11.376   8.174
  474    HD2  PHE  52           HD2      PHE  52 -10.099  -8.832   8.117
  475    HE1  PHE  52           HE1      PHE  52  -7.703 -12.881   6.515
  476    HE2  PHE  52           HE2      PHE  52 -11.188 -10.370   6.503
  477    HZ   PHE  52           HZ       PHE  52  -9.985 -12.376   5.660
  478    H    LEU  53           H        LEU  53  -5.342  -8.672  11.213
  479    HA   LEU  53           HA       LEU  53  -2.849 -10.001  10.186
  480    HB2  LEU  53           HB2      LEU  53  -3.261  -8.357  12.719
  481    HB3  LEU  53           HB3      LEU  53  -1.758  -9.122  12.197
  482    HG   LEU  53           HG       LEU  53  -3.185  -6.833  10.777
  483   HD11  LEU  53          HD11      LEU  53  -2.141  -6.188  12.905
  484   HD12  LEU  53          HD12      LEU  53  -0.628  -6.957  12.427
  485   HD13  LEU  53          HD13      LEU  53  -1.228  -5.531  11.535
  486   HD21  LEU  53          HD21      LEU  53  -2.066  -8.124   9.092
  487   HD22  LEU  53          HD22      LEU  53  -1.077  -6.707   9.427
  488   HD23  LEU  53          HD23      LEU  53  -0.608  -8.296  10.096
  489    H    VAL  54           H        VAL  54  -3.448 -12.120  10.265
  490    HA   VAL  54           HA       VAL  54  -5.099 -13.010  12.540
  491    HB   VAL  54           HB       VAL  54  -4.358 -14.858  10.303
  492   HG11  VAL  54          HG11      VAL  54  -6.536 -15.828  10.812
  493   HG12  VAL  54          HG12      VAL  54  -5.607 -15.663  12.316
  494   HG13  VAL  54          HG13      VAL  54  -6.906 -14.508  11.947
  495   HG21  VAL  54          HG21      VAL  54  -5.125 -12.909   9.091
  496   HG22  VAL  54          HG22      VAL  54  -6.395 -14.130   9.087
  497   HG23  VAL  54          HG23      VAL  54  -6.529 -12.736  10.185
  498    HA   PRO  55           HA       PRO  55  -1.543 -14.859  14.628
  499    HB2  PRO  55           HB2      PRO  55  -3.554 -16.518  16.080
  500    HB3  PRO  55           HB3      PRO  55  -2.251 -15.493  16.729
  501    HG2  PRO  55           HG2      PRO  55  -4.923 -14.769  16.781
  502    HG3  PRO  55           HG3      PRO  55  -3.591 -13.588  16.679
  503    HD2  PRO  55           HD2      PRO  55  -5.448 -14.508  14.525
  504    HD3  PRO  55           HD3      PRO  55  -4.632 -12.937  14.743
  505    H    ASP  56           H        ASP  56  -0.357 -16.573  14.033
  506    HA   ASP  56           HA       ASP  56  -0.760 -18.182  11.917
  507    HB2  ASP  56           HB2      ASP  56   0.971 -19.718  12.947
  508    HB3  ASP  56           HB3      ASP  56   1.362 -18.007  12.813
  509    H    HIS  57           H        HIS  57  -1.702 -19.185  15.128
  510    HA   HIS  57           HA       HIS  57  -2.632 -21.823  14.272
  511    HB2  HIS  57           HB2      HIS  57  -2.902 -22.241  16.662
  512    HB3  HIS  57           HB3      HIS  57  -1.328 -21.566  16.274
  513    HD1  HIS  57           HD1      HIS  57  -0.852 -18.990  17.084
  514    HD2  HIS  57           HD2      HIS  57  -4.254 -21.035  18.552
  515    HE1  HIS  57           HE1      HIS  57  -1.592 -17.755  19.232
  516    HE2  HIS  57           HE2      HIS  57  -3.646 -19.027  20.139
  517    H    VAL  58           H        VAL  58  -4.282 -18.965  13.980
  518    HA   VAL  58           HA       VAL  58  -6.966 -19.802  14.865
  519    HB   VAL  58           HB       VAL  58  -5.957 -17.682  12.968
  520   HG11  VAL  58          HG11      VAL  58  -8.848 -18.233  13.744
  521   HG12  VAL  58          HG12      VAL  58  -8.274 -16.736  12.987
  522   HG13  VAL  58          HG13      VAL  58  -8.159 -18.253  12.099
  523   HG21  VAL  58          HG21      VAL  58  -6.853 -16.174  14.756
  524   HG22  VAL  58          HG22      VAL  58  -7.314 -17.596  15.708
  525   HG23  VAL  58          HG23      VAL  58  -5.602 -17.264  15.383
  526    H    ASN  59           H        ASN  59  -8.399 -21.101  13.718
  527    HA   ASN  59           HA       ASN  59  -7.548 -22.386  11.211
  528    HB2  ASN  59           HB2      ASN  59 -10.060 -22.593  12.926
  529    HB3  ASN  59           HB3      ASN  59  -9.833 -23.487  11.430
  530   HD21  ASN  59          HD21      ASN  59 -10.288 -24.841  13.802
  531   HD22  ASN  59          HD22      ASN  59  -8.814 -25.697  14.231
  532    H    MET  60           H        MET  60  -8.511 -22.181   9.159
  533    HA   MET  60           HA       MET  60  -9.402 -19.640   8.324
  534    HB2  MET  60           HB2      MET  60  -8.411 -21.373   6.873
  535    HB3  MET  60           HB3      MET  60  -9.858 -22.367   7.053
  536    HG2  MET  60           HG2      MET  60  -9.951 -21.251   4.929
  537    HG3  MET  60           HG3      MET  60 -11.203 -20.569   5.960
  538    HE1  MET  60           HE1      MET  60 -10.663 -19.111   3.394
  539    HE2  MET  60           HE2      MET  60 -11.653 -18.398   4.690
  540    HE3  MET  60           HE3      MET  60 -10.393 -17.429   3.903
  541    H    SER  61           H        SER  61 -11.384 -22.457   9.302
  542    HA   SER  61           HA       SER  61 -13.975 -21.366   8.863
  543    HB2  SER  61           HB2      SER  61 -14.627 -23.057  10.598
  544    HB3  SER  61           HB3      SER  61 -13.647 -23.712   9.269
  545    HG   SER  61           HG       SER  61 -12.967 -24.349  11.459
  546    H    GLU  62           H        GLU  62 -11.769 -21.047  11.673
  547    HA   GLU  62           HA       GLU  62 -13.663 -19.524  13.258
  548    HB2  GLU  62           HB2      GLU  62 -11.823 -20.847  14.257
  549    HB3  GLU  62           HB3      GLU  62 -10.646 -19.792  13.492
  550    HG2  GLU  62           HG2      GLU  62 -10.818 -19.160  15.775
  551    HG3  GLU  62           HG3      GLU  62 -11.498 -17.860  14.810
  552    H    LEU  63           H        LEU  63 -10.961 -18.575  11.073
  553    HA   LEU  63           HA       LEU  63 -11.232 -15.738  11.356
  554    HB2  LEU  63           HB2      LEU  63  -9.327 -16.739  10.195
  555    HB3  LEU  63           HB3      LEU  63 -10.384 -17.469   8.994
  556    HG   LEU  63           HG       LEU  63 -11.038 -15.165   8.199
  557   HD11  LEU  63          HD11      LEU  63  -8.765 -14.282  10.037
  558   HD12  LEU  63          HD12      LEU  63  -9.593 -13.266   8.836
  559   HD13  LEU  63          HD13      LEU  63 -10.479 -13.867  10.232
  560   HD21  LEU  63          HD21      LEU  63  -9.302 -16.507   7.075
  561   HD22  LEU  63          HD22      LEU  63  -9.008 -14.776   6.942
  562   HD23  LEU  63          HD23      LEU  63  -8.056 -15.748   8.096
  563    H    ILE  64           H        ILE  64 -12.878 -17.972   9.076
  564    HA   ILE  64           HA       ILE  64 -14.626 -16.127   7.813
  565    HB   ILE  64           HB       ILE  64 -14.749 -19.065   8.465
  566   HG12  ILE  64          HG12      ILE  64 -14.799 -17.692   5.757
  567   HG13  ILE  64          HG13      ILE  64 -13.297 -17.979   6.638
  568   HG21  ILE  64          HG21      ILE  64 -17.111 -18.479   8.595
  569   HG22  ILE  64          HG22      ILE  64 -17.005 -17.586   7.055
  570   HG23  ILE  64          HG23      ILE  64 -16.805 -19.342   7.102
  571   HD11  ILE  64          HD11      ILE  64 -15.212 -20.161   5.774
  572   HD12  ILE  64          HD12      ILE  64 -13.660 -19.757   5.016
  573   HD13  ILE  64          HD13      ILE  64 -13.700 -20.400   6.670
  574    H    LYS  65           H        LYS  65 -15.107 -17.870  10.921
  575    HA   LYS  65           HA       LYS  65 -17.724 -16.888  11.436
  576    HB2  LYS  65           HB2      LYS  65 -16.474 -18.832  12.502
  577    HB3  LYS  65           HB3      LYS  65 -15.608 -17.651  13.489
  578    HG2  LYS  65           HG2      LYS  65 -17.918 -16.832  14.273
  579    HG3  LYS  65           HG3      LYS  65 -18.587 -18.264  13.472
  580    HD2  LYS  65           HD2      LYS  65 -16.446 -18.262  15.655
  581    HD3  LYS  65           HD3      LYS  65 -18.160 -18.567  15.944
  582    HE2  LYS  65           HE2      LYS  65 -18.134 -20.643  14.783
  583    HE3  LYS  65           HE3      LYS  65 -16.597 -20.292  13.987
  584    HZ1  LYS  65           HZ1      LYS  65 -15.449 -20.470  16.072
  585    HZ2  LYS  65           HZ2      LYS  65 -16.852 -20.698  16.922
  586    HZ3  LYS  65           HZ3      LYS  65 -16.329 -21.840  15.870
  587    H    ILE  66           H        ILE  66 -14.597 -15.548  12.693
  588    HA   ILE  66           HA       ILE  66 -15.904 -13.316  13.989
  589    HB   ILE  66           HB       ILE  66 -13.790 -13.975  14.764
  590   HG12  ILE  66          HG12      ILE  66 -14.469 -11.477  14.769
  591   HG13  ILE  66          HG13      ILE  66 -12.871 -11.969  15.278
  592   HG21  ILE  66          HG21      ILE  66 -12.653 -14.846  12.838
  593   HG22  ILE  66          HG22      ILE  66 -12.528 -13.246  12.094
  594   HG23  ILE  66          HG23      ILE  66 -11.649 -13.624  13.593
  595   HD11  ILE  66          HD11      ILE  66 -13.476 -10.733  12.565
  596   HD12  ILE  66          HD12      ILE  66 -12.767  -9.913  13.967
  597   HD13  ILE  66          HD13      ILE  66 -11.869 -11.199  13.171
  598    H    ILE  67           H        ILE  67 -14.478 -13.599  10.703
  599    HA   ILE  67           HA       ILE  67 -14.998 -10.816  10.070
  600    HB   ILE  67           HB       ILE  67 -14.428 -13.229   8.319
  601   HG12  ILE  67          HG12      ILE  67 -12.551 -12.653   9.785
  602   HG13  ILE  67          HG13      ILE  67 -12.175 -12.264   8.124
  603   HG21  ILE  67          HG21      ILE  67 -13.841 -11.569   6.559
  604   HG22  ILE  67          HG22      ILE  67 -15.564 -11.607   6.923
  605   HG23  ILE  67          HG23      ILE  67 -14.571 -10.280   7.550
  606   HD11  ILE  67          HD11      ILE  67 -11.324 -10.577   9.681
  607   HD12  ILE  67          HD12      ILE  67 -12.546  -9.842   8.626
  608   HD13  ILE  67          HD13      ILE  67 -12.934 -10.263  10.311
  609    H    ARG  68           H        ARG  68 -16.976 -13.773   9.439
  610    HA   ARG  68           HA       ARG  68 -19.130 -12.444   8.128
  611    HB2  ARG  68           HB2      ARG  68 -18.829 -14.917   8.312
  612    HB3  ARG  68           HB3      ARG  68 -19.249 -14.835  10.028
  613    HG2  ARG  68           HG2      ARG  68 -21.477 -13.860   9.361
  614    HG3  ARG  68           HG3      ARG  68 -21.006 -14.050   7.668
  615    HD2  ARG  68           HD2      ARG  68 -22.518 -15.836   8.346
  616    HD3  ARG  68           HD3      ARG  68 -20.938 -16.471   7.912
  617    HE   ARG  68           HE       ARG  68 -20.661 -17.282  10.034
  618   HH11  ARG  68          HH11      ARG  68 -23.236 -14.858  10.348
  619   HH12  ARG  68          HH12      ARG  68 -23.633 -15.431  11.947
  620   HH21  ARG  68          HH21      ARG  68 -21.286 -17.920  12.049
  621   HH22  ARG  68          HH22      ARG  68 -22.561 -17.090  12.881
  622    H    ARG  69           H        ARG  69 -18.610 -12.941  11.637
  623    HA   ARG  69           HA       ARG  69 -20.935 -11.470  12.489
  624    HB2  ARG  69           HB2      ARG  69 -19.851 -13.063  13.963
  625    HB3  ARG  69           HB3      ARG  69 -18.329 -12.183  13.900
  626    HG2  ARG  69           HG2      ARG  69 -19.474 -11.826  16.035
  627    HG3  ARG  69           HG3      ARG  69 -19.267 -10.318  15.160
  628    HD2  ARG  69           HD2      ARG  69 -21.718 -10.606  14.349
  629    HD3  ARG  69           HD3      ARG  69 -21.823 -11.941  15.480
  630    HE   ARG  69           HE       ARG  69 -21.769 -10.462  17.285
  631   HH11  ARG  69          HH11      ARG  69 -21.215  -8.531  14.356
  632   HH12  ARG  69          HH12      ARG  69 -21.621  -7.061  15.198
  633   HH21  ARG  69          HH21      ARG  69 -22.212  -8.532  18.237
  634   HH22  ARG  69          HH22      ARG  69 -22.151  -7.058  17.323
  635    H    ARG  70           H        ARG  70 -17.568 -10.323  12.004
  636    HA   ARG  70           HA       ARG  70 -18.152  -7.574  12.742
  637    HB2  ARG  70           HB2      ARG  70 -15.916  -8.888  11.138
  638    HB3  ARG  70           HB3      ARG  70 -15.967  -7.153  11.405
  639    HG2  ARG  70           HG2      ARG  70 -15.957  -9.169  13.687
  640    HG3  ARG  70           HG3      ARG  70 -14.510  -8.408  13.011
  641    HD2  ARG  70           HD2      ARG  70 -15.380  -6.173  13.570
  642    HD3  ARG  70           HD3      ARG  70 -16.838  -6.891  14.263
  643    HE   ARG  70           HE       ARG  70 -15.406  -8.032  15.940
  644   HH11  ARG  70          HH11      ARG  70 -13.899  -5.134  14.457
  645   HH12  ARG  70          HH12      ARG  70 -13.295  -4.689  16.059
  646   HH21  ARG  70          HH21      ARG  70 -14.260  -7.343  17.776
  647   HH22  ARG  70          HH22      ARG  70 -13.358  -5.834  17.653
  648    H    LEU  71           H        LEU  71 -18.492  -9.228   9.667
  649    HA   LEU  71           HA       LEU  71 -19.401  -6.798   8.275
  650    HB2  LEU  71           HB2      LEU  71 -19.423  -9.752   7.545
  651    HB3  LEU  71           HB3      LEU  71 -19.957  -8.466   6.467
  652    HG   LEU  71           HG       LEU  71 -17.117  -8.655   7.567
  653   HD11  LEU  71          HD11      LEU  71 -18.264  -9.481   4.866
  654   HD12  LEU  71          HD12      LEU  71 -16.541  -9.473   5.307
  655   HD13  LEU  71          HD13      LEU  71 -17.666 -10.578   6.127
  656   HD21  LEU  71          HD21      LEU  71 -17.692  -6.375   6.887
  657   HD22  LEU  71          HD22      LEU  71 -16.616  -7.099   5.693
  658   HD23  LEU  71          HD23      LEU  71 -18.353  -6.976   5.346
  659    H    GLN  72           H        GLN  72 -20.889  -8.397  10.724
  660    HA   GLN  72           HA       GLN  72 -22.962  -8.510  11.541
  661    HB2  GLN  72           HB2      GLN  72 -22.718  -6.046  10.693
  662    HB3  GLN  72           HB3      GLN  72 -23.921  -6.515   9.488
  663    HG2  GLN  72           HG2      GLN  72 -25.508  -7.100  11.324
  664    HG3  GLN  72           HG3      GLN  72 -24.256  -6.746  12.517
  665   HE21  GLN  72          HE21      GLN  72 -26.322  -3.727  12.537
  666   HE22  GLN  72          HE22      GLN  72 -26.375  -5.382  13.128
  667    H    LEU  73           H        LEU  73 -22.344 -10.414   9.318
  668    HA   LEU  73           HA       LEU  73 -24.929 -10.689   7.891
  669    HB2  LEU  73           HB2      LEU  73 -22.421 -12.330   7.562
  670    HB3  LEU  73           HB3      LEU  73 -23.790 -12.246   6.459
  671    HG   LEU  73           HG       LEU  73 -21.790 -10.033   7.087
  672   HD11  LEU  73          HD11      LEU  73 -22.247 -11.552   4.516
  673   HD12  LEU  73          HD12      LEU  73 -21.017 -10.301   4.825
  674   HD13  LEU  73          HD13      LEU  73 -20.921 -11.851   5.678
  675   HD21  LEU  73          HD21      LEU  73 -24.072  -9.987   5.059
  676   HD22  LEU  73          HD22      LEU  73 -24.011  -9.034   6.565
  677   HD23  LEU  73          HD23      LEU  73 -22.838  -8.730   5.291
  678    H    ASN  74           H        ASN  74 -26.482 -11.530   9.113
  679    HA   ASN  74           HA       ASN  74 -26.188 -13.528  11.141
  680    HB2  ASN  74           HB2      ASN  74 -28.055 -11.804  10.796
  681    HB3  ASN  74           HB3      ASN  74 -28.678 -12.840   9.505
  682   HD21  ASN  74          HD21      ASN  74 -30.715 -13.845  12.309
  683   HD22  ASN  74          HD22      ASN  74 -30.612 -12.621  11.050
  684    H    ALA  75           H        ALA  75 -27.287 -15.736  11.044
  685    HA   ALA  75           HA       ALA  75 -25.893 -17.425   9.310
  686    HB1  ALA  75           HB1      ALA  75 -26.887 -18.058  11.485
  687    HB2  ALA  75           HB2      ALA  75 -28.520 -17.930  10.779
  688    HB3  ALA  75           HB3      ALA  75 -27.392 -19.177  10.207
  689    H    ASN  76           H        ASN  76 -29.151 -16.092   8.802
  690    HA   ASN  76           HA       ASN  76 -29.821 -17.706   6.497
  691    HB2  ASN  76           HB2      ASN  76 -31.456 -16.656   8.043
  692    HB3  ASN  76           HB3      ASN  76 -30.904 -15.050   7.550
  693   HD21  ASN  76          HD21      ASN  76 -33.248 -14.991   4.937
  694   HD22  ASN  76          HD22      ASN  76 -32.280 -14.114   6.117
  695    H    GLN  77           H        GLN  77 -27.809 -14.860   6.821
  696    HA   GLN  77           HA       GLN  77 -28.172 -13.961   4.041
  697    HB2  GLN  77           HB2      GLN  77 -27.974 -12.329   5.868
  698    HB3  GLN  77           HB3      GLN  77 -26.395 -12.971   6.306
  699    HG2  GLN  77           HG2      GLN  77 -26.188 -10.885   5.070
  700    HG3  GLN  77           HG3      GLN  77 -25.432 -12.208   4.181
  701   HE21  GLN  77          HE21      GLN  77 -28.854 -10.459   2.651
  702   HE22  GLN  77          HE22      GLN  77 -28.406 -10.145   4.320
  703    H    ALA  78           H        ALA  78 -26.930 -14.628   2.362
  704    HA   ALA  78           HA       ALA  78 -25.046 -16.781   2.730
  705    HB1  ALA  78           HB1      ALA  78 -24.876 -16.712   0.287
  706    HB2  ALA  78           HB2      ALA  78 -26.568 -16.611   0.796
  707    HB3  ALA  78           HB3      ALA  78 -25.711 -15.144   0.245
  708    H    PHE  79           H        PHE  79 -22.839 -16.825   2.697
  709    HA   PHE  79           HA       PHE  79 -21.258 -14.523   1.909
  710    HB2  PHE  79           HB2      PHE  79 -21.755 -13.658   3.990
  711    HB3  PHE  79           HB3      PHE  79 -21.605 -15.200   4.799
  712    HD1  PHE  79           HD1      PHE  79 -19.528 -15.962   5.728
  713    HD2  PHE  79           HD2      PHE  79 -19.639 -12.478   3.182
  714    HE1  PHE  79           HE1      PHE  79 -17.219 -15.368   6.422
  715    HE2  PHE  79           HE2      PHE  79 -17.321 -11.908   3.873
  716    HZ   PHE  79           HZ       PHE  79 -16.119 -13.352   5.497
  717    H    PHE  80           H        PHE  80 -19.226 -14.858   1.297
  718    HA   PHE  80           HA       PHE  80 -17.913 -17.475   1.878
  719    HB2  PHE  80           HB2      PHE  80 -18.341 -16.241  -0.879
  720    HB3  PHE  80           HB3      PHE  80 -17.358 -17.654  -0.532
  721    HD1  PHE  80           HD1      PHE  80 -18.334 -19.841  -0.152
  722    HD2  PHE  80           HD2      PHE  80 -20.823 -16.381  -0.788
  723    HE1  PHE  80           HE1      PHE  80 -20.294 -21.323  -0.526
  724    HE2  PHE  80           HE2      PHE  80 -22.781 -17.868  -1.161
  725    HZ   PHE  80           HZ       PHE  80 -22.520 -20.335  -1.026
  726    H    LEU  81           H        LEU  81 -15.696 -17.359   2.139
  727    HA   LEU  81           HA       LEU  81 -14.291 -14.836   1.320
  728    HB2  LEU  81           HB2      LEU  81 -13.503 -16.953   3.371
  729    HB3  LEU  81           HB3      LEU  81 -12.382 -15.765   2.720
  730    HG   LEU  81           HG       LEU  81 -14.821 -15.184   4.423
  731   HD11  LEU  81          HD11      LEU  81 -12.735 -16.021   5.572
  732   HD12  LEU  81          HD12      LEU  81 -11.868 -14.620   4.913
  733   HD13  LEU  81          HD13      LEU  81 -13.207 -14.381   6.053
  734   HD21  LEU  81          HD21      LEU  81 -14.652 -13.348   2.874
  735   HD22  LEU  81          HD22      LEU  81 -13.990 -12.805   4.409
  736   HD23  LEU  81          HD23      LEU  81 -12.881 -13.212   3.089
  737    H    LEU  82           H        LEU  82 -13.188 -14.895  -0.418
  738    HA   LEU  82           HA       LEU  82 -12.652 -17.469  -1.781
  739    HB2  LEU  82           HB2      LEU  82 -12.823 -14.738  -3.068
  740    HB3  LEU  82           HB3      LEU  82 -12.958 -16.310  -3.829
  741    HG   LEU  82           HG       LEU  82 -15.045 -15.030  -1.986
  742   HD11  LEU  82          HD11      LEU  82 -14.812 -13.926  -4.182
  743   HD12  LEU  82          HD12      LEU  82 -15.037 -15.486  -4.997
  744   HD13  LEU  82          HD13      LEU  82 -16.350 -14.776  -4.029
  745   HD21  LEU  82          HD21      LEU  82 -15.181 -17.463  -1.814
  746   HD22  LEU  82          HD22      LEU  82 -16.504 -16.889  -2.835
  747   HD23  LEU  82          HD23      LEU  82 -15.068 -17.634  -3.578
  748    H    VAL  83           H        VAL  83 -10.640 -17.985  -1.007
  749    HA   VAL  83           HA       VAL  83  -8.530 -16.007  -0.649
  750    HB   VAL  83           HB       VAL  83  -8.155 -19.006  -0.658
  751   HG11  VAL  83          HG11      VAL  83  -6.308 -18.468   0.861
  752   HG12  VAL  83          HG12      VAL  83  -6.101 -17.606  -0.664
  753   HG13  VAL  83          HG13      VAL  83  -6.701 -16.735   0.769
  754   HG21  VAL  83          HG21      VAL  83  -9.950 -18.629   0.924
  755   HG22  VAL  83          HG22      VAL  83  -8.459 -18.837   1.843
  756   HG23  VAL  83          HG23      VAL  83  -9.128 -17.204   1.602
  757    H    ASN  84           H        ASN  84  -7.143 -15.259  -2.120
  758    HA   ASN  84           HA       ASN  84  -6.498 -14.706  -4.242
  759    HB2  ASN  84           HB2      ASN  84  -4.898 -16.486  -3.509
  760    HB3  ASN  84           HB3      ASN  84  -5.849 -17.670  -4.408
  761   HD21  ASN  84          HD21      ASN  84  -3.270 -16.976  -6.790
  762   HD22  ASN  84          HD22      ASN  84  -3.714 -18.007  -5.416
  763    H    GLY  85           H        GLY  85  -9.240 -14.925  -4.084
  764    HA2  GLY  85           HA2      GLY  85 -10.949 -14.606  -5.606
  765    HA3  GLY  85           HA3      GLY  85  -9.939 -15.244  -6.899
  766    H    HIS  86           H        HIS  86  -9.979 -17.642  -4.486
  767    HA   HIS  86           HA       HIS  86 -12.417 -18.959  -5.647
  768    HB2  HIS  86           HB2      HIS  86  -9.681 -20.199  -5.177
  769    HB3  HIS  86           HB3      HIS  86 -11.130 -21.081  -5.658
  770    HD1  HIS  86           HD1      HIS  86  -8.330 -19.112  -7.193
  771    HD2  HIS  86           HD2      HIS  86 -12.333 -20.146  -8.076
  772    HE1  HIS  86           HE1      HIS  86  -8.656 -18.662  -9.709
  773    HE2  HIS  86           HE2      HIS  86 -11.092 -19.313 -10.246
  774    H    SER  87           H        SER  87 -13.740 -20.106  -4.352
  775    HA   SER  87           HA       SER  87 -13.815 -19.353  -1.620
  776    HB2  SER  87           HB2      SER  87 -15.820 -19.908  -2.906
  777    HB3  SER  87           HB3      SER  87 -15.310 -21.609  -2.987
  778    HG   SER  87           HG       SER  87 -16.729 -21.355  -1.260
  779    H    MET  88           H        MET  88 -13.277 -20.186   0.257
  780    HA   MET  88           HA       MET  88 -12.484 -23.061   0.483
  781    HB2  MET  88           HB2      MET  88 -11.000 -20.752   1.800
  782    HB3  MET  88           HB3      MET  88 -10.722 -22.465   2.108
  783    HG2  MET  88           HG2      MET  88 -10.174 -22.773  -0.317
  784    HG3  MET  88           HG3      MET  88 -10.251 -21.019  -0.514
  785    HE1  MET  88           HE1      MET  88  -7.823 -21.164  -1.587
  786    HE2  MET  88           HE2      MET  88  -6.412 -21.855  -0.757
  787    HE3  MET  88           HE3      MET  88  -7.738 -22.915  -1.278
  788    H    VAL  89           H        VAL  89 -15.033 -21.582   1.012
  789    HA   VAL  89           HA       VAL  89 -15.281 -20.849   3.671
  790    HB   VAL  89           HB       VAL  89 -16.823 -20.376   1.717
  791   HG11  VAL  89          HG11      VAL  89 -18.877 -21.687   1.559
  792   HG12  VAL  89          HG12      VAL  89 -17.488 -22.729   1.209
  793   HG13  VAL  89          HG13      VAL  89 -18.304 -22.825   2.786
  794   HG21  VAL  89          HG21      VAL  89 -17.160 -19.457   3.972
  795   HG22  VAL  89          HG22      VAL  89 -18.694 -19.833   3.172
  796   HG23  VAL  89          HG23      VAL  89 -18.079 -20.912   4.431
  797    H    SER  90           H        SER  90 -15.554 -24.147   2.523
  798    HA   SER  90           HA       SER  90 -16.652 -25.124   5.071
  799    HB2  SER  90           HB2      SER  90 -15.716 -26.597   2.581
  800    HB3  SER  90           HB3      SER  90 -16.559 -27.326   3.961
  801    HG   SER  90           HG       SER  90 -18.022 -26.783   2.282
  802    H    VAL  91           H        VAL  91 -13.455 -24.338   4.206
  803    HA   VAL  91           HA       VAL  91 -12.301 -26.796   5.243
  804    HB   VAL  91           HB       VAL  91 -11.526 -25.393   3.184
  805   HG11  VAL  91          HG11      VAL  91  -9.522 -24.098   3.556
  806   HG12  VAL  91          HG12      VAL  91 -10.837 -23.383   4.503
  807   HG13  VAL  91          HG13      VAL  91  -9.586 -24.367   5.303
  808   HG21  VAL  91          HG21      VAL  91  -9.666 -26.936   5.027
  809   HG22  VAL  91          HG22      VAL  91 -10.704 -27.592   3.748
  810   HG23  VAL  91          HG23      VAL  91  -9.348 -26.546   3.325
  811    H    SER  92           H        SER  92 -11.179 -27.283   7.009
  812    HA   SER  92           HA       SER  92 -11.389 -25.423   9.281
  813    HB2  SER  92           HB2      SER  92 -10.546 -28.338   9.115
  814    HB3  SER  92           HB3      SER  92 -10.758 -27.407  10.612
  815    HG   SER  92           HG       SER  92 -12.650 -28.612  10.064
  816    H    THR  93           H        THR  93  -8.896 -25.978   7.054
  817    HA   THR  93           HA       THR  93  -6.662 -26.443   8.483
  818    HB   THR  93           HB       THR  93  -6.473 -24.555   6.176
  819    HG1  THR  93           HG1      THR  93  -6.818 -26.366   4.824
  820   HG21  THR  93          HG21      THR  93  -4.372 -25.430   7.114
  821   HG22  THR  93          HG22      THR  93  -4.953 -27.098   6.897
  822   HG23  THR  93          HG23      THR  93  -4.646 -26.058   5.489
  823    HA   PRO  94           HA       PRO  94  -5.405 -22.825  10.860
  824    HB2  PRO  94           HB2      PRO  94  -2.646 -23.889  10.226
  825    HB3  PRO  94           HB3      PRO  94  -3.279 -23.243  11.774
  826    HG2  PRO  94           HG2      PRO  94  -3.121 -25.914  11.424
  827    HG3  PRO  94           HG3      PRO  94  -4.608 -25.211  12.138
  828    HD2  PRO  94           HD2      PRO  94  -4.119 -26.082   9.278
  829    HD3  PRO  94           HD3      PRO  94  -5.528 -26.402  10.331
  830    H    ILE  95           H        ILE  95  -4.832 -20.728  10.364
  831    HA   ILE  95           HA       ILE  95  -4.937 -20.016   7.664
  832    HB   ILE  95           HB       ILE  95  -5.755 -18.608   9.486
  833   HG12  ILE  95          HG12      ILE  95  -5.019 -16.393   8.731
  834   HG13  ILE  95          HG13      ILE  95  -3.658 -17.088   7.860
  835   HG21  ILE  95          HG21      ILE  95  -3.895 -18.916  11.116
  836   HG22  ILE  95          HG22      ILE  95  -2.827 -17.941  10.088
  837   HG23  ILE  95          HG23      ILE  95  -4.252 -17.223  10.849
  838   HD11  ILE  95          HD11      ILE  95  -6.598 -17.665   7.258
  839   HD12  ILE  95          HD12      ILE  95  -5.600 -16.466   6.416
  840   HD13  ILE  95          HD13      ILE  95  -5.200 -18.186   6.286
  841    H    SER  96           H        SER  96  -1.946 -20.400   9.601
  842    HA   SER  96           HA       SER  96  -0.151 -19.194   7.772
  843    HB2  SER  96           HB2      SER  96   0.238 -21.560   9.634
  844    HB3  SER  96           HB3      SER  96   1.547 -20.752   8.733
  845    HG   SER  96           HG       SER  96   1.407 -19.790  10.730
  846    H    GLU  97           H        GLU  97  -1.558 -22.493   7.660
  847    HA   GLU  97           HA       GLU  97   0.159 -23.393   5.469
  848    HB2  GLU  97           HB2      GLU  97  -2.505 -24.446   6.475
  849    HB3  GLU  97           HB3      GLU  97  -1.441 -25.292   5.362
  850    HG2  GLU  97           HG2      GLU  97  -0.810 -24.581   8.267
  851    HG3  GLU  97           HG3      GLU  97  -1.333 -26.149   7.681
  852    H    VAL  98           H        VAL  98  -3.159 -22.097   5.722
  853    HA   VAL  98           HA       VAL  98  -3.798 -22.103   2.906
  854    HB   VAL  98           HB       VAL  98  -4.732 -20.237   5.125
  855   HG11  VAL  98          HG11      VAL  98  -5.233 -19.226   2.950
  856   HG12  VAL  98          HG12      VAL  98  -5.934 -20.760   2.379
  857   HG13  VAL  98          HG13      VAL  98  -6.715 -19.841   3.685
  858   HG21  VAL  98          HG21      VAL  98  -6.750 -21.684   5.171
  859   HG22  VAL  98          HG22      VAL  98  -5.977 -22.784   4.015
  860   HG23  VAL  98          HG23      VAL  98  -5.297 -22.570   5.642
  861    H    TYR  99           H        TYR  99  -2.178 -19.721   5.013
  862    HA   TYR  99           HA       TYR  99  -1.671 -17.787   3.033
  863    HB2  TYR  99           HB2      TYR  99  -1.603 -17.072   5.217
  864    HB3  TYR  99           HB3      TYR  99  -0.483 -18.321   5.708
  865    HD1  TYR  99           HD1      TYR  99   1.939 -18.157   5.349
  866    HD2  TYR  99           HD2      TYR  99  -0.778 -15.021   4.197
  867    HE1  TYR  99           HE1      TYR  99   3.847 -16.573   5.141
  868    HE2  TYR  99           HE2      TYR  99   1.118 -13.450   3.946
  869    HH   TYR  99           HH       TYR  99   3.395 -13.244   3.917
  870    H    GLU 100           H        GLU 100   0.771 -20.234   4.122
  871    HA   GLU 100           HA       GLU 100   2.598 -19.459   2.068
  872    HB2  GLU 100           HB2      GLU 100   2.254 -22.110   3.523
  873    HB3  GLU 100           HB3      GLU 100   3.606 -21.757   2.462
  874    HG2  GLU 100           HG2      GLU 100   2.936 -20.234   5.009
  875    HG3  GLU 100           HG3      GLU 100   4.141 -21.500   4.858
  876    H    SER 101           H        SER 101  -0.250 -21.495   1.804
  877    HA   SER 101           HA       SER 101   0.404 -22.653  -0.767
  878    HB2  SER 101           HB2      SER 101  -1.215 -23.632   0.797
  879    HB3  SER 101           HB3      SER 101  -2.275 -22.226   0.596
  880    HG   SER 101           HG       SER 101  -2.825 -24.065  -0.753
  881    H    GLU 102           H        GLU 102  -1.264 -19.625   0.190
  882    HA   GLU 102           HA       GLU 102  -1.622 -18.922  -2.702
  883    HB2  GLU 102           HB2      GLU 102  -3.507 -18.557  -0.373
  884    HB3  GLU 102           HB3      GLU 102  -3.761 -17.814  -1.942
  885    HG2  GLU 102           HG2      GLU 102  -3.656 -20.799  -1.372
  886    HG3  GLU 102           HG3      GLU 102  -5.099 -19.836  -1.621
  887    H    LYS 103           H        LYS 103   0.200 -17.909  -0.224
  888    HA   LYS 103           HA       LYS 103   0.175 -15.120  -0.137
  889    HB2  LYS 103           HB2      LYS 103   1.595 -16.507   1.233
  890    HB3  LYS 103           HB3      LYS 103   2.423 -17.154  -0.186
  891    HG2  LYS 103           HG2      LYS 103   3.389 -14.822  -0.556
  892    HG3  LYS 103           HG3      LYS 103   2.595 -14.338   0.951
  893    HD2  LYS 103           HD2      LYS 103   4.846 -14.898   1.566
  894    HD3  LYS 103           HD3      LYS 103   3.857 -16.266   2.098
  895    HE2  LYS 103           HE2      LYS 103   4.462 -17.407  -0.137
  896    HE3  LYS 103           HE3      LYS 103   5.589 -16.077  -0.415
  897    HZ1  LYS 103           HZ1      LYS 103   6.732 -17.945   0.587
  898    HZ2  LYS 103           HZ2      LYS 103   6.704 -16.755   1.708
  899    HZ3  LYS 103           HZ3      LYS 103   5.676 -18.048   1.825
  900    H    ASP 104           H        ASP 104   0.598 -13.496  -1.466
  901    HA   ASP 104           HA       ASP 104   1.077 -14.053  -4.325
  902    HB2  ASP 104           HB2      ASP 104  -0.831 -12.703  -3.387
  903    HB3  ASP 104           HB3      ASP 104   0.344 -11.482  -2.884
  904    H    GLU 105           H        GLU 105   2.287 -12.035  -5.376
  905    HA   GLU 105           HA       GLU 105   4.918 -12.553  -5.399
  906    HB2  GLU 105           HB2      GLU 105   3.558  -9.878  -5.936
  907    HB3  GLU 105           HB3      GLU 105   5.215 -10.218  -6.413
  908    HG2  GLU 105           HG2      GLU 105   2.787 -11.789  -7.377
  909    HG3  GLU 105           HG3      GLU 105   3.574 -10.478  -8.246
  910    H    ASP 106           H        ASP 106   3.637 -10.094  -3.160
  911    HA   ASP 106           HA       ASP 106   6.366  -9.765  -2.084
  912    HB2  ASP 106           HB2      ASP 106   4.445  -7.605  -2.764
  913    HB3  ASP 106           HB3      ASP 106   5.695  -7.380  -1.539
  914    H    GLY 107           H        GLY 107   4.359 -11.600  -1.100
  915    HA2  GLY 107           HA2      GLY 107   4.633 -12.643   0.971
  916    HA3  GLY 107           HA3      GLY 107   5.168 -11.137   1.702
  917    H    PHE 108           H        PHE 108   2.351 -10.253   0.254
  918    HA   PHE 108           HA       PHE 108   0.687 -10.850   2.612
  919    HB2  PHE 108           HB2      PHE 108  -0.989  -9.314   1.371
  920    HB3  PHE 108           HB3      PHE 108   0.367  -8.693   2.285
  921    HD1  PHE 108           HD1      PHE 108   0.090 -10.018  -1.239
  922    HD2  PHE 108           HD2      PHE 108   1.116  -6.697   1.303
  923    HE1  PHE 108           HE1      PHE 108   0.982  -8.794  -3.205
  924    HE2  PHE 108           HE2      PHE 108   1.993  -5.475  -0.666
  925    HZ   PHE 108           HZ       PHE 108   1.960  -6.517  -2.903
  926    H    LEU 109           H        LEU 109  -1.443 -11.691   2.581
  927    HA   LEU 109           HA       LEU 109  -2.014 -13.521   0.265
  928    HB2  LEU 109           HB2      LEU 109  -1.706 -14.687   2.326
  929    HB3  LEU 109           HB3      LEU 109  -2.777 -13.582   3.198
  930    HG   LEU 109           HG       LEU 109  -4.685 -14.492   1.717
  931   HD11  LEU 109          HD11      LEU 109  -4.256 -16.747   0.771
  932   HD12  LEU 109          HD12      LEU 109  -3.306 -15.510  -0.059
  933   HD13  LEU 109          HD13      LEU 109  -2.530 -16.578   1.135
  934   HD21  LEU 109          HD21      LEU 109  -4.442 -15.171   4.049
  935   HD22  LEU 109          HD22      LEU 109  -4.903 -16.568   3.054
  936   HD23  LEU 109          HD23      LEU 109  -3.226 -16.381   3.609
  937    H    TYR 110           H        TYR 110  -3.910 -13.289  -0.881
  938    HA   TYR 110           HA       TYR 110  -5.732 -11.096  -0.062
  939    HB2  TYR 110           HB2      TYR 110  -5.030 -12.129  -2.775
  940    HB3  TYR 110           HB3      TYR 110  -6.549 -11.308  -2.490
  941    HD1  TYR 110           HD1      TYR 110  -6.701  -8.936  -2.325
  942    HD2  TYR 110           HD2      TYR 110  -2.842 -10.876  -2.266
  943    HE1  TYR 110           HE1      TYR 110  -5.578  -6.739  -2.649
  944    HE2  TYR 110           HE2      TYR 110  -1.739  -8.676  -2.571
  945    HH   TYR 110           HH       TYR 110  -2.020  -6.440  -2.941
  946    H    MET 111           H        MET 111  -7.808 -11.267   0.395
  947    HA   MET 111           HA       MET 111  -9.271 -13.755  -0.401
  948    HB2  MET 111           HB2      MET 111  -9.619 -12.249   2.222
  949    HB3  MET 111           HB3      MET 111 -10.566 -13.628   1.663
  950    HG2  MET 111           HG2      MET 111  -8.372 -14.947   1.611
  951    HG3  MET 111           HG3      MET 111  -7.643 -13.595   2.482
  952    HE1  MET 111           HE1      MET 111  -6.839 -15.427   4.260
  953    HE2  MET 111           HE2      MET 111  -7.954 -16.488   5.134
  954    HE3  MET 111           HE3      MET 111  -7.703 -16.710   3.393
  955    H    VAL 112           H        VAL 112 -10.751 -13.171  -1.930
  956    HA   VAL 112           HA       VAL 112 -12.012 -10.456  -1.785
  957    HB   VAL 112           HB       VAL 112 -12.335 -12.675  -3.833
  958   HG11  VAL 112          HG11      VAL 112 -13.484  -9.853  -3.803
  959   HG12  VAL 112          HG12      VAL 112 -13.537 -10.978  -5.180
  960   HG13  VAL 112          HG13      VAL 112 -14.408 -11.372  -3.694
  961   HG21  VAL 112          HG21      VAL 112 -11.148 -11.108  -5.335
  962   HG22  VAL 112          HG22      VAL 112 -10.929  -9.972  -3.989
  963   HG23  VAL 112          HG23      VAL 112 -10.132 -11.560  -3.964
  964    H    TYR 113           H        TYR 113 -14.325 -10.264  -1.155
  965    HA   TYR 113           HA       TYR 113 -15.502 -12.885  -0.218
  966    HB2  TYR 113           HB2      TYR 113 -16.168 -12.021   1.793
  967    HB3  TYR 113           HB3      TYR 113 -14.535 -11.407   1.624
  968    HD1  TYR 113           HD1      TYR 113 -18.097 -10.569   1.841
  969    HD2  TYR 113           HD2      TYR 113 -14.134  -9.005   1.280
  970    HE1  TYR 113           HE1      TYR 113 -18.899  -8.289   2.504
  971    HE2  TYR 113           HE2      TYR 113 -14.915  -6.746   2.022
  972    HH   TYR 113           HH       TYR 113 -16.698  -5.621   3.118
  973    H    ALA 114           H        ALA 114 -17.713 -13.103  -0.323
  974    HA   ALA 114           HA       ALA 114 -19.306 -11.099  -1.801
  975    HB1  ALA 114           HB1      ALA 114 -17.775 -12.289  -3.469
  976    HB2  ALA 114           HB2      ALA 114 -18.587 -13.798  -3.046
  977    HB3  ALA 114           HB3      ALA 114 -19.503 -12.469  -3.800
  978    H    SER 115           H        SER 115 -21.521 -11.738  -2.182
  979    HA   SER 115           HA       SER 115 -22.741 -13.559  -0.263
  980    HB2  SER 115           HB2      SER 115 -24.817 -12.868  -1.585
  981    HB3  SER 115           HB3      SER 115 -23.910 -11.560  -0.798
  982    HG   SER 115           HG       SER 115 -24.291 -12.046  -3.494
  983    H    GLN 116           H        GLN 116 -21.546 -13.820  -3.510
  984    HA   GLN 116           HA       GLN 116 -21.940 -16.703  -3.560
  985    HB2  GLN 116           HB2      GLN 116 -23.064 -16.831  -5.655
  986    HB3  GLN 116           HB3      GLN 116 -24.050 -15.840  -4.597
  987    HG2  GLN 116           HG2      GLN 116 -22.269 -14.835  -6.857
  988    HG3  GLN 116           HG3      GLN 116 -24.011 -15.017  -6.928
  989   HE21  GLN 116          HE21      GLN 116 -22.427 -11.679  -5.214
  990   HE22  GLN 116          HE22      GLN 116 -21.379 -12.975  -5.821
  991    H    GLU 117           H        GLU 117 -20.369 -17.703  -4.980
  992    HA   GLU 117           HA       GLU 117 -17.927 -16.319  -4.971
  993    HB2  GLU 117           HB2      GLU 117 -18.170 -18.732  -4.799
  994    HB3  GLU 117           HB3      GLU 117 -18.698 -18.840  -6.487
  995    HG2  GLU 117           HG2      GLU 117 -16.520 -18.202  -7.291
  996    HG3  GLU 117           HG3      GLU 117 -16.002 -17.697  -5.685
  997    H    THR 118           H        THR 118 -20.121 -16.735  -7.745
  998    HA   THR 118           HA       THR 118 -18.837 -14.472  -9.026
  999    HB   THR 118           HB       THR 118 -18.338 -15.223 -11.094
 1000    HG1  THR 118           HG1      THR 118 -19.040 -17.171 -11.967
 1001   HG21  THR 118          HG21      THR 118 -16.927 -17.213 -11.025
 1002   HG22  THR 118          HG22      THR 118 -16.653 -16.224  -9.590
 1003   HG23  THR 118          HG23      THR 118 -17.640 -17.704  -9.470
 1004    H    PHE 119           H        PHE 119 -20.060 -13.321 -10.550
 1005    HA   PHE 119           HA       PHE 119 -22.890 -14.112 -10.946
 1006    HB2  PHE 119           HB2      PHE 119 -22.845 -12.930  -8.773
 1007    HB3  PHE 119           HB3      PHE 119 -22.072 -11.553  -9.541
 1008    HD1  PHE 119           HD1      PHE 119 -23.334  -9.960 -10.903
 1009    HD2  PHE 119           HD2      PHE 119 -25.203 -13.467  -9.231
 1010    HE1  PHE 119           HE1      PHE 119 -25.578  -9.004 -11.408
 1011    HE2  PHE 119           HE2      PHE 119 -27.450 -12.507  -9.742
 1012    HZ   PHE 119           HZ       PHE 119 -27.634 -10.277 -10.825
 1013    H    GLY 120           H        GLY 120 -20.307 -11.740 -11.640
 1014    HA2  GLY 120           HA2      GLY 120 -20.603 -11.881 -14.452
 1015    HA3  GLY 120           HA3      GLY 120 -21.470 -10.447 -13.902
 1016    H1   ASP  10           H1       ASP  10 -10.058   0.396  21.243
 1017    H2   ASP  10           H2       ASP  10 -10.357  -1.171  21.636
 1018    H3   ASP  10           H3       ASP  10  -8.822  -0.688  21.294
 1019    HA   ASP  10           HA       ASP  10  -9.791  -1.909  19.464
 1020    HB2  ASP  10           HB2      ASP  10 -11.565  -0.773  18.071
 1021    HB3  ASP  10           HB3      ASP  10 -12.064  -1.531  19.573
 1022    H    TYR  11           H        TYR  11  -9.387  -1.454  17.177
 1023    HA   TYR  11           HA       TYR  11  -8.197   1.148  16.458
 1024    HB2  TYR  11           HB2      TYR  11  -6.387  -0.484  17.616
 1025    HB3  TYR  11           HB3      TYR  11  -6.365  -1.250  16.048
 1026    HD1  TYR  11           HD1      TYR  11  -4.918   1.228  18.060
 1027    HD2  TYR  11           HD2      TYR  11  -6.086   0.516  13.959
 1028    HE1  TYR  11           HE1      TYR  11  -3.341   2.995  17.298
 1029    HE2  TYR  11           HE2      TYR  11  -4.539   2.325  13.222
 1030    HH   TYR  11           HH       TYR  11  -2.935   3.855  13.840
 1031    H    GLU  12           H        GLU  12  -8.232  -2.368  15.502
 1032    HA   GLU  12           HA       GLU  12  -8.706  -3.437  13.603
 1033    HB2  GLU  12           HB2      GLU  12 -10.982  -2.366  14.320
 1034    HB3  GLU  12           HB3      GLU  12 -10.831  -1.465  12.794
 1035    HG2  GLU  12           HG2      GLU  12 -10.528  -3.719  11.647
 1036    HG3  GLU  12           HG3      GLU  12 -10.764  -4.496  13.219
 1037    H    SER  13           H        SER  13  -9.638  -1.711  10.996
 1038    HA   SER  13           HA       SER  13  -6.860  -1.785  10.048
 1039    HB2  SER  13           HB2      SER  13  -8.500  -2.926   8.748
 1040    HB3  SER  13           HB3      SER  13  -9.426  -1.429   8.508
 1041    HG   SER  13           HG       SER  13  -8.000  -1.860   6.750
 1042    H    ASP  14           H        ASP  14  -5.588  -0.200  10.241
 1043    HA   ASP  14           HA       ASP  14  -5.803   2.056   8.621
 1044    HB2  ASP  14           HB2      ASP  14  -6.252   2.681  11.497
 1045    HB3  ASP  14           HB3      ASP  14  -5.229   3.773  10.565
 1046    H    ASP  15           H        ASP  15  -3.634   2.037  11.503
 1047    HA   ASP  15           HA       ASP  15  -1.402   1.563   9.645
 1048    HB2  ASP  15           HB2      ASP  15  -0.346   3.752  10.379
 1049    HB3  ASP  15           HB3      ASP  15  -1.670   3.795   9.234
 1050    H    ASP  16           H        ASP  16   0.651   1.412  10.303
 1051    HA   ASP  16           HA       ASP  16   2.318   0.532  11.463
 1052    HB2  ASP  16           HB2      ASP  16   2.742   2.755  11.682
 1053    HB3  ASP  16           HB3      ASP  16   1.538   2.980  12.945
 1054    H    SER  17           H        SER  17   0.914   1.265  14.609
 1055    HA   SER  17           HA       SER  17   1.888  -1.341  15.537
 1056    HB2  SER  17           HB2      SER  17   2.268   0.906  16.663
 1057    HB3  SER  17           HB3      SER  17   0.567   0.858  17.155
 1058    HG   SER  17           HG       SER  17   2.024   0.021  18.759
 1059    H    TYR  18           H        TYR  18  -0.841  -0.679  14.011
 1060    HA   TYR  18           HA       TYR  18  -2.979  -1.103  15.606
 1061    HB2  TYR  18           HB2      TYR  18  -4.231  -1.781  13.551
 1062    HB3  TYR  18           HB3      TYR  18  -3.363  -0.268  13.542
 1063    HD1  TYR  18           HD1      TYR  18  -0.938  -2.906  12.862
 1064    HD2  TYR  18           HD2      TYR  18  -4.141  -0.580  11.193
 1065    HE1  TYR  18           HE1      TYR  18  -0.123  -3.434  10.597
 1066    HE2  TYR  18           HE2      TYR  18  -3.348  -1.147   8.879
 1067    HH   TYR  18           HH       TYR  18  -0.461  -3.209   8.316
 1068    H    GLU  19           H        GLU  19  -4.415  -2.549  16.313
 1069    HA   GLU  19           HA       GLU  19  -3.761  -5.441  15.990
 1070    HB2  GLU  19           HB2      GLU  19  -4.014  -4.665  18.288
 1071    HB3  GLU  19           HB3      GLU  19  -5.633  -4.054  17.946
 1072    HG2  GLU  19           HG2      GLU  19  -5.494  -6.324  19.116
 1073    HG3  GLU  19           HG3      GLU  19  -6.522  -6.250  17.698
 1074    H    VAL  20           H        VAL  20  -4.384  -5.319  13.729
 1075    HA   VAL  20           HA       VAL  20  -6.856  -4.254  12.940
 1076    HB   VAL  20           HB       VAL  20  -5.376  -6.252  11.260
 1077   HG11  VAL  20          HG11      VAL  20  -7.181  -3.876  10.640
 1078   HG12  VAL  20          HG12      VAL  20  -6.273  -4.788   9.425
 1079   HG13  VAL  20          HG13      VAL  20  -7.564  -5.561  10.351
 1080   HG21  VAL  20          HG21      VAL  20  -4.160  -4.297  10.329
 1081   HG22  VAL  20          HG22      VAL  20  -4.894  -3.267  11.574
 1082   HG23  VAL  20          HG23      VAL  20  -3.742  -4.546  12.022
 1083    H    LEU  21           H        LEU  21  -6.308  -7.582  13.992
 1084    HA   LEU  21           HA       LEU  21  -8.966  -8.468  13.042
 1085    HB2  LEU  21           HB2      LEU  21  -6.818  -9.906  13.368
 1086    HB3  LEU  21           HB3      LEU  21  -7.166  -9.806  15.089
 1087    HG   LEU  21           HG       LEU  21  -9.423 -10.904  14.594
 1088   HD11  LEU  21          HD11      LEU  21  -9.636 -12.122  12.442
 1089   HD12  LEU  21          HD12      LEU  21  -9.616 -10.376  12.168
 1090   HD13  LEU  21          HD13      LEU  21  -8.158 -11.342  11.846
 1091   HD21  LEU  21          HD21      LEU  21  -7.473 -12.189  15.404
 1092   HD22  LEU  21          HD22      LEU  21  -8.460 -13.147  14.283
 1093   HD23  LEU  21          HD23      LEU  21  -6.934 -12.415  13.727
 1094    H    ASP  22           H        ASP  22  -7.929  -6.392  15.427
 1095    HA   ASP  22           HA       ASP  22  -8.608  -5.630  17.383
 1096    HB2  ASP  22           HB2      ASP  22  -9.939  -4.491  15.756
 1097    HB3  ASP  22           HB3      ASP  22 -11.180  -5.735  15.846
 1098    H    LEU  23           H        LEU  23  -8.098  -8.214  17.837
 1099    HA   LEU  23           HA       LEU  23  -9.721  -8.716  20.220
 1100    HB2  LEU  23           HB2      LEU  23 -10.253 -10.992  19.765
 1101    HB3  LEU  23           HB3      LEU  23 -10.856  -9.996  18.461
 1102    HG   LEU  23           HG       LEU  23  -8.676 -10.758  17.173
 1103   HD11  LEU  23          HD11      LEU  23  -7.505 -12.003  18.951
 1104   HD12  LEU  23          HD12      LEU  23  -8.951 -12.985  19.256
 1105   HD13  LEU  23          HD13      LEU  23  -8.058 -13.136  17.733
 1106   HD21  LEU  23          HD21      LEU  23 -10.968 -11.354  16.552
 1107   HD22  LEU  23          HD22      LEU  23  -9.912 -12.765  16.376
 1108   HD23  LEU  23          HD23      LEU  23 -10.996 -12.645  17.776
 1109    H    THR  24           H        THR  24  -8.671  -9.917  21.829
 1110    HA   THR  24           HA       THR  24  -5.695 -10.093  21.660
 1111    HB   THR  24           HB       THR  24  -6.142 -10.913  24.121
 1112    HG1  THR  24           HG1      THR  24  -8.367 -11.150  24.069
 1113   HG21  THR  24          HG21      THR  24  -6.782  -8.047  23.308
 1114   HG22  THR  24          HG22      THR  24  -6.278  -8.592  24.926
 1115   HG23  THR  24          HG23      THR  24  -5.158  -8.728  23.562
 1116    H    GLU  25           H        GLU  25  -4.968 -11.932  20.765
 1117    HA   GLU  25           HA       GLU  25  -6.448 -14.400  20.631
 1118    HB2  GLU  25           HB2      GLU  25  -4.548 -15.277  19.517
 1119    HB3  GLU  25           HB3      GLU  25  -4.825 -13.656  18.917
 1120    HG2  GLU  25           HG2      GLU  25  -2.696 -14.423  20.975
 1121    HG3  GLU  25           HG3      GLU  25  -2.430 -14.305  19.246
 1122    H    TYR  26           H        TYR  26  -5.689 -16.470  21.397
 1123    HA   TYR  26           HA       TYR  26  -4.224 -16.489  23.944
 1124    HB2  TYR  26           HB2      TYR  26  -6.977 -17.593  23.548
 1125    HB3  TYR  26           HB3      TYR  26  -5.885 -18.241  24.756
 1126    HD1  TYR  26           HD1      TYR  26  -8.059 -15.425  23.917
 1127    HD2  TYR  26           HD2      TYR  26  -5.004 -16.836  26.621
 1128    HE1  TYR  26           HE1      TYR  26  -8.672 -13.642  25.545
 1129    HE2  TYR  26           HE2      TYR  26  -5.609 -15.042  28.245
 1130    HH   TYR  26           HH       TYR  26  -6.985 -13.258  28.688
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -9.813   5.879   6.054
    2    H2   MET   1           H2       MET   1  -8.779   5.267   7.167
    3    H3   MET   1           H3       MET   1  -8.229   6.238   5.982
    4    HA   MET   1           HA       MET   1  -8.741   4.687   4.264
    5    HB2  MET   1           HB2      MET   1  -6.879   3.641   6.401
    6    HB3  MET   1           HB3      MET   1  -7.253   2.686   4.969
    7    HG2  MET   1           HG2      MET   1  -6.624   4.734   3.585
    8    HG3  MET   1           HG3      MET   1  -5.907   5.389   5.065
    9    HE1  MET   1           HE1      MET   1  -2.930   2.931   5.741
   10    HE2  MET   1           HE2      MET   1  -3.778   4.415   6.242
   11    HE3  MET   1           HE3      MET   1  -4.542   2.818   6.485
   12    HA   PRO   2           HA       PRO   2 -10.428   0.588   5.793
   13    HB2  PRO   2           HB2      PRO   2 -11.539   1.030   8.547
   14    HB3  PRO   2           HB3      PRO   2 -10.676  -0.386   7.876
   15    HG2  PRO   2           HG2      PRO   2  -9.389   1.311   9.518
   16    HG3  PRO   2           HG3      PRO   2  -8.576   0.706   8.043
   17    HD2  PRO   2           HD2      PRO   2 -10.036   3.332   8.425
   18    HD3  PRO   2           HD3      PRO   2  -8.383   3.032   7.798
   19    H    SER   3           H        SER   3 -12.413   3.330   6.964
   20    HA   SER   3           HA       SER   3 -14.893   1.973   6.928
   21    HB2  SER   3           HB2      SER   3 -14.509   3.983   8.216
   22    HB3  SER   3           HB3      SER   3 -14.319   4.939   6.735
   23    HG   SER   3           HG       SER   3 -16.454   5.065   7.675
   24    H    GLU   4           H        GLU   4 -16.196   1.342   5.440
   25    HA   GLU   4           HA       GLU   4 -17.464   1.066   3.615
   26    HB2  GLU   4           HB2      GLU   4 -17.190   4.077   3.502
   27    HB3  GLU   4           HB3      GLU   4 -18.306   3.148   2.499
   28    HG2  GLU   4           HG2      GLU   4 -19.361   2.172   4.517
   29    HG3  GLU   4           HG3      GLU   4 -18.302   3.145   5.543
   30    H    LYS   5           H        LYS   5 -14.363   2.234   2.829
   31    HA   LYS   5           HA       LYS   5 -14.581   1.269   0.004
   32    HB2  LYS   5           HB2      LYS   5 -13.350   3.875   0.994
   33    HB3  LYS   5           HB3      LYS   5 -13.105   3.225  -0.634
   34    HG2  LYS   5           HG2      LYS   5 -15.555   3.335  -1.042
   35    HG3  LYS   5           HG3      LYS   5 -15.777   4.062   0.562
   36    HD2  LYS   5           HD2      LYS   5 -14.318   5.959  -0.086
   37    HD3  LYS   5           HD3      LYS   5 -14.106   5.242  -1.700
   38    HE2  LYS   5           HE2      LYS   5 -16.564   5.361  -2.077
   39    HE3  LYS   5           HE3      LYS   5 -16.781   6.074  -0.475
   40    HZ1  LYS   5           HZ1      LYS   5 -15.433   7.982  -1.212
   41    HZ2  LYS   5           HZ2      LYS   5 -15.247   7.330  -2.696
   42    HZ3  LYS   5           HZ3      LYS   5 -16.723   7.794  -2.194
   43    H    THR   6           H        THR   6 -12.298   1.093  -0.995
   44    HA   THR   6           HA       THR   6 -10.798  -0.673   0.804
   45    HB   THR   6           HB       THR   6  -9.820  -1.717  -0.907
   46    HG1  THR   6           HG1      THR   6  -9.571  -0.677  -2.996
   47   HG21  THR   6          HG21      THR   6 -12.307  -1.896  -1.270
   48   HG22  THR   6          HG22      THR   6 -12.178  -0.589  -2.477
   49   HG23  THR   6          HG23      THR   6 -11.339  -2.126  -2.734
   50    H    PHE   7           H        PHE   7  -8.281  -0.636   0.717
   51    HA   PHE   7           HA       PHE   7  -7.406   2.046   1.475
   52    HB2  PHE   7           HB2      PHE   7  -5.158   0.987   1.736
   53    HB3  PHE   7           HB3      PHE   7  -6.456   0.315   2.712
   54    HD1  PHE   7           HD1      PHE   7  -4.596  -0.234  -0.496
   55    HD2  PHE   7           HD2      PHE   7  -6.942  -2.003   2.663
   56    HE1  PHE   7           HE1      PHE   7  -4.296  -2.490  -1.517
   57    HE2  PHE   7           HE2      PHE   7  -6.624  -4.237   1.660
   58    HZ   PHE   7           HZ       PHE   7  -5.295  -4.488  -0.442
   59    H    LYS   8           H        LYS   8  -7.738   0.662  -1.650
   60    HA   LYS   8           HA       LYS   8  -5.313   1.637  -2.838
   61    HB2  LYS   8           HB2      LYS   8  -6.777  -0.121  -3.803
   62    HB3  LYS   8           HB3      LYS   8  -8.036   1.077  -4.088
   63    HG2  LYS   8           HG2      LYS   8  -6.875   0.525  -6.140
   64    HG3  LYS   8           HG3      LYS   8  -6.650   2.221  -5.753
   65    HD2  LYS   8           HD2      LYS   8  -4.372   1.678  -4.825
   66    HD3  LYS   8           HD3      LYS   8  -4.602  -0.009  -5.292
   67    HE2  LYS   8           HE2      LYS   8  -4.584   2.412  -7.170
   68    HE3  LYS   8           HE3      LYS   8  -3.195   1.370  -6.860
   69    HZ1  LYS   8           HZ1      LYS   8  -4.298   0.697  -8.890
   70    HZ2  LYS   8           HZ2      LYS   8  -4.474  -0.508  -7.805
   71    HZ3  LYS   8           HZ3      LYS   8  -5.736   0.481  -8.148
   72    H    GLN   9           H        GLN   9  -8.179   3.333  -1.932
   73    HA   GLN   9           HA       GLN   9  -7.860   5.761  -3.374
   74    HB2  GLN   9           HB2      GLN   9  -9.354   6.668  -1.762
   75    HB3  GLN   9           HB3      GLN   9  -9.812   4.969  -1.926
   76    HG2  GLN   9           HG2      GLN   9  -8.475   4.478   0.169
   77    HG3  GLN   9           HG3      GLN   9  -8.186   6.205   0.349
   78   HE21  GLN   9          HE21      GLN   9 -11.567   4.744   1.853
   79   HE22  GLN   9          HE22      GLN   9 -10.299   3.695   1.218
   80    H    ARG  10           H        ARG  10  -5.753   4.393  -1.016
   81    HA   ARG  10           HA       ARG  10  -4.322   6.973  -0.533
   82    HB2  ARG  10           HB2      ARG  10  -5.948   6.253   1.330
   83    HB3  ARG  10           HB3      ARG  10  -4.920   4.851   1.566
   84    HG2  ARG  10           HG2      ARG  10  -4.211   6.372   3.213
   85    HG3  ARG  10           HG3      ARG  10  -2.982   6.552   1.958
   86    HD2  ARG  10           HD2      ARG  10  -4.226   8.553   1.095
   87    HD3  ARG  10           HD3      ARG  10  -5.421   8.337   2.400
   88    HE   ARG  10           HE       ARG  10  -2.871   8.480   3.619
   89   HH11  ARG  10          HH11      ARG  10  -4.932  10.674   1.813
   90   HH12  ARG  10          HH12      ARG  10  -4.254  12.087   2.573
   91   HH21  ARG  10          HH21      ARG  10  -2.061  10.327   4.566
   92   HH22  ARG  10          HH22      ARG  10  -2.673  11.884   4.093
   93    H    ARG  11           H        ARG  11  -3.985   3.368  -0.212
   94    HA   ARG  11           HA       ARG  11  -1.036   3.672  -0.117
   95    HB2  ARG  11           HB2      ARG  11  -2.994   1.445   0.549
   96    HB3  ARG  11           HB3      ARG  11  -1.278   1.115   0.419
   97    HG2  ARG  11           HG2      ARG  11  -2.261   3.332   2.243
   98    HG3  ARG  11           HG3      ARG  11  -2.277   1.643   2.766
   99    HD2  ARG  11           HD2      ARG  11   0.112   1.420   2.445
  100    HD3  ARG  11           HD3      ARG  11   0.221   3.011   1.711
  101    HE   ARG  11           HE       ARG  11  -0.234   2.402   4.595
  102   HH11  ARG  11          HH11      ARG  11   0.332   3.820   6.065
  103   HH12  ARG  11          HH12      ARG  11   0.868   5.433   5.628
  104   HH21  ARG  11          HH21      ARG  11   0.651   4.888   2.224
  105   HH22  ARG  11          HH22      ARG  11   1.018   6.017   3.496
  106    H    THR  12           H        THR  12   0.364   2.293  -1.230
  107    HA   THR  12           HA       THR  12  -0.459   1.275  -3.922
  108    HB   THR  12           HB       THR  12   1.644   2.291  -4.808
  109    HG1  THR  12           HG1      THR  12   2.891   3.455  -3.598
  110   HG21  THR  12          HG21      THR  12  -0.533   3.486  -5.091
  111   HG22  THR  12          HG22      THR  12  -0.191   4.410  -3.609
  112   HG23  THR  12          HG23      THR  12   0.866   4.574  -5.028
  113    H    PHE  13           H        PHE  13   1.277  -0.166  -4.837
  114    HA   PHE  13           HA       PHE  13   1.778  -2.264  -3.126
  115    HB2  PHE  13           HB2      PHE  13   1.666  -2.729  -5.378
  116    HB3  PHE  13           HB3      PHE  13   2.904  -1.559  -5.794
  117    HD1  PHE  13           HD1      PHE  13   5.337  -2.019  -5.379
  118    HD2  PHE  13           HD2      PHE  13   2.283  -5.019  -4.852
  119    HE1  PHE  13           HE1      PHE  13   7.068  -3.800  -5.445
  120    HE2  PHE  13           HE2      PHE  13   4.017  -6.796  -4.963
  121    HZ   PHE  13           HZ       PHE  13   6.414  -6.187  -5.231
  122    H    GLU  14           H        GLU  14   4.352   0.074  -3.989
  123    HA   GLU  14           HA       GLU  14   6.328  -1.173  -2.361
  124    HB2  GLU  14           HB2      GLU  14   7.611   0.818  -2.657
  125    HB3  GLU  14           HB3      GLU  14   6.883   0.348  -4.178
  126    HG2  GLU  14           HG2      GLU  14   5.844   2.575  -2.369
  127    HG3  GLU  14           HG3      GLU  14   6.978   2.808  -3.680
  128    H    GLN  15           H        GLN  15   3.800   1.162  -1.465
  129    HA   GLN  15           HA       GLN  15   4.888   1.670   1.206
  130    HB2  GLN  15           HB2      GLN  15   2.096   2.099   0.069
  131    HB3  GLN  15           HB3      GLN  15   2.668   2.646   1.647
  132    HG2  GLN  15           HG2      GLN  15   4.338   4.106   0.590
  133    HG3  GLN  15           HG3      GLN  15   3.870   3.536  -1.008
  134   HE21  GLN  15          HE21      GLN  15   2.014   6.652  -0.811
  135   HE22  GLN  15          HE22      GLN  15   3.603   6.029  -1.227
  136    H    ARG  16           H        ARG  16   2.400  -0.520  -0.194
  137    HA   ARG  16           HA       ARG  16   1.676  -1.752   2.316
  138    HB2  ARG  16           HB2      ARG  16   1.387  -2.802  -0.520
  139    HB3  ARG  16           HB3      ARG  16   0.731  -3.566   0.940
  140    HG2  ARG  16           HG2      ARG  16  -0.439  -1.325   1.436
  141    HG3  ARG  16           HG3      ARG  16  -0.041  -0.867  -0.224
  142    HD2  ARG  16           HD2      ARG  16  -1.791  -3.185   0.686
  143    HD3  ARG  16           HD3      ARG  16  -2.286  -1.712  -0.134
  144    HE   ARG  16           HE       ARG  16  -1.359  -2.465  -2.186
  145   HH11  ARG  16          HH11      ARG  16  -1.124  -5.037   0.256
  146   HH12  ARG  16          HH12      ARG  16  -0.759  -6.212  -1.011
  147   HH21  ARG  16          HH21      ARG  16  -0.645  -5.759  -2.963
  148   HH22  ARG  16          HH22      ARG  16  -0.921  -4.156  -3.641
  149    H    VAL  17           H        VAL  17   4.255  -2.516  -0.009
  150    HA   VAL  17           HA       VAL  17   5.140  -4.937   1.295
  151    HB   VAL  17           HB       VAL  17   6.479  -2.940  -0.562
  152   HG11  VAL  17          HG11      VAL  17   8.322  -4.592  -0.841
  153   HG12  VAL  17          HG12      VAL  17   8.326  -3.849   0.759
  154   HG13  VAL  17          HG13      VAL  17   7.697  -5.504   0.551
  155   HG21  VAL  17          HG21      VAL  17   6.316  -4.785  -2.170
  156   HG22  VAL  17          HG22      VAL  17   5.680  -5.871  -0.917
  157   HG23  VAL  17          HG23      VAL  17   4.719  -4.497  -1.476
  158    H    GLU  18           H        GLU  18   6.102  -1.429   1.834
  159    HA   GLU  18           HA       GLU  18   7.935  -2.171   3.930
  160    HB2  GLU  18           HB2      GLU  18   7.634   0.172   2.765
  161    HB3  GLU  18           HB3      GLU  18   6.391   0.423   4.012
  162    HG2  GLU  18           HG2      GLU  18   8.545   1.353   4.709
  163    HG3  GLU  18           HG3      GLU  18   7.997   0.073   5.786
  164    H    ASP  19           H        ASP  19   4.460  -1.347   3.993
  165    HA   ASP  19           HA       ASP  19   3.971  -1.703   6.737
  166    HB2  ASP  19           HB2      ASP  19   2.313  -0.689   5.590
  167    HB3  ASP  19           HB3      ASP  19   2.331  -1.861   4.296
  168    H    VAL  20           H        VAL  20   3.774  -4.344   4.262
  169    HA   VAL  20           HA       VAL  20   3.437  -6.329   6.232
  170    HB   VAL  20           HB       VAL  20   3.220  -6.451   3.607
  171   HG11  VAL  20          HG11      VAL  20   5.643  -6.472   3.069
  172   HG12  VAL  20          HG12      VAL  20   5.842  -7.950   4.032
  173   HG13  VAL  20          HG13      VAL  20   4.835  -7.953   2.581
  174   HG21  VAL  20          HG21      VAL  20   2.321  -8.027   5.240
  175   HG22  VAL  20          HG22      VAL  20   2.997  -8.882   3.849
  176   HG23  VAL  20          HG23      VAL  20   3.916  -8.816   5.377
  177    H    ARG  21           H        ARG  21   6.486  -4.996   5.059
  178    HA   ARG  21           HA       ARG  21   8.230  -6.788   6.487
  179    HB2  ARG  21           HB2      ARG  21   9.013  -5.432   4.640
  180    HB3  ARG  21           HB3      ARG  21   8.601  -3.939   5.481
  181    HG2  ARG  21           HG2      ARG  21  10.320  -4.382   7.203
  182    HG3  ARG  21           HG3      ARG  21  10.717  -5.918   6.403
  183    HD2  ARG  21           HD2      ARG  21  11.375  -4.688   4.363
  184    HD3  ARG  21           HD3      ARG  21  10.951  -3.158   5.128
  185    HE   ARG  21           HE       ARG  21  13.193  -4.980   5.908
  186   HH11  ARG  21          HH11      ARG  21  15.070  -2.386   7.127
  187   HH12  ARG  21          HH12      ARG  21  14.995  -4.090   6.801
  188   HH21  ARG  21          HH21      ARG  21  11.889  -1.671   6.021
  189   HH22  ARG  21          HH22      ARG  21  13.367  -1.075   6.719
  190    H    LEU  22           H        LEU  22   7.102  -3.494   7.434
  191    HA   LEU  22           HA       LEU  22   8.323  -3.682  10.033
  192    HB2  LEU  22           HB2      LEU  22   7.385  -1.572  10.494
  193    HB3  LEU  22           HB3      LEU  22   7.890  -1.593   8.820
  194    HG   LEU  22           HG       LEU  22   5.320  -2.188   8.400
  195   HD11  LEU  22          HD11      LEU  22   5.177  -0.541  10.949
  196   HD12  LEU  22          HD12      LEU  22   3.822  -1.005   9.896
  197   HD13  LEU  22          HD13      LEU  22   4.681  -2.236  10.815
  198   HD21  LEU  22          HD21      LEU  22   4.848   0.221   8.108
  199   HD22  LEU  22          HD22      LEU  22   6.328   0.611   9.012
  200   HD23  LEU  22          HD23      LEU  22   6.412  -0.230   7.442
  201    H    ILE  23           H        ILE  23   5.092  -4.652   8.899
  202    HA   ILE  23           HA       ILE  23   4.058  -5.316  11.503
  203    HB   ILE  23           HB       ILE  23   3.400  -6.127   8.665
  204   HG12  ILE  23          HG12      ILE  23   2.613  -3.923   9.288
  205   HG13  ILE  23          HG13      ILE  23   1.246  -5.015   9.162
  206   HG21  ILE  23          HG21      ILE  23   2.125  -7.307  11.145
  207   HG22  ILE  23          HG22      ILE  23   1.400  -7.316   9.511
  208   HG23  ILE  23          HG23      ILE  23   2.906  -8.159   9.793
  209   HD11  ILE  23          HD11      ILE  23   2.506  -3.813  11.637
  210   HD12  ILE  23          HD12      ILE  23   0.872  -3.588  11.031
  211   HD13  ILE  23          HD13      ILE  23   1.325  -5.152  11.735
  212    H    ARG  24           H        ARG  24   5.763  -7.417   9.083
  213    HA   ARG  24           HA       ARG  24   5.822  -9.694  10.856
  214    HB2  ARG  24           HB2      ARG  24   7.540  -8.867   8.481
  215    HB3  ARG  24           HB3      ARG  24   7.829 -10.361   9.365
  216    HG2  ARG  24           HG2      ARG  24   5.208  -9.686   7.949
  217    HG3  ARG  24           HG3      ARG  24   6.519 -10.682   7.310
  218    HD2  ARG  24           HD2      ARG  24   6.209 -12.116   9.460
  219    HD3  ARG  24           HD3      ARG  24   4.632 -11.301   9.607
  220    HE   ARG  24           HE       ARG  24   4.754 -12.171   6.959
  221   HH11  ARG  24          HH11      ARG  24   4.356 -14.166   6.075
  222   HH12  ARG  24          HH12      ARG  24   4.198 -15.556   7.105
  223   HH21  ARG  24          HH21      ARG  24   4.818 -13.886  10.049
  224   HH22  ARG  24          HH22      ARG  24   4.572 -15.418   9.281
  225    H    GLU  25           H        GLU  25   8.047  -6.953  10.554
  226    HA   GLU  25           HA       GLU  25  10.044  -7.899  12.337
  227    HB2  GLU  25           HB2      GLU  25  10.327  -5.993  10.846
  228    HB3  GLU  25           HB3      GLU  25   9.134  -5.061  11.764
  229    HG2  GLU  25           HG2      GLU  25  10.592  -5.127  13.758
  230    HG3  GLU  25           HG3      GLU  25  11.756  -6.131  12.889
  231    H    GLN  26           H        GLN  26   7.108  -5.902  13.158
  232    HA   GLN  26           HA       GLN  26   7.765  -6.044  15.988
  233    HB2  GLN  26           HB2      GLN  26   5.845  -4.754  16.393
  234    HB3  GLN  26           HB3      GLN  26   6.590  -4.139  14.922
  235    HG2  GLN  26           HG2      GLN  26   4.856  -5.401  13.596
  236    HG3  GLN  26           HG3      GLN  26   4.102  -5.897  15.114
  237   HE21  GLN  26          HE21      GLN  26   2.086  -3.048  14.127
  238   HE22  GLN  26          HE22      GLN  26   2.165  -4.796  14.031
  239    H    HIS  27           H        HIS  27   5.575  -7.949  13.907
  240    HA   HIS  27           HA       HIS  27   5.184  -9.908  16.147
  241    HB2  HIS  27           HB2      HIS  27   2.953  -8.717  14.446
  242    HB3  HIS  27           HB3      HIS  27   2.770 -10.087  15.543
  243    HD1  HIS  27           HD1      HIS  27   4.159  -8.907  18.169
  244    HD2  HIS  27           HD2      HIS  27   1.321  -7.070  15.635
  245    HE1  HIS  27           HE1      HIS  27   2.818  -7.260  19.631
  246    HE2  HIS  27           HE2      HIS  27   1.079  -6.164  18.086
  247    HA   PRO  28           HA       PRO  28   6.541 -12.109  12.324
  248    HB2  PRO  28           HB2      PRO  28   7.425 -14.009  14.500
  249    HB3  PRO  28           HB3      PRO  28   8.260 -13.570  12.977
  250    HG2  PRO  28           HG2      PRO  28   9.044 -12.474  15.320
  251    HG3  PRO  28           HG3      PRO  28   8.906 -11.448  13.855
  252    HD2  PRO  28           HD2      PRO  28   6.945 -11.746  16.143
  253    HD3  PRO  28           HD3      PRO  28   7.500 -10.259  15.319
  254    H    THR  29           H        THR  29   4.808 -13.386  15.157
  255    HA   THR  29           HA       THR  29   3.743 -15.731  13.888
  256    HB   THR  29           HB       THR  29   2.637 -16.211  15.863
  257    HG1  THR  29           HG1      THR  29   2.227 -14.646  17.446
  258   HG21  THR  29          HG21      THR  29   4.256 -15.973  17.627
  259   HG22  THR  29          HG22      THR  29   5.152 -16.173  16.114
  260   HG23  THR  29          HG23      THR  29   5.008 -14.561  16.865
  261    H    LYS  30           H        LYS  30   2.640 -12.526  13.486
  262    HA   LYS  30           HA       LYS  30  -0.090 -13.490  12.802
  263    HB2  LYS  30           HB2      LYS  30   0.990 -10.656  12.925
  264    HB3  LYS  30           HB3      LYS  30  -0.618 -11.127  12.341
  265    HG2  LYS  30           HG2      LYS  30  -1.119 -12.195  14.522
  266    HG3  LYS  30           HG3      LYS  30   0.438 -11.647  15.150
  267    HD2  LYS  30           HD2      LYS  30  -0.257  -9.286  14.886
  268    HD3  LYS  30           HD3      LYS  30  -1.784  -9.804  14.142
  269    HE2  LYS  30           HE2      LYS  30  -2.371 -11.042  16.230
  270    HE3  LYS  30           HE3      LYS  30  -0.878 -10.473  16.988
  271    HZ1  LYS  30           HZ1      LYS  30  -1.732  -8.189  16.908
  272    HZ2  LYS  30           HZ2      LYS  30  -3.069  -8.638  16.047
  273    HZ3  LYS  30           HZ3      LYS  30  -2.854  -9.134  17.588
  274    H    ILE  31           H        ILE  31  -0.924 -13.578  10.904
  275    HA   ILE  31           HA       ILE  31   0.918 -13.837   8.601
  276    HB   ILE  31           HB       ILE  31  -1.796 -15.048   9.247
  277   HG12  ILE  31          HG12      ILE  31  -0.062 -15.871  10.775
  278   HG13  ILE  31          HG13      ILE  31  -0.632 -17.124   9.684
  279   HG21  ILE  31          HG21      ILE  31   0.084 -15.563   6.929
  280   HG22  ILE  31          HG22      ILE  31  -1.278 -16.616   7.386
  281   HG23  ILE  31          HG23      ILE  31  -1.588 -14.956   6.863
  282   HD11  ILE  31          HD11      ILE  31   1.424 -16.891   8.294
  283   HD12  ILE  31          HD12      ILE  31   2.013 -15.634   9.412
  284   HD13  ILE  31          HD13      ILE  31   1.783 -17.294   9.974
  285    HA   PRO  32           HA       PRO  32  -1.355 -10.204   7.278
  286    HB2  PRO  32           HB2      PRO  32   0.173  -9.385   5.177
  287    HB3  PRO  32           HB3      PRO  32   0.722  -9.303   6.878
  288    HG2  PRO  32           HG2      PRO  32   1.335 -11.423   4.816
  289    HG3  PRO  32           HG3      PRO  32   2.475 -10.601   5.920
  290    HD2  PRO  32           HD2      PRO  32   1.440 -13.063   6.471
  291    HD3  PRO  32           HD3      PRO  32   1.817 -11.867   7.749
  292    H    VAL  33           H        VAL  33  -3.275 -10.191   6.341
  293    HA   VAL  33           HA       VAL  33  -3.680 -11.428   3.671
  294    HB   VAL  33           HB       VAL  33  -5.738 -11.518   5.846
  295   HG11  VAL  33          HG11      VAL  33  -6.615 -11.928   3.628
  296   HG12  VAL  33          HG12      VAL  33  -5.352 -13.142   3.329
  297   HG13  VAL  33          HG13      VAL  33  -6.608 -13.428   4.540
  298   HG21  VAL  33          HG21      VAL  33  -3.627 -13.644   5.348
  299   HG22  VAL  33          HG22      VAL  33  -3.954 -12.756   6.848
  300   HG23  VAL  33          HG23      VAL  33  -5.138 -13.911   6.256
  301    H    ILE  34           H        ILE  34  -5.018 -10.446   2.232
  302    HA   ILE  34           HA       ILE  34  -6.234  -7.798   2.966
  303    HB   ILE  34           HB       ILE  34  -5.741  -9.047   0.234
  304   HG12  ILE  34          HG12      ILE  34  -3.603  -8.467   1.106
  305   HG13  ILE  34          HG13      ILE  34  -4.042  -7.270  -0.088
  306   HG21  ILE  34          HG21      ILE  34  -6.271  -6.712  -0.586
  307   HG22  ILE  34          HG22      ILE  34  -7.646  -7.603   0.061
  308   HG23  ILE  34          HG23      ILE  34  -6.874  -6.350   1.050
  309   HD11  ILE  34          HD11      ILE  34  -4.666  -5.690   1.772
  310   HD12  ILE  34          HD12      ILE  34  -4.086  -6.903   2.937
  311   HD13  ILE  34          HD13      ILE  34  -2.968  -6.174   1.778
  312    H    ILE  35           H        ILE  35  -8.447  -7.488   2.793
  313    HA   ILE  35           HA       ILE  35 -10.095  -9.686   1.699
  314    HB   ILE  35           HB       ILE  35 -10.409 -10.012   4.017
  315   HG12  ILE  35          HG12      ILE  35 -12.813  -8.496   2.876
  316   HG13  ILE  35          HG13      ILE  35 -12.361 -10.158   2.461
  317   HG21  ILE  35          HG21      ILE  35 -11.212  -7.075   4.242
  318   HG22  ILE  35          HG22      ILE  35 -11.257  -8.265   5.552
  319   HG23  ILE  35          HG23      ILE  35  -9.707  -7.793   4.879
  320   HD11  ILE  35          HD11      ILE  35 -13.288  -9.190   5.190
  321   HD12  ILE  35          HD12      ILE  35 -14.188 -10.169   4.034
  322   HD13  ILE  35          HD13      ILE  35 -12.748 -10.844   4.807
  323    H    GLU  36           H        GLU  36 -11.456  -9.025   0.123
  324    HA   GLU  36           HA       GLU  36 -12.327  -6.154   0.132
  325    HB2  GLU  36           HB2      GLU  36 -10.344  -6.621  -1.411
  326    HB3  GLU  36           HB3      GLU  36 -11.444  -7.642  -2.354
  327    HG2  GLU  36           HG2      GLU  36 -12.951  -5.594  -2.585
  328    HG3  GLU  36           HG3      GLU  36 -11.671  -4.655  -1.825
  329    H    ARG  37           H        ARG  37 -14.406  -5.739  -0.538
  330    HA   ARG  37           HA       ARG  37 -16.345  -7.900  -0.799
  331    HB2  ARG  37           HB2      ARG  37 -16.866  -5.662   0.134
  332    HB3  ARG  37           HB3      ARG  37 -16.478  -4.908  -1.407
  333    HG2  ARG  37           HG2      ARG  37 -18.394  -5.909  -2.486
  334    HG3  ARG  37           HG3      ARG  37 -18.674  -6.999  -1.122
  335    HD2  ARG  37           HD2      ARG  37 -20.296  -5.179  -1.133
  336    HD3  ARG  37           HD3      ARG  37 -19.288  -5.145   0.323
  337    HE   ARG  37           HE       ARG  37 -18.072  -3.411  -1.571
  338   HH11  ARG  37          HH11      ARG  37 -21.056  -3.467   0.273
  339   HH12  ARG  37          HH12      ARG  37 -21.163  -1.722   0.309
  340   HH21  ARG  37          HH21      ARG  37 -18.221  -1.178  -1.384
  341   HH22  ARG  37          HH22      ARG  37 -19.572  -0.479  -0.563
  342    H    TYR  38           H        TYR  38 -17.134  -8.874  -2.669
  343    HA   TYR  38           HA       TYR  38 -15.546  -8.859  -4.923
  344    HB2  TYR  38           HB2      TYR  38 -16.674 -10.779  -4.655
  345    HB3  TYR  38           HB3      TYR  38 -18.219  -9.985  -4.411
  346    HD1  TYR  38           HD1      TYR  38 -15.636 -10.357  -7.154
  347    HD2  TYR  38           HD2      TYR  38 -19.818 -10.178  -6.074
  348    HE1  TYR  38           HE1      TYR  38 -16.278 -10.712  -9.532
  349    HE2  TYR  38           HE2      TYR  38 -20.444 -10.563  -8.448
  350    HH   TYR  38           HH       TYR  38 -19.689 -10.943 -10.598
  351    H    LYS  39           H        LYS  39 -15.163  -7.806  -6.668
  352    HA   LYS  39           HA       LYS  39 -15.981  -5.147  -6.929
  353    HB2  LYS  39           HB2      LYS  39 -14.723  -6.974  -9.029
  354    HB3  LYS  39           HB3      LYS  39 -14.806  -5.217  -9.139
  355    HG2  LYS  39           HG2      LYS  39 -13.440  -5.000  -7.079
  356    HG3  LYS  39           HG3      LYS  39 -13.325  -6.769  -6.970
  357    HD2  LYS  39           HD2      LYS  39 -12.292  -6.809  -9.258
  358    HD3  LYS  39           HD3      LYS  39 -12.281  -5.046  -9.266
  359    HE2  LYS  39           HE2      LYS  39 -10.814  -6.847  -7.276
  360    HE3  LYS  39           HE3      LYS  39 -10.090  -6.087  -8.692
  361    HZ1  LYS  39           HZ1      LYS  39 -11.172  -4.677  -6.297
  362    HZ2  LYS  39           HZ2      LYS  39  -9.624  -4.751  -6.773
  363    HZ3  LYS  39           HZ3      LYS  39 -10.687  -3.893  -7.675
  364    H    GLY  40           H        GLY  40 -17.317  -7.949  -8.635
  365    HA2  GLY  40           HA2      GLY  40 -18.797  -6.391 -10.588
  366    HA3  GLY  40           HA3      GLY  40 -18.894  -8.124 -10.316
  367    H    GLU  41           H        GLU  41 -19.601  -7.396  -7.322
  368    HA   GLU  41           HA       GLU  41 -22.343  -6.362  -7.633
  369    HB2  GLU  41           HB2      GLU  41 -22.443  -8.786  -8.319
  370    HB3  GLU  41           HB3      GLU  41 -21.840  -9.221  -6.738
  371    HG2  GLU  41           HG2      GLU  41 -24.143  -9.608  -6.694
  372    HG3  GLU  41           HG3      GLU  41 -23.883  -8.189  -5.704
  373    H    LYS  42           H        LYS  42 -21.349  -4.736  -6.331
  374    HA   LYS  42           HA       LYS  42 -20.422  -5.269  -3.642
  375    HB2  LYS  42           HB2      LYS  42 -21.017  -2.704  -5.164
  376    HB3  LYS  42           HB3      LYS  42 -20.346  -2.727  -3.533
  377    HG2  LYS  42           HG2      LYS  42 -18.361  -3.929  -4.271
  378    HG3  LYS  42           HG3      LYS  42 -18.986  -4.026  -5.929
  379    HD2  LYS  42           HD2      LYS  42 -18.983  -1.594  -6.139
  380    HD3  LYS  42           HD3      LYS  42 -18.483  -1.396  -4.448
  381    HE2  LYS  42           HE2      LYS  42 -16.303  -2.436  -4.911
  382    HE3  LYS  42           HE3      LYS  42 -16.815  -2.839  -6.562
  383    HZ1  LYS  42           HZ1      LYS  42 -16.956  -0.443  -7.040
  384    HZ2  LYS  42           HZ2      LYS  42 -16.493  -0.064  -5.517
  385    HZ3  LYS  42           HZ3      LYS  42 -15.454  -0.821  -6.528
  386    H    GLN  43           H        GLN  43 -22.952  -6.368  -3.803
  387    HA   GLN  43           HA       GLN  43 -25.069  -4.654  -2.799
  388    HB2  GLN  43           HB2      GLN  43 -24.715  -7.669  -2.921
  389    HB3  GLN  43           HB3      GLN  43 -26.199  -6.908  -2.353
  390    HG2  GLN  43           HG2      GLN  43 -25.051  -6.289  -5.100
  391    HG3  GLN  43           HG3      GLN  43 -26.014  -7.730  -4.766
  392   HE21  GLN  43          HE21      GLN  43 -28.595  -5.658  -6.036
  393   HE22  GLN  43          HE22      GLN  43 -27.309  -6.802  -6.492
  394    H    LEU  44           H        LEU  44 -23.009  -7.095  -1.186
  395    HA   LEU  44           HA       LEU  44 -24.346  -6.850   1.357
  396    HB2  LEU  44           HB2      LEU  44 -21.658  -8.077   0.603
  397    HB3  LEU  44           HB3      LEU  44 -22.471  -8.320   2.149
  398    HG   LEU  44           HG       LEU  44 -23.457  -9.266  -0.581
  399   HD11  LEU  44          HD11      LEU  44 -23.055 -11.491   0.351
  400   HD12  LEU  44          HD12      LEU  44 -21.561 -10.528   0.400
  401   HD13  LEU  44          HD13      LEU  44 -22.529 -10.771   1.884
  402   HD21  LEU  44          HD21      LEU  44 -25.428  -8.731   0.763
  403   HD22  LEU  44          HD22      LEU  44 -25.214 -10.481   0.705
  404   HD23  LEU  44          HD23      LEU  44 -24.739  -9.589   2.168
  405    HA   PRO  45           HA       PRO  45 -22.221  -3.437   3.230
  406    HB2  PRO  45           HB2      PRO  45 -22.146  -4.107   5.900
  407    HB3  PRO  45           HB3      PRO  45 -23.645  -3.655   5.037
  408    HG2  PRO  45           HG2      PRO  45 -22.589  -6.460   5.569
  409    HG3  PRO  45           HG3      PRO  45 -24.229  -5.812   5.903
  410    HD2  PRO  45           HD2      PRO  45 -23.722  -7.213   3.658
  411    HD3  PRO  45           HD3      PRO  45 -24.782  -5.772   3.596
  412    H    VAL  46           H        VAL  46 -20.224  -2.779   4.196
  413    HA   VAL  46           HA       VAL  46 -18.083  -4.872   4.418
  414    HB   VAL  46           HB       VAL  46 -18.036  -3.594   2.264
  415   HG11  VAL  46          HG11      VAL  46 -17.106  -1.351   2.212
  416   HG12  VAL  46          HG12      VAL  46 -18.623  -1.337   3.124
  417   HG13  VAL  46          HG13      VAL  46 -17.057  -1.274   3.983
  418   HG21  VAL  46          HG21      VAL  46 -15.635  -3.327   2.204
  419   HG22  VAL  46          HG22      VAL  46 -15.539  -3.213   3.968
  420   HG23  VAL  46          HG23      VAL  46 -16.010  -4.739   3.205
  421    H    LEU  47           H        LEU  47 -19.347  -1.937   5.835
  422    HA   LEU  47           HA       LEU  47 -18.718  -0.675   7.603
  423    HB2  LEU  47           HB2      LEU  47 -17.861  -3.343   8.777
  424    HB3  LEU  47           HB3      LEU  47 -18.198  -1.865   9.680
  425    HG   LEU  47           HG       LEU  47 -20.229  -3.467   8.060
  426   HD11  LEU  47          HD11      LEU  47 -19.452  -4.611  10.099
  427   HD12  LEU  47          HD12      LEU  47 -19.826  -3.167  11.063
  428   HD13  LEU  47          HD13      LEU  47 -21.131  -4.074  10.267
  429   HD21  LEU  47          HD21      LEU  47 -21.919  -2.048   9.208
  430   HD22  LEU  47          HD22      LEU  47 -20.611  -1.060   9.896
  431   HD23  LEU  47          HD23      LEU  47 -20.889  -1.088   8.141
  432    H    ASP  48           H        ASP  48 -16.085  -2.396   8.874
  433    HA   ASP  48           HA       ASP  48 -14.139  -0.529   7.634
  434    HB2  ASP  48           HB2      ASP  48 -14.141  -1.977  10.284
  435    HB3  ASP  48           HB3      ASP  48 -12.720  -1.181   9.642
  436    H    LYS  49           H        LYS  49 -14.972  -3.670   6.911
  437    HA   LYS  49           HA       LYS  49 -12.420  -5.002   7.289
  438    HB2  LYS  49           HB2      LYS  49 -14.674  -5.746   5.382
  439    HB3  LYS  49           HB3      LYS  49 -13.346  -6.784   5.886
  440    HG2  LYS  49           HG2      LYS  49 -15.658  -5.796   7.582
  441    HG3  LYS  49           HG3      LYS  49 -15.370  -7.413   6.953
  442    HD2  LYS  49           HD2      LYS  49 -14.614  -7.917   8.950
  443    HD3  LYS  49           HD3      LYS  49 -13.112  -7.103   8.483
  444    HE2  LYS  49           HE2      LYS  49 -13.856  -5.030   9.573
  445    HE3  LYS  49           HE3      LYS  49 -15.494  -5.671   9.790
  446    HZ1  LYS  49           HZ1      LYS  49 -13.033  -6.713  11.144
  447    HZ2  LYS  49           HZ2      LYS  49 -14.237  -5.867  11.867
  448    HZ3  LYS  49           HZ3      LYS  49 -14.506  -7.394  11.308
  449    H    THR  50           H        THR  50 -10.617  -4.361   6.333
  450    HA   THR  50           HA       THR  50 -10.492  -4.689   3.396
  451    HB   THR  50           HB       THR  50  -9.218  -2.866   2.878
  452    HG1  THR  50           HG1      THR  50  -8.418  -1.459   4.602
  453   HG21  THR  50          HG21      THR  50 -11.106  -1.707   4.965
  454   HG22  THR  50          HG22      THR  50 -10.364  -0.848   3.599
  455   HG23  THR  50          HG23      THR  50 -11.547  -2.124   3.290
  456    H    LYS  51           H        LYS  51  -8.696  -4.908   6.433
  457    HA   LYS  51           HA       LYS  51  -6.736  -6.767   5.150
  458    HB2  LYS  51           HB2      LYS  51  -6.074  -4.321   6.851
  459    HB3  LYS  51           HB3      LYS  51  -4.904  -5.548   6.349
  460    HG2  LYS  51           HG2      LYS  51  -4.991  -4.864   4.065
  461    HG3  LYS  51           HG3      LYS  51  -6.452  -3.918   4.306
  462    HD2  LYS  51           HD2      LYS  51  -4.667  -2.375   4.106
  463    HD3  LYS  51           HD3      LYS  51  -5.261  -2.339   5.769
  464    HE2  LYS  51           HE2      LYS  51  -3.334  -3.853   6.418
  465    HE3  LYS  51           HE3      LYS  51  -2.743  -3.743   4.752
  466    HZ1  LYS  51           HZ1      LYS  51  -2.685  -1.265   5.114
  467    HZ2  LYS  51           HZ2      LYS  51  -2.996  -1.514   6.715
  468    HZ3  LYS  51           HZ3      LYS  51  -1.600  -2.094   5.990
  469    H    PHE  52           H        PHE  52  -6.160  -8.455   6.439
  470    HA   PHE  52           HA       PHE  52  -6.298  -8.065   9.298
  471    HB2  PHE  52           HB2      PHE  52  -7.296 -10.345   9.758
  472    HB3  PHE  52           HB3      PHE  52  -8.278  -8.919   9.491
  473    HD1  PHE  52           HD1      PHE  52 -10.130  -9.075   8.135
  474    HD2  PHE  52           HD2      PHE  52  -6.900 -11.871   7.649
  475    HE1  PHE  52           HE1      PHE  52 -11.525 -10.427   6.606
  476    HE2  PHE  52           HE2      PHE  52  -8.269 -13.170   6.028
  477    HZ   PHE  52           HZ       PHE  52 -10.587 -12.461   5.510
  478    H    LEU  53           H        LEU  53  -4.754  -8.597  10.481
  479    HA   LEU  53           HA       LEU  53  -2.617 -10.359   9.413
  480    HB2  LEU  53           HB2      LEU  53  -2.372  -8.723  11.941
  481    HB3  LEU  53           HB3      LEU  53  -1.121  -9.346  10.897
  482    HG   LEU  53           HG       LEU  53  -3.014  -7.050  10.176
  483   HD11  LEU  53          HD11      LEU  53  -0.929  -5.684  10.527
  484   HD12  LEU  53          HD12      LEU  53  -1.627  -6.367  12.001
  485   HD13  LEU  53          HD13      LEU  53  -0.190  -7.108  11.287
  486   HD21  LEU  53          HD21      LEU  53  -0.557  -8.220   8.796
  487   HD22  LEU  53          HD22      LEU  53  -2.218  -8.139   8.161
  488   HD23  LEU  53          HD23      LEU  53  -1.289  -6.655   8.377
  489    H    VAL  54           H        VAL  54  -3.499 -12.419   9.769
  490    HA   VAL  54           HA       VAL  54  -4.982 -12.925  12.251
  491    HB   VAL  54           HB       VAL  54  -4.411 -15.066  10.236
  492   HG11  VAL  54          HG11      VAL  54  -6.587 -15.916  10.951
  493   HG12  VAL  54          HG12      VAL  54  -5.585 -15.601  12.379
  494   HG13  VAL  54          HG13      VAL  54  -6.876 -14.471  11.940
  495   HG21  VAL  54          HG21      VAL  54  -5.187 -13.236   8.830
  496   HG22  VAL  54          HG22      VAL  54  -6.468 -14.429   9.008
  497   HG23  VAL  54          HG23      VAL  54  -6.546 -12.918   9.931
  498    HA   PRO  55           HA       PRO  55  -1.396 -14.730  14.343
  499    HB2  PRO  55           HB2      PRO  55  -3.441 -16.100  16.058
  500    HB3  PRO  55           HB3      PRO  55  -1.984 -15.183  16.540
  501    HG2  PRO  55           HG2      PRO  55  -4.460 -14.076  16.755
  502    HG3  PRO  55           HG3      PRO  55  -3.065 -13.107  16.185
  503    HD2  PRO  55           HD2      PRO  55  -5.250 -14.391  14.524
  504    HD3  PRO  55           HD3      PRO  55  -4.522 -12.763  14.390
  505    H    ASP  56           H        ASP  56  -0.261 -16.555  13.845
  506    HA   ASP  56           HA       ASP  56  -1.111 -18.178  11.823
  507    HB2  ASP  56           HB2      ASP  56   0.902 -19.575  12.257
  508    HB3  ASP  56           HB3      ASP  56   1.167 -17.840  12.143
  509    H    HIS  57           H        HIS  57  -1.647 -18.972  15.165
  510    HA   HIS  57           HA       HIS  57  -2.340 -21.774  14.706
  511    HB2  HIS  57           HB2      HIS  57  -2.614 -19.889  17.082
  512    HB3  HIS  57           HB3      HIS  57  -3.267 -21.518  17.088
  513    HD1  HIS  57           HD1      HIS  57   0.303 -20.092  16.224
  514    HD2  HIS  57           HD2      HIS  57  -1.751 -23.145  18.324
  515    HE1  HIS  57           HE1      HIS  57   2.094 -21.508  17.400
  516    HE2  HIS  57           HE2      HIS  57   0.842 -23.375  18.666
  517    H    VAL  58           H        VAL  58  -4.141 -18.887  14.133
  518    HA   VAL  58           HA       VAL  58  -6.800 -19.944  14.718
  519    HB   VAL  58           HB       VAL  58  -5.963 -17.641  12.964
  520   HG11  VAL  58          HG11      VAL  58  -8.240 -16.774  13.239
  521   HG12  VAL  58          HG12      VAL  58  -8.287 -18.344  12.446
  522   HG13  VAL  58          HG13      VAL  58  -8.711 -18.195  14.177
  523   HG21  VAL  58          HG21      VAL  58  -5.287 -17.277  15.317
  524   HG22  VAL  58          HG22      VAL  58  -6.649 -16.225  14.919
  525   HG23  VAL  58          HG23      VAL  58  -6.918 -17.696  15.864
  526    H    ASN  59           H        ASN  59  -8.049 -21.200  13.482
  527    HA   ASN  59           HA       ASN  59  -7.067 -22.155  10.882
  528    HB2  ASN  59           HB2      ASN  59  -9.407 -23.048  12.612
  529    HB3  ASN  59           HB3      ASN  59  -8.850 -23.835  11.146
  530   HD21  ASN  59          HD21      ASN  59  -6.805 -24.382  14.631
  531   HD22  ASN  59          HD22      ASN  59  -8.083 -23.171  14.531
  532    H    MET  60           H        MET  60  -8.377 -22.353   9.004
  533    HA   MET  60           HA       MET  60  -9.418 -19.936   8.051
  534    HB2  MET  60           HB2      MET  60  -8.462 -21.859   6.767
  535    HB3  MET  60           HB3      MET  60  -9.932 -22.777   7.080
  536    HG2  MET  60           HG2      MET  60 -10.020 -21.940   4.883
  537    HG3  MET  60           HG3      MET  60 -11.226 -21.043   5.803
  538    HE1  MET  60           HE1      MET  60 -10.466 -17.523   4.896
  539    HE2  MET  60           HE2      MET  60 -11.598 -18.859   4.619
  540    HE3  MET  60           HE3      MET  60 -11.077 -18.461   6.279
  541    H    SER  61           H        SER  61 -11.200 -22.658   9.507
  542    HA   SER  61           HA       SER  61 -13.871 -21.799   8.981
  543    HB2  SER  61           HB2      SER  61 -14.373 -23.359  10.906
  544    HB3  SER  61           HB3      SER  61 -13.429 -24.063   9.578
  545    HG   SER  61           HG       SER  61 -12.596 -24.493  11.767
  546    H    GLU  62           H        GLU  62 -11.888 -21.373  11.966
  547    HA   GLU  62           HA       GLU  62 -13.800 -19.641  13.227
  548    HB2  GLU  62           HB2      GLU  62 -11.700 -18.847  14.589
  549    HB3  GLU  62           HB3      GLU  62 -12.451 -20.437  14.819
  550    HG2  GLU  62           HG2      GLU  62 -10.676 -21.394  13.314
  551    HG3  GLU  62           HG3      GLU  62  -9.925 -19.797  13.300
  552    H    LEU  63           H        LEU  63 -11.069 -18.808  11.074
  553    HA   LEU  63           HA       LEU  63 -11.403 -15.961  11.215
  554    HB2  LEU  63           HB2      LEU  63  -9.451 -17.021  10.206
  555    HB3  LEU  63           HB3      LEU  63 -10.448 -17.803   8.988
  556    HG   LEU  63           HG       LEU  63 -11.019 -15.577   8.009
  557   HD11  LEU  63          HD11      LEU  63  -8.971 -14.532  10.029
  558   HD12  LEU  63          HD12      LEU  63  -9.643 -13.609   8.663
  559   HD13  LEU  63          HD13      LEU  63 -10.704 -14.115   9.976
  560   HD21  LEU  63          HD21      LEU  63  -8.846 -15.205   6.968
  561   HD22  LEU  63          HD22      LEU  63  -8.036 -16.102   8.284
  562   HD23  LEU  63          HD23      LEU  63  -9.137 -16.940   7.171
  563    H    ILE  64           H        ILE  64 -13.075 -18.364   9.089
  564    HA   ILE  64           HA       ILE  64 -14.765 -16.414   7.788
  565    HB   ILE  64           HB       ILE  64 -15.123 -19.379   8.311
  566   HG12  ILE  64          HG12      ILE  64 -14.655 -18.010   5.641
  567   HG13  ILE  64          HG13      ILE  64 -13.303 -18.384   6.693
  568   HG21  ILE  64          HG21      ILE  64 -16.887 -17.547   6.613
  569   HG22  ILE  64          HG22      ILE  64 -16.940 -19.324   6.591
  570   HG23  ILE  64          HG23      ILE  64 -17.383 -18.466   8.054
  571   HD11  ILE  64          HD11      ILE  64 -15.241 -20.411   5.533
  572   HD12  ILE  64          HD12      ILE  64 -13.561 -20.152   5.063
  573   HD13  ILE  64          HD13      ILE  64 -13.931 -20.794   6.673
  574    H    LYS  65           H        LYS  65 -15.273 -18.299  10.814
  575    HA   LYS  65           HA       LYS  65 -17.900 -17.306  11.338
  576    HB2  LYS  65           HB2      LYS  65 -15.774 -18.439  13.185
  577    HB3  LYS  65           HB3      LYS  65 -17.393 -17.995  13.736
  578    HG2  LYS  65           HG2      LYS  65 -18.454 -19.570  12.233
  579    HG3  LYS  65           HG3      LYS  65 -16.942 -19.910  11.415
  580    HD2  LYS  65           HD2      LYS  65 -17.431 -21.757  12.886
  581    HD3  LYS  65           HD3      LYS  65 -15.991 -20.924  13.438
  582    HE2  LYS  65           HE2      LYS  65 -17.267 -21.511  15.369
  583    HE3  LYS  65           HE3      LYS  65 -17.358 -19.761  15.200
  584    HZ1  LYS  65           HZ1      LYS  65 -19.608 -20.035  14.253
  585    HZ2  LYS  65           HZ2      LYS  65 -19.492 -21.672  14.344
  586    HZ3  LYS  65           HZ3      LYS  65 -19.535 -20.770  15.703
  587    H    ILE  66           H        ILE  66 -14.792 -15.914  12.560
  588    HA   ILE  66           HA       ILE  66 -16.129 -13.792  13.973
  589    HB   ILE  66           HB       ILE  66 -13.907 -14.259  14.558
  590   HG12  ILE  66          HG12      ILE  66 -14.772 -11.821  14.638
  591   HG13  ILE  66          HG13      ILE  66 -13.085 -12.166  14.959
  592   HG21  ILE  66          HG21      ILE  66 -11.914 -13.741  13.219
  593   HG22  ILE  66          HG22      ILE  66 -12.877 -15.022  12.518
  594   HG23  ILE  66          HG23      ILE  66 -12.932 -13.416  11.795
  595   HD11  ILE  66          HD11      ILE  66 -14.066 -11.068  12.289
  596   HD12  ILE  66          HD12      ILE  66 -13.374 -10.124  13.613
  597   HD13  ILE  66          HD13      ILE  66 -12.389 -11.336  12.787
  598    H    ILE  67           H        ILE  67 -14.940 -13.877  10.595
  599    HA   ILE  67           HA       ILE  67 -15.763 -11.162  10.025
  600    HB   ILE  67           HB       ILE  67 -15.182 -13.538   8.218
  601   HG12  ILE  67          HG12      ILE  67 -13.226 -12.824   9.502
  602   HG13  ILE  67          HG13      ILE  67 -13.030 -12.491   7.801
  603   HG21  ILE  67          HG21      ILE  67 -14.902 -11.861   6.389
  604   HG22  ILE  67          HG22      ILE  67 -16.570 -11.984   6.957
  605   HG23  ILE  67          HG23      ILE  67 -15.583 -10.606   7.459
  606   HD11  ILE  67          HD11      ILE  67 -12.117 -10.702   9.215
  607   HD12  ILE  67          HD12      ILE  67 -13.426 -10.080   8.207
  608   HD13  ILE  67          HD13      ILE  67 -13.699 -10.410   9.937
  609    H    ARG  68           H        ARG  68 -17.478 -14.285   9.528
  610    HA   ARG  68           HA       ARG  68 -19.858 -13.159   8.420
  611    HB2  ARG  68           HB2      ARG  68 -19.248 -15.573   8.373
  612    HB3  ARG  68           HB3      ARG  68 -19.548 -15.683  10.110
  613    HG2  ARG  68           HG2      ARG  68 -21.929 -15.065   9.740
  614    HG3  ARG  68           HG3      ARG  68 -21.628 -14.919   8.007
  615    HD2  ARG  68           HD2      ARG  68 -21.288 -17.478   9.633
  616    HD3  ARG  68           HD3      ARG  68 -22.756 -17.050   8.773
  617    HE   ARG  68           HE       ARG  68 -20.167 -17.926   7.622
  618   HH11  ARG  68          HH11      ARG  68 -23.448 -16.914   6.895
  619   HH12  ARG  68          HH12      ARG  68 -23.347 -17.464   5.247
  620   HH21  ARG  68          HH21      ARG  68 -20.113 -18.570   5.466
  621   HH22  ARG  68          HH22      ARG  68 -21.442 -18.148   4.416
  622    H    ARG  69           H        ARG  69 -18.918 -13.514  11.843
  623    HA   ARG  69           HA       ARG  69 -21.453 -12.507  12.862
  624    HB2  ARG  69           HB2      ARG  69 -19.944 -13.934  14.203
  625    HB3  ARG  69           HB3      ARG  69 -18.707 -12.676  14.170
  626    HG2  ARG  69           HG2      ARG  69 -19.796 -12.585  16.307
  627    HG3  ARG  69           HG3      ARG  69 -20.268 -11.137  15.417
  628    HD2  ARG  69           HD2      ARG  69 -22.442 -12.170  14.855
  629    HD3  ARG  69           HD3      ARG  69 -21.972 -13.659  15.670
  630    HE   ARG  69           HE       ARG  69 -22.702 -11.050  16.884
  631   HH11  ARG  69          HH11      ARG  69 -21.675 -14.334  17.579
  632   HH12  ARG  69          HH12      ARG  69 -22.194 -14.237  19.238
  633   HH21  ARG  69          HH21      ARG  69 -23.306 -10.991  19.008
  634   HH22  ARG  69          HH22      ARG  69 -23.084 -12.384  20.024
  635    H    ARG  70           H        ARG  70 -18.285 -10.925  12.301
  636    HA   ARG  70           HA       ARG  70 -19.153  -8.352  13.331
  637    HB2  ARG  70           HB2      ARG  70 -16.690  -9.451  12.068
  638    HB3  ARG  70           HB3      ARG  70 -17.023  -7.781  11.651
  639    HG2  ARG  70           HG2      ARG  70 -15.607  -7.824  13.593
  640    HG3  ARG  70           HG3      ARG  70 -17.179  -7.142  14.018
  641    HD2  ARG  70           HD2      ARG  70 -17.815  -9.254  15.119
  642    HD3  ARG  70           HD3      ARG  70 -16.286  -9.990  14.599
  643    HE   ARG  70           HE       ARG  70 -15.927  -7.501  16.107
  644   HH11  ARG  70          HH11      ARG  70 -16.461 -10.925  16.695
  645   HH12  ARG  70          HH12      ARG  70 -15.605 -10.868  18.207
  646   HH21  ARG  70          HH21      ARG  70 -14.842  -7.504  17.982
  647   HH22  ARG  70          HH22      ARG  70 -14.697  -8.975  18.915
  648    H    LEU  71           H        LEU  71 -19.075  -9.592   9.977
  649    HA   LEU  71           HA       LEU  71 -20.204  -7.106   8.883
  650    HB2  LEU  71           HB2      LEU  71 -20.059  -9.960   7.819
  651    HB3  LEU  71           HB3      LEU  71 -20.781  -8.627   6.927
  652    HG   LEU  71           HG       LEU  71 -17.855  -8.735   7.793
  653   HD11  LEU  71          HD11      LEU  71 -19.146  -9.143   5.061
  654   HD12  LEU  71          HD12      LEU  71 -17.405  -9.146   5.414
  655   HD13  LEU  71          HD13      LEU  71 -18.445 -10.420   6.081
  656   HD21  LEU  71          HD21      LEU  71 -17.643  -6.862   6.105
  657   HD22  LEU  71          HD22      LEU  71 -19.408  -6.780   6.041
  658   HD23  LEU  71          HD23      LEU  71 -18.544  -6.404   7.553
  659    H    GLN  72           H        GLN  72 -22.380  -6.560   8.696
  660    HA   GLN  72           HA       GLN  72 -24.205  -7.892  10.467
  661    HB2  GLN  72           HB2      GLN  72 -24.553  -5.606   8.524
  662    HB3  GLN  72           HB3      GLN  72 -25.856  -6.231   9.549
  663    HG2  GLN  72           HG2      GLN  72 -24.535  -5.796  11.585
  664    HG3  GLN  72           HG3      GLN  72 -23.179  -5.221  10.625
  665   HE21  GLN  72          HE21      GLN  72 -24.842  -2.141  11.742
  666   HE22  GLN  72          HE22      GLN  72 -23.855  -3.427  12.420
  667    H    LEU  73           H        LEU  73 -24.814  -9.854  10.002
  668    HA   LEU  73           HA       LEU  73 -26.185 -10.563   7.462
  669    HB2  LEU  73           HB2      LEU  73 -23.822 -11.985   8.766
  670    HB3  LEU  73           HB3      LEU  73 -24.775 -12.680   7.464
  671    HG   LEU  73           HG       LEU  73 -23.153 -10.104   7.165
  672   HD11  LEU  73          HD11      LEU  73 -21.543 -11.511   5.950
  673   HD12  LEU  73          HD12      LEU  73 -21.692 -11.971   7.649
  674   HD13  LEU  73          HD13      LEU  73 -22.477 -12.961   6.401
  675   HD21  LEU  73          HD21      LEU  73 -24.975 -10.305   5.513
  676   HD22  LEU  73          HD22      LEU  73 -23.410 -10.579   4.743
  677   HD23  LEU  73          HD23      LEU  73 -24.463 -11.964   5.122
  678    H    ASN  74           H        ASN  74 -27.177 -12.750   7.618
  679    HA   ASN  74           HA       ASN  74 -27.917 -13.815  10.226
  680    HB2  ASN  74           HB2      ASN  74 -29.390 -11.730   9.843
  681    HB3  ASN  74           HB3      ASN  74 -30.091 -12.567   8.463
  682   HD21  ASN  74          HD21      ASN  74 -32.468 -13.233  11.129
  683   HD22  ASN  74          HD22      ASN  74 -32.033 -11.991   9.960
  684    H    ALA  75           H        ALA  75 -29.414 -15.762   9.860
  685    HA   ALA  75           HA       ALA  75 -28.245 -17.552   8.068
  686    HB1  ALA  75           HB1      ALA  75 -31.024 -17.636   9.338
  687    HB2  ALA  75           HB2      ALA  75 -30.117 -19.036   8.719
  688    HB3  ALA  75           HB3      ALA  75 -29.501 -18.138  10.118
  689    H    ASN  76           H        ASN  76 -31.116 -15.550   7.485
  690    HA   ASN  76           HA       ASN  76 -31.918 -16.840   5.022
  691    HB2  ASN  76           HB2      ASN  76 -33.438 -15.632   6.555
  692    HB3  ASN  76           HB3      ASN  76 -32.584 -14.120   6.234
  693   HD21  ASN  76          HD21      ASN  76 -34.713 -13.441   3.525
  694   HD22  ASN  76          HD22      ASN  76 -33.709 -12.841   4.841
  695    H    GLN  77           H        GLN  77 -29.436 -14.463   5.693
  696    HA   GLN  77           HA       GLN  77 -29.465 -13.336   2.961
  697    HB2  GLN  77           HB2      GLN  77 -29.136 -11.847   4.901
  698    HB3  GLN  77           HB3      GLN  77 -27.692 -12.746   5.361
  699    HG2  GLN  77           HG2      GLN  77 -27.086 -10.670   4.233
  700    HG3  GLN  77           HG3      GLN  77 -26.547 -12.051   3.288
  701   HE21  GLN  77          HE21      GLN  77 -29.556  -9.642   1.794
  702   HE22  GLN  77          HE22      GLN  77 -29.073  -9.479   3.473
  703    H    ALA  78           H        ALA  78 -28.011 -13.821   1.366
  704    HA   ALA  78           HA       ALA  78 -26.359 -16.236   1.680
  705    HB1  ALA  78           HB1      ALA  78 -27.748 -15.886  -0.325
  706    HB2  ALA  78           HB2      ALA  78 -26.824 -14.416  -0.717
  707    HB3  ALA  78           HB3      ALA  78 -26.027 -16.004  -0.729
  708    H    PHE  79           H        PHE  79 -24.279 -16.206   2.289
  709    HA   PHE  79           HA       PHE  79 -22.456 -14.192   1.306
  710    HB2  PHE  79           HB2      PHE  79 -22.982 -12.868   3.096
  711    HB3  PHE  79           HB3      PHE  79 -23.167 -14.222   4.193
  712    HD1  PHE  79           HD1      PHE  79 -21.211 -15.359   5.193
  713    HD2  PHE  79           HD2      PHE  79 -20.760 -11.835   2.773
  714    HE1  PHE  79           HE1      PHE  79 -18.902 -15.072   6.057
  715    HE2  PHE  79           HE2      PHE  79 -18.476 -11.510   3.697
  716    HZ   PHE  79           HZ       PHE  79 -17.537 -13.138   5.298
  717    H    PHE  80           H        PHE  80 -20.468 -14.775   0.919
  718    HA   PHE  80           HA       PHE  80 -19.313 -17.150   2.278
  719    HB2  PHE  80           HB2      PHE  80 -19.386 -16.690  -0.720
  720    HB3  PHE  80           HB3      PHE  80 -18.366 -17.868   0.094
  721    HD1  PHE  80           HD1      PHE  80 -19.191 -19.997   0.837
  722    HD2  PHE  80           HD2      PHE  80 -21.875 -17.022  -0.754
  723    HE1  PHE  80           HE1      PHE  80 -20.964 -21.719   0.606
  724    HE2  PHE  80           HE2      PHE  80 -23.652 -18.745  -0.983
  725    HZ   PHE  80           HZ       PHE  80 -23.197 -21.095  -0.308
  726    H    LEU  81           H        LEU  81 -17.323 -16.805   3.039
  727    HA   LEU  81           HA       LEU  81 -15.670 -14.559   1.991
  728    HB2  LEU  81           HB2      LEU  81 -16.059 -14.669   4.386
  729    HB3  LEU  81           HB3      LEU  81 -15.455 -16.301   4.466
  730    HG   LEU  81           HG       LEU  81 -13.954 -14.625   5.410
  731   HD11  LEU  81          HD11      LEU  81 -12.496 -15.728   3.004
  732   HD12  LEU  81          HD12      LEU  81 -11.917 -15.409   4.653
  733   HD13  LEU  81          HD13      LEU  81 -13.034 -16.754   4.352
  734   HD21  LEU  81          HD21      LEU  81 -13.535 -13.551   2.594
  735   HD22  LEU  81          HD22      LEU  81 -14.406 -12.727   3.915
  736   HD23  LEU  81          HD23      LEU  81 -12.672 -13.069   4.071
  737    H    LEU  82           H        LEU  82 -14.147 -14.961   0.556
  738    HA   LEU  82           HA       LEU  82 -13.527 -17.773  -0.231
  739    HB2  LEU  82           HB2      LEU  82 -13.562 -15.312  -2.004
  740    HB3  LEU  82           HB3      LEU  82 -13.553 -16.997  -2.499
  741    HG   LEU  82           HG       LEU  82 -15.899 -15.523  -1.200
  742   HD11  LEU  82          HD11      LEU  82 -15.502 -16.509  -4.053
  743   HD12  LEU  82          HD12      LEU  82 -16.959 -15.748  -3.398
  744   HD13  LEU  82          HD13      LEU  82 -15.466 -14.810  -3.515
  745   HD21  LEU  82          HD21      LEU  82 -15.987 -17.916  -0.634
  746   HD22  LEU  82          HD22      LEU  82 -17.197 -17.545  -1.875
  747   HD23  LEU  82          HD23      LEU  82 -15.688 -18.332  -2.343
  748    H    VAL  83           H        VAL  83 -11.462 -18.334  -0.800
  749    HA   VAL  83           HA       VAL  83  -9.337 -16.280  -0.462
  750    HB   VAL  83           HB       VAL  83  -7.793 -17.663   0.380
  751   HG11  VAL  83          HG11      VAL  83  -9.671 -17.255   1.992
  752   HG12  VAL  83          HG12      VAL  83 -10.358 -18.822   1.563
  753   HG13  VAL  83          HG13      VAL  83  -8.756 -18.745   2.325
  754   HG21  VAL  83          HG21      VAL  83  -7.981 -20.157   0.518
  755   HG22  VAL  83          HG22      VAL  83  -9.419 -20.063  -0.528
  756   HG23  VAL  83          HG23      VAL  83  -7.831 -19.541  -1.131
  757    H    ASN  84           H        ASN  84  -8.151 -15.725  -2.134
  758    HA   ASN  84           HA       ASN  84  -7.961 -15.255  -4.364
  759    HB2  ASN  84           HB2      ASN  84  -6.243 -17.051  -3.775
  760    HB3  ASN  84           HB3      ASN  84  -7.275 -18.211  -4.602
  761   HD21  ASN  84          HD21      ASN  84  -4.790 -17.160  -7.086
  762   HD22  ASN  84          HD22      ASN  84  -4.857 -18.115  -5.599
  763    H    GLY  85           H        GLY  85 -10.605 -15.492  -3.776
  764    HA2  GLY  85           HA2      GLY  85 -12.620 -15.432  -4.837
  765    HA3  GLY  85           HA3      GLY  85 -11.837 -15.943  -6.334
  766    H    HIS  86           H        HIS  86 -11.273 -18.356  -3.959
  767    HA   HIS  86           HA       HIS  86 -13.757 -19.871  -4.727
  768    HB2  HIS  86           HB2      HIS  86 -11.711 -20.809  -5.710
  769    HB3  HIS  86           HB3      HIS  86 -10.957 -20.901  -4.125
  770    HD1  HIS  86           HD1      HIS  86 -11.230 -23.227  -2.966
  771    HD2  HIS  86           HD2      HIS  86 -14.236 -22.320  -5.802
  772    HE1  HIS  86           HE1      HIS  86 -12.763 -25.286  -3.086
  773    HE2  HIS  86           HE2      HIS  86 -14.588 -24.732  -4.822
  774    H    SER  87           H        SER  87 -14.871 -21.075  -3.149
  775    HA   SER  87           HA       SER  87 -14.816 -19.962  -0.485
  776    HB2  SER  87           HB2      SER  87 -16.900 -20.669  -1.495
  777    HB3  SER  87           HB3      SER  87 -16.320 -22.345  -1.594
  778    HG   SER  87           HG       SER  87 -17.592 -22.079   0.264
  779    H    MET  88           H        MET  88 -14.261 -20.809   1.457
  780    HA   MET  88           HA       MET  88 -12.871 -23.461   1.570
  781    HB2  MET  88           HB2      MET  88 -12.073 -20.915   3.024
  782    HB3  MET  88           HB3      MET  88 -11.389 -22.516   3.324
  783    HG2  MET  88           HG2      MET  88 -11.268 -21.138   0.627
  784    HG3  MET  88           HG3      MET  88 -10.022 -21.009   1.860
  785    HE1  MET  88           HE1      MET  88  -9.158 -23.460   3.085
  786    HE2  MET  88           HE2      MET  88  -8.114 -24.253   1.883
  787    HE3  MET  88           HE3      MET  88  -8.033 -22.494   2.102
  788    H    VAL  89           H        VAL  89 -15.740 -22.348   2.293
  789    HA   VAL  89           HA       VAL  89 -15.995 -22.511   5.149
  790    HB   VAL  89           HB       VAL  89 -18.104 -23.058   3.023
  791   HG11  VAL  89          HG11      VAL  89 -18.397 -22.287   5.962
  792   HG12  VAL  89          HG12      VAL  89 -19.718 -22.294   4.775
  793   HG13  VAL  89          HG13      VAL  89 -18.926 -23.807   5.207
  794   HG21  VAL  89          HG21      VAL  89 -17.423 -20.456   4.467
  795   HG22  VAL  89          HG22      VAL  89 -17.093 -20.794   2.761
  796   HG23  VAL  89          HG23      VAL  89 -18.760 -20.706   3.322
  797    H    SER  90           H        SER  90 -15.800 -25.042   2.740
  798    HA   SER  90           HA       SER  90 -16.762 -27.204   4.408
  799    HB2  SER  90           HB2      SER  90 -15.964 -28.595   2.516
  800    HB3  SER  90           HB3      SER  90 -17.001 -27.258   1.998
  801    HG   SER  90           HG       SER  90 -15.083 -27.479   0.708
  802    H    VAL  91           H        VAL  91 -13.815 -25.527   4.713
  803    HA   VAL  91           HA       VAL  91 -12.472 -27.950   5.747
  804    HB   VAL  91           HB       VAL  91 -11.917 -27.484   3.319
  805   HG11  VAL  91          HG11      VAL  91 -11.483 -25.052   3.514
  806   HG12  VAL  91          HG12      VAL  91 -10.076 -25.386   4.545
  807   HG13  VAL  91          HG13      VAL  91 -10.100 -25.946   2.862
  808   HG21  VAL  91          HG21      VAL  91  -9.655 -28.276   3.573
  809   HG22  VAL  91          HG22      VAL  91  -9.602 -27.780   5.267
  810   HG23  VAL  91          HG23      VAL  91 -10.698 -29.082   4.743
  811    H    SER  92           H        SER  92 -10.920 -27.867   7.245
  812    HA   SER  92           HA       SER  92 -11.071 -25.514   9.019
  813    HB2  SER  92           HB2      SER  92 -10.524 -27.170  10.778
  814    HB3  SER  92           HB3      SER  92 -11.973 -27.579   9.854
  815    HG   SER  92           HG       SER  92 -10.565 -29.399  10.137
  816    H    THR  93           H        THR  93  -8.950 -25.922   6.753
  817    HA   THR  93           HA       THR  93  -6.480 -26.459   7.714
  818    HB   THR  93           HB       THR  93  -6.804 -24.243   5.737
  819    HG1  THR  93           HG1      THR  93  -7.183 -25.935   4.194
  820   HG21  THR  93          HG21      THR  93  -4.501 -24.966   6.145
  821   HG22  THR  93          HG22      THR  93  -4.955 -26.668   5.850
  822   HG23  THR  93          HG23      THR  93  -5.009 -25.472   4.535
  823    HA   PRO  94           HA       PRO  94  -5.091 -23.119  10.417
  824    HB2  PRO  94           HB2      PRO  94  -2.359 -23.952   9.446
  825    HB3  PRO  94           HB3      PRO  94  -2.915 -23.615  11.117
  826    HG2  PRO  94           HG2      PRO  94  -2.629 -26.168  10.288
  827    HG3  PRO  94           HG3      PRO  94  -4.086 -25.704  11.225
  828    HD2  PRO  94           HD2      PRO  94  -3.812 -26.008   8.220
  829    HD3  PRO  94           HD3      PRO  94  -5.086 -26.639   9.315
  830    H    ILE  95           H        ILE  95  -4.684 -20.903  10.075
  831    HA   ILE  95           HA       ILE  95  -4.864 -20.001   7.414
  832    HB   ILE  95           HB       ILE  95  -5.693 -18.788   9.408
  833   HG12  ILE  95          HG12      ILE  95  -5.258 -16.526   8.697
  834   HG13  ILE  95          HG13      ILE  95  -3.822 -16.996   7.791
  835   HG21  ILE  95          HG21      ILE  95  -2.835 -17.786   9.832
  836   HG22  ILE  95          HG22      ILE  95  -4.270 -17.424  10.802
  837   HG23  ILE  95          HG23      ILE  95  -3.587 -19.044  10.834
  838   HD11  ILE  95          HD11      ILE  95  -5.175 -18.136   6.134
  839   HD12  ILE  95          HD12      ILE  95  -6.639 -17.967   7.141
  840   HD13  ILE  95          HD13      ILE  95  -5.875 -16.538   6.416
  841    H    SER  96           H        SER  96  -1.906 -20.525   9.281
  842    HA   SER  96           HA       SER  96  -0.109 -19.089   7.555
  843    HB2  SER  96           HB2      SER  96   0.479 -19.893   9.811
  844    HB3  SER  96           HB3      SER  96   0.383 -21.573   9.244
  845    HG   SER  96           HG       SER  96   2.551 -20.796   9.199
  846    H    GLU  97           H        GLU  97  -1.390 -22.446   7.360
  847    HA   GLU  97           HA       GLU  97   0.207 -23.188   5.049
  848    HB2  GLU  97           HB2      GLU  97  -0.636 -24.887   6.565
  849    HB3  GLU  97           HB3      GLU  97  -2.284 -24.335   6.333
  850    HG2  GLU  97           HG2      GLU  97  -2.015 -26.365   5.134
  851    HG3  GLU  97           HG3      GLU  97  -2.242 -25.080   3.970
  852    H    VAL  98           H        VAL  98  -3.149 -21.975   5.445
  853    HA   VAL  98           HA       VAL  98  -3.747 -21.857   2.618
  854    HB   VAL  98           HB       VAL  98  -4.830 -20.012   4.776
  855   HG11  VAL  98          HG11      VAL  98  -5.978 -20.862   2.080
  856   HG12  VAL  98          HG12      VAL  98  -6.808 -19.865   3.300
  857   HG13  VAL  98          HG13      VAL  98  -5.366 -19.245   2.493
  858   HG21  VAL  98          HG21      VAL  98  -5.255 -22.333   5.467
  859   HG22  VAL  98          HG22      VAL  98  -6.749 -21.590   4.906
  860   HG23  VAL  98          HG23      VAL  98  -5.879 -22.720   3.848
  861    H    TYR  99           H        TYR  99  -2.089 -19.574   4.796
  862    HA   TYR  99           HA       TYR  99  -1.706 -17.569   2.832
  863    HB2  TYR  99           HB2      TYR  99  -1.565 -16.843   4.986
  864    HB3  TYR  99           HB3      TYR  99  -0.412 -18.080   5.453
  865    HD1  TYR  99           HD1      TYR  99  -0.806 -14.754   4.052
  866    HD2  TYR  99           HD2      TYR  99   1.998 -17.932   4.845
  867    HE1  TYR  99           HE1      TYR  99   1.052 -13.213   3.599
  868    HE2  TYR  99           HE2      TYR  99   3.886 -16.349   4.462
  869    HH   TYR  99           HH       TYR  99   3.335 -12.949   3.471
  870    H    GLU 100           H        GLU 100   0.817 -19.962   3.785
  871    HA   GLU 100           HA       GLU 100   2.602 -19.083   1.744
  872    HB2  GLU 100           HB2      GLU 100   2.317 -21.808   3.082
  873    HB3  GLU 100           HB3      GLU 100   3.646 -21.348   1.999
  874    HG2  GLU 100           HG2      GLU 100   4.137 -19.399   3.530
  875    HG3  GLU 100           HG3      GLU 100   2.968 -20.064   4.675
  876    H    SER 101           H        SER 101  -0.183 -21.233   1.438
  877    HA   SER 101           HA       SER 101   0.559 -22.160  -1.243
  878    HB2  SER 101           HB2      SER 101  -1.657 -23.234  -1.245
  879    HB3  SER 101           HB3      SER 101  -0.647 -23.683   0.137
  880    HG   SER 101           HG       SER 101  -1.872 -22.538   1.474
  881    H    GLU 102           H        GLU 102  -1.428 -19.453  -0.050
  882    HA   GLU 102           HA       GLU 102  -2.008 -18.726  -2.899
  883    HB2  GLU 102           HB2      GLU 102  -3.888 -18.626  -0.538
  884    HB3  GLU 102           HB3      GLU 102  -4.231 -17.839  -2.071
  885    HG2  GLU 102           HG2      GLU 102  -3.810 -20.830  -1.652
  886    HG3  GLU 102           HG3      GLU 102  -5.355 -20.014  -1.785
  887    H    LYS 103           H        LYS 103  -0.058 -17.738  -0.672
  888    HA   LYS 103           HA       LYS 103  -0.236 -14.919  -0.510
  889    HB2  LYS 103           HB2      LYS 103   1.222 -16.110   0.887
  890    HB3  LYS 103           HB3      LYS 103   1.941 -17.000  -0.462
  891    HG2  LYS 103           HG2      LYS 103   3.103 -14.875  -1.161
  892    HG3  LYS 103           HG3      LYS 103   2.477 -14.120   0.333
  893    HD2  LYS 103           HD2      LYS 103   3.504 -16.033   1.632
  894    HD3  LYS 103           HD3      LYS 103   4.191 -16.658   0.141
  895    HE2  LYS 103           HE2      LYS 103   4.832 -13.957   1.397
  896    HE3  LYS 103           HE3      LYS 103   5.788 -15.430   1.563
  897    HZ1  LYS 103           HZ1      LYS 103   6.167 -15.415  -0.854
  898    HZ2  LYS 103           HZ2      LYS 103   5.308 -14.027  -1.031
  899    HZ3  LYS 103           HZ3      LYS 103   6.709 -14.033  -0.189
  900    H    ASP 104           H        ASP 104   0.291 -13.264  -1.764
  901    HA   ASP 104           HA       ASP 104   1.171 -13.721  -4.578
  902    HB2  ASP 104           HB2      ASP 104  -1.029 -12.636  -4.100
  903    HB3  ASP 104           HB3      ASP 104  -0.173 -11.325  -3.284
  904    H    GLU 105           H        GLU 105   2.406 -11.747  -5.470
  905    HA   GLU 105           HA       GLU 105   5.028 -11.809  -4.395
  906    HB2  GLU 105           HB2      GLU 105   3.766  -9.887  -6.392
  907    HB3  GLU 105           HB3      GLU 105   5.494 -10.074  -6.154
  908    HG2  GLU 105           HG2      GLU 105   3.606 -12.255  -7.152
  909    HG3  GLU 105           HG3      GLU 105   4.656 -11.259  -8.150
  910    H    ASP 106           H        ASP 106   2.483  -9.566  -3.573
  911    HA   ASP 106           HA       ASP 106   4.258  -7.488  -2.499
  912    HB2  ASP 106           HB2      ASP 106   2.207  -6.496  -1.611
  913    HB3  ASP 106           HB3      ASP 106   2.079  -6.844  -3.328
  914    H    GLY 107           H        GLY 107   3.440 -10.576  -1.467
  915    HA2  GLY 107           HA2      GLY 107   4.280 -11.636   0.464
  916    HA3  GLY 107           HA3      GLY 107   4.407 -10.094   1.297
  917    H    PHE 108           H        PHE 108   1.327 -10.193  -0.137
  918    HA   PHE 108           HA       PHE 108   0.093 -11.046   2.425
  919    HB2  PHE 108           HB2      PHE 108  -0.931  -9.289   0.186
  920    HB3  PHE 108           HB3      PHE 108  -1.927  -9.893   1.486
  921    HD1  PHE 108           HD1      PHE 108   1.031  -7.740   0.783
  922    HD2  PHE 108           HD2      PHE 108  -2.078  -8.798   3.576
  923    HE1  PHE 108           HE1      PHE 108   1.539  -5.715   2.121
  924    HE2  PHE 108           HE2      PHE 108  -1.544  -6.787   4.933
  925    HZ   PHE 108           HZ       PHE 108   0.260  -5.234   4.198
  926    H    LEU 109           H        LEU 109  -1.685 -12.387   2.598
  927    HA   LEU 109           HA       LEU 109  -2.244 -14.243   0.328
  928    HB2  LEU 109           HB2      LEU 109  -2.106 -15.341   2.405
  929    HB3  LEU 109           HB3      LEU 109  -3.045 -14.097   3.233
  930    HG   LEU 109           HG       LEU 109  -5.094 -14.889   1.978
  931   HD11  LEU 109          HD11      LEU 109  -4.011 -15.984   0.061
  932   HD12  LEU 109          HD12      LEU 109  -3.234 -17.146   1.152
  933   HD13  LEU 109          HD13      LEU 109  -5.005 -17.127   0.965
  934   HD21  LEU 109          HD21      LEU 109  -4.636 -15.626   4.276
  935   HD22  LEU 109          HD22      LEU 109  -5.359 -16.944   3.327
  936   HD23  LEU 109          HD23      LEU 109  -3.632 -16.951   3.674
  937    H    TYR 110           H        TYR 110  -4.085 -14.079  -0.950
  938    HA   TYR 110           HA       TYR 110  -5.805 -11.746  -0.430
  939    HB2  TYR 110           HB2      TYR 110  -5.081 -13.070  -2.973
  940    HB3  TYR 110           HB3      TYR 110  -6.581 -12.165  -2.834
  941    HD1  TYR 110           HD1      TYR 110  -6.617  -9.786  -2.855
  942    HD2  TYR 110           HD2      TYR 110  -2.878 -11.876  -2.249
  943    HE1  TYR 110           HE1      TYR 110  -5.370  -7.630  -2.998
  944    HE2  TYR 110           HE2      TYR 110  -1.657  -9.718  -2.360
  945    HH   TYR 110           HH       TYR 110  -1.810  -7.512  -2.581
  946    H    MET 111           H        MET 111  -7.695 -11.698   0.357
  947    HA   MET 111           HA       MET 111  -9.523 -13.958  -0.249
  948    HB2  MET 111           HB2      MET 111  -9.493 -12.359   2.347
  949    HB3  MET 111           HB3      MET 111 -10.658 -13.607   1.886
  950    HG2  MET 111           HG2      MET 111  -8.670 -15.206   1.669
  951    HG3  MET 111           HG3      MET 111  -7.706 -13.967   2.479
  952    HE1  MET 111           HE1      MET 111  -7.770 -16.820   3.374
  953    HE2  MET 111           HE2      MET 111  -6.994 -15.664   4.481
  954    HE3  MET 111           HE3      MET 111  -8.170 -16.838   5.100
  955    H    VAL 112           H        VAL 112 -11.651 -13.465  -0.683
  956    HA   VAL 112           HA       VAL 112 -12.488 -10.649  -0.710
  957    HB   VAL 112           HB       VAL 112 -13.463 -10.709  -2.928
  958   HG11  VAL 112          HG11      VAL 112 -11.102  -9.916  -2.726
  959   HG12  VAL 112          HG12      VAL 112 -10.545 -11.538  -3.182
  960   HG13  VAL 112          HG13      VAL 112 -11.499 -10.569  -4.320
  961   HG21  VAL 112          HG21      VAL 112 -12.942 -12.512  -4.540
  962   HG22  VAL 112          HG22      VAL 112 -12.193 -13.459  -3.240
  963   HG23  VAL 112          HG23      VAL 112 -13.935 -13.088  -3.192
  964    H    TYR 113           H        TYR 113 -14.987 -10.510  -0.929
  965    HA   TYR 113           HA       TYR 113 -16.237 -13.147  -0.263
  966    HB2  TYR 113           HB2      TYR 113 -17.369 -12.340   1.654
  967    HB3  TYR 113           HB3      TYR 113 -15.672 -11.976   1.876
  968    HD1  TYR 113           HD1      TYR 113 -14.850  -9.603   1.703
  969    HD2  TYR 113           HD2      TYR 113 -19.038 -10.621   1.435
  970    HE1  TYR 113           HE1      TYR 113 -15.469  -7.241   2.220
  971    HE2  TYR 113           HE2      TYR 113 -19.643  -8.267   1.985
  972    HH   TYR 113           HH       TYR 113 -18.811  -6.276   2.807
  973    H    ALA 114           H        ALA 114 -18.450 -13.282  -0.615
  974    HA   ALA 114           HA       ALA 114 -19.774 -11.253  -2.331
  975    HB1  ALA 114           HB1      ALA 114 -18.152 -12.496  -3.788
  976    HB2  ALA 114           HB2      ALA 114 -18.950 -14.012  -3.355
  977    HB3  ALA 114           HB3      ALA 114 -19.831 -12.747  -4.260
  978    H    SER 115           H        SER 115 -21.907 -11.984  -3.049
  979    HA   SER 115           HA       SER 115 -23.494 -13.390  -1.070
  980    HB2  SER 115           HB2      SER 115 -25.313 -12.819  -2.686
  981    HB3  SER 115           HB3      SER 115 -24.308 -11.415  -2.257
  982    HG   SER 115           HG       SER 115 -24.668 -11.640  -4.558
  983    H    GLN 116           H        GLN 116 -21.378 -14.866  -2.927
  984    HA   GLN 116           HA       GLN 116 -22.985 -17.225  -3.641
  985    HB2  GLN 116           HB2      GLN 116 -22.359 -17.118  -6.019
  986    HB3  GLN 116           HB3      GLN 116 -23.308 -15.722  -5.538
  987    HG2  GLN 116           HG2      GLN 116 -20.767 -14.713  -5.189
  988    HG3  GLN 116           HG3      GLN 116 -20.476 -15.868  -6.471
  989   HE21  GLN 116          HE21      GLN 116 -22.920 -12.620  -7.238
  990   HE22  GLN 116          HE22      GLN 116 -22.694 -13.081  -5.568
  991    H    GLU 117           H        GLU 117 -21.724 -19.096  -4.090
  992    HA   GLU 117           HA       GLU 117 -19.371 -19.325  -2.495
  993    HB2  GLU 117           HB2      GLU 117 -21.114 -21.076  -3.025
  994    HB3  GLU 117           HB3      GLU 117 -20.382 -21.237  -4.633
  995    HG2  GLU 117           HG2      GLU 117 -18.237 -21.911  -3.573
  996    HG3  GLU 117           HG3      GLU 117 -18.991 -21.745  -1.979
  997    H    THR 118           H        THR 118 -19.749 -18.865  -5.967
  998    HA   THR 118           HA       THR 118 -16.918 -18.071  -6.331
  999    HB   THR 118           HB       THR 118 -17.069 -19.483  -8.585
 1000    HG1  THR 118           HG1      THR 118 -19.078 -20.461  -8.252
 1001   HG21  THR 118          HG21      THR 118 -15.318 -19.775  -6.876
 1002   HG22  THR 118          HG22      THR 118 -16.375 -20.915  -6.003
 1003   HG23  THR 118          HG23      THR 118 -15.799 -21.296  -7.647
 1004    H    PHE 119           H        PHE 119 -17.044 -16.284  -7.646
 1005    HA   PHE 119           HA       PHE 119 -19.531 -15.629  -8.994
 1006    HB2  PHE 119           HB2      PHE 119 -18.177 -13.602  -9.811
 1007    HB3  PHE 119           HB3      PHE 119 -18.804 -13.721  -8.179
 1008    HD1  PHE 119           HD1      PHE 119 -15.683 -14.178 -10.208
 1009    HD2  PHE 119           HD2      PHE 119 -17.377 -13.604  -6.285
 1010    HE1  PHE 119           HE1      PHE 119 -13.408 -13.825  -9.273
 1011    HE2  PHE 119           HE2      PHE 119 -15.113 -13.244  -5.358
 1012    HZ   PHE 119           HZ       PHE 119 -13.117 -13.352  -6.849
 1013    H    GLY 120           H        GLY 120 -19.985 -15.245 -11.112
 1014    HA2  GLY 120           HA2      GLY 120 -18.563 -17.033 -13.028
 1015    HA3  GLY 120           HA3      GLY 120 -20.194 -16.397 -13.197
 1016    H1   ASP  10           H1       ASP  10 -11.938  -3.062  19.104
 1017    H2   ASP  10           H2       ASP  10 -10.555  -2.919  19.976
 1018    H3   ASP  10           H3       ASP  10 -11.949  -2.269  20.535
 1019    HA   ASP  10           HA       ASP  10 -12.062  -0.692  18.808
 1020    HB2  ASP  10           HB2      ASP  10  -9.495  -0.591  20.363
 1021    HB3  ASP  10           HB3      ASP  10  -9.996   0.685  19.254
 1022    H    TYR  11           H        TYR  11  -8.625  -1.605  18.316
 1023    HA   TYR  11           HA       TYR  11  -8.700  -0.594  15.730
 1024    HB2  TYR  11           HB2      TYR  11  -6.692  -2.212  17.219
 1025    HB3  TYR  11           HB3      TYR  11  -6.493  -2.029  15.493
 1026    HD1  TYR  11           HD1      TYR  11  -6.113  -0.367  18.700
 1027    HD2  TYR  11           HD2      TYR  11  -6.394   0.244  14.427
 1028    HE1  TYR  11           HE1      TYR  11  -5.084   1.885  18.950
 1029    HE2  TYR  11           HE2      TYR  11  -5.361   2.501  14.688
 1030    HH   TYR  11           HH       TYR  11  -4.375   3.798  17.890
 1031    H    GLU  12           H        GLU  12  -8.981  -1.106  13.702
 1032    HA   GLU  12           HA       GLU  12  -8.773  -3.877  12.874
 1033    HB2  GLU  12           HB2      GLU  12 -11.117  -3.756  13.612
 1034    HB3  GLU  12           HB3      GLU  12 -11.386  -2.343  12.598
 1035    HG2  GLU  12           HG2      GLU  12 -12.392  -4.317  11.639
 1036    HG3  GLU  12           HG3      GLU  12 -11.154  -3.686  10.574
 1037    H    SER  13           H        SER  13  -8.352  -4.206  10.735
 1038    HA   SER  13           HA       SER  13  -7.419  -3.801   8.708
 1039    HB2  SER  13           HB2      SER  13 -10.091  -2.477   8.773
 1040    HB3  SER  13           HB3      SER  13  -9.173  -2.517   7.263
 1041    HG   SER  13           HG       SER  13  -9.643  -4.866   8.829
 1042    H    ASP  14           H        ASP  14  -6.660  -1.362  10.603
 1043    HA   ASP  14           HA       ASP  14  -6.122   0.681   8.603
 1044    HB2  ASP  14           HB2      ASP  14  -6.997   1.285  10.758
 1045    HB3  ASP  14           HB3      ASP  14  -5.582   0.595  11.561
 1046    H    ASP  15           H        ASP  15  -3.478   0.717  10.780
 1047    HA   ASP  15           HA       ASP  15  -1.558  -0.600   9.011
 1048    HB2  ASP  15           HB2      ASP  15  -2.348   1.627   7.902
 1049    HB3  ASP  15           HB3      ASP  15  -1.546   2.447   9.240
 1050    H    ASP  16           H        ASP  16   0.631  -0.139   9.760
 1051    HA   ASP  16           HA       ASP  16   2.180  -0.416  11.357
 1052    HB2  ASP  16           HB2      ASP  16   2.544   1.745  10.736
 1053    HB3  ASP  16           HB3      ASP  16   1.199   2.361  11.691
 1054    H    SER  17           H        SER  17   0.465   1.371  13.879
 1055    HA   SER  17           HA       SER  17   1.343  -0.642  15.775
 1056    HB2  SER  17           HB2      SER  17   0.445   0.921  17.450
 1057    HB3  SER  17           HB3      SER  17   1.513   1.724  16.283
 1058    HG   SER  17           HG       SER  17  -0.415   2.932  16.649
 1059    H    TYR  18           H        TYR  18  -1.466  -0.511  13.912
 1060    HA   TYR  18           HA       TYR  18  -3.494  -1.133  15.814
 1061    HB2  TYR  18           HB2      TYR  18  -4.860  -1.390  13.974
 1062    HB3  TYR  18           HB3      TYR  18  -3.678  -0.249  13.398
 1063    HD1  TYR  18           HD1      TYR  18  -5.724  -2.606  12.289
 1064    HD2  TYR  18           HD2      TYR  18  -1.477  -1.890  12.322
 1065    HE1  TYR  18           HE1      TYR  18  -5.451  -3.915  10.150
 1066    HE2  TYR  18           HE2      TYR  18  -1.231  -3.148  10.207
 1067    HH   TYR  18           HH       TYR  18  -2.286  -4.399   8.585
 1068    H    GLU  19           H        GLU  19  -4.362  -3.098  16.508
 1069    HA   GLU  19           HA       GLU  19  -2.690  -5.502  16.082
 1070    HB2  GLU  19           HB2      GLU  19  -4.676  -4.749  18.236
 1071    HB3  GLU  19           HB3      GLU  19  -3.954  -6.349  18.131
 1072    HG2  GLU  19           HG2      GLU  19  -2.405  -3.745  18.445
 1073    HG3  GLU  19           HG3      GLU  19  -2.763  -4.896  19.724
 1074    H    VAL  20           H        VAL  20  -5.744  -4.486  15.014
 1075    HA   VAL  20           HA       VAL  20  -7.183  -5.324  13.585
 1076    HB   VAL  20           HB       VAL  20  -4.825  -6.037  12.668
 1077   HG11  VAL  20          HG11      VAL  20  -6.199  -8.671  12.205
 1078   HG12  VAL  20          HG12      VAL  20  -4.474  -8.218  12.190
 1079   HG13  VAL  20          HG13      VAL  20  -5.304  -8.462  13.702
 1080   HG21  VAL  20          HG21      VAL  20  -6.844  -5.260  11.380
 1081   HG22  VAL  20          HG22      VAL  20  -5.757  -6.358  10.538
 1082   HG23  VAL  20          HG23      VAL  20  -7.311  -6.942  11.173
 1083    H    LEU  21           H        LEU  21  -8.696  -6.829  12.768
 1084    HA   LEU  21           HA       LEU  21 -10.310  -8.357  12.804
 1085    HB2  LEU  21           HB2      LEU  21  -8.406  -9.925  14.563
 1086    HB3  LEU  21           HB3      LEU  21  -9.988 -10.543  14.144
 1087    HG   LEU  21           HG       LEU  21  -8.155  -9.661  11.923
 1088   HD11  LEU  21          HD11      LEU  21  -7.226 -11.938  11.828
 1089   HD12  LEU  21          HD12      LEU  21  -6.773 -11.131  13.339
 1090   HD13  LEU  21          HD13      LEU  21  -8.069 -12.358  13.335
 1091   HD21  LEU  21          HD21      LEU  21 -10.205 -11.902  12.142
 1092   HD22  LEU  21          HD22      LEU  21 -10.501 -10.307  11.401
 1093   HD23  LEU  21          HD23      LEU  21  -9.334 -11.426  10.679
 1094    H    ASP  22           H        ASP  22  -9.722  -6.287  15.061
 1095    HA   ASP  22           HA       ASP  22 -10.413  -5.617  16.995
 1096    HB2  ASP  22           HB2      ASP  22 -12.285  -4.943  15.738
 1097    HB3  ASP  22           HB3      ASP  22 -13.025  -6.535  15.815
 1098    H    LEU  23           H        LEU  23  -9.126  -8.012  17.163
 1099    HA   LEU  23           HA       LEU  23 -10.329  -9.460  19.483
 1100    HB2  LEU  23           HB2      LEU  23 -10.958 -10.640  17.456
 1101    HB3  LEU  23           HB3      LEU  23  -9.323 -10.521  16.826
 1102    HG   LEU  23           HG       LEU  23  -8.524 -12.069  18.629
 1103   HD11  LEU  23          HD11      LEU  23 -10.195 -13.428  19.824
 1104   HD12  LEU  23          HD12      LEU  23 -10.345 -11.732  20.288
 1105   HD13  LEU  23          HD13      LEU  23 -11.511 -12.439  19.148
 1106   HD21  LEU  23          HD21      LEU  23 -10.748 -13.143  16.848
 1107   HD22  LEU  23          HD22      LEU  23  -9.059 -12.872  16.362
 1108   HD23  LEU  23          HD23      LEU  23  -9.438 -14.090  17.589
 1109    H    THR  24           H        THR  24  -8.948  -9.885  21.087
 1110    HA   THR  24           HA       THR  24  -6.057  -9.472  20.754
 1111    HB   THR  24           HB       THR  24  -5.764  -9.347  22.998
 1112    HG1  THR  24           HG1      THR  24  -7.242 -10.100  24.521
 1113   HG21  THR  24          HG21      THR  24  -7.351  -7.771  23.896
 1114   HG22  THR  24          HG22      THR  24  -7.183  -7.445  22.162
 1115   HG23  THR  24          HG23      THR  24  -8.622  -8.295  22.770
 1116    H    GLU  25           H        GLU  25  -4.437 -10.958  21.616
 1117    HA   GLU  25           HA       GLU  25  -5.194 -13.766  21.832
 1118    HB2  GLU  25           HB2      GLU  25  -4.904 -13.717  19.472
 1119    HB3  GLU  25           HB3      GLU  25  -3.470 -12.715  19.585
 1120    HG2  GLU  25           HG2      GLU  25  -2.890 -14.931  18.886
 1121    HG3  GLU  25           HG3      GLU  25  -2.142 -14.553  20.425
 1122    H    TYR  26           H        TYR  26  -3.678 -15.065  22.831
 1123    HA   TYR  26           HA       TYR  26  -2.320 -13.813  24.960
 1124    HB2  TYR  26           HB2      TYR  26  -2.547 -16.673  24.116
 1125    HB3  TYR  26           HB3      TYR  26  -1.540 -16.190  25.468
 1126    HD1  TYR  26           HD1      TYR  26  -4.972 -16.734  24.367
 1127    HD2  TYR  26           HD2      TYR  26  -2.502 -15.025  27.464
 1128    HE1  TYR  26           HE1      TYR  26  -6.931 -16.710  25.906
 1129    HE2  TYR  26           HE2      TYR  26  -4.469 -14.989  29.007
 1130    HH   TYR  26           HH       TYR  26  -7.708 -16.175  28.003
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -8.707   1.758   7.817
    2    H2   MET   1           H2       MET   1  -8.332   1.289   6.306
    3    H3   MET   1           H3       MET   1  -8.108   2.852   6.758
    4    HA   MET   1           HA       MET   1 -10.485   3.245   6.950
    5    HB2  MET   1           HB2      MET   1  -9.325   3.553   4.722
    6    HB3  MET   1           HB3      MET   1  -9.853   1.942   4.252
    7    HG2  MET   1           HG2      MET   1 -11.419   3.441   3.314
    8    HG3  MET   1           HG3      MET   1 -12.258   2.744   4.697
    9    HE1  MET   1           HE1      MET   1 -13.356   5.232   3.226
   10    HE2  MET   1           HE2      MET   1 -14.127   4.773   4.769
   11    HE3  MET   1           HE3      MET   1 -13.649   6.456   4.482
   12    HA   PRO   2           HA       PRO   2 -12.314  -0.779   8.000
   13    HB2  PRO   2           HB2      PRO   2 -14.534   0.925   9.109
   14    HB3  PRO   2           HB3      PRO   2 -13.674  -0.452   9.864
   15    HG2  PRO   2           HG2      PRO   2 -13.108   2.083  10.611
   16    HG3  PRO   2           HG3      PRO   2 -11.777   0.911  10.362
   17    HD2  PRO   2           HD2      PRO   2 -12.851   2.994   8.417
   18    HD3  PRO   2           HD3      PRO   2 -11.162   2.704   8.911
   19    H    SER   3           H        SER   3 -13.978   1.698   6.095
   20    HA   SER   3           HA       SER   3 -15.707  -0.300   4.759
   21    HB2  SER   3           HB2      SER   3 -16.820   0.368   6.952
   22    HB3  SER   3           HB3      SER   3 -16.923   2.015   6.314
   23    HG   SER   3           HG       SER   3 -18.843   0.862   5.856
   24    H    GLU   4           H        GLU   4 -17.360   1.067   3.422
   25    HA   GLU   4           HA       GLU   4 -17.852   2.286   1.596
   26    HB2  GLU   4           HB2      GLU   4 -16.389   4.436   3.155
   27    HB3  GLU   4           HB3      GLU   4 -17.462   4.704   1.773
   28    HG2  GLU   4           HG2      GLU   4 -19.300   3.523   3.015
   29    HG3  GLU   4           HG3      GLU   4 -18.257   3.468   4.439
   30    H    LYS   5           H        LYS   5 -14.370   2.350   2.050
   31    HA   LYS   5           HA       LYS   5 -14.003   2.479  -0.916
   32    HB2  LYS   5           HB2      LYS   5 -12.386   4.061   1.131
   33    HB3  LYS   5           HB3      LYS   5 -12.000   3.918  -0.588
   34    HG2  LYS   5           HG2      LYS   5 -14.188   4.982  -1.150
   35    HG3  LYS   5           HG3      LYS   5 -14.493   5.227   0.582
   36    HD2  LYS   5           HD2      LYS   5 -12.381   6.553   0.742
   37    HD3  LYS   5           HD3      LYS   5 -12.162   6.401  -1.004
   38    HE2  LYS   5           HE2      LYS   5 -14.553   7.703   0.392
   39    HE3  LYS   5           HE3      LYS   5 -13.163   8.578  -0.249
   40    HZ1  LYS   5           HZ1      LYS   5 -15.085   6.993  -1.891
   41    HZ2  LYS   5           HZ2      LYS   5 -14.964   8.611  -1.845
   42    HZ3  LYS   5           HZ3      LYS   5 -13.751   7.735  -2.489
   43    H    THR   6           H        THR   6 -12.028   1.542  -1.690
   44    HA   THR   6           HA       THR   6 -11.302  -0.831  -0.182
   45    HB   THR   6           HB       THR   6 -10.382  -1.788  -1.964
   46    HG1  THR   6           HG1      THR   6  -9.481  -0.570  -3.713
   47   HG21  THR   6          HG21      THR   6 -11.658  -1.398  -3.957
   48   HG22  THR   6          HG22      THR   6 -12.738  -1.116  -2.584
   49   HG23  THR   6          HG23      THR   6 -12.049   0.266  -3.475
   50    H    PHE   7           H        PHE   7  -9.057  -1.611   0.149
   51    HA   PHE   7           HA       PHE   7  -7.689   0.351   1.742
   52    HB2  PHE   7           HB2      PHE   7  -7.814  -1.706   2.702
   53    HB3  PHE   7           HB3      PHE   7  -7.298  -2.549   1.254
   54    HD1  PHE   7           HD1      PHE   7  -5.726   0.156   3.345
   55    HD2  PHE   7           HD2      PHE   7  -5.421  -3.815   1.728
   56    HE1  PHE   7           HE1      PHE   7  -3.450  -0.060   4.321
   57    HE2  PHE   7           HE2      PHE   7  -3.184  -4.064   2.767
   58    HZ   PHE   7           HZ       PHE   7  -2.163  -2.168   4.018
   59    H    LYS   8           H        LYS   8  -7.384  -0.211  -1.579
   60    HA   LYS   8           HA       LYS   8  -4.643   0.487  -2.065
   61    HB2  LYS   8           HB2      LYS   8  -7.223   1.001  -3.603
   62    HB3  LYS   8           HB3      LYS   8  -5.657   1.434  -4.252
   63    HG2  LYS   8           HG2      LYS   8  -6.288  -1.405  -3.361
   64    HG3  LYS   8           HG3      LYS   8  -6.696  -0.814  -4.965
   65    HD2  LYS   8           HD2      LYS   8  -3.858  -0.906  -3.844
   66    HD3  LYS   8           HD3      LYS   8  -4.595  -2.091  -4.934
   67    HE2  LYS   8           HE2      LYS   8  -5.050  -0.124  -6.546
   68    HE3  LYS   8           HE3      LYS   8  -3.969   0.838  -5.531
   69    HZ1  LYS   8           HZ1      LYS   8  -2.760  -0.172  -7.383
   70    HZ2  LYS   8           HZ2      LYS   8  -2.206  -0.847  -6.000
   71    HZ3  LYS   8           HZ3      LYS   8  -3.235  -1.674  -6.973
   72    H    GLN   9           H        GLN   9  -7.383   2.591  -1.252
   73    HA   GLN   9           HA       GLN   9  -6.045   5.034  -1.958
   74    HB2  GLN   9           HB2      GLN   9  -7.924   6.141  -1.181
   75    HB3  GLN   9           HB3      GLN   9  -8.529   4.601  -1.728
   76    HG2  GLN   9           HG2      GLN   9  -9.715   4.765   0.182
   77    HG3  GLN   9           HG3      GLN   9  -8.334   3.909   0.842
   78   HE21  GLN   9          HE21      GLN   9  -9.173   6.754   3.125
   79   HE22  GLN   9          HE22      GLN   9  -9.992   5.300   2.578
   80    H    ARG  10           H        ARG  10  -6.051   3.133   1.041
   81    HA   ARG  10           HA       ARG  10  -4.609   5.179   2.596
   82    HB2  ARG  10           HB2      ARG  10  -6.211   3.585   3.645
   83    HB3  ARG  10           HB3      ARG  10  -5.171   2.252   3.159
   84    HG2  ARG  10           HG2      ARG  10  -4.752   2.575   5.456
   85    HG3  ARG  10           HG3      ARG  10  -3.341   3.229   4.633
   86    HD2  ARG  10           HD2      ARG  10  -4.240   5.527   4.930
   87    HD3  ARG  10           HD3      ARG  10  -5.647   4.833   5.772
   88    HE   ARG  10           HE       ARG  10  -3.104   3.969   6.945
   89   HH11  ARG  10          HH11      ARG  10  -3.320   6.028   9.685
   90   HH12  ARG  10          HH12      ARG  10  -2.431   4.741   8.919
   91   HH21  ARG  10          HH21      ARG  10  -5.385   6.656   7.012
   92   HH22  ARG  10          HH22      ARG  10  -4.890   7.145   8.604
   93    H    ARG  11           H        ARG  11  -3.718   2.050   1.045
   94    HA   ARG  11           HA       ARG  11  -0.869   2.984   0.999
   95    HB2  ARG  11           HB2      ARG  11  -1.786   0.204   1.856
   96    HB3  ARG  11           HB3      ARG  11  -0.108   0.687   1.626
   97    HG2  ARG  11           HG2      ARG  11  -2.003   1.819   3.707
   98    HG3  ARG  11           HG3      ARG  11  -0.790   0.600   4.015
   99    HD2  ARG  11           HD2      ARG  11   1.007   2.083   3.812
  100    HD3  ARG  11           HD3      ARG  11   0.102   3.211   2.807
  101    HE   ARG  11           HE       ARG  11  -0.700   2.891   5.667
  102   HH11  ARG  11          HH11      ARG  11   0.508   6.434   4.288
  103   HH12  ARG  11          HH12      ARG  11   0.525   5.103   3.168
  104   HH21  ARG  11          HH21      ARG  11  -0.716   4.597   6.922
  105   HH22  ARG  11          HH22      ARG  11  -0.192   6.180   6.365
  106    H    THR  12           H        THR  12  -0.061   3.061  -0.881
  107    HA   THR  12           HA       THR  12  -0.894   1.363  -3.174
  108    HB   THR  12           HB       THR  12   0.961   2.746  -4.276
  109    HG1  THR  12           HG1      THR  12   1.627   4.597  -3.128
  110   HG21  THR  12          HG21      THR  12  -1.450   3.355  -4.465
  111   HG22  THR  12          HG22      THR  12  -1.303   4.336  -2.989
  112   HG23  THR  12          HG23      THR  12  -0.396   4.780  -4.454
  113    H    PHE  13           H        PHE  13   1.045   0.354  -4.407
  114    HA   PHE  13           HA       PHE  13   1.885  -1.751  -2.947
  115    HB2  PHE  13           HB2      PHE  13   1.767  -2.035  -5.207
  116    HB3  PHE  13           HB3      PHE  13   2.887  -0.723  -5.542
  117    HD1  PHE  13           HD1      PHE  13   2.636  -4.226  -4.347
  118    HD2  PHE  13           HD2      PHE  13   5.296  -1.058  -5.569
  119    HE1  PHE  13           HE1      PHE  13   4.508  -5.853  -4.493
  120    HE2  PHE  13           HE2      PHE  13   7.165  -2.686  -5.707
  121    HZ   PHE  13           HZ       PHE  13   6.776  -5.085  -5.176
  122    H    GLU  14           H        GLU  14   4.228   0.940  -3.454
  123    HA   GLU  14           HA       GLU  14   6.290  -0.471  -2.027
  124    HB2  GLU  14           HB2      GLU  14   7.515   1.596  -2.025
  125    HB3  GLU  14           HB3      GLU  14   6.758   1.319  -3.592
  126    HG2  GLU  14           HG2      GLU  14   4.930   2.940  -2.935
  127    HG3  GLU  14           HG3      GLU  14   5.830   3.275  -1.450
  128    H    GLN  15           H        GLN  15   3.779   1.768  -0.860
  129    HA   GLN  15           HA       GLN  15   4.794   1.917   1.877
  130    HB2  GLN  15           HB2      GLN  15   1.978   2.435   0.820
  131    HB3  GLN  15           HB3      GLN  15   2.647   2.944   2.376
  132    HG2  GLN  15           HG2      GLN  15   4.275   4.412   1.178
  133    HG3  GLN  15           HG3      GLN  15   3.554   3.941  -0.364
  134   HE21  GLN  15          HE21      GLN  15   1.875   7.094   0.363
  135   HE22  GLN  15          HE22      GLN  15   3.431   6.518  -0.212
  136    H    ARG  16           H        ARG  16   2.347   0.036   0.168
  137    HA   ARG  16           HA       ARG  16   1.239  -1.565   2.249
  138    HB2  ARG  16           HB2      ARG  16   0.237  -1.329   0.036
  139    HB3  ARG  16           HB3      ARG  16   1.696  -1.887  -0.737
  140    HG2  ARG  16           HG2      ARG  16   0.271  -3.626  -1.009
  141    HG3  ARG  16           HG3      ARG  16   1.334  -4.174   0.274
  142    HD2  ARG  16           HD2      ARG  16  -0.892  -4.792   0.922
  143    HD3  ARG  16           HD3      ARG  16  -0.443  -3.440   1.944
  144    HE   ARG  16           HE       ARG  16  -2.110  -2.147   0.962
  145   HH11  ARG  16          HH11      ARG  16  -1.616  -4.891  -1.200
  146   HH12  ARG  16          HH12      ARG  16  -3.091  -4.574  -2.065
  147   HH21  ARG  16          HH21      ARG  16  -3.818  -1.666  -0.339
  148   HH22  ARG  16          HH22      ARG  16  -4.290  -2.755  -1.615
  149    H    VAL  17           H        VAL  17   3.992  -2.298   0.054
  150    HA   VAL  17           HA       VAL  17   4.677  -4.839   1.166
  151    HB   VAL  17           HB       VAL  17   6.244  -2.728  -0.358
  152   HG11  VAL  17          HG11      VAL  17   7.974  -3.830   0.966
  153   HG12  VAL  17          HG12      VAL  17   7.289  -5.434   0.597
  154   HG13  VAL  17          HG13      VAL  17   8.041  -4.452  -0.680
  155   HG21  VAL  17          HG21      VAL  17   4.485  -4.140  -1.517
  156   HG22  VAL  17          HG22      VAL  17   6.117  -4.362  -2.151
  157   HG23  VAL  17          HG23      VAL  17   5.409  -5.579  -1.069
  158    H    GLU  18           H        GLU  18   5.970  -1.532   2.022
  159    HA   GLU  18           HA       GLU  18   7.643  -2.479   4.126
  160    HB2  GLU  18           HB2      GLU  18   6.313   0.210   3.653
  161    HB3  GLU  18           HB3      GLU  18   7.422  -0.109   4.997
  162    HG2  GLU  18           HG2      GLU  18   9.196  -0.775   3.436
  163    HG3  GLU  18           HG3      GLU  18   8.135  -0.488   2.060
  164    H    ASP  19           H        ASP  19   4.235  -1.330   4.347
  165    HA   ASP  19           HA       ASP  19   3.917  -1.721   7.159
  166    HB2  ASP  19           HB2      ASP  19   2.422  -0.349   5.898
  167    HB3  ASP  19           HB3      ASP  19   1.941  -1.711   4.884
  168    H    VAL  20           H        VAL  20   2.962  -4.048   4.560
  169    HA   VAL  20           HA       VAL  20   2.297  -6.054   6.506
  170    HB   VAL  20           HB       VAL  20   2.068  -7.648   4.801
  171   HG11  VAL  20          HG11      VAL  20   0.436  -6.589   3.367
  172   HG12  VAL  20          HG12      VAL  20   0.323  -5.899   4.995
  173   HG13  VAL  20          HG13      VAL  20   1.110  -4.983   3.696
  174   HG21  VAL  20          HG21      VAL  20   3.487  -5.748   2.911
  175   HG22  VAL  20          HG22      VAL  20   4.052  -7.337   3.437
  176   HG23  VAL  20          HG23      VAL  20   2.614  -7.204   2.415
  177    H    ARG  21           H        ARG  21   5.412  -5.413   4.857
  178    HA   ARG  21           HA       ARG  21   6.724  -7.770   5.887
  179    HB2  ARG  21           HB2      ARG  21   7.592  -6.575   3.984
  180    HB3  ARG  21           HB3      ARG  21   7.831  -5.095   4.914
  181    HG2  ARG  21           HG2      ARG  21   9.233  -7.575   5.887
  182    HG3  ARG  21           HG3      ARG  21   9.808  -6.860   4.381
  183    HD2  ARG  21           HD2      ARG  21  10.330  -4.761   5.418
  184    HD3  ARG  21           HD3      ARG  21   9.475  -5.187   6.891
  185    HE   ARG  21           HE       ARG  21  11.176  -6.648   7.578
  186   HH11  ARG  21          HH11      ARG  21  12.232  -5.131   4.560
  187   HH12  ARG  21          HH12      ARG  21  13.895  -5.486   4.929
  188   HH21  ARG  21          HH21      ARG  21  13.104  -7.048   7.924
  189   HH22  ARG  21          HH22      ARG  21  14.423  -6.610   6.824
  190    H    LEU  22           H        LEU  22   6.691  -4.392   7.154
  191    HA   LEU  22           HA       LEU  22   8.294  -5.012   9.462
  192    HB2  LEU  22           HB2      LEU  22   6.326  -2.778   8.828
  193    HB3  LEU  22           HB3      LEU  22   7.149  -2.863  10.382
  194    HG   LEU  22           HG       LEU  22   8.682  -2.867   7.770
  195   HD11  LEU  22          HD11      LEU  22   7.320  -0.806   7.878
  196   HD12  LEU  22          HD12      LEU  22   7.935  -0.474   9.513
  197   HD13  LEU  22          HD13      LEU  22   9.035  -0.439   8.116
  198   HD21  LEU  22          HD21      LEU  22  10.522  -2.027   9.208
  199   HD22  LEU  22          HD22      LEU  22   9.468  -2.162  10.631
  200   HD23  LEU  22          HD23      LEU  22   9.966  -3.615   9.735
  201    H    ILE  23           H        ILE  23   4.715  -4.707   9.136
  202    HA   ILE  23           HA       ILE  23   4.291  -5.209  11.893
  203    HB   ILE  23           HB       ILE  23   2.726  -4.118  10.146
  204   HG12  ILE  23          HG12      ILE  23   0.665  -4.855  11.395
  205   HG13  ILE  23          HG13      ILE  23   1.672  -6.002  12.284
  206   HG21  ILE  23          HG21      ILE  23   2.626  -6.185   8.663
  207   HG22  ILE  23          HG22      ILE  23   1.629  -6.963   9.902
  208   HG23  ILE  23          HG23      ILE  23   1.065  -5.484   9.089
  209   HD11  ILE  23          HD11      ILE  23   1.309  -4.016  13.617
  210   HD12  ILE  23          HD12      ILE  23   3.007  -4.006  13.138
  211   HD13  ILE  23          HD13      ILE  23   1.860  -2.954  12.296
  212    H    ARG  24           H        ARG  24   4.623  -7.538   9.209
  213    HA   ARG  24           HA       ARG  24   3.892  -9.826  10.884
  214    HB2  ARG  24           HB2      ARG  24   3.869  -9.603   8.303
  215    HB3  ARG  24           HB3      ARG  24   5.594  -9.943   8.342
  216    HG2  ARG  24           HG2      ARG  24   3.436 -11.698   9.600
  217    HG3  ARG  24           HG3      ARG  24   3.953 -11.889   7.934
  218    HD2  ARG  24           HD2      ARG  24   6.153 -12.593   8.577
  219    HD3  ARG  24           HD3      ARG  24   5.881 -12.175  10.262
  220    HE   ARG  24           HE       ARG  24   4.124 -13.905  10.400
  221   HH11  ARG  24          HH11      ARG  24   6.270 -14.349   7.642
  222   HH12  ARG  24          HH12      ARG  24   6.138 -16.076   7.730
  223   HH21  ARG  24          HH21      ARG  24   4.287 -16.048  10.632
  224   HH22  ARG  24          HH22      ARG  24   4.936 -17.034   9.343
  225    H    GLU  25           H        GLU  25   7.058  -8.425   9.852
  226    HA   GLU  25           HA       GLU  25   8.671 -10.355  11.146
  227    HB2  GLU  25           HB2      GLU  25   9.462  -8.812   9.444
  228    HB3  GLU  25           HB3      GLU  25   9.250  -7.429  10.537
  229    HG2  GLU  25           HG2      GLU  25  10.979  -8.281  12.034
  230    HG3  GLU  25           HG3      GLU  25  11.101  -9.783  11.106
  231    H    GLN  26           H        GLN  26   7.354  -7.324  12.536
  232    HA   GLN  26           HA       GLN  26   8.643  -7.723  15.096
  233    HB2  GLN  26           HB2      GLN  26   7.276  -5.842  15.880
  234    HB3  GLN  26           HB3      GLN  26   8.146  -5.540  14.388
  235    HG2  GLN  26           HG2      GLN  26   6.232  -4.696  13.594
  236    HG3  GLN  26           HG3      GLN  26   5.762  -6.363  13.344
  237   HE21  GLN  26          HE21      GLN  26   2.886  -5.831  15.267
  238   HE22  GLN  26          HE22      GLN  26   3.633  -6.640  13.892
  239    H    HIS  27           H        HIS  27   5.942  -9.393  13.827
  240    HA   HIS  27           HA       HIS  27   5.800 -10.879  16.324
  241    HB2  HIS  27           HB2      HIS  27   3.352 -10.852  16.621
  242    HB3  HIS  27           HB3      HIS  27   4.168  -9.355  17.009
  243    HD1  HIS  27           HD1      HIS  27   2.907 -10.254  13.490
  244    HD2  HIS  27           HD2      HIS  27   2.031  -7.825  16.812
  245    HE1  HIS  27           HE1      HIS  27   0.922  -8.741  12.780
  246    HE2  HIS  27           HE2      HIS  27   0.372  -7.280  14.875
  247    HA   PRO  28           HA       PRO  28   5.893 -13.150  12.360
  248    HB2  PRO  28           HB2      PRO  28   7.322 -15.137  14.147
  249    HB3  PRO  28           HB3      PRO  28   7.677 -14.696  12.445
  250    HG2  PRO  28           HG2      PRO  28   9.149 -13.599  14.398
  251    HG3  PRO  28           HG3      PRO  28   8.494 -12.531  13.112
  252    HD2  PRO  28           HD2      PRO  28   7.370 -13.027  15.887
  253    HD3  PRO  28           HD3      PRO  28   7.668 -11.472  15.061
  254    H    THR  29           H        THR  29   4.600 -14.380  15.409
  255    HA   THR  29           HA       THR  29   3.319 -16.701  14.348
  256    HB   THR  29           HB       THR  29   2.210 -16.978  16.342
  257    HG1  THR  29           HG1      THR  29   1.838 -15.282  17.793
  258   HG21  THR  29          HG21      THR  29   4.628 -15.340  17.239
  259   HG22  THR  29          HG22      THR  29   3.813 -16.656  18.104
  260   HG23  THR  29          HG23      THR  29   4.722 -17.011  16.627
  261    H    LYS  30           H        LYS  30   2.499 -13.492  13.639
  262    HA   LYS  30           HA       LYS  30  -0.248 -14.350  12.812
  263    HB2  LYS  30           HB2      LYS  30   0.924 -11.608  13.295
  264    HB3  LYS  30           HB3      LYS  30  -0.613 -11.856  12.445
  265    HG2  LYS  30           HG2      LYS  30  -1.590 -12.969  14.341
  266    HG3  LYS  30           HG3      LYS  30  -0.073 -12.897  15.259
  267    HD2  LYS  30           HD2      LYS  30  -0.198 -10.510  15.446
  268    HD3  LYS  30           HD3      LYS  30  -1.512 -10.404  14.246
  269    HE2  LYS  30           HE2      LYS  30  -3.020 -11.646  15.751
  270    HE3  LYS  30           HE3      LYS  30  -1.714 -11.792  16.955
  271    HZ1  LYS  30           HZ1      LYS  30  -1.670  -9.357  17.068
  272    HZ2  LYS  30           HZ2      LYS  30  -2.980  -9.270  16.031
  273    HZ3  LYS  30           HZ3      LYS  30  -3.099  -9.947  17.534
  274    H    ILE  31           H        ILE  31  -1.107 -13.778  10.893
  275    HA   ILE  31           HA       ILE  31   0.713 -13.601   8.515
  276    HB   ILE  31           HB       ILE  31  -2.045 -14.856   8.827
  277   HG12  ILE  31          HG12      ILE  31  -0.507 -16.218  10.080
  278   HG13  ILE  31          HG13      ILE  31  -1.019 -17.045   8.625
  279   HG21  ILE  31          HG21      ILE  31  -1.637 -15.835   6.615
  280   HG22  ILE  31          HG22      ILE  31  -1.701 -14.079   6.546
  281   HG23  ILE  31          HG23      ILE  31  -0.122 -14.901   6.459
  282   HD11  ILE  31          HD11      ILE  31   1.355 -17.435   9.044
  283   HD12  ILE  31          HD12      ILE  31   1.166 -16.524   7.540
  284   HD13  ILE  31          HD13      ILE  31   1.693 -15.698   9.023
  285    HA   PRO  32           HA       PRO  32  -1.832  -9.821   7.977
  286    HB2  PRO  32           HB2      PRO  32  -0.175  -9.409   5.527
  287    HB3  PRO  32           HB3      PRO  32  -0.506  -8.292   6.870
  288    HG2  PRO  32           HG2      PRO  32   1.925  -9.514   6.601
  289    HG3  PRO  32           HG3      PRO  32   1.188  -9.229   8.213
  290    HD2  PRO  32           HD2      PRO  32   1.160 -11.784   6.576
  291    HD3  PRO  32           HD3      PRO  32   1.528 -11.552   8.314
  292    H    VAL  33           H        VAL  33  -3.717  -9.674   6.905
  293    HA   VAL  33           HA       VAL  33  -4.176 -11.205   4.390
  294    HB   VAL  33           HB       VAL  33  -6.134 -11.193   6.701
  295   HG11  VAL  33          HG11      VAL  33  -7.235 -13.000   5.443
  296   HG12  VAL  33          HG12      VAL  33  -7.182 -11.520   4.489
  297   HG13  VAL  33          HG13      VAL  33  -6.042 -12.837   4.138
  298   HG21  VAL  33          HG21      VAL  33  -5.585 -13.614   6.982
  299   HG22  VAL  33          HG22      VAL  33  -4.182 -13.387   5.918
  300   HG23  VAL  33          HG23      VAL  33  -4.280 -12.525   7.466
  301    H    ILE  34           H        ILE  34  -5.349 -10.162   2.887
  302    HA   ILE  34           HA       ILE  34  -6.680  -7.561   3.609
  303    HB   ILE  34           HB       ILE  34  -5.579  -8.576   0.970
  304   HG12  ILE  34          HG12      ILE  34  -4.911  -6.137   2.700
  305   HG13  ILE  34          HG13      ILE  34  -3.964  -7.621   2.619
  306   HG21  ILE  34          HG21      ILE  34  -6.406  -6.449  -0.021
  307   HG22  ILE  34          HG22      ILE  34  -7.735  -7.447   0.520
  308   HG23  ILE  34          HG23      ILE  34  -7.221  -6.050   1.505
  309   HD11  ILE  34          HD11      ILE  34  -3.623  -7.231   0.161
  310   HD12  ILE  34          HD12      ILE  34  -4.353  -5.622   0.378
  311   HD13  ILE  34          HD13      ILE  34  -2.865  -6.043   1.237
  312    H    ILE  35           H        ILE  35  -8.864  -7.338   3.179
  313    HA   ILE  35           HA       ILE  35 -10.283  -9.629   1.943
  314    HB   ILE  35           HB       ILE  35 -10.632 -10.016   4.272
  315   HG12  ILE  35          HG12      ILE  35 -13.149  -8.717   3.120
  316   HG13  ILE  35          HG13      ILE  35 -12.518 -10.297   2.621
  317   HG21  ILE  35          HG21      ILE  35 -11.713  -8.374   5.771
  318   HG22  ILE  35          HG22      ILE  35 -10.171  -7.766   5.197
  319   HG23  ILE  35          HG23      ILE  35 -11.701  -7.165   4.496
  320   HD11  ILE  35          HD11      ILE  35 -12.753 -11.122   4.982
  321   HD12  ILE  35          HD12      ILE  35 -13.570  -9.590   5.386
  322   HD13  ILE  35          HD13      ILE  35 -14.286 -10.681   4.195
  323    H    GLU  36           H        GLU  36 -11.690  -8.948   0.345
  324    HA   GLU  36           HA       GLU  36 -12.947  -6.295   0.695
  325    HB2  GLU  36           HB2      GLU  36 -12.424  -5.503  -1.533
  326    HB3  GLU  36           HB3      GLU  36 -10.967  -5.707  -0.565
  327    HG2  GLU  36           HG2      GLU  36 -10.467  -7.831  -1.720
  328    HG3  GLU  36           HG3      GLU  36 -11.948  -7.671  -2.682
  329    H    ARG  37           H        ARG  37 -14.831  -5.926  -0.409
  330    HA   ARG  37           HA       ARG  37 -16.522  -8.104  -1.142
  331    HB2  ARG  37           HB2      ARG  37 -17.323  -5.879  -0.474
  332    HB3  ARG  37           HB3      ARG  37 -16.593  -5.142  -1.898
  333    HG2  ARG  37           HG2      ARG  37 -18.160  -6.261  -3.375
  334    HG3  ARG  37           HG3      ARG  37 -18.742  -7.297  -2.064
  335    HD2  ARG  37           HD2      ARG  37 -20.372  -5.599  -2.480
  336    HD3  ARG  37           HD3      ARG  37 -19.657  -5.326  -0.885
  337    HE   ARG  37           HE       ARG  37 -18.178  -3.710  -2.636
  338   HH11  ARG  37          HH11      ARG  37 -21.560  -3.862  -1.692
  339   HH12  ARG  37          HH12      ARG  37 -21.827  -2.178  -2.062
  340   HH21  ARG  37          HH21      ARG  37 -18.596  -1.542  -3.063
  341   HH22  ARG  37          HH22      ARG  37 -20.184  -0.906  -2.786
  342    H    TYR  38           H        TYR  38 -16.798  -9.260  -2.994
  343    HA   TYR  38           HA       TYR  38 -14.775  -9.359  -4.844
  344    HB2  TYR  38           HB2      TYR  38 -15.866 -11.315  -4.547
  345    HB3  TYR  38           HB3      TYR  38 -17.455 -10.600  -4.767
  346    HD1  TYR  38           HD1      TYR  38 -14.312 -11.259  -6.750
  347    HD2  TYR  38           HD2      TYR  38 -18.629 -11.062  -6.728
  348    HE1  TYR  38           HE1      TYR  38 -14.357 -11.942  -9.140
  349    HE2  TYR  38           HE2      TYR  38 -18.659 -11.725  -9.125
  350    HH   TYR  38           HH       TYR  38 -15.660 -12.402 -10.972
  351    H    LYS  39           H        LYS  39 -14.147  -8.698  -6.767
  352    HA   LYS  39           HA       LYS  39 -14.900  -6.100  -7.501
  353    HB2  LYS  39           HB2      LYS  39 -13.330  -8.193  -9.071
  354    HB3  LYS  39           HB3      LYS  39 -13.443  -6.489  -9.524
  355    HG2  LYS  39           HG2      LYS  39 -12.428  -5.830  -7.360
  356    HG3  LYS  39           HG3      LYS  39 -12.276  -7.535  -6.907
  357    HD2  LYS  39           HD2      LYS  39 -10.828  -7.934  -8.897
  358    HD3  LYS  39           HD3      LYS  39 -10.970  -6.213  -9.332
  359    HE2  LYS  39           HE2      LYS  39  -9.947  -5.594  -7.142
  360    HE3  LYS  39           HE3      LYS  39  -9.791  -7.304  -6.734
  361    HZ1  LYS  39           HZ1      LYS  39  -8.306  -7.564  -8.663
  362    HZ2  LYS  39           HZ2      LYS  39  -8.443  -5.974  -9.034
  363    HZ3  LYS  39           HZ3      LYS  39  -7.717  -6.431  -7.643
  364    H    GLY  40           H        GLY  40 -15.838  -9.113  -9.148
  365    HA2  GLY  40           HA2      GLY  40 -17.040  -7.802 -11.418
  366    HA3  GLY  40           HA3      GLY  40 -17.149  -9.506 -11.000
  367    H    GLU  41           H        GLU  41 -18.382  -8.838  -8.315
  368    HA   GLU  41           HA       GLU  41 -21.038  -7.785  -9.075
  369    HB2  GLU  41           HB2      GLU  41 -21.166 -10.147  -9.638
  370    HB3  GLU  41           HB3      GLU  41 -20.550 -10.595  -8.061
  371    HG2  GLU  41           HG2      GLU  41 -22.861 -11.060  -8.096
  372    HG3  GLU  41           HG3      GLU  41 -22.615  -9.727  -6.987
  373    H    LYS  42           H        LYS  42 -20.525  -6.047  -7.799
  374    HA   LYS  42           HA       LYS  42 -19.805  -6.310  -4.993
  375    HB2  LYS  42           HB2      LYS  42 -20.538  -3.901  -6.704
  376    HB3  LYS  42           HB3      LYS  42 -19.956  -3.804  -5.044
  377    HG2  LYS  42           HG2      LYS  42 -17.862  -5.041  -5.751
  378    HG3  LYS  42           HG3      LYS  42 -18.410  -4.880  -7.429
  379    HD2  LYS  42           HD2      LYS  42 -18.425  -2.380  -7.136
  380    HD3  LYS  42           HD3      LYS  42 -17.855  -2.591  -5.486
  381    HE2  LYS  42           HE2      LYS  42 -15.919  -2.024  -6.723
  382    HE3  LYS  42           HE3      LYS  42 -15.773  -3.740  -6.398
  383    HZ1  LYS  42           HZ1      LYS  42 -15.272  -3.158  -8.749
  384    HZ2  LYS  42           HZ2      LYS  42 -16.559  -4.170  -8.721
  385    HZ3  LYS  42           HZ3      LYS  42 -16.764  -2.558  -8.972
  386    H    GLN  43           H        GLN  43 -22.114  -7.714  -5.292
  387    HA   GLN  43           HA       GLN  43 -24.498  -6.126  -4.821
  388    HB2  GLN  43           HB2      GLN  43 -24.428  -8.153  -6.157
  389    HB3  GLN  43           HB3      GLN  43 -24.004  -9.133  -4.754
  390    HG2  GLN  43           HG2      GLN  43 -26.523  -7.423  -4.769
  391    HG3  GLN  43           HG3      GLN  43 -26.496  -8.947  -5.642
  392   HE21  GLN  43          HE21      GLN  43 -27.892  -9.694  -2.280
  393   HE22  GLN  43          HE22      GLN  43 -28.358  -8.651  -3.617
  394    H    LEU  44           H        LEU  44 -22.464  -8.058  -2.605
  395    HA   LEU  44           HA       LEU  44 -24.238  -7.738  -0.349
  396    HB2  LEU  44           HB2      LEU  44 -21.306  -8.496  -0.649
  397    HB3  LEU  44           HB3      LEU  44 -22.076  -8.406   0.930
  398    HG   LEU  44           HG       LEU  44 -23.008 -10.241  -1.320
  399   HD11  LEU  44          HD11      LEU  44 -21.423 -10.811   1.227
  400   HD12  LEU  44          HD12      LEU  44 -22.026 -12.030   0.082
  401   HD13  LEU  44          HD13      LEU  44 -20.789 -10.867  -0.436
  402   HD21  LEU  44          HD21      LEU  44 -23.821 -10.031   1.621
  403   HD22  LEU  44          HD22      LEU  44 -24.864  -9.758   0.208
  404   HD23  LEU  44          HD23      LEU  44 -24.261 -11.377   0.548
  405    HA   PRO  45           HA       PRO  45 -23.368  -3.731   1.333
  406    HB2  PRO  45           HB2      PRO  45 -22.489  -5.158   3.854
  407    HB3  PRO  45           HB3      PRO  45 -23.546  -3.716   3.691
  408    HG2  PRO  45           HG2      PRO  45 -24.666  -6.140   4.075
  409    HG3  PRO  45           HG3      PRO  45 -25.344  -5.051   2.819
  410    HD2  PRO  45           HD2      PRO  45 -23.482  -7.404   2.455
  411    HD3  PRO  45           HD3      PRO  45 -24.919  -6.936   1.499
  412    H    VAL  46           H        VAL  46 -21.741  -2.217   1.859
  413    HA   VAL  46           HA       VAL  46 -19.122  -2.980   0.897
  414    HB   VAL  46           HB       VAL  46 -20.415  -0.905   0.285
  415   HG11  VAL  46          HG11      VAL  46 -20.969  -0.113   2.578
  416   HG12  VAL  46          HG12      VAL  46 -19.250   0.209   2.877
  417   HG13  VAL  46          HG13      VAL  46 -20.126   1.111   1.625
  418   HG21  VAL  46          HG21      VAL  46 -17.546  -0.384   1.138
  419   HG22  VAL  46          HG22      VAL  46 -18.027  -1.261  -0.327
  420   HG23  VAL  46          HG23      VAL  46 -18.471   0.443  -0.128
  421    H    LEU  47           H        LEU  47 -20.308  -2.642   4.109
  422    HA   LEU  47           HA       LEU  47 -17.843  -1.936   5.423
  423    HB2  LEU  47           HB2      LEU  47 -19.956  -1.595   6.524
  424    HB3  LEU  47           HB3      LEU  47 -20.411  -3.283   6.316
  425    HG   LEU  47           HG       LEU  47 -18.645  -3.981   7.919
  426   HD11  LEU  47          HD11      LEU  47 -17.043  -2.111   7.647
  427   HD12  LEU  47          HD12      LEU  47 -18.241  -0.987   8.327
  428   HD13  LEU  47          HD13      LEU  47 -17.548  -2.279   9.332
  429   HD21  LEU  47          HD21      LEU  47 -20.949  -3.531   8.689
  430   HD22  LEU  47          HD22      LEU  47 -19.749  -3.127   9.932
  431   HD23  LEU  47          HD23      LEU  47 -20.514  -1.833   8.987
  432    H    ASP  48           H        ASP  48 -16.016  -3.131   5.232
  433    HA   ASP  48           HA       ASP  48 -16.210  -6.069   5.646
  434    HB2  ASP  48           HB2      ASP  48 -14.611  -6.480   3.869
  435    HB3  ASP  48           HB3      ASP  48 -16.115  -5.745   3.331
  436    H    LYS  49           H        LYS  49 -14.673  -3.338   6.817
  437    HA   LYS  49           HA       LYS  49 -12.887  -2.887   8.075
  438    HB2  LYS  49           HB2      LYS  49 -12.910  -5.837   8.777
  439    HB3  LYS  49           HB3      LYS  49 -11.888  -4.621   9.544
  440    HG2  LYS  49           HG2      LYS  49 -13.960  -3.299  10.115
  441    HG3  LYS  49           HG3      LYS  49 -14.936  -4.647   9.516
  442    HD2  LYS  49           HD2      LYS  49 -13.768  -6.140  11.208
  443    HD3  LYS  49           HD3      LYS  49 -12.978  -4.704  11.865
  444    HE2  LYS  49           HE2      LYS  49 -15.983  -5.271  11.780
  445    HE3  LYS  49           HE3      LYS  49 -14.933  -5.348  13.196
  446    HZ1  LYS  49           HZ1      LYS  49 -15.649  -2.853  11.720
  447    HZ2  LYS  49           HZ2      LYS  49 -16.107  -3.259  13.227
  448    HZ3  LYS  49           HZ3      LYS  49 -14.543  -2.898  12.925
  449    H    THR  50           H        THR  50 -12.525  -4.726   5.408
  450    HA   THR  50           HA       THR  50 -11.094  -5.052   3.875
  451    HB   THR  50           HB       THR  50  -9.608  -2.541   4.228
  452    HG1  THR  50           HG1      THR  50 -12.423  -2.753   3.937
  453   HG21  THR  50          HG21      THR  50 -11.263  -3.752   1.971
  454   HG22  THR  50          HG22      THR  50 -10.385  -2.216   1.895
  455   HG23  THR  50          HG23      THR  50  -9.490  -3.734   2.083
  456    H    LYS  51           H        LYS  51  -9.419  -5.046   6.776
  457    HA   LYS  51           HA       LYS  51  -7.044  -6.439   5.613
  458    HB2  LYS  51           HB2      LYS  51  -6.770  -3.947   5.504
  459    HB3  LYS  51           HB3      LYS  51  -7.114  -3.841   7.228
  460    HG2  LYS  51           HG2      LYS  51  -4.978  -5.150   7.649
  461    HG3  LYS  51           HG3      LYS  51  -4.661  -5.046   5.895
  462    HD2  LYS  51           HD2      LYS  51  -4.980  -2.510   6.106
  463    HD3  LYS  51           HD3      LYS  51  -5.037  -2.735   7.872
  464    HE2  LYS  51           HE2      LYS  51  -2.747  -3.847   7.678
  465    HE3  LYS  51           HE3      LYS  51  -2.727  -3.371   5.981
  466    HZ1  LYS  51           HZ1      LYS  51  -2.821  -1.512   8.335
  467    HZ2  LYS  51           HZ2      LYS  51  -1.597  -1.699   7.225
  468    HZ3  LYS  51           HZ3      LYS  51  -3.015  -1.009   6.784
  469    H    PHE  52           H        PHE  52  -6.004  -7.761   7.193
  470    HA   PHE  52           HA       PHE  52  -6.739  -7.612  10.034
  471    HB2  PHE  52           HB2      PHE  52  -7.391 -10.042   8.339
  472    HB3  PHE  52           HB3      PHE  52  -7.306 -10.082  10.084
  473    HD1  PHE  52           HD1      PHE  52  -9.582  -9.931   7.475
  474    HD2  PHE  52           HD2      PHE  52  -8.750  -8.071  11.266
  475    HE1  PHE  52           HE1      PHE  52 -11.975  -9.330   7.724
  476    HE2  PHE  52           HE2      PHE  52 -11.145  -7.442  11.489
  477    HZ   PHE  52           HZ       PHE  52 -12.762  -8.100   9.720
  478    H    LEU  53           H        LEU  53  -5.323  -8.774  11.515
  479    HA   LEU  53           HA       LEU  53  -2.904  -9.995  10.213
  480    HB2  LEU  53           HB2      LEU  53  -2.941  -8.573  12.873
  481    HB3  LEU  53           HB3      LEU  53  -1.540  -9.189  12.016
  482    HG   LEU  53           HG       LEU  53  -3.255  -6.822  11.120
  483   HD11  LEU  53          HD11      LEU  53  -2.050  -6.429  13.265
  484   HD12  LEU  53          HD12      LEU  53  -0.512  -6.825  12.456
  485   HD13  LEU  53          HD13      LEU  53  -1.465  -5.419  11.942
  486   HD21  LEU  53          HD21      LEU  53  -1.260  -6.292   9.688
  487   HD22  LEU  53          HD22      LEU  53  -0.548  -7.860  10.139
  488   HD23  LEU  53          HD23      LEU  53  -2.066  -7.793   9.211
  489    H    VAL  54           H        VAL  54  -3.712 -12.081  10.213
  490    HA   VAL  54           HA       VAL  54  -5.269 -13.037  12.512
  491    HB   VAL  54           HB       VAL  54  -4.639 -14.548   9.982
  492   HG11  VAL  54          HG11      VAL  54  -6.941 -14.783  11.988
  493   HG12  VAL  54          HG12      VAL  54  -6.690 -15.782  10.542
  494   HG13  VAL  54          HG13      VAL  54  -5.554 -15.886  11.889
  495   HG21  VAL  54          HG21      VAL  54  -5.765 -12.414   9.373
  496   HG22  VAL  54          HG22      VAL  54  -6.838 -13.792   9.162
  497   HG23  VAL  54          HG23      VAL  54  -7.026 -12.738  10.583
  498    HA   PRO  55           HA       PRO  55  -1.764 -15.237  14.379
  499    HB2  PRO  55           HB2      PRO  55  -3.957 -16.691  15.836
  500    HB3  PRO  55           HB3      PRO  55  -2.466 -15.950  16.483
  501    HG2  PRO  55           HG2      PRO  55  -4.859 -14.712  16.777
  502    HG3  PRO  55           HG3      PRO  55  -3.387 -13.778  16.372
  503    HD2  PRO  55           HD2      PRO  55  -5.592 -14.717  14.520
  504    HD3  PRO  55           HD3      PRO  55  -4.789 -13.119  14.609
  505    H    ASP  56           H        ASP  56  -0.716 -17.119  13.839
  506    HA   ASP  56           HA       ASP  56  -1.538 -18.559  11.626
  507    HB2  ASP  56           HB2      ASP  56   0.363 -20.099  12.123
  508    HB3  ASP  56           HB3      ASP  56   0.736 -18.383  12.084
  509    H    HIS  57           H        HIS  57  -2.194 -19.456  14.928
  510    HA   HIS  57           HA       HIS  57  -3.063 -22.175  14.377
  511    HB2  HIS  57           HB2      HIS  57  -3.326 -20.322  16.772
  512    HB3  HIS  57           HB3      HIS  57  -4.087 -21.902  16.735
  513    HD1  HIS  57           HD1      HIS  57  -0.402 -20.696  16.061
  514    HD2  HIS  57           HD2      HIS  57  -2.744 -23.652  17.994
  515    HE1  HIS  57           HE1      HIS  57   1.240 -22.247  17.290
  516    HE2  HIS  57           HE2      HIS  57  -0.185 -24.057  18.447
  517    H    VAL  58           H        VAL  58  -4.669 -19.220  13.688
  518    HA   VAL  58           HA       VAL  58  -7.406 -20.011  14.250
  519    HB   VAL  58           HB       VAL  58  -6.210 -17.962  12.371
  520   HG11  VAL  58          HG11      VAL  58  -8.502 -16.962  12.268
  521   HG12  VAL  58          HG12      VAL  58  -8.368 -18.499  11.424
  522   HG13  VAL  58          HG13      VAL  58  -9.139 -18.434  13.023
  523   HG21  VAL  58          HG21      VAL  58  -7.680 -17.723  15.044
  524   HG22  VAL  58          HG22      VAL  58  -5.938 -17.481  14.793
  525   HG23  VAL  58          HG23      VAL  58  -7.102 -16.364  14.065
  526    H    ASN  59           H        ASN  59  -8.640 -21.442  13.168
  527    HA   ASN  59           HA       ASN  59  -7.796 -22.657  10.626
  528    HB2  ASN  59           HB2      ASN  59 -10.247 -22.990  12.407
  529    HB3  ASN  59           HB3      ASN  59 -10.021 -23.868  10.896
  530   HD21  ASN  59          HD21      ASN  59  -8.829 -26.010  13.709
  531   HD22  ASN  59          HD22      ASN  59 -10.338 -25.187  13.364
  532    H    MET  60           H        MET  60  -8.970 -22.541   8.597
  533    HA   MET  60           HA       MET  60  -9.967 -19.966   7.949
  534    HB2  MET  60           HB2      MET  60 -10.136 -22.669   6.602
  535    HB3  MET  60           HB3      MET  60 -11.064 -21.330   5.942
  536    HG2  MET  60           HG2      MET  60  -8.064 -21.501   6.263
  537    HG3  MET  60           HG3      MET  60  -9.000 -21.431   4.773
  538    HE1  MET  60           HE1      MET  60 -10.825 -19.312   4.541
  539    HE2  MET  60           HE2      MET  60 -11.054 -18.735   6.200
  540    HE3  MET  60           HE3      MET  60 -10.364 -17.650   4.977
  541    H    SER  61           H        SER  61 -11.877 -22.806   8.938
  542    HA   SER  61           HA       SER  61 -14.473 -21.674   8.668
  543    HB2  SER  61           HB2      SER  61 -15.035 -23.336  10.470
  544    HB3  SER  61           HB3      SER  61 -14.154 -24.024   9.093
  545    HG   SER  61           HG       SER  61 -13.345 -24.657  11.225
  546    H    GLU  62           H        GLU  62 -12.114 -21.449  11.344
  547    HA   GLU  62           HA       GLU  62 -13.742 -19.818  13.069
  548    HB2  GLU  62           HB2      GLU  62 -11.899 -21.162  13.881
  549    HB3  GLU  62           HB3      GLU  62 -10.741 -20.233  12.928
  550    HG2  GLU  62           HG2      GLU  62 -11.251 -18.203  14.234
  551    HG3  GLU  62           HG3      GLU  62 -12.421 -19.117  15.194
  552    H    LEU  63           H        LEU  63 -11.177 -18.885  10.681
  553    HA   LEU  63           HA       LEU  63 -11.435 -16.075  11.074
  554    HB2  LEU  63           HB2      LEU  63  -9.565 -17.079   9.814
  555    HB3  LEU  63           HB3      LEU  63 -10.677 -17.614   8.555
  556    HG   LEU  63           HG       LEU  63 -11.198 -15.222   8.009
  557   HD11  LEU  63          HD11      LEU  63 -10.674 -14.139  10.167
  558   HD12  LEU  63          HD12      LEU  63  -8.978 -14.642  10.032
  559   HD13  LEU  63          HD13      LEU  63  -9.659 -13.460   8.888
  560   HD21  LEU  63          HD21      LEU  63  -9.413 -16.437   6.785
  561   HD22  LEU  63          HD22      LEU  63  -9.089 -14.709   6.886
  562   HD23  LEU  63          HD23      LEU  63  -8.214 -15.838   7.956
  563    H    ILE  64           H        ILE  64 -13.195 -18.219   8.811
  564    HA   ILE  64           HA       ILE  64 -14.980 -16.286   7.701
  565    HB   ILE  64           HB       ILE  64 -14.982 -19.258   8.094
  566   HG12  ILE  64          HG12      ILE  64 -15.327 -17.618   5.595
  567   HG13  ILE  64          HG13      ILE  64 -13.751 -18.051   6.283
  568   HG21  ILE  64          HG21      ILE  64 -17.423 -17.739   7.059
  569   HG22  ILE  64          HG22      ILE  64 -17.183 -19.493   6.939
  570   HG23  ILE  64          HG23      ILE  64 -17.363 -18.763   8.519
  571   HD11  ILE  64          HD11      ILE  64 -14.276 -19.598   4.508
  572   HD12  ILE  64          HD12      ILE  64 -14.268 -20.455   6.060
  573   HD13  ILE  64          HD13      ILE  64 -15.808 -20.036   5.276
  574    H    LYS  65           H        LYS  65 -15.285 -18.163  10.754
  575    HA   LYS  65           HA       LYS  65 -17.879 -17.162  11.407
  576    HB2  LYS  65           HB2      LYS  65 -16.759 -19.217  12.308
  577    HB3  LYS  65           HB3      LYS  65 -15.760 -18.184  13.342
  578    HG2  LYS  65           HG2      LYS  65 -17.794 -17.302  14.441
  579    HG3  LYS  65           HG3      LYS  65 -18.807 -18.256  13.329
  580    HD2  LYS  65           HD2      LYS  65 -17.818 -20.352  14.231
  581    HD3  LYS  65           HD3      LYS  65 -16.824 -19.400  15.352
  582    HE2  LYS  65           HE2      LYS  65 -18.889 -18.459  16.380
  583    HE3  LYS  65           HE3      LYS  65 -19.878 -19.402  15.253
  584    HZ1  LYS  65           HZ1      LYS  65 -19.662 -20.523  17.403
  585    HZ2  LYS  65           HZ2      LYS  65 -18.953 -21.439  16.252
  586    HZ3  LYS  65           HZ3      LYS  65 -18.036 -20.565  17.290
  587    H    ILE  66           H        ILE  66 -14.655 -15.898  12.521
  588    HA   ILE  66           HA       ILE  66 -15.941 -13.726  13.959
  589    HB   ILE  66           HB       ILE  66 -13.885 -14.181  14.774
  590   HG12  ILE  66          HG12      ILE  66 -14.382 -11.743  14.668
  591   HG13  ILE  66          HG13      ILE  66 -12.716 -12.194  14.917
  592   HG21  ILE  66          HG21      ILE  66 -12.664 -15.334  13.122
  593   HG22  ILE  66          HG22      ILE  66 -12.599 -13.924  12.040
  594   HG23  ILE  66          HG23      ILE  66 -11.699 -13.949  13.579
  595   HD11  ILE  66          HD11      ILE  66 -12.662 -10.301  13.497
  596   HD12  ILE  66          HD12      ILE  66 -12.268 -11.667  12.451
  597   HD13  ILE  66          HD13      ILE  66 -13.880 -10.935  12.406
  598    H    ILE  67           H        ILE  67 -14.740 -13.897  10.593
  599    HA   ILE  67           HA       ILE  67 -15.415 -11.185   9.931
  600    HB   ILE  67           HB       ILE  67 -14.877 -13.703   8.408
  601   HG12  ILE  67          HG12      ILE  67 -13.128 -12.466   7.383
  602   HG13  ILE  67          HG13      ILE  67 -13.797 -10.918   7.891
  603   HG21  ILE  67          HG21      ILE  67 -15.252 -12.528   6.230
  604   HG22  ILE  67          HG22      ILE  67 -16.750 -12.899   7.089
  605   HG23  ILE  67          HG23      ILE  67 -16.093 -11.245   7.111
  606   HD11  ILE  67          HD11      ILE  67 -12.643 -12.915   9.864
  607   HD12  ILE  67          HD12      ILE  67 -11.699 -11.643   9.090
  608   HD13  ILE  67          HD13      ILE  67 -13.051 -11.212  10.146
  609    H    ARG  68           H        ARG  68 -17.492 -14.139   9.586
  610    HA   ARG  68           HA       ARG  68 -19.829 -12.751   8.699
  611    HB2  ARG  68           HB2      ARG  68 -19.370 -15.394  10.122
  612    HB3  ARG  68           HB3      ARG  68 -20.992 -14.759   9.950
  613    HG2  ARG  68           HG2      ARG  68 -20.504 -14.571   7.403
  614    HG3  ARG  68           HG3      ARG  68 -19.127 -15.640   7.723
  615    HD2  ARG  68           HD2      ARG  68 -20.612 -17.307   8.734
  616    HD3  ARG  68           HD3      ARG  68 -21.991 -16.228   8.654
  617    HE   ARG  68           HE       ARG  68 -20.893 -17.883   6.508
  618   HH11  ARG  68          HH11      ARG  68 -22.906 -15.001   6.962
  619   HH12  ARG  68          HH12      ARG  68 -24.055 -15.568   5.772
  620   HH21  ARG  68          HH21      ARG  68 -22.437 -18.414   4.919
  621   HH22  ARG  68          HH22      ARG  68 -23.767 -17.302   4.650
  622    H    ARG  69           H        ARG  69 -18.592 -12.992  11.974
  623    HA   ARG  69           HA       ARG  69 -21.116 -11.929  13.106
  624    HB2  ARG  69           HB2      ARG  69 -19.867 -13.828  14.104
  625    HB3  ARG  69           HB3      ARG  69 -18.536 -12.728  14.515
  626    HG2  ARG  69           HG2      ARG  69 -20.007 -11.440  15.994
  627    HG3  ARG  69           HG3      ARG  69 -21.427 -12.340  15.425
  628    HD2  ARG  69           HD2      ARG  69 -20.484 -14.429  16.365
  629    HD3  ARG  69           HD3      ARG  69 -19.060 -13.532  16.920
  630    HE   ARG  69           HE       ARG  69 -21.634 -12.479  17.875
  631   HH11  ARG  69          HH11      ARG  69 -22.067 -12.462  20.048
  632   HH12  ARG  69          HH12      ARG  69 -21.121 -13.432  21.134
  633   HH21  ARG  69          HH21      ARG  69 -19.085 -14.752  18.700
  634   HH22  ARG  69          HH22      ARG  69 -19.465 -14.691  20.401
  635    H    ARG  70           H        ARG  70 -17.777 -10.730  12.652
  636    HA   ARG  70           HA       ARG  70 -18.343  -8.127  13.921
  637    HB2  ARG  70           HB2      ARG  70 -16.069  -9.104  12.136
  638    HB3  ARG  70           HB3      ARG  70 -16.130  -7.500  12.856
  639    HG2  ARG  70           HG2      ARG  70 -16.055 -10.101  14.445
  640    HG3  ARG  70           HG3      ARG  70 -14.674  -9.080  14.048
  641    HD2  ARG  70           HD2      ARG  70 -15.180  -8.525  16.260
  642    HD3  ARG  70           HD3      ARG  70 -15.797  -7.189  15.284
  643    HE   ARG  70           HE       ARG  70 -17.654  -9.389  16.089
  644   HH11  ARG  70          HH11      ARG  70 -16.583  -6.148  16.875
  645   HH12  ARG  70          HH12      ARG  70 -18.049  -5.769  17.733
  646   HH21  ARG  70          HH21      ARG  70 -19.539  -8.808  17.142
  647   HH22  ARG  70          HH22      ARG  70 -19.660  -7.253  17.903
  648    H    LEU  71           H        LEU  71 -18.389  -9.318  10.599
  649    HA   LEU  71           HA       LEU  71 -19.378  -6.694   9.594
  650    HB2  LEU  71           HB2      LEU  71 -19.116  -9.299   8.062
  651    HB3  LEU  71           HB3      LEU  71 -19.338  -7.678   7.411
  652    HG   LEU  71           HG       LEU  71 -16.825  -8.820   8.713
  653   HD11  LEU  71          HD11      LEU  71 -17.242  -9.488   6.388
  654   HD12  LEU  71          HD12      LEU  71 -17.456  -7.807   5.909
  655   HD13  LEU  71          HD13      LEU  71 -15.863  -8.383   6.476
  656   HD21  LEU  71          HD21      LEU  71 -17.298  -5.985   7.728
  657   HD22  LEU  71          HD22      LEU  71 -17.004  -6.473   9.411
  658   HD23  LEU  71          HD23      LEU  71 -15.730  -6.686   8.213
  659    H    GLN  72           H        GLN  72 -21.533  -6.530   8.642
  660    HA   GLN  72           HA       GLN  72 -23.541  -8.043  10.090
  661    HB2  GLN  72           HB2      GLN  72 -23.764  -5.819   8.041
  662    HB3  GLN  72           HB3      GLN  72 -25.139  -6.551   8.892
  663    HG2  GLN  72           HG2      GLN  72 -24.138  -5.928  11.081
  664    HG3  GLN  72           HG3      GLN  72 -22.811  -5.115  10.245
  665   HE21  GLN  72          HE21      GLN  72 -25.207  -2.448  11.111
  666   HE22  GLN  72          HE22      GLN  72 -24.123  -3.534  11.964
  667    H    LEU  73           H        LEU  73 -22.442 -10.011   9.007
  668    HA   LEU  73           HA       LEU  73 -23.945 -10.900   6.572
  669    HB2  LEU  73           HB2      LEU  73 -20.993 -11.285   7.184
  670    HB3  LEU  73           HB3      LEU  73 -21.847 -12.001   5.819
  671    HG   LEU  73           HG       LEU  73 -21.478  -8.997   6.242
  672   HD11  LEU  73          HD11      LEU  73 -19.788  -9.110   4.512
  673   HD12  LEU  73          HD12      LEU  73 -19.355 -10.257   5.793
  674   HD13  LEU  73          HD13      LEU  73 -20.068 -10.846   4.284
  675   HD21  LEU  73          HD21      LEU  73 -23.452  -9.481   4.839
  676   HD22  LEU  73          HD22      LEU  73 -22.134  -8.863   3.841
  677   HD23  LEU  73          HD23      LEU  73 -22.496 -10.604   3.846
  678    H    ASN  74           H        ASN  74 -25.038 -11.414   8.869
  679    HA   ASN  74           HA       ASN  74 -24.384 -13.599  10.464
  680    HB2  ASN  74           HB2      ASN  74 -26.222 -12.041  10.909
  681    HB3  ASN  74           HB3      ASN  74 -27.077 -12.561   9.459
  682   HD21  ASN  74          HD21      ASN  74 -27.644 -14.625  12.872
  683   HD22  ASN  74          HD22      ASN  74 -26.583 -13.226  12.840
  684    H    ALA  75           H        ALA  75 -25.037 -15.833  10.501
  685    HA   ALA  75           HA       ALA  75 -24.347 -17.416   8.382
  686    HB1  ALA  75           HB1      ALA  75 -24.640 -18.130  10.732
  687    HB2  ALA  75           HB2      ALA  75 -26.409 -17.996  10.553
  688    HB3  ALA  75           HB3      ALA  75 -25.506 -19.218   9.629
  689    H    ASN  76           H        ASN  76 -27.639 -16.165   8.925
  690    HA   ASN  76           HA       ASN  76 -29.016 -17.765   6.991
  691    HB2  ASN  76           HB2      ASN  76 -30.066 -16.547   8.852
  692    HB3  ASN  76           HB3      ASN  76 -29.549 -15.006   8.168
  693   HD21  ASN  76          HD21      ASN  76 -32.526 -14.752   6.330
  694   HD22  ASN  76          HD22      ASN  76 -31.207 -13.960   7.186
  695    H    GLN  77           H        GLN  77 -27.003 -14.871   6.559
  696    HA   GLN  77           HA       GLN  77 -28.005 -14.250   3.892
  697    HB2  GLN  77           HB2      GLN  77 -27.133 -12.504   5.404
  698    HB3  GLN  77           HB3      GLN  77 -25.546 -13.277   5.408
  699    HG2  GLN  77           HG2      GLN  77 -25.550 -11.351   3.923
  700    HG3  GLN  77           HG3      GLN  77 -25.268 -12.816   2.998
  701   HE21  GLN  77          HE21      GLN  77 -28.801 -10.733   2.466
  702   HE22  GLN  77          HE22      GLN  77 -27.763 -10.347   3.827
  703    H    ALA  78           H        ALA  78 -27.201 -14.838   1.956
  704    HA   ALA  78           HA       ALA  78 -25.506 -17.164   1.676
  705    HB1  ALA  78           HB1      ALA  78 -27.361 -16.683   0.139
  706    HB2  ALA  78           HB2      ALA  78 -26.584 -15.168  -0.370
  707    HB3  ALA  78           HB3      ALA  78 -25.827 -16.732  -0.741
  708    H    PHE  79           H        PHE  79 -23.355 -17.176   1.815
  709    HA   PHE  79           HA       PHE  79 -21.691 -15.043   0.779
  710    HB2  PHE  79           HB2      PHE  79 -22.148 -13.862   2.678
  711    HB3  PHE  79           HB3      PHE  79 -22.234 -15.276   3.690
  712    HD1  PHE  79           HD1      PHE  79 -20.056 -16.528   4.317
  713    HD2  PHE  79           HD2      PHE  79 -20.156 -12.564   2.622
  714    HE1  PHE  79           HE1      PHE  79 -17.787 -16.088   5.214
  715    HE2  PHE  79           HE2      PHE  79 -17.911 -12.104   3.599
  716    HZ   PHE  79           HZ       PHE  79 -16.718 -13.872   4.853
  717    H    PHE  80           H        PHE  80 -19.667 -15.477   0.304
  718    HA   PHE  80           HA       PHE  80 -18.406 -18.031   1.222
  719    HB2  PHE  80           HB2      PHE  80 -18.446 -16.946  -1.634
  720    HB3  PHE  80           HB3      PHE  80 -17.636 -18.405  -1.079
  721    HD1  PHE  80           HD1      PHE  80 -20.924 -16.870  -1.841
  722    HD2  PHE  80           HD2      PHE  80 -18.849 -20.480  -0.747
  723    HE1  PHE  80           HE1      PHE  80 -22.965 -18.205  -2.367
  724    HE2  PHE  80           HE2      PHE  80 -20.874 -21.811  -1.290
  725    HZ   PHE  80           HZ       PHE  80 -22.935 -20.674  -2.096
  726    H    LEU  81           H        LEU  81 -16.403 -17.610   2.023
  727    HA   LEU  81           HA       LEU  81 -15.005 -15.077   1.296
  728    HB2  LEU  81           HB2      LEU  81 -15.397 -15.469   3.654
  729    HB3  LEU  81           HB3      LEU  81 -14.607 -17.039   3.566
  730    HG   LEU  81           HG       LEU  81 -12.456 -16.114   3.427
  731   HD11  LEU  81          HD11      LEU  81 -12.060 -13.602   3.266
  732   HD12  LEU  81          HD12      LEU  81 -12.773 -14.249   1.790
  733   HD13  LEU  81          HD13      LEU  81 -13.788 -13.379   2.968
  734   HD21  LEU  81          HD21      LEU  81 -12.290 -14.618   5.357
  735   HD22  LEU  81          HD22      LEU  81 -14.043 -14.314   5.292
  736   HD23  LEU  81          HD23      LEU  81 -13.420 -15.936   5.661
  737    H    LEU  82           H        LEU  82 -13.516 -15.137  -0.216
  738    HA   LEU  82           HA       LEU  82 -12.474 -17.738  -1.194
  739    HB2  LEU  82           HB2      LEU  82 -12.643 -15.206  -2.810
  740    HB3  LEU  82           HB3      LEU  82 -12.615 -16.861  -3.381
  741    HG   LEU  82           HG       LEU  82 -14.995 -15.422  -2.101
  742   HD11  LEU  82          HD11      LEU  82 -15.956 -15.512  -4.346
  743   HD12  LEU  82          HD12      LEU  82 -14.413 -14.651  -4.390
  744   HD13  LEU  82          HD13      LEU  82 -14.510 -16.330  -4.973
  745   HD21  LEU  82          HD21      LEU  82 -14.830 -18.188  -3.378
  746   HD22  LEU  82          HD22      LEU  82 -15.155 -17.841  -1.649
  747   HD23  LEU  82          HD23      LEU  82 -16.318 -17.358  -2.893
  748    H    VAL  83           H        VAL  83 -10.272 -17.976  -1.654
  749    HA   VAL  83           HA       VAL  83  -8.491 -15.640  -1.048
  750    HB   VAL  83           HB       VAL  83  -8.078 -17.462   0.487
  751   HG11  VAL  83          HG11      VAL  83  -7.103 -19.581  -0.181
  752   HG12  VAL  83          HG12      VAL  83  -8.661 -19.414  -0.996
  753   HG13  VAL  83          HG13      VAL  83  -7.157 -19.129  -1.895
  754   HG21  VAL  83          HG21      VAL  83  -5.822 -17.022  -1.484
  755   HG22  VAL  83          HG22      VAL  83  -6.267 -15.958  -0.128
  756   HG23  VAL  83          HG23      VAL  83  -5.665 -17.594   0.190
  757    H    ASN  84           H        ASN  84  -7.369 -14.809  -2.683
  758    HA   ASN  84           HA       ASN  84  -7.084 -14.252  -4.886
  759    HB2  ASN  84           HB2      ASN  84  -5.985 -17.087  -4.886
  760    HB3  ASN  84           HB3      ASN  84  -5.655 -15.889  -6.137
  761   HD21  ASN  84          HD21      ASN  84  -3.032 -15.916  -3.311
  762   HD22  ASN  84          HD22      ASN  84  -3.898 -17.280  -4.013
  763    H    GLY  85           H        GLY  85  -9.727 -14.962  -4.364
  764    HA2  GLY  85           HA2      GLY  85 -11.678 -15.049  -5.537
  765    HA3  GLY  85           HA3      GLY  85 -10.789 -15.378  -7.023
  766    H    HIS  86           H        HIS  86  -9.982 -17.806  -4.726
  767    HA   HIS  86           HA       HIS  86 -12.213 -19.596  -5.664
  768    HB2  HIS  86           HB2      HIS  86  -9.342 -20.279  -4.932
  769    HB3  HIS  86           HB3      HIS  86 -10.598 -21.474  -5.254
  770    HD1  HIS  86           HD1      HIS  86  -7.941 -19.814  -7.088
  771    HD2  HIS  86           HD2      HIS  86 -11.991 -20.795  -7.821
  772    HE1  HIS  86           HE1      HIS  86  -8.258 -19.745  -9.650
  773    HE2  HIS  86           HE2      HIS  86 -10.724 -20.353 -10.081
  774    H    SER  87           H        SER  87 -13.328 -20.912  -4.246
  775    HA   SER  87           HA       SER  87 -13.792 -19.616  -1.730
  776    HB2  SER  87           HB2      SER  87 -15.582 -20.591  -3.096
  777    HB3  SER  87           HB3      SER  87 -14.942 -22.218  -2.768
  778    HG   SER  87           HG       SER  87 -16.633 -21.650  -1.332
  779    H    MET  88           H        MET  88 -13.620 -20.172   0.336
  780    HA   MET  88           HA       MET  88 -12.184 -22.696   1.114
  781    HB2  MET  88           HB2      MET  88 -12.137 -19.959   2.426
  782    HB3  MET  88           HB3      MET  88 -11.356 -21.386   3.090
  783    HG2  MET  88           HG2      MET  88  -9.803 -21.540   1.270
  784    HG3  MET  88           HG3      MET  88 -10.630 -20.275   0.360
  785    HE1  MET  88           HE1      MET  88 -10.884 -17.943   0.976
  786    HE2  MET  88           HE2      MET  88 -11.177 -17.932   2.716
  787    HE3  MET  88           HE3      MET  88  -9.826 -16.999   2.047
  788    H    VAL  89           H        VAL  89 -15.238 -21.706   0.907
  789    HA   VAL  89           HA       VAL  89 -16.195 -21.310   3.478
  790    HB   VAL  89           HB       VAL  89 -17.322 -20.959   1.224
  791   HG11  VAL  89          HG11      VAL  89 -18.976 -22.592   0.526
  792   HG12  VAL  89          HG12      VAL  89 -17.382 -23.364   0.517
  793   HG13  VAL  89          HG13      VAL  89 -18.533 -23.692   1.839
  794   HG21  VAL  89          HG21      VAL  89 -19.030 -21.922   3.542
  795   HG22  VAL  89          HG22      VAL  89 -18.319 -20.298   3.374
  796   HG23  VAL  89          HG23      VAL  89 -19.534 -20.857   2.218
  797    H    SER  90           H        SER  90 -15.542 -24.472   2.134
  798    HA   SER  90           HA       SER  90 -16.763 -25.836   4.474
  799    HB2  SER  90           HB2      SER  90 -16.442 -27.861   3.120
  800    HB3  SER  90           HB3      SER  90 -17.375 -26.626   2.259
  801    HG   SER  90           HG       SER  90 -15.727 -27.568   0.933
  802    H    VAL  91           H        VAL  91 -13.691 -24.582   3.837
  803    HA   VAL  91           HA       VAL  91 -12.256 -26.999   4.615
  804    HB   VAL  91           HB       VAL  91 -11.627 -25.418   2.691
  805   HG11  VAL  91          HG11      VAL  91 -11.264 -23.399   4.194
  806   HG12  VAL  91          HG12      VAL  91  -9.839 -24.226   4.847
  807   HG13  VAL  91          HG13      VAL  91  -9.910 -23.812   3.123
  808   HG21  VAL  91          HG21      VAL  91 -10.460 -27.494   3.241
  809   HG22  VAL  91          HG22      VAL  91  -9.316 -26.222   2.799
  810   HG23  VAL  91          HG23      VAL  91  -9.522 -26.667   4.506
  811    H    SER  92           H        SER  92 -11.203 -27.540   6.385
  812    HA   SER  92           HA       SER  92 -11.507 -25.878   8.792
  813    HB2  SER  92           HB2      SER  92 -10.828 -27.953   9.940
  814    HB3  SER  92           HB3      SER  92 -12.177 -28.214   8.826
  815    HG   SER  92           HG       SER  92 -10.540 -29.834   8.605
  816    H    THR  93           H        THR  93  -9.016 -26.237   6.510
  817    HA   THR  93           HA       THR  93  -6.803 -26.656   8.089
  818    HB   THR  93           HB       THR  93  -7.038 -26.788   5.570
  819    HG1  THR  93           HG1      THR  93  -4.840 -26.820   5.439
  820   HG21  THR  93          HG21      THR  93  -5.716 -24.042   5.704
  821   HG22  THR  93          HG22      THR  93  -6.073 -25.011   4.260
  822   HG23  THR  93          HG23      THR  93  -7.401 -24.297   5.193
  823    HA   PRO  94           HA       PRO  94  -5.684 -22.928  10.249
  824    HB2  PRO  94           HB2      PRO  94  -2.838 -23.726   9.673
  825    HB3  PRO  94           HB3      PRO  94  -3.576 -23.205  11.219
  826    HG2  PRO  94           HG2      PRO  94  -3.096 -25.825  10.757
  827    HG3  PRO  94           HG3      PRO  94  -4.663 -25.323  11.492
  828    HD2  PRO  94           HD2      PRO  94  -4.061 -25.979   8.592
  829    HD3  PRO  94           HD3      PRO  94  -5.410 -26.547   9.620
  830    H    ILE  95           H        ILE  95  -5.098 -20.796   9.830
  831    HA   ILE  95           HA       ILE  95  -5.021 -19.903   7.161
  832    HB   ILE  95           HB       ILE  95  -5.836 -18.614   9.126
  833   HG12  ILE  95          HG12      ILE  95  -4.980 -16.378   8.509
  834   HG13  ILE  95          HG13      ILE  95  -3.710 -17.104   7.524
  835   HG21  ILE  95          HG21      ILE  95  -4.275 -17.360  10.545
  836   HG22  ILE  95          HG22      ILE  95  -4.007 -19.085  10.725
  837   HG23  ILE  95          HG23      ILE  95  -2.887 -18.105   9.741
  838   HD11  ILE  95          HD11      ILE  95  -6.703 -17.529   7.085
  839   HD12  ILE  95          HD12      ILE  95  -5.731 -16.299   6.256
  840   HD13  ILE  95          HD13      ILE  95  -5.389 -18.018   5.987
  841    H    SER  96           H        SER  96  -2.287 -20.818   9.191
  842    HA   SER  96           HA       SER  96  -0.176 -19.628   7.652
  843    HB2  SER  96           HB2      SER  96   1.216 -21.361   8.786
  844    HB3  SER  96           HB3      SER  96   0.222 -20.384   9.886
  845    HG   SER  96           HG       SER  96   0.137 -22.693  10.312
  846    H    GLU  97           H        GLU  97  -1.918 -22.751   7.324
  847    HA   GLU  97           HA       GLU  97  -0.210 -23.784   5.205
  848    HB2  GLU  97           HB2      GLU  97  -3.088 -24.463   5.926
  849    HB3  GLU  97           HB3      GLU  97  -2.071 -25.385   4.835
  850    HG2  GLU  97           HG2      GLU  97  -1.554 -24.968   7.818
  851    HG3  GLU  97           HG3      GLU  97  -2.262 -26.398   7.085
  852    H    VAL  98           H        VAL  98  -3.303 -21.976   5.254
  853    HA   VAL  98           HA       VAL  98  -3.560 -21.707   2.410
  854    HB   VAL  98           HB       VAL  98  -4.435 -19.609   4.411
  855   HG11  VAL  98          HG11      VAL  98  -4.590 -18.948   2.022
  856   HG12  VAL  98          HG12      VAL  98  -5.532 -20.413   1.680
  857   HG13  VAL  98          HG13      VAL  98  -6.188 -19.151   2.743
  858   HG21  VAL  98          HG21      VAL  98  -6.638 -20.782   4.368
  859   HG22  VAL  98          HG22      VAL  98  -5.869 -22.158   3.563
  860   HG23  VAL  98          HG23      VAL  98  -5.386 -21.688   5.212
  861    H    TYR  99           H        TYR  99  -1.860 -19.622   4.794
  862    HA   TYR  99           HA       TYR  99  -0.792 -17.781   2.993
  863    HB2  TYR  99           HB2      TYR  99  -0.589 -17.082   5.080
  864    HB3  TYR  99           HB3      TYR  99  -0.041 -18.622   5.704
  865    HD1  TYR  99           HD1      TYR  99   2.255 -19.186   5.900
  866    HD2  TYR  99           HD2      TYR  99   1.066 -15.614   3.790
  867    HE1  TYR  99           HE1      TYR  99   4.624 -18.459   5.812
  868    HE2  TYR  99           HE2      TYR  99   3.462 -14.900   3.682
  869    HH   TYR  99           HH       TYR  99   6.120 -16.919   4.942
  870    H    GLU 100           H        GLU 100   1.007 -20.777   3.896
  871    HA   GLU 100           HA       GLU 100   3.050 -20.142   2.000
  872    HB2  GLU 100           HB2      GLU 100   2.207 -22.781   3.233
  873    HB3  GLU 100           HB3      GLU 100   3.595 -22.644   2.158
  874    HG2  GLU 100           HG2      GLU 100   3.289 -21.129   4.780
  875    HG3  GLU 100           HG3      GLU 100   4.183 -22.624   4.569
  876    H    SER 101           H        SER 101  -0.058 -21.692   1.474
  877    HA   SER 101           HA       SER 101   0.605 -22.648  -1.209
  878    HB2  SER 101           HB2      SER 101  -0.986 -23.777   0.300
  879    HB3  SER 101           HB3      SER 101  -2.054 -22.360   0.227
  880    HG   SER 101           HG       SER 101  -2.596 -24.100  -1.268
  881    H    GLU 102           H        GLU 102  -1.034 -19.750   0.077
  882    HA   GLU 102           HA       GLU 102  -1.559 -18.750  -2.710
  883    HB2  GLU 102           HB2      GLU 102  -3.206 -18.520  -0.172
  884    HB3  GLU 102           HB3      GLU 102  -3.616 -17.755  -1.679
  885    HG2  GLU 102           HG2      GLU 102  -3.407 -20.768  -1.292
  886    HG3  GLU 102           HG3      GLU 102  -4.881 -19.829  -1.200
  887    H    LYS 103           H        LYS 103   0.516 -17.888  -0.265
  888    HA   LYS 103           HA       LYS 103  -0.002 -15.128  -0.055
  889    HB2  LYS 103           HB2      LYS 103   2.299 -14.824   0.647
  890    HB3  LYS 103           HB3      LYS 103   1.567 -16.209   1.434
  891    HG2  LYS 103           HG2      LYS 103   2.779 -17.724  -0.196
  892    HG3  LYS 103           HG3      LYS 103   3.521 -16.282  -0.918
  893    HD2  LYS 103           HD2      LYS 103   4.424 -15.689   1.367
  894    HD3  LYS 103           HD3      LYS 103   3.866 -17.272   1.942
  895    HE2  LYS 103           HE2      LYS 103   5.827 -16.827  -0.360
  896    HE3  LYS 103           HE3      LYS 103   6.315 -17.144   1.308
  897    HZ1  LYS 103           HZ1      LYS 103   5.335 -19.333   1.199
  898    HZ2  LYS 103           HZ2      LYS 103   4.695 -19.060  -0.306
  899    HZ3  LYS 103           HZ3      LYS 103   6.309 -19.160  -0.085
  900    H    ASP 104           H        ASP 104   0.556 -13.338  -1.052
  901    HA   ASP 104           HA       ASP 104   2.362 -13.313  -3.364
  902    HB2  ASP 104           HB2      ASP 104  -0.525 -12.503  -3.426
  903    HB3  ASP 104           HB3      ASP 104   0.649 -11.646  -4.428
  904    H    GLU 105           H        GLU 105   3.528 -11.484  -3.794
  905    HA   GLU 105           HA       GLU 105   4.423 -10.186  -1.475
  906    HB2  GLU 105           HB2      GLU 105   4.880  -9.452  -4.404
  907    HB3  GLU 105           HB3      GLU 105   5.752  -8.781  -3.040
  908    HG2  GLU 105           HG2      GLU 105   7.208 -10.389  -3.741
  909    HG3  GLU 105           HG3      GLU 105   6.406 -11.169  -2.384
  910    H    ASP 106           H        ASP 106   1.881  -9.060  -3.607
  911    HA   ASP 106           HA       ASP 106   2.016  -6.313  -2.648
  912    HB2  ASP 106           HB2      ASP 106  -0.076  -5.962  -3.974
  913    HB3  ASP 106           HB3      ASP 106   1.407  -6.356  -4.821
  914    H    GLY 107           H        GLY 107   0.900  -8.996  -1.036
  915    HA2  GLY 107           HA2      GLY 107  -0.127  -7.338   1.050
  916    HA3  GLY 107           HA3      GLY 107  -1.498  -7.951   0.118
  917    H    PHE 108           H        PHE 108   1.178 -10.181   0.489
  918    HA   PHE 108           HA       PHE 108   1.241 -12.165   1.451
  919    HB2  PHE 108           HB2      PHE 108   0.144 -10.753   3.808
  920    HB3  PHE 108           HB3      PHE 108   0.276 -12.495   3.809
  921    HD1  PHE 108           HD1      PHE 108   2.085 -13.320   4.950
  922    HD2  PHE 108           HD2      PHE 108   2.540  -9.631   2.760
  923    HE1  PHE 108           HE1      PHE 108   4.457 -13.188   5.652
  924    HE2  PHE 108           HE2      PHE 108   4.921  -9.512   3.470
  925    HZ   PHE 108           HZ       PHE 108   5.872 -11.280   4.927
  926    H    LEU 109           H        LEU 109  -1.835 -12.216   3.107
  927    HA   LEU 109           HA       LEU 109  -2.810 -13.999   0.912
  928    HB2  LEU 109           HB2      LEU 109  -3.556 -13.643   3.820
  929    HB3  LEU 109           HB3      LEU 109  -4.661 -14.423   2.690
  930    HG   LEU 109           HG       LEU 109  -1.847 -15.394   3.342
  931   HD11  LEU 109          HD11      LEU 109  -4.603 -16.567   3.929
  932   HD12  LEU 109          HD12      LEU 109  -3.035 -17.237   4.435
  933   HD13  LEU 109          HD13      LEU 109  -3.588 -15.703   5.115
  934   HD21  LEU 109          HD21      LEU 109  -2.282 -16.055   1.064
  935   HD22  LEU 109          HD22      LEU 109  -2.716 -17.450   2.042
  936   HD23  LEU 109          HD23      LEU 109  -3.992 -16.397   1.418
  937    H    TYR 110           H        TYR 110  -3.701 -12.889  -0.680
  938    HA   TYR 110           HA       TYR 110  -5.644 -10.753  -0.154
  939    HB2  TYR 110           HB2      TYR 110  -4.226 -11.752  -2.514
  940    HB3  TYR 110           HB3      TYR 110  -5.926 -11.491  -2.822
  941    HD1  TYR 110           HD1      TYR 110  -6.988  -9.300  -2.510
  942    HD2  TYR 110           HD2      TYR 110  -2.712  -9.820  -2.132
  943    HE1  TYR 110           HE1      TYR 110  -6.668  -6.875  -2.911
  944    HE2  TYR 110           HE2      TYR 110  -2.400  -7.378  -2.544
  945    HH   TYR 110           HH       TYR 110  -5.114  -5.252  -3.472
  946    H    MET 111           H        MET 111  -7.568 -11.214   0.670
  947    HA   MET 111           HA       MET 111  -9.057 -13.509  -0.492
  948    HB2  MET 111           HB2      MET 111  -9.540 -12.211   2.220
  949    HB3  MET 111           HB3      MET 111 -10.430 -13.552   1.504
  950    HG2  MET 111           HG2      MET 111  -8.282 -14.881   1.475
  951    HG3  MET 111           HG3      MET 111  -7.549 -13.587   2.436
  952    HE1  MET 111           HE1      MET 111  -7.633 -16.685   3.186
  953    HE2  MET 111           HE2      MET 111  -6.810 -15.424   4.135
  954    HE3  MET 111           HE3      MET 111  -7.928 -16.555   4.932
  955    H    VAL 112           H        VAL 112 -11.138 -13.243  -1.208
  956    HA   VAL 112           HA       VAL 112 -12.341 -10.573  -0.965
  957    HB   VAL 112           HB       VAL 112 -13.049 -10.277  -3.134
  958   HG11  VAL 112          HG11      VAL 112 -11.089 -10.269  -4.544
  959   HG12  VAL 112          HG12      VAL 112 -10.569  -9.899  -2.894
  960   HG13  VAL 112          HG13      VAL 112 -10.296 -11.520  -3.565
  961   HG21  VAL 112          HG21      VAL 112 -12.785 -11.932  -4.962
  962   HG22  VAL 112          HG22      VAL 112 -12.211 -13.124  -3.783
  963   HG23  VAL 112          HG23      VAL 112 -13.877 -12.496  -3.691
  964    H    TYR 113           H        TYR 113 -14.721 -10.561  -0.893
  965    HA   TYR 113           HA       TYR 113 -15.807 -13.333  -0.453
  966    HB2  TYR 113           HB2      TYR 113 -17.123 -12.637   1.365
  967    HB3  TYR 113           HB3      TYR 113 -15.474 -12.157   1.712
  968    HD1  TYR 113           HD1      TYR 113 -18.899 -11.024   1.160
  969    HD2  TYR 113           HD2      TYR 113 -14.803  -9.734   1.516
  970    HE1  TYR 113           HE1      TYR 113 -19.672  -8.688   1.540
  971    HE2  TYR 113           HE2      TYR 113 -15.581  -7.401   1.878
  972    HH   TYR 113           HH       TYR 113 -19.034  -6.459   1.871
  973    H    ALA 114           H        ALA 114 -17.935 -13.684  -0.935
  974    HA   ALA 114           HA       ALA 114 -19.343 -11.801  -2.791
  975    HB1  ALA 114           HB1      ALA 114 -19.128 -13.532  -4.559
  976    HB2  ALA 114           HB2      ALA 114 -17.539 -12.965  -4.043
  977    HB3  ALA 114           HB3      ALA 114 -18.141 -14.526  -3.468
  978    H    SER 115           H        SER 115 -21.496 -12.434  -3.276
  979    HA   SER 115           HA       SER 115 -22.761 -14.345  -1.429
  980    HB2  SER 115           HB2      SER 115 -24.871 -13.506  -2.610
  981    HB3  SER 115           HB3      SER 115 -23.960 -12.379  -1.599
  982    HG   SER 115           HG       SER 115 -24.425 -11.329  -3.474
  983    H    GLN 116           H        GLN 116 -21.038 -14.845  -4.082
  984    HA   GLN 116           HA       GLN 116 -22.274 -17.420  -4.723
  985    HB2  GLN 116           HB2      GLN 116 -22.170 -17.018  -7.138
  986    HB3  GLN 116           HB3      GLN 116 -23.366 -16.013  -6.355
  987    HG2  GLN 116           HG2      GLN 116 -20.633 -15.076  -7.342
  988    HG3  GLN 116           HG3      GLN 116 -22.170 -14.854  -8.167
  989   HE21  GLN 116          HE21      GLN 116 -23.229 -12.526  -5.413
  990   HE22  GLN 116          HE22      GLN 116 -23.942 -13.786  -6.413
  991    H    GLU 117           H        GLU 117 -20.686 -18.970  -5.368
  992    HA   GLU 117           HA       GLU 117 -17.967 -18.296  -4.655
  993    HB2  GLU 117           HB2      GLU 117 -17.488 -20.560  -4.899
  994    HB3  GLU 117           HB3      GLU 117 -19.095 -20.497  -4.207
  995    HG2  GLU 117           HG2      GLU 117 -18.409 -21.066  -7.135
  996    HG3  GLU 117           HG3      GLU 117 -18.729 -22.275  -5.915
  997    H    THR 118           H        THR 118 -19.656 -18.157  -7.648
  998    HA   THR 118           HA       THR 118 -17.384 -17.115  -9.037
  999    HB   THR 118           HB       THR 118 -17.047 -19.579  -9.368
 1000    HG1  THR 118           HG1      THR 118 -16.543 -19.253 -11.524
 1001   HG21  THR 118          HG21      THR 118 -19.451 -19.345 -11.245
 1002   HG22  THR 118          HG22      THR 118 -18.397 -20.756 -11.011
 1003   HG23  THR 118          HG23      THR 118 -19.460 -20.229  -9.700
 1004    H    PHE 119           H        PHE 119 -17.985 -16.233 -11.209
 1005    HA   PHE 119           HA       PHE 119 -20.839 -15.671 -11.552
 1006    HB2  PHE 119           HB2      PHE 119 -20.392 -14.185  -9.771
 1007    HB3  PHE 119           HB3      PHE 119 -18.913 -13.624 -10.522
 1008    HD1  PHE 119           HD1      PHE 119 -22.599 -13.483 -10.646
 1009    HD2  PHE 119           HD2      PHE 119 -18.917 -11.860 -12.194
 1010    HE1  PHE 119           HE1      PHE 119 -23.857 -11.582 -11.652
 1011    HE2  PHE 119           HE2      PHE 119 -20.174  -9.960 -13.197
 1012    HZ   PHE 119           HZ       PHE 119 -22.644  -9.823 -12.927
 1013    H    GLY 120           H        GLY 120 -21.503 -14.621 -13.430
 1014    HA2  GLY 120           HA2      GLY 120 -19.815 -15.295 -15.743
 1015    HA3  GLY 120           HA3      GLY 120 -21.518 -14.876 -15.756
 1016    H1   ASP  10           H1       ASP  10 -11.020  -1.174  21.236
 1017    H2   ASP  10           H2       ASP  10 -11.556  -1.067  19.697
 1018    H3   ASP  10           H3       ASP  10 -10.098  -1.766  20.015
 1019    HA   ASP  10           HA       ASP  10 -10.858   1.041  20.459
 1020    HB2  ASP  10           HB2      ASP  10  -8.238  -0.264  21.135
 1021    HB3  ASP  10           HB3      ASP  10  -8.412   1.478  20.896
 1022    H    TYR  11           H        TYR  11  -7.846   0.140  18.863
 1023    HA   TYR  11           HA       TYR  11  -8.346   2.112  16.894
 1024    HB2  TYR  11           HB2      TYR  11  -6.116   1.133  15.922
 1025    HB3  TYR  11           HB3      TYR  11  -6.183   2.082  17.395
 1026    HD1  TYR  11           HD1      TYR  11  -6.331  -1.539  16.279
 1027    HD2  TYR  11           HD2      TYR  11  -5.171   1.296  19.338
 1028    HE1  TYR  11           HE1      TYR  11  -5.651  -3.403  17.808
 1029    HE2  TYR  11           HE2      TYR  11  -4.321  -0.564  20.751
 1030    HH   TYR  11           HH       TYR  11  -4.131  -2.851  20.990
 1031    H    GLU  12           H        GLU  12  -8.767  -1.348  16.575
 1032    HA   GLU  12           HA       GLU  12  -8.971  -2.710  14.776
 1033    HB2  GLU  12           HB2      GLU  12 -10.894  -2.318  13.334
 1034    HB3  GLU  12           HB3      GLU  12 -11.182  -2.330  15.070
 1035    HG2  GLU  12           HG2      GLU  12 -11.398   0.110  15.120
 1036    HG3  GLU  12           HG3      GLU  12 -11.029   0.204  13.387
 1037    H    SER  13           H        SER  13  -9.816  -0.569  12.208
 1038    HA   SER  13           HA       SER  13  -7.505  -1.508  10.683
 1039    HB2  SER  13           HB2      SER  13  -9.770  -1.181   9.689
 1040    HB3  SER  13           HB3      SER  13  -9.586   0.563   9.986
 1041    HG   SER  13           HG       SER  13  -8.113  -1.078   8.194
 1042    H    ASP  14           H        ASP  14  -5.536  -0.635  10.730
 1043    HA   ASP  14           HA       ASP  14  -5.084   2.244  10.566
 1044    HB2  ASP  14           HB2      ASP  14  -5.542   1.528  13.085
 1045    HB3  ASP  14           HB3      ASP  14  -3.983   0.741  12.983
 1046    H    ASP  15           H        ASP  15  -2.543   2.323  11.158
 1047    HA   ASP  15           HA       ASP  15  -1.032  -0.007  10.311
 1048    HB2  ASP  15           HB2      ASP  15   0.505   1.424   8.839
 1049    HB3  ASP  15           HB3      ASP  15  -0.980   0.722   8.214
 1050    H    ASP  16           H        ASP  16   1.159  -0.134  10.898
 1051    HA   ASP  16           HA       ASP  16   2.646  -0.261  12.522
 1052    HB2  ASP  16           HB2      ASP  16   3.675   1.568  11.704
 1053    HB3  ASP  16           HB3      ASP  16   2.464   2.686  12.314
 1054    H    SER  17           H        SER  17   2.340  -1.450  14.198
 1055    HA   SER  17           HA       SER  17   1.659  -2.295  16.170
 1056    HB2  SER  17           HB2      SER  17   3.323  -0.614  16.831
 1057    HB3  SER  17           HB3      SER  17   2.018   0.539  17.151
 1058    HG   SER  17           HG       SER  17   2.678  -0.619  19.047
 1059    H    TYR  18           H        TYR  18  -0.441  -2.887  15.416
 1060    HA   TYR  18           HA       TYR  18  -2.725  -1.836  16.925
 1061    HB2  TYR  18           HB2      TYR  18  -3.955  -1.047  14.996
 1062    HB3  TYR  18           HB3      TYR  18  -2.415  -0.225  14.953
 1063    HD1  TYR  18           HD1      TYR  18  -0.578  -1.128  13.404
 1064    HD2  TYR  18           HD2      TYR  18  -4.686  -2.382  13.179
 1065    HE1  TYR  18           HE1      TYR  18  -0.105  -2.206  11.208
 1066    HE2  TYR  18           HE2      TYR  18  -4.200  -3.415  10.920
 1067    HH   TYR  18           HH       TYR  18  -0.955  -3.415   9.482
 1068    H    GLU  19           H        GLU  19  -4.769  -3.007  15.911
 1069    HA   GLU  19           HA       GLU  19  -4.300  -5.499  14.464
 1070    HB2  GLU  19           HB2      GLU  19  -3.941  -6.297  16.739
 1071    HB3  GLU  19           HB3      GLU  19  -5.417  -5.525  17.302
 1072    HG2  GLU  19           HG2      GLU  19  -5.701  -7.958  16.991
 1073    HG3  GLU  19           HG3      GLU  19  -6.809  -7.019  15.999
 1074    H    VAL  20           H        VAL  20  -5.934  -5.743  13.003
 1075    HA   VAL  20           HA       VAL  20  -8.262  -3.985  13.165
 1076    HB   VAL  20           HB       VAL  20  -7.928  -5.976  10.989
 1077   HG11  VAL  20          HG11      VAL  20  -9.292  -3.273  11.257
 1078   HG12  VAL  20          HG12      VAL  20  -9.013  -4.044   9.685
 1079   HG13  VAL  20          HG13      VAL  20 -10.014  -4.847  10.882
 1080   HG21  VAL  20          HG21      VAL  20  -6.448  -3.368  11.259
 1081   HG22  VAL  20          HG22      VAL  20  -5.790  -4.997  10.936
 1082   HG23  VAL  20          HG23      VAL  20  -6.725  -4.164   9.696
 1083    H    LEU  21           H        LEU  21  -7.680  -7.326  13.850
 1084    HA   LEU  21           HA       LEU  21 -10.468  -8.219  13.813
 1085    HB2  LEU  21           HB2      LEU  21  -7.988  -9.156  15.307
 1086    HB3  LEU  21           HB3      LEU  21  -9.520 -10.033  15.282
 1087    HG   LEU  21           HG       LEU  21  -7.926  -9.504  12.751
 1088   HD11  LEU  21          HD11      LEU  21  -6.530 -10.805  14.269
 1089   HD12  LEU  21          HD12      LEU  21  -7.877 -11.935  14.578
 1090   HD13  LEU  21          HD13      LEU  21  -7.148 -11.826  12.959
 1091   HD21  LEU  21          HD21      LEU  21 -10.338 -10.115  12.452
 1092   HD22  LEU  21          HD22      LEU  21  -9.244 -11.362  11.849
 1093   HD23  LEU  21          HD23      LEU  21 -10.055 -11.582  13.415
 1094    H    ASP  22           H        ASP  22  -8.711  -6.073  15.798
 1095    HA   ASP  22           HA       ASP  22  -8.704  -5.321  17.872
 1096    HB2  ASP  22           HB2      ASP  22 -10.777  -4.347  16.843
 1097    HB3  ASP  22           HB3      ASP  22 -11.729  -5.606  17.632
 1098    H    LEU  23           H        LEU  23  -8.241  -8.062  17.706
 1099    HA   LEU  23           HA       LEU  23  -9.722  -9.507  19.799
 1100    HB2  LEU  23           HB2      LEU  23  -9.522 -10.372  17.501
 1101    HB3  LEU  23           HB3      LEU  23  -7.764 -10.376  17.635
 1102    HG   LEU  23           HG       LEU  23  -7.940 -12.178  19.370
 1103   HD11  LEU  23          HD11      LEU  23 -10.273 -11.751  20.172
 1104   HD12  LEU  23          HD12      LEU  23 -10.889 -12.199  18.568
 1105   HD13  LEU  23          HD13      LEU  23 -10.073 -13.407  19.580
 1106   HD21  LEU  23          HD21      LEU  23  -8.542 -13.957  17.768
 1107   HD22  LEU  23          HD22      LEU  23  -9.329 -12.771  16.710
 1108   HD23  LEU  23          HD23      LEU  23  -7.570 -12.708  16.977
 1109    H    THR  24           H        THR  24  -8.616 -10.781  21.443
 1110    HA   THR  24           HA       THR  24  -6.697  -9.198  22.788
 1111    HB   THR  24           HB       THR  24  -6.927 -10.501  24.647
 1112    HG1  THR  24           HG1      THR  24  -7.534 -12.650  24.611
 1113   HG21  THR  24          HG21      THR  24  -9.264 -10.960  24.958
 1114   HG22  THR  24          HG22      THR  24  -9.148  -9.551  23.898
 1115   HG23  THR  24          HG23      THR  24  -9.544 -11.151  23.217
 1116    H    GLU  25           H        GLU  25  -5.979 -11.772  20.602
 1117    HA   GLU  25           HA       GLU  25  -3.354 -12.394  21.672
 1118    HB2  GLU  25           HB2      GLU  25  -4.499 -12.761  18.875
 1119    HB3  GLU  25           HB3      GLU  25  -2.955 -13.400  19.410
 1120    HG2  GLU  25           HG2      GLU  25  -5.681 -14.147  20.552
 1121    HG3  GLU  25           HG3      GLU  25  -4.745 -15.095  19.411
 1122    H    TYR  26           H        TYR  26  -1.484 -11.305  21.517
 1123    HA   TYR  26           HA       TYR  26  -1.367  -8.713  20.386
 1124    HB2  TYR  26           HB2      TYR  26  -0.132  -8.941  22.288
 1125    HB3  TYR  26           HB3      TYR  26   0.643 -10.418  21.751
 1126    HD1  TYR  26           HD1      TYR  26   2.667 -10.410  20.448
 1127    HD2  TYR  26           HD2      TYR  26   0.601  -6.725  21.312
 1128    HE1  TYR  26           HE1      TYR  26   4.657  -9.109  19.672
 1129    HE2  TYR  26           HE2      TYR  26   2.573  -5.431  20.526
 1130    HH   TYR  26           HH       TYR  26   4.714  -5.526  19.667
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -7.936   1.936   7.391
    2    H2   MET   1           H2       MET   1  -7.263   3.353   7.885
    3    H3   MET   1           H3       MET   1  -8.198   2.512   8.914
    4    HA   MET   1           HA       MET   1  -9.487   4.358   8.144
    5    HB2  MET   1           HB2      MET   1  -8.112   4.841   6.201
    6    HB3  MET   1           HB3      MET   1  -8.810   3.479   5.310
    7    HG2  MET   1           HG2      MET   1 -10.983   4.544   5.276
    8    HG3  MET   1           HG3      MET   1 -10.479   5.744   6.480
    9    HE1  MET   1           HE1      MET   1 -11.043   8.029   3.395
   10    HE2  MET   1           HE2      MET   1 -12.006   6.634   3.939
   11    HE3  MET   1           HE3      MET   1 -11.353   7.788   5.132
   12    HA   PRO   2           HA       PRO   2 -12.350   0.809   8.183
   13    HB2  PRO   2           HB2      PRO   2 -13.878   2.390  10.187
   14    HB3  PRO   2           HB3      PRO   2 -13.191   0.751  10.332
   15    HG2  PRO   2           HG2      PRO   2 -12.100   2.843  11.671
   16    HG3  PRO   2           HG3      PRO   2 -11.063   1.576  10.927
   17    HD2  PRO   2           HD2      PRO   2 -11.843   4.260   9.746
   18    HD3  PRO   2           HD3      PRO   2 -10.212   3.573   9.965
   19    H    SER   3           H        SER   3 -13.041   4.184   7.608
   20    HA   SER   3           HA       SER   3 -15.857   4.050   7.099
   21    HB2  SER   3           HB2      SER   3 -15.487   6.416   6.403
   22    HB3  SER   3           HB3      SER   3 -14.823   6.010   7.990
   23    HG   SER   3           HG       SER   3 -13.341   7.223   6.735
   24    H    GLU   4           H        GLU   4 -16.487   5.409   4.969
   25    HA   GLU   4           HA       GLU   4 -16.769   3.524   2.963
   26    HB2  GLU   4           HB2      GLU   4 -18.349   5.268   3.292
   27    HB3  GLU   4           HB3      GLU   4 -17.138   6.516   3.084
   28    HG2  GLU   4           HG2      GLU   4 -18.647   6.549   1.251
   29    HG3  GLU   4           HG3      GLU   4 -17.040   6.127   0.686
   30    H    LYS   5           H        LYS   5 -16.270   3.424   0.824
   31    HA   LYS   5           HA       LYS   5 -14.921   2.984  -0.914
   32    HB2  LYS   5           HB2      LYS   5 -14.829   5.372  -1.217
   33    HB3  LYS   5           HB3      LYS   5 -13.437   5.520  -0.157
   34    HG2  LYS   5           HG2      LYS   5 -12.023   4.313  -1.733
   35    HG3  LYS   5           HG3      LYS   5 -13.428   3.964  -2.771
   36    HD2  LYS   5           HD2      LYS   5 -13.759   6.403  -3.126
   37    HD3  LYS   5           HD3      LYS   5 -12.335   6.738  -2.115
   38    HE2  LYS   5           HE2      LYS   5 -10.902   5.473  -3.700
   39    HE3  LYS   5           HE3      LYS   5 -12.316   5.074  -4.681
   40    HZ1  LYS   5           HZ1      LYS   5 -11.288   7.838  -4.217
   41    HZ2  LYS   5           HZ2      LYS   5 -11.119   6.985  -5.598
   42    HZ3  LYS   5           HZ3      LYS   5 -12.598   7.471  -5.122
   43    H    THR   6           H        THR   6 -12.793   2.088  -1.583
   44    HA   THR   6           HA       THR   6 -12.055   0.256   0.477
   45    HB   THR   6           HB       THR   6 -11.082  -1.095  -0.994
   46    HG1  THR   6           HG1      THR   6 -10.000  -0.287  -2.896
   47   HG21  THR   6          HG21      THR   6 -13.334  -0.498  -1.976
   48   HG22  THR   6          HG22      THR   6 -12.492   0.642  -3.058
   49   HG23  THR   6          HG23      THR   6 -12.143  -1.091  -3.145
   50    H    PHE   7           H        PHE   7  -9.856  -0.447   1.092
   51    HA   PHE   7           HA       PHE   7  -8.316   1.696   2.197
   52    HB2  PHE   7           HB2      PHE   7  -8.364  -0.193   3.430
   53    HB3  PHE   7           HB3      PHE   7  -8.034  -1.255   2.075
   54    HD1  PHE   7           HD1      PHE   7  -6.017  -2.377   2.120
   55    HD2  PHE   7           HD2      PHE   7  -6.294   1.528   3.931
   56    HE1  PHE   7           HE1      PHE   7  -3.688  -2.586   2.943
   57    HE2  PHE   7           HE2      PHE   7  -3.965   1.306   4.765
   58    HZ   PHE   7           HZ       PHE   7  -2.651  -0.757   4.253
   59    H    LYS   8           H        LYS   8  -8.250   0.652  -1.039
   60    HA   LYS   8           HA       LYS   8  -5.507   1.274  -1.732
   61    HB2  LYS   8           HB2      LYS   8  -7.165   0.039  -3.142
   62    HB3  LYS   8           HB3      LYS   8  -8.071   1.542  -3.369
   63    HG2  LYS   8           HG2      LYS   8  -6.161   2.547  -4.559
   64    HG3  LYS   8           HG3      LYS   8  -5.183   1.101  -4.240
   65    HD2  LYS   8           HD2      LYS   8  -6.749  -0.263  -5.584
   66    HD3  LYS   8           HD3      LYS   8  -7.773   1.167  -5.852
   67    HE2  LYS   8           HE2      LYS   8  -5.861   2.310  -6.972
   68    HE3  LYS   8           HE3      LYS   8  -4.859   0.869  -6.738
   69    HZ1  LYS   8           HZ1      LYS   8  -6.431  -0.368  -8.154
   70    HZ2  LYS   8           HZ2      LYS   8  -7.359   0.968  -8.362
   71    HZ3  LYS   8           HZ3      LYS   8  -5.848   0.918  -8.969
   72    H    GLN   9           H        GLN   9  -8.236   3.386  -1.012
   73    HA   GLN   9           HA       GLN   9  -7.071   5.814  -2.019
   74    HB2  GLN   9           HB2      GLN   9  -8.827   6.918  -0.968
   75    HB3  GLN   9           HB3      GLN   9  -9.503   5.332  -1.347
   76    HG2  GLN   9           HG2      GLN   9  -8.893   4.687   1.098
   77    HG3  GLN   9           HG3      GLN   9  -8.613   6.402   1.363
   78   HE21  GLN   9          HE21      GLN   9 -12.348   5.154   1.750
   79   HE22  GLN   9          HE22      GLN   9 -10.951   4.083   1.745
   80    H    ARG  10           H        ARG  10  -6.086   3.907   0.685
   81    HA   ARG  10           HA       ARG  10  -4.343   6.148   1.689
   82    HB2  ARG  10           HB2      ARG  10  -5.244   3.635   3.143
   83    HB3  ARG  10           HB3      ARG  10  -4.107   4.823   3.774
   84    HG2  ARG  10           HG2      ARG  10  -7.035   5.383   3.118
   85    HG3  ARG  10           HG3      ARG  10  -6.386   4.987   4.699
   86    HD2  ARG  10           HD2      ARG  10  -6.690   7.321   4.715
   87    HD3  ARG  10           HD3      ARG  10  -4.944   7.027   4.612
   88    HE   ARG  10           HE       ARG  10  -6.251   7.408   2.009
   89   HH11  ARG  10          HH11      ARG  10  -4.411  10.573   3.583
   90   HH12  ARG  10          HH12      ARG  10  -4.886   9.276   4.640
   91   HH21  ARG  10          HH21      ARG  10  -5.533   8.972   0.722
   92   HH22  ARG  10          HH22      ARG  10  -4.818  10.426   1.389
   93    H    ARG  11           H        ARG  11  -4.207   2.566   1.172
   94    HA   ARG  11           HA       ARG  11  -1.323   2.968   0.366
   95    HB2  ARG  11           HB2      ARG  11  -2.409   0.606   1.923
   96    HB3  ARG  11           HB3      ARG  11  -0.730   0.904   1.503
   97    HG2  ARG  11           HG2      ARG  11  -2.394   2.617   3.404
   98    HG3  ARG  11           HG3      ARG  11  -1.315   1.335   3.903
   99    HD2  ARG  11           HD2      ARG  11  -0.330   3.750   2.337
  100    HD3  ARG  11           HD3      ARG  11  -0.462   3.731   4.101
  101    HE   ARG  11           HE       ARG  11   1.001   1.431   3.473
  102   HH11  ARG  11          HH11      ARG  11   1.562   4.899   3.172
  103   HH12  ARG  11          HH12      ARG  11   3.290   4.683   3.190
  104   HH21  ARG  11          HH21      ARG  11   3.154   1.266   3.251
  105   HH22  ARG  11          HH22      ARG  11   4.187   2.654   3.107
  106    H    THR  12           H        THR  12  -1.044   2.517  -1.640
  107    HA   THR  12           HA       THR  12  -2.604   0.633  -3.290
  108    HB   THR  12           HB       THR  12  -0.789   1.263  -4.968
  109    HG1  THR  12           HG1      THR  12   0.785   2.599  -4.378
  110   HG21  THR  12          HG21      THR  12  -1.457   3.596  -5.263
  111   HG22  THR  12          HG22      THR  12  -2.868   2.614  -4.834
  112   HG23  THR  12          HG23      THR  12  -2.112   3.655  -3.614
  113    H    PHE  13           H        PHE  13  -1.211  -1.071  -4.565
  114    HA   PHE  13           HA       PHE  13  -0.358  -3.019  -2.849
  115    HB2  PHE  13           HB2      PHE  13  -1.000  -3.728  -4.905
  116    HB3  PHE  13           HB3      PHE  13   0.059  -2.623  -5.758
  117    HD1  PHE  13           HD1      PHE  13   2.423  -3.104  -6.151
  118    HD2  PHE  13           HD2      PHE  13  -0.134  -5.934  -4.140
  119    HE1  PHE  13           HE1      PHE  13   4.085  -4.896  -6.570
  120    HE2  PHE  13           HE2      PHE  13   1.521  -7.741  -4.598
  121    HZ   PHE  13           HZ       PHE  13   3.623  -7.218  -5.810
  122    H    GLU  14           H        GLU  14   2.087  -0.926  -4.453
  123    HA   GLU  14           HA       GLU  14   4.325  -2.139  -3.137
  124    HB2  GLU  14           HB2      GLU  14   4.025   0.740  -4.112
  125    HB3  GLU  14           HB3      GLU  14   5.515  -0.098  -3.728
  126    HG2  GLU  14           HG2      GLU  14   5.516  -0.259  -6.004
  127    HG3  GLU  14           HG3      GLU  14   4.846  -1.818  -5.549
  128    H    GLN  15           H        GLN  15   2.163   0.486  -2.115
  129    HA   GLN  15           HA       GLN  15   3.639   1.155   0.312
  130    HB2  GLN  15           HB2      GLN  15   0.860   1.801  -0.742
  131    HB3  GLN  15           HB3      GLN  15   1.450   2.370   0.802
  132    HG2  GLN  15           HG2      GLN  15   3.398   3.457  -0.348
  133    HG3  GLN  15           HG3      GLN  15   2.701   2.985  -1.903
  134   HE21  GLN  15          HE21      GLN  15   0.044   5.437  -1.691
  135   HE22  GLN  15          HE22      GLN  15   0.538   3.936  -2.474
  136    H    ARG  16           H        ARG  16   1.076  -1.181  -0.467
  137    HA   ARG  16           HA       ARG  16   0.684  -2.006   2.325
  138    HB2  ARG  16           HB2      ARG  16   0.040  -3.442  -0.278
  139    HB3  ARG  16           HB3      ARG  16  -0.411  -3.997   1.338
  140    HG2  ARG  16           HG2      ARG  16  -1.698  -1.871   1.688
  141    HG3  ARG  16           HG3      ARG  16  -1.327  -1.407   0.025
  142    HD2  ARG  16           HD2      ARG  16  -2.285  -3.676  -0.665
  143    HD3  ARG  16           HD3      ARG  16  -2.951  -3.775   0.984
  144    HE   ARG  16           HE       ARG  16  -3.737  -1.258  -0.012
  145   HH11  ARG  16          HH11      ARG  16  -4.143  -4.501  -1.408
  146   HH12  ARG  16          HH12      ARG  16  -5.801  -4.084  -1.886
  147   HH21  ARG  16          HH21      ARG  16  -5.843  -0.941  -0.849
  148   HH22  ARG  16          HH22      ARG  16  -6.641  -2.330  -1.617
  149    H    VAL  17           H        VAL  17   2.850  -3.108  -0.296
  150    HA   VAL  17           HA       VAL  17   3.985  -5.322   1.140
  151    HB   VAL  17           HB       VAL  17   5.154  -3.508  -1.000
  152   HG11  VAL  17          HG11      VAL  17   6.329  -6.082   0.137
  153   HG12  VAL  17          HG12      VAL  17   6.865  -5.282  -1.352
  154   HG13  VAL  17          HG13      VAL  17   7.069  -4.463   0.195
  155   HG21  VAL  17          HG21      VAL  17   4.708  -5.383  -2.478
  156   HG22  VAL  17          HG22      VAL  17   4.186  -6.397  -1.110
  157   HG23  VAL  17          HG23      VAL  17   3.213  -5.018  -1.619
  158    H    GLU  18           H        GLU  18   4.877  -1.802   1.240
  159    HA   GLU  18           HA       GLU  18   6.941  -2.038   3.214
  160    HB2  GLU  18           HB2      GLU  18   4.886   0.137   2.745
  161    HB3  GLU  18           HB3      GLU  18   6.206   0.277   3.911
  162    HG2  GLU  18           HG2      GLU  18   7.853   0.087   2.121
  163    HG3  GLU  18           HG3      GLU  18   6.569  -0.122   0.922
  164    H    ASP  19           H        ASP  19   3.410  -1.507   3.723
  165    HA   ASP  19           HA       ASP  19   3.406  -1.595   6.555
  166    HB2  ASP  19           HB2      ASP  19   1.615  -0.629   5.450
  167    HB3  ASP  19           HB3      ASP  19   1.352  -2.037   4.436
  168    H    VAL  20           H        VAL  20   2.734  -4.307   4.368
  169    HA   VAL  20           HA       VAL  20   2.598  -6.404   6.275
  170    HB   VAL  20           HB       VAL  20   3.494  -6.302   3.364
  171   HG11  VAL  20          HG11      VAL  20   2.955  -8.803   5.017
  172   HG12  VAL  20          HG12      VAL  20   3.135  -8.731   3.248
  173   HG13  VAL  20          HG13      VAL  20   4.503  -8.335   4.280
  174   HG21  VAL  20          HG21      VAL  20   0.920  -7.339   4.641
  175   HG22  VAL  20          HG22      VAL  20   1.085  -5.763   3.859
  176   HG23  VAL  20          HG23      VAL  20   1.275  -7.233   2.902
  177    H    ARG  21           H        ARG  21   5.534  -5.076   4.590
  178    HA   ARG  21           HA       ARG  21   7.333  -7.011   5.711
  179    HB2  ARG  21           HB2      ARG  21   7.861  -5.700   3.712
  180    HB3  ARG  21           HB3      ARG  21   7.880  -4.201   4.650
  181    HG2  ARG  21           HG2      ARG  21   9.827  -5.017   5.950
  182    HG3  ARG  21           HG3      ARG  21   9.740  -6.578   5.115
  183    HD2  ARG  21           HD2      ARG  21  11.512  -5.272   4.132
  184    HD3  ARG  21           HD3      ARG  21  10.212  -5.443   2.960
  185    HE   ARG  21           HE       ARG  21  10.737  -2.991   4.639
  186   HH11  ARG  21          HH11      ARG  21  10.573  -1.009   3.678
  187   HH12  ARG  21          HH12      ARG  21  10.170  -0.882   1.997
  188   HH21  ARG  21          HH21      ARG  21   9.854  -4.261   1.496
  189   HH22  ARG  21          HH22      ARG  21   9.759  -2.679   0.783
  190    H    LEU  22           H        LEU  22   6.765  -3.599   6.799
  191    HA   LEU  22           HA       LEU  22   8.382  -3.794   9.132
  192    HB2  LEU  22           HB2      LEU  22   6.040  -2.027   8.284
  193    HB3  LEU  22           HB3      LEU  22   6.659  -1.971   9.929
  194    HG   LEU  22           HG       LEU  22   8.988  -1.675   8.908
  195   HD11  LEU  22          HD11      LEU  22   8.466  -2.098   6.530
  196   HD12  LEU  22          HD12      LEU  22   7.372  -0.695   6.531
  197   HD13  LEU  22          HD13      LEU  22   9.113  -0.473   6.781
  198   HD21  LEU  22          HD21      LEU  22   7.793   0.085  10.151
  199   HD22  LEU  22          HD22      LEU  22   8.679   0.783   8.786
  200   HD23  LEU  22          HD23      LEU  22   6.919   0.551   8.674
  201    H    ILE  23           H        ILE  23   4.901  -4.556   8.719
  202    HA   ILE  23           HA       ILE  23   4.424  -5.300  11.442
  203    HB   ILE  23           HB       ILE  23   3.137  -5.978   8.782
  204   HG12  ILE  23          HG12      ILE  23   2.673  -3.739   9.534
  205   HG13  ILE  23          HG13      ILE  23   1.224  -4.702   9.710
  206   HG21  ILE  23          HG21      ILE  23   1.289  -7.065   9.906
  207   HG22  ILE  23          HG22      ILE  23   2.764  -7.988  10.064
  208   HG23  ILE  23          HG23      ILE  23   2.193  -7.047  11.454
  209   HD11  ILE  23          HD11      ILE  23   3.067  -3.670  11.894
  210   HD12  ILE  23          HD12      ILE  23   1.408  -3.208  11.569
  211   HD13  ILE  23          HD13      ILE  23   1.741  -4.828  12.205
  212    H    ARG  24           H        ARG  24   5.427  -7.412   8.686
  213    HA   ARG  24           HA       ARG  24   5.444  -9.785  10.300
  214    HB2  ARG  24           HB2      ARG  24   5.278  -9.782   7.835
  215    HB3  ARG  24           HB3      ARG  24   6.904  -9.125   7.706
  216    HG2  ARG  24           HG2      ARG  24   6.972 -11.481   7.225
  217    HG3  ARG  24           HG3      ARG  24   7.828 -11.199   8.733
  218    HD2  ARG  24           HD2      ARG  24   5.784 -11.969   9.991
  219    HD3  ARG  24           HD3      ARG  24   4.992 -12.286   8.434
  220    HE   ARG  24           HE       ARG  24   7.592 -13.583   8.673
  221   HH11  ARG  24          HH11      ARG  24   4.229 -14.089   9.667
  222   HH12  ARG  24          HH12      ARG  24   4.460 -15.813   9.714
  223   HH21  ARG  24          HH21      ARG  24   7.747 -15.779   8.741
  224   HH22  ARG  24          HH22      ARG  24   6.376 -16.739   9.197
  225    H    GLU  25           H        GLU  25   8.015  -7.417   9.640
  226    HA   GLU  25           HA       GLU  25  10.129  -8.805  10.975
  227    HB2  GLU  25           HB2      GLU  25   9.599  -5.860  10.473
  228    HB3  GLU  25           HB3      GLU  25  11.043  -6.411  11.299
  229    HG2  GLU  25           HG2      GLU  25  10.224  -7.324   8.505
  230    HG3  GLU  25           HG3      GLU  25  11.318  -5.987   8.840
  231    H    GLN  26           H        GLN  26   7.675  -6.531  12.398
  232    HA   GLN  26           HA       GLN  26   8.803  -6.998  15.070
  233    HB2  GLN  26           HB2      GLN  26   7.028  -5.661  15.936
  234    HB3  GLN  26           HB3      GLN  26   7.831  -4.842  14.606
  235    HG2  GLN  26           HG2      GLN  26   5.961  -5.160  13.146
  236    HG3  GLN  26           HG3      GLN  26   5.222  -6.355  14.210
  237   HE21  GLN  26          HE21      GLN  26   3.133  -3.495  14.873
  238   HE22  GLN  26          HE22      GLN  26   3.287  -4.925  13.882
  239    H    HIS  27           H        HIS  27   6.283  -8.560  13.175
  240    HA   HIS  27           HA       HIS  27   5.722 -10.420  15.469
  241    HB2  HIS  27           HB2      HIS  27   3.683  -9.266  13.535
  242    HB3  HIS  27           HB3      HIS  27   3.355 -10.444  14.807
  243    HD1  HIS  27           HD1      HIS  27   4.938  -8.875  17.217
  244    HD2  HIS  27           HD2      HIS  27   2.064  -7.426  14.476
  245    HE1  HIS  27           HE1      HIS  27   3.738  -6.925  18.384
  246    HE2  HIS  27           HE2      HIS  27   2.002  -6.029  16.706
  247    HA   PRO  28           HA       PRO  28   6.886 -13.058  11.822
  248    HB2  PRO  28           HB2      PRO  28   8.579 -14.769  13.150
  249    HB3  PRO  28           HB3      PRO  28   9.080 -13.198  12.457
  250    HG2  PRO  28           HG2      PRO  28   8.270 -13.784  15.327
  251    HG3  PRO  28           HG3      PRO  28   9.745 -12.942  14.745
  252    HD2  PRO  28           HD2      PRO  28   7.586 -11.554  15.557
  253    HD3  PRO  28           HD3      PRO  28   8.502 -11.018  14.119
  254    H    THR  29           H        THR  29   5.437 -13.616  14.964
  255    HA   THR  29           HA       THR  29   4.473 -16.293  14.378
  256    HB   THR  29           HB       THR  29   3.394 -16.279  16.430
  257    HG1  THR  29           HG1      THR  29   3.041 -14.362  17.599
  258   HG21  THR  29          HG21      THR  29   5.737 -14.398  16.961
  259   HG22  THR  29          HG22      THR  29   5.035 -15.616  18.042
  260   HG23  THR  29          HG23      THR  29   5.928 -16.133  16.605
  261    H    LYS  30           H        LYS  30   3.466 -13.407  13.014
  262    HA   LYS  30           HA       LYS  30   0.648 -14.384  12.710
  263    HB2  LYS  30           HB2      LYS  30   1.633 -11.505  12.864
  264    HB3  LYS  30           HB3      LYS  30  -0.036 -12.017  12.558
  265    HG2  LYS  30           HG2      LYS  30  -0.079 -13.172  14.763
  266    HG3  LYS  30           HG3      LYS  30   1.561 -12.592  15.091
  267    HD2  LYS  30           HD2      LYS  30   0.789 -10.267  15.095
  268    HD3  LYS  30           HD3      LYS  30  -0.815 -10.764  14.548
  269    HE2  LYS  30           HE2      LYS  30  -0.911 -10.276  16.915
  270    HE3  LYS  30           HE3      LYS  30  -1.216 -11.990  16.644
  271    HZ1  LYS  30           HZ1      LYS  30   1.356 -10.824  17.631
  272    HZ2  LYS  30           HZ2      LYS  30   0.264 -11.655  18.518
  273    HZ3  LYS  30           HZ3      LYS  30   1.113 -12.431  17.357
  274    H    ILE  31           H        ILE  31  -0.491 -13.893  10.892
  275    HA   ILE  31           HA       ILE  31   1.041 -13.655   8.320
  276    HB   ILE  31           HB       ILE  31  -1.674 -14.889   8.929
  277   HG12  ILE  31          HG12      ILE  31   0.032 -16.265   9.947
  278   HG13  ILE  31          HG13      ILE  31  -0.674 -17.063   8.552
  279   HG21  ILE  31          HG21      ILE  31  -0.060 -14.887   6.338
  280   HG22  ILE  31          HG22      ILE  31  -1.543 -15.814   6.644
  281   HG23  ILE  31          HG23      ILE  31  -1.601 -14.057   6.634
  282   HD11  ILE  31          HD11      ILE  31   1.742 -17.447   8.660
  283   HD12  ILE  31          HD12      ILE  31   1.334 -16.547   7.192
  284   HD13  ILE  31          HD13      ILE  31   2.057 -15.706   8.585
  285    HA   PRO  32           HA       PRO  32  -1.391  -9.786   8.079
  286    HB2  PRO  32           HB2      PRO  32   0.507  -9.391   5.773
  287    HB3  PRO  32           HB3      PRO  32  -0.027  -8.211   7.010
  288    HG2  PRO  32           HG2      PRO  32   2.428  -9.328   7.224
  289    HG3  PRO  32           HG3      PRO  32   1.371  -9.240   8.674
  290    HD2  PRO  32           HD2      PRO  32   1.745 -11.601   6.810
  291    HD3  PRO  32           HD3      PRO  32   1.889 -11.542   8.588
  292    H    VAL  33           H        VAL  33  -3.313  -9.703   7.059
  293    HA   VAL  33           HA       VAL  33  -3.584 -10.827   4.327
  294    HB   VAL  33           HB       VAL  33  -5.789 -11.057   6.340
  295   HG11  VAL  33          HG11      VAL  33  -5.171 -12.577   3.777
  296   HG12  VAL  33          HG12      VAL  33  -6.561 -12.863   4.838
  297   HG13  VAL  33          HG13      VAL  33  -6.423 -11.335   3.983
  298   HG21  VAL  33          HG21      VAL  33  -3.649 -13.146   5.855
  299   HG22  VAL  33          HG22      VAL  33  -4.006 -12.312   7.377
  300   HG23  VAL  33          HG23      VAL  33  -5.190 -13.434   6.707
  301    H    ILE  34           H        ILE  34  -4.640  -9.627   2.835
  302    HA   ILE  34           HA       ILE  34  -6.068  -7.146   3.762
  303    HB   ILE  34           HB       ILE  34  -5.264  -7.862   0.942
  304   HG12  ILE  34          HG12      ILE  34  -3.172  -7.706   2.115
  305   HG13  ILE  34          HG13      ILE  34  -3.398  -6.267   1.150
  306   HG21  ILE  34          HG21      ILE  34  -6.177  -5.260   2.258
  307   HG22  ILE  34          HG22      ILE  34  -5.568  -5.404   0.601
  308   HG23  ILE  34          HG23      ILE  34  -7.057  -6.225   1.055
  309   HD11  ILE  34          HD11      ILE  34  -2.429  -5.674   3.292
  310   HD12  ILE  34          HD12      ILE  34  -4.057  -4.986   3.193
  311   HD13  ILE  34          HD13      ILE  34  -3.755  -6.439   4.172
  312    H    ILE  35           H        ILE  35  -8.269  -6.860   3.296
  313    HA   ILE  35           HA       ILE  35  -9.673  -9.056   1.884
  314    HB   ILE  35           HB       ILE  35 -10.068  -9.578   4.160
  315   HG12  ILE  35          HG12      ILE  35 -12.547  -8.238   2.949
  316   HG13  ILE  35          HG13      ILE  35 -11.934  -9.846   2.552
  317   HG21  ILE  35          HG21      ILE  35  -9.643  -7.350   5.191
  318   HG22  ILE  35          HG22      ILE  35 -11.233  -6.788   4.589
  319   HG23  ILE  35          HG23      ILE  35 -11.109  -8.082   5.787
  320   HD11  ILE  35          HD11      ILE  35 -13.063  -8.972   5.248
  321   HD12  ILE  35          HD12      ILE  35 -13.814 -10.032   4.076
  322   HD13  ILE  35          HD13      ILE  35 -12.344 -10.569   4.905
  323    H    GLU  36           H        GLU  36 -10.598  -8.316   0.118
  324    HA   GLU  36           HA       GLU  36 -11.667  -5.495   0.098
  325    HB2  GLU  36           HB2      GLU  36 -10.226  -6.963  -2.141
  326    HB3  GLU  36           HB3      GLU  36 -11.127  -5.449  -2.323
  327    HG2  GLU  36           HG2      GLU  36  -9.638  -4.402  -0.594
  328    HG3  GLU  36           HG3      GLU  36  -8.662  -5.873  -0.596
  329    H    ARG  37           H        ARG  37 -13.755  -5.251  -0.476
  330    HA   ARG  37           HA       ARG  37 -15.449  -7.536  -1.009
  331    HB2  ARG  37           HB2      ARG  37 -16.246  -5.554   0.145
  332    HB3  ARG  37           HB3      ARG  37 -15.926  -4.538  -1.264
  333    HG2  ARG  37           HG2      ARG  37 -17.700  -5.622  -2.537
  334    HG3  ARG  37           HG3      ARG  37 -17.873  -6.878  -1.301
  335    HD2  ARG  37           HD2      ARG  37 -19.690  -5.325  -1.086
  336    HD3  ARG  37           HD3      ARG  37 -18.641  -5.195   0.329
  337    HE   ARG  37           HE       ARG  37 -17.762  -3.220  -1.511
  338   HH11  ARG  37          HH11      ARG  37 -18.361  -1.060  -1.397
  339   HH12  ARG  37          HH12      ARG  37 -19.784  -0.611  -0.522
  340   HH21  ARG  37          HH21      ARG  37 -20.696  -3.813   0.333
  341   HH22  ARG  37          HH22      ARG  37 -21.113  -2.120   0.365
  342    H    TYR  38           H        TYR  38 -16.292  -8.327  -2.886
  343    HA   TYR  38           HA       TYR  38 -14.649  -8.256  -5.118
  344    HB2  TYR  38           HB2      TYR  38 -15.741 -10.223  -4.801
  345    HB3  TYR  38           HB3      TYR  38 -17.303  -9.465  -4.592
  346    HD1  TYR  38           HD1      TYR  38 -18.858  -9.447  -6.329
  347    HD2  TYR  38           HD2      TYR  38 -14.695 -10.157  -7.218
  348    HE1  TYR  38           HE1      TYR  38 -19.453  -9.965  -8.694
  349    HE2  TYR  38           HE2      TYR  38 -15.285 -10.636  -9.590
  350    HH   TYR  38           HH       TYR  38 -18.673 -10.641 -10.769
  351    H    LYS  39           H        LYS  39 -14.606  -7.611  -7.211
  352    HA   LYS  39           HA       LYS  39 -15.242  -4.865  -7.548
  353    HB2  LYS  39           HB2      LYS  39 -14.380  -6.955  -9.595
  354    HB3  LYS  39           HB3      LYS  39 -14.457  -5.217  -9.906
  355    HG2  LYS  39           HG2      LYS  39 -12.816  -4.790  -8.108
  356    HG3  LYS  39           HG3      LYS  39 -12.693  -6.534  -7.798
  357    HD2  LYS  39           HD2      LYS  39 -11.925  -6.896 -10.135
  358    HD3  LYS  39           HD3      LYS  39 -12.022  -5.145 -10.430
  359    HE2  LYS  39           HE2      LYS  39 -10.352  -4.745  -8.632
  360    HE3  LYS  39           HE3      LYS  39 -10.254  -6.486  -8.330
  361    HZ1  LYS  39           HZ1      LYS  39  -8.453  -5.740  -9.786
  362    HZ2  LYS  39           HZ2      LYS  39  -9.416  -6.763 -10.618
  363    HZ3  LYS  39           HZ3      LYS  39  -9.504  -5.151 -10.888
  364    H    GLY  40           H        GLY  40 -16.813  -7.671  -9.074
  365    HA2  GLY  40           HA2      GLY  40 -18.499  -6.054 -10.775
  366    HA3  GLY  40           HA3      GLY  40 -18.560  -7.800 -10.576
  367    H    GLU  41           H        GLU  41 -19.008  -7.160  -7.502
  368    HA   GLU  41           HA       GLU  41 -21.782  -6.152  -7.561
  369    HB2  GLU  41           HB2      GLU  41 -22.024  -8.515  -8.201
  370    HB3  GLU  41           HB3      GLU  41 -21.107  -9.020  -6.784
  371    HG2  GLU  41           HG2      GLU  41 -23.498  -9.351  -6.442
  372    HG3  GLU  41           HG3      GLU  41 -22.860  -8.179  -5.294
  373    H    LYS  42           H        LYS  42 -21.867  -4.742  -5.969
  374    HA   LYS  42           HA       LYS  42 -20.101  -4.923  -3.603
  375    HB2  LYS  42           HB2      LYS  42 -21.966  -2.684  -4.475
  376    HB3  LYS  42           HB3      LYS  42 -20.713  -2.582  -3.253
  377    HG2  LYS  42           HG2      LYS  42 -20.339  -2.821  -6.257
  378    HG3  LYS  42           HG3      LYS  42 -19.961  -1.455  -5.206
  379    HD2  LYS  42           HD2      LYS  42 -18.292  -3.064  -4.024
  380    HD3  LYS  42           HD3      LYS  42 -18.497  -4.108  -5.434
  381    HE2  LYS  42           HE2      LYS  42 -17.461  -1.227  -5.394
  382    HE3  LYS  42           HE3      LYS  42 -16.488  -2.669  -5.618
  383    HZ1  LYS  42           HZ1      LYS  42 -16.977  -1.605  -7.744
  384    HZ2  LYS  42           HZ2      LYS  42 -17.690  -3.075  -7.742
  385    HZ3  LYS  42           HZ3      LYS  42 -18.583  -1.707  -7.519
  386    H    GLN  43           H        GLN  43 -22.561  -6.654  -3.883
  387    HA   GLN  43           HA       GLN  43 -24.754  -5.768  -2.462
  388    HB2  GLN  43           HB2      GLN  43 -24.683  -7.751  -3.866
  389    HB3  GLN  43           HB3      GLN  43 -23.646  -8.588  -2.704
  390    HG2  GLN  43           HG2      GLN  43 -25.499  -8.575  -1.043
  391    HG3  GLN  43           HG3      GLN  43 -26.496  -7.650  -2.168
  392   HE21  GLN  43          HE21      GLN  43 -27.800 -10.915  -2.902
  393   HE22  GLN  43          HE22      GLN  43 -28.091  -9.439  -1.995
  394    H    LEU  44           H        LEU  44 -22.009  -7.569  -0.965
  395    HA   LEU  44           HA       LEU  44 -23.349  -7.591   1.629
  396    HB2  LEU  44           HB2      LEU  44 -20.543  -8.499   0.884
  397    HB3  LEU  44           HB3      LEU  44 -21.396  -8.858   2.379
  398    HG   LEU  44           HG       LEU  44 -22.127  -9.891  -0.382
  399   HD11  LEU  44          HD11      LEU  44 -20.164 -10.941   0.767
  400   HD12  LEU  44          HD12      LEU  44 -21.229 -11.348   2.134
  401   HD13  LEU  44          HD13      LEU  44 -21.528 -12.050   0.540
  402   HD21  LEU  44          HD21      LEU  44 -23.507 -10.354   2.303
  403   HD22  LEU  44          HD22      LEU  44 -24.213  -9.556   0.874
  404   HD23  LEU  44          HD23      LEU  44 -23.822 -11.279   0.819
  405    HA   PRO  45           HA       PRO  45 -21.800  -3.849   3.244
  406    HB2  PRO  45           HB2      PRO  45 -21.775  -4.240   5.957
  407    HB3  PRO  45           HB3      PRO  45 -23.275  -4.168   4.988
  408    HG2  PRO  45           HG2      PRO  45 -21.776  -6.648   5.898
  409    HG3  PRO  45           HG3      PRO  45 -23.528  -6.297   6.038
  410    HD2  PRO  45           HD2      PRO  45 -22.550  -7.799   4.007
  411    HD3  PRO  45           HD3      PRO  45 -23.881  -6.633   3.736
  412    H    VAL  46           H        VAL  46 -19.767  -3.046   3.026
  413    HA   VAL  46           HA       VAL  46 -17.450  -4.535   4.038
  414    HB   VAL  46           HB       VAL  46 -17.552  -3.570   1.756
  415   HG11  VAL  46          HG11      VAL  46 -16.882  -1.324   1.308
  416   HG12  VAL  46          HG12      VAL  46 -18.314  -1.255   2.348
  417   HG13  VAL  46          HG13      VAL  46 -16.696  -0.942   3.019
  418   HG21  VAL  46          HG21      VAL  46 -15.171  -3.113   1.654
  419   HG22  VAL  46          HG22      VAL  46 -15.105  -2.883   3.410
  420   HG23  VAL  46          HG23      VAL  46 -15.500  -4.478   2.735
  421    H    LEU  47           H        LEU  47 -18.944  -3.944   6.116
  422    HA   LEU  47           HA       LEU  47 -18.522  -1.411   7.347
  423    HB2  LEU  47           HB2      LEU  47 -20.437  -2.841   7.842
  424    HB3  LEU  47           HB3      LEU  47 -19.377  -4.109   8.449
  425    HG   LEU  47           HG       LEU  47 -18.674  -2.610  10.338
  426   HD11  LEU  47          HD11      LEU  47 -20.082  -0.629  10.830
  427   HD12  LEU  47          HD12      LEU  47 -19.158  -0.399   9.345
  428   HD13  LEU  47          HD13      LEU  47 -20.885  -0.804   9.257
  429   HD21  LEU  47          HD21      LEU  47 -20.451  -4.276  10.622
  430   HD22  LEU  47          HD22      LEU  47 -20.808  -2.818  11.565
  431   HD23  LEU  47          HD23      LEU  47 -21.660  -3.102  10.030
  432    H    ASP  48           H        ASP  48 -16.671  -0.614   8.067
  433    HA   ASP  48           HA       ASP  48 -14.810  -0.254   9.161
  434    HB2  ASP  48           HB2      ASP  48 -16.039  -2.290  10.991
  435    HB3  ASP  48           HB3      ASP  48 -14.544  -1.466  11.391
  436    H    LYS  49           H        LYS  49 -14.789  -3.470   7.972
  437    HA   LYS  49           HA       LYS  49 -11.859  -3.702   8.549
  438    HB2  LYS  49           HB2      LYS  49 -14.008  -5.824   8.217
  439    HB3  LYS  49           HB3      LYS  49 -12.275  -6.164   8.212
  440    HG2  LYS  49           HG2      LYS  49 -12.722  -6.599  10.395
  441    HG3  LYS  49           HG3      LYS  49 -12.222  -4.918  10.509
  442    HD2  LYS  49           HD2      LYS  49 -14.710  -4.298  10.506
  443    HD3  LYS  49           HD3      LYS  49 -15.081  -6.036  10.589
  444    HE2  LYS  49           HE2      LYS  49 -13.984  -6.265  12.710
  445    HE3  LYS  49           HE3      LYS  49 -13.225  -4.677  12.592
  446    HZ1  LYS  49           HZ1      LYS  49 -15.190  -4.714  14.105
  447    HZ2  LYS  49           HZ2      LYS  49 -15.371  -3.616  12.912
  448    HZ3  LYS  49           HZ3      LYS  49 -16.188  -5.040  12.833
  449    H    THR  50           H        THR  50 -10.489  -3.575   7.055
  450    HA   THR  50           HA       THR  50 -10.984  -4.413   4.212
  451    HB   THR  50           HB       THR  50  -9.634  -2.488   3.496
  452    HG1  THR  50           HG1      THR  50  -9.222  -0.895   5.205
  453   HG21  THR  50          HG21      THR  50 -11.170  -0.681   3.917
  454   HG22  THR  50          HG22      THR  50 -12.135  -2.164   3.780
  455   HG23  THR  50          HG23      THR  50 -11.801  -1.461   5.383
  456    H    LYS  51           H        LYS  51  -8.939  -4.656   6.973
  457    HA   LYS  51           HA       LYS  51  -7.383  -6.739   5.686
  458    HB2  LYS  51           HB2      LYS  51  -5.146  -5.742   6.329
  459    HB3  LYS  51           HB3      LYS  51  -5.933  -5.011   4.931
  460    HG2  LYS  51           HG2      LYS  51  -6.532  -3.057   6.124
  461    HG3  LYS  51           HG3      LYS  51  -6.133  -3.787   7.698
  462    HD2  LYS  51           HD2      LYS  51  -3.766  -3.825   7.149
  463    HD3  LYS  51           HD3      LYS  51  -4.077  -3.251   5.494
  464    HE2  LYS  51           HE2      LYS  51  -4.733  -1.112   6.193
  465    HE3  LYS  51           HE3      LYS  51  -5.089  -1.637   7.836
  466    HZ1  LYS  51           HZ1      LYS  51  -3.040  -0.408   7.851
  467    HZ2  LYS  51           HZ2      LYS  51  -2.713  -1.952   8.220
  468    HZ3  LYS  51           HZ3      LYS  51  -2.309  -1.427   6.737
  469    H    PHE  52           H        PHE  52  -6.240  -8.053   7.148
  470    HA   PHE  52           HA       PHE  52  -6.348  -7.420   9.965
  471    HB2  PHE  52           HB2      PHE  52  -7.331  -9.710  10.560
  472    HB3  PHE  52           HB3      PHE  52  -8.355  -8.336  10.186
  473    HD1  PHE  52           HD1      PHE  52 -10.165  -8.657   8.727
  474    HD2  PHE  52           HD2      PHE  52  -6.752 -11.271   8.468
  475    HE1  PHE  52           HE1      PHE  52 -11.340 -10.045   7.042
  476    HE2  PHE  52           HE2      PHE  52  -7.916 -12.627   6.752
  477    HZ   PHE  52           HZ       PHE  52 -10.215 -12.017   6.029
  478    H    LEU  53           H        LEU  53  -4.880  -8.291  11.317
  479    HA   LEU  53           HA       LEU  53  -2.742 -10.007  10.104
  480    HB2  LEU  53           HB2      LEU  53  -2.911  -8.152  12.515
  481    HB3  LEU  53           HB3      LEU  53  -1.706  -9.412  12.447
  482    HG   LEU  53           HG       LEU  53  -0.568  -8.475  10.608
  483   HD11  LEU  53          HD11      LEU  53  -1.169  -6.363   9.486
  484   HD12  LEU  53          HD12      LEU  53  -2.354  -7.630   9.162
  485   HD13  LEU  53          HD13      LEU  53  -2.731  -6.347  10.328
  486   HD21  LEU  53          HD21      LEU  53  -0.057  -6.161  11.550
  487   HD22  LEU  53          HD22      LEU  53  -1.408  -6.370  12.658
  488   HD23  LEU  53          HD23      LEU  53  -0.029  -7.476  12.741
  489    H    VAL  54           H        VAL  54  -2.736 -12.129  10.652
  490    HA   VAL  54           HA       VAL  54  -4.584 -13.006  12.820
  491    HB   VAL  54           HB       VAL  54  -4.047 -14.621  10.356
  492   HG11  VAL  54          HG11      VAL  54  -5.059 -15.719  12.371
  493   HG12  VAL  54          HG12      VAL  54  -6.411 -14.570  12.290
  494   HG13  VAL  54          HG13      VAL  54  -6.136 -15.714  10.963
  495   HG21  VAL  54          HG21      VAL  54  -6.222 -13.821   9.457
  496   HG22  VAL  54          HG22      VAL  54  -6.263 -12.578  10.730
  497   HG23  VAL  54          HG23      VAL  54  -4.987 -12.563   9.487
  498    HA   PRO  55           HA       PRO  55  -0.928 -15.171  14.337
  499    HB2  PRO  55           HB2      PRO  55  -1.929 -16.311  16.604
  500    HB3  PRO  55           HB3      PRO  55  -1.607 -14.559  16.475
  501    HG2  PRO  55           HG2      PRO  55  -4.246 -15.989  16.110
  502    HG3  PRO  55           HG3      PRO  55  -3.909 -14.529  17.090
  503    HD2  PRO  55           HD2      PRO  55  -4.941 -14.411  14.555
  504    HD3  PRO  55           HD3      PRO  55  -3.827 -13.156  15.188
  505    H    ASP  56           H        ASP  56  -0.121 -17.245  14.247
  506    HA   ASP  56           HA       ASP  56  -1.135 -18.963  12.362
  507    HB2  ASP  56           HB2      ASP  56   1.114 -19.052  12.726
  508    HB3  ASP  56           HB3      ASP  56   0.953 -19.188  14.469
  509    H    HIS  57           H        HIS  57  -1.970 -19.178  15.745
  510    HA   HIS  57           HA       HIS  57  -3.045 -21.810  15.783
  511    HB2  HIS  57           HB2      HIS  57  -2.449 -20.444  17.761
  512    HB3  HIS  57           HB3      HIS  57  -3.772 -19.336  17.420
  513    HD1  HIS  57           HD1      HIS  57  -3.527 -23.200  18.041
  514    HD2  HIS  57           HD2      HIS  57  -5.749 -19.746  19.029
  515    HE1  HIS  57           HE1      HIS  57  -5.348 -23.956  19.702
  516    HE2  HIS  57           HE2      HIS  57  -6.702 -21.844  20.289
  517    H    VAL  58           H        VAL  58  -4.484 -18.911  14.407
  518    HA   VAL  58           HA       VAL  58  -7.288 -19.825  14.515
  519    HB   VAL  58           HB       VAL  58  -5.896 -17.637  12.960
  520   HG11  VAL  58          HG11      VAL  58  -7.876 -18.207  11.672
  521   HG12  VAL  58          HG12      VAL  58  -8.878 -18.232  13.148
  522   HG13  VAL  58          HG13      VAL  58  -8.187 -16.710  12.547
  523   HG21  VAL  58          HG21      VAL  58  -7.017 -16.128  14.553
  524   HG22  VAL  58          HG22      VAL  58  -7.785 -17.514  15.359
  525   HG23  VAL  58          HG23      VAL  58  -6.029 -17.298  15.436
  526    H    ASN  59           H        ASN  59  -8.321 -21.110  12.972
  527    HA   ASN  59           HA       ASN  59  -6.855 -21.769  10.455
  528    HB2  ASN  59           HB2      ASN  59  -8.285 -23.719  10.269
  529    HB3  ASN  59           HB3      ASN  59  -7.326 -23.742  11.749
  530   HD21  ASN  59          HD21      ASN  59 -10.511 -24.976  12.860
  531   HD22  ASN  59          HD22      ASN  59  -9.011 -25.495  12.083
  532    H    MET  60           H        MET  60  -8.316 -22.154   8.518
  533    HA   MET  60           HA       MET  60  -9.370 -19.621   7.848
  534    HB2  MET  60           HB2      MET  60  -8.489 -21.403   6.282
  535    HB3  MET  60           HB3      MET  60 -10.017 -22.244   6.459
  536    HG2  MET  60           HG2      MET  60 -10.145 -21.003   4.455
  537    HG3  MET  60           HG3      MET  60 -11.203 -20.197   5.611
  538    HE1  MET  60           HE1      MET  60 -10.005 -17.158   3.491
  539    HE2  MET  60           HE2      MET  60 -10.621 -18.756   3.032
  540    HE3  MET  60           HE3      MET  60 -11.368 -17.853   4.375
  541    H    SER  61           H        SER  61 -11.262 -22.581   8.748
  542    HA   SER  61           HA       SER  61 -13.802 -21.329   8.479
  543    HB2  SER  61           HB2      SER  61 -14.629 -23.194   9.882
  544    HB3  SER  61           HB3      SER  61 -13.594 -23.726   8.538
  545    HG   SER  61           HG       SER  61 -13.120 -24.729  10.621
  546    H    GLU  62           H        GLU  62 -11.624 -21.421  11.389
  547    HA   GLU  62           HA       GLU  62 -13.464 -19.956  13.045
  548    HB2  GLU  62           HB2      GLU  62 -11.578 -21.149  14.027
  549    HB3  GLU  62           HB3      GLU  62 -10.438 -20.127  13.144
  550    HG2  GLU  62           HG2      GLU  62 -10.509 -19.440  15.432
  551    HG3  GLU  62           HG3      GLU  62 -11.142 -18.157  14.420
  552    H    LEU  63           H        LEU  63 -10.914 -18.812  10.756
  553    HA   LEU  63           HA       LEU  63 -11.260 -16.035  11.286
  554    HB2  LEU  63           HB2      LEU  63  -9.372 -16.885   9.991
  555    HB3  LEU  63           HB3      LEU  63 -10.450 -17.481   8.738
  556    HG   LEU  63           HG       LEU  63 -11.149 -15.125   8.218
  557   HD11  LEU  63          HD11      LEU  63  -9.730 -13.281   9.039
  558   HD12  LEU  63          HD12      LEU  63 -10.595 -14.037  10.373
  559   HD13  LEU  63          HD13      LEU  63  -8.868 -14.401  10.118
  560   HD21  LEU  63          HD21      LEU  63  -9.399 -16.316   6.954
  561   HD22  LEU  63          HD22      LEU  63  -9.125 -14.576   7.014
  562   HD23  LEU  63          HD23      LEU  63  -8.156 -15.653   8.050
  563    H    ILE  64           H        ILE  64 -13.052 -18.165   9.011
  564    HA   ILE  64           HA       ILE  64 -14.931 -16.202   8.093
  565    HB   ILE  64           HB       ILE  64 -14.854 -19.195   8.250
  566   HG12  ILE  64          HG12      ILE  64 -15.768 -18.797   5.851
  567   HG13  ILE  64          HG13      ILE  64 -15.400 -17.100   6.111
  568   HG21  ILE  64          HG21      ILE  64 -17.094 -18.941   9.149
  569   HG22  ILE  64          HG22      ILE  64 -17.515 -17.777   7.861
  570   HG23  ILE  64          HG23      ILE  64 -17.183 -19.476   7.484
  571   HD11  ILE  64          HD11      ILE  64 -13.570 -18.295   4.947
  572   HD12  ILE  64          HD12      ILE  64 -13.002 -17.739   6.532
  573   HD13  ILE  64          HD13      ILE  64 -13.443 -19.446   6.296
  574    H    LYS  65           H        LYS  65 -15.053 -18.268  11.009
  575    HA   LYS  65           HA       LYS  65 -17.631 -17.446  11.865
  576    HB2  LYS  65           HB2      LYS  65 -16.543 -19.489  12.541
  577    HB3  LYS  65           HB3      LYS  65 -15.286 -18.604  13.405
  578    HG2  LYS  65           HG2      LYS  65 -16.853 -17.806  15.049
  579    HG3  LYS  65           HG3      LYS  65 -18.228 -18.442  14.127
  580    HD2  LYS  65           HD2      LYS  65 -17.899 -20.598  14.790
  581    HD3  LYS  65           HD3      LYS  65 -16.149 -20.491  14.747
  582    HE2  LYS  65           HE2      LYS  65 -17.880 -19.361  16.992
  583    HE3  LYS  65           HE3      LYS  65 -17.091 -20.940  17.003
  584    HZ1  LYS  65           HZ1      LYS  65 -15.619 -19.477  18.120
  585    HZ2  LYS  65           HZ2      LYS  65 -14.926 -19.710  16.643
  586    HZ3  LYS  65           HZ3      LYS  65 -15.701 -18.315  16.977
  587    H    ILE  66           H        ILE  66 -14.449 -16.075  12.935
  588    HA   ILE  66           HA       ILE  66 -15.758 -14.026  14.514
  589    HB   ILE  66           HB       ILE  66 -13.742 -14.098  15.294
  590   HG12  ILE  66          HG12      ILE  66 -14.044 -11.712  14.666
  591   HG13  ILE  66          HG13      ILE  66 -12.408 -12.244  14.983
  592   HG21  ILE  66          HG21      ILE  66 -11.566 -14.312  14.031
  593   HG22  ILE  66          HG22      ILE  66 -12.639 -15.701  14.056
  594   HG23  ILE  66          HG23      ILE  66 -12.550 -14.673  12.595
  595   HD11  ILE  66          HD11      ILE  66 -13.551 -11.445  12.308
  596   HD12  ILE  66          HD12      ILE  66 -12.179 -10.778  13.179
  597   HD13  ILE  66          HD13      ILE  66 -12.044 -12.369  12.430
  598    H    ILE  67           H        ILE  67 -14.656 -13.946  11.105
  599    HA   ILE  67           HA       ILE  67 -15.397 -11.184  10.776
  600    HB   ILE  67           HB       ILE  67 -14.868 -13.447   8.838
  601   HG12  ILE  67          HG12      ILE  67 -12.934 -12.616  10.149
  602   HG13  ILE  67          HG13      ILE  67 -12.760 -12.380   8.424
  603   HG21  ILE  67          HG21      ILE  67 -16.325 -11.958   7.587
  604   HG22  ILE  67          HG22      ILE  67 -15.433 -10.528   8.157
  605   HG23  ILE  67          HG23      ILE  67 -14.666 -11.678   7.047
  606   HD11  ILE  67          HD11      ILE  67 -11.914 -10.482   9.783
  607   HD12  ILE  67          HD12      ILE  67 -13.169  -9.982   8.635
  608   HD13  ILE  67          HD13      ILE  67 -13.545 -10.151  10.363
  609    H    ARG  68           H        ARG  68 -17.315 -14.139   9.985
  610    HA   ARG  68           HA       ARG  68 -19.569 -12.569   9.093
  611    HB2  ARG  68           HB2      ARG  68 -20.763 -14.586   8.855
  612    HB3  ARG  68           HB3      ARG  68 -19.101 -14.912   8.435
  613    HG2  ARG  68           HG2      ARG  68 -19.473 -16.772   9.660
  614    HG3  ARG  68           HG3      ARG  68 -18.946 -15.735  10.977
  615    HD2  ARG  68           HD2      ARG  68 -21.304 -15.280  11.573
  616    HD3  ARG  68           HD3      ARG  68 -21.844 -16.262  10.203
  617    HE   ARG  68           HE       ARG  68 -20.638 -18.200  11.286
  618   HH11  ARG  68          HH11      ARG  68 -22.162 -15.736  13.271
  619   HH12  ARG  68          HH12      ARG  68 -22.319 -16.818  14.625
  620   HH21  ARG  68          HH21      ARG  68 -20.901 -19.511  13.045
  621   HH22  ARG  68          HH22      ARG  68 -21.652 -18.900  14.486
  622    H    ARG  69           H        ARG  69 -18.607 -13.499  12.344
  623    HA   ARG  69           HA       ARG  69 -21.151 -12.613  13.531
  624    HB2  ARG  69           HB2      ARG  69 -19.724 -14.268  14.648
  625    HB3  ARG  69           HB3      ARG  69 -18.417 -13.081  14.800
  626    HG2  ARG  69           HG2      ARG  69 -19.813 -11.659  16.248
  627    HG3  ARG  69           HG3      ARG  69 -21.205 -12.727  15.995
  628    HD2  ARG  69           HD2      ARG  69 -19.978 -14.579  17.099
  629    HD3  ARG  69           HD3      ARG  69 -18.587 -13.502  17.358
  630    HE   ARG  69           HE       ARG  69 -20.917 -12.267  18.450
  631   HH11  ARG  69          HH11      ARG  69 -18.864 -15.006  19.211
  632   HH12  ARG  69          HH12      ARG  69 -19.253 -14.945  20.907
  633   HH21  ARG  69          HH21      ARG  69 -21.370 -12.242  20.624
  634   HH22  ARG  69          HH22      ARG  69 -20.636 -13.413  21.681
  635    H    ARG  70           H        ARG  70 -17.927 -11.074  13.060
  636    HA   ARG  70           HA       ARG  70 -18.767  -8.705  14.512
  637    HB2  ARG  70           HB2      ARG  70 -16.355  -9.865  14.111
  638    HB3  ARG  70           HB3      ARG  70 -16.294  -8.725  12.768
  639    HG2  ARG  70           HG2      ARG  70 -15.235  -7.727  14.667
  640    HG3  ARG  70           HG3      ARG  70 -16.784  -6.886  14.467
  641    HD2  ARG  70           HD2      ARG  70 -17.752  -8.207  16.331
  642    HD3  ARG  70           HD3      ARG  70 -16.243  -9.139  16.460
  643    HE   ARG  70           HE       ARG  70 -15.626  -6.362  16.669
  644   HH11  ARG  70          HH11      ARG  70 -17.363  -8.672  18.665
  645   HH12  ARG  70          HH12      ARG  70 -16.840  -7.907  20.142
  646   HH21  ARG  70          HH21      ARG  70 -14.835  -5.597  18.528
  647   HH22  ARG  70          HH22      ARG  70 -15.487  -6.134  20.062
  648    H    LEU  71           H        LEU  71 -18.619  -9.502  11.082
  649    HA   LEU  71           HA       LEU  71 -19.546  -6.825  10.221
  650    HB2  LEU  71           HB2      LEU  71 -19.406  -9.512   8.774
  651    HB3  LEU  71           HB3      LEU  71 -19.897  -8.003   8.027
  652    HG   LEU  71           HG       LEU  71 -17.116  -8.540   9.165
  653   HD11  LEU  71          HD11      LEU  71 -18.107  -8.377   6.293
  654   HD12  LEU  71          HD12      LEU  71 -16.430  -8.639   6.807
  655   HD13  LEU  71          HD13      LEU  71 -17.662  -9.873   7.134
  656   HD21  LEU  71          HD21      LEU  71 -16.506  -6.476   7.917
  657   HD22  LEU  71          HD22      LEU  71 -18.210  -6.216   7.507
  658   HD23  LEU  71          HD23      LEU  71 -17.664  -6.131   9.201
  659    H    GLN  72           H        GLN  72 -21.730  -6.416   9.501
  660    HA   GLN  72           HA       GLN  72 -23.757  -7.845  10.988
  661    HB2  GLN  72           HB2      GLN  72 -23.893  -5.451   9.147
  662    HB3  GLN  72           HB3      GLN  72 -25.302  -6.138   9.980
  663    HG2  GLN  72           HG2      GLN  72 -24.237  -5.816  12.176
  664    HG3  GLN  72           HG3      GLN  72 -22.799  -5.142  11.416
  665   HE21  GLN  72          HE21      GLN  72 -24.735  -2.212  12.533
  666   HE22  GLN  72          HE22      GLN  72 -23.802  -3.516  13.255
  667    H    LEU  73           H        LEU  73 -22.665  -9.651   9.355
  668    HA   LEU  73           HA       LEU  73 -24.501 -10.303   7.122
  669    HB2  LEU  73           HB2      LEU  73 -22.117 -11.718   8.381
  670    HB3  LEU  73           HB3      LEU  73 -23.053 -12.393   7.054
  671    HG   LEU  73           HG       LEU  73 -21.626  -9.697   6.845
  672   HD11  LEU  73          HD11      LEU  73 -20.646 -12.458   6.034
  673   HD12  LEU  73          HD12      LEU  73 -19.877 -10.917   5.589
  674   HD13  LEU  73          HD13      LEU  73 -19.948 -11.407   7.279
  675   HD21  LEU  73          HD21      LEU  73 -21.803 -10.137   4.421
  676   HD22  LEU  73          HD22      LEU  73 -22.690 -11.640   4.739
  677   HD23  LEU  73          HD23      LEU  73 -23.407 -10.064   5.163
  678    H    ASN  74           H        ASN  74 -25.557 -12.446   7.168
  679    HA   ASN  74           HA       ASN  74 -26.427 -13.501   9.777
  680    HB2  ASN  74           HB2      ASN  74 -27.886 -11.527   9.403
  681    HB3  ASN  74           HB3      ASN  74 -28.297 -12.098   7.793
  682   HD21  ASN  74          HD21      ASN  74 -30.346 -13.539  10.969
  683   HD22  ASN  74          HD22      ASN  74 -29.035 -12.391  11.201
  684    H    ALA  75           H        ALA  75 -27.599 -15.568   9.511
  685    HA   ALA  75           HA       ALA  75 -26.492 -17.273   7.569
  686    HB1  ALA  75           HB1      ALA  75 -29.040 -17.607   9.210
  687    HB2  ALA  75           HB2      ALA  75 -28.105 -18.913   8.455
  688    HB3  ALA  75           HB3      ALA  75 -27.387 -17.960   9.765
  689    H    ASN  76           H        ASN  76 -29.374 -15.270   7.225
  690    HA   ASN  76           HA       ASN  76 -30.449 -16.625   4.887
  691    HB2  ASN  76           HB2      ASN  76 -30.846 -13.837   6.066
  692    HB3  ASN  76           HB3      ASN  76 -31.692 -14.422   4.636
  693   HD21  ASN  76          HD21      ASN  76 -32.985 -15.647   8.271
  694   HD22  ASN  76          HD22      ASN  76 -31.540 -14.643   8.125
  695    H    GLN  77           H        GLN  77 -27.706 -14.517   5.276
  696    HA   GLN  77           HA       GLN  77 -27.705 -13.651   2.435
  697    HB2  GLN  77           HB2      GLN  77 -25.661 -13.017   4.600
  698    HB3  GLN  77           HB3      GLN  77 -25.846 -12.244   3.038
  699    HG2  GLN  77           HG2      GLN  77 -27.664 -12.008   5.467
  700    HG3  GLN  77           HG3      GLN  77 -26.695 -10.746   4.723
  701   HE21  GLN  77          HE21      GLN  77 -29.079 -10.372   1.935
  702   HE22  GLN  77          HE22      GLN  77 -27.349 -10.323   2.243
  703    H    ALA  78           H        ALA  78 -26.356 -14.539   0.910
  704    HA   ALA  78           HA       ALA  78 -24.693 -16.871   1.568
  705    HB1  ALA  78           HB1      ALA  78 -24.213 -16.881  -0.833
  706    HB2  ALA  78           HB2      ALA  78 -25.961 -16.742  -0.549
  707    HB3  ALA  78           HB3      ALA  78 -25.020 -15.307  -1.028
  708    H    PHE  79           H        PHE  79 -22.485 -16.861   1.911
  709    HA   PHE  79           HA       PHE  79 -20.918 -14.431   1.454
  710    HB2  PHE  79           HB2      PHE  79 -21.687 -13.716   3.473
  711    HB3  PHE  79           HB3      PHE  79 -21.743 -15.331   4.159
  712    HD1  PHE  79           HD1      PHE  79 -19.290 -12.753   2.986
  713    HD2  PHE  79           HD2      PHE  79 -20.006 -16.130   5.559
  714    HE1  PHE  79           HE1      PHE  79 -17.118 -12.337   4.146
  715    HE2  PHE  79           HE2      PHE  79 -17.813 -15.753   6.663
  716    HZ   PHE  79           HZ       PHE  79 -16.393 -13.836   5.986
  717    H    PHE  80           H        PHE  80 -18.901 -14.591   0.953
  718    HA   PHE  80           HA       PHE  80 -17.356 -17.009   1.677
  719    HB2  PHE  80           HB2      PHE  80 -17.780 -15.943  -1.131
  720    HB3  PHE  80           HB3      PHE  80 -16.580 -17.139  -0.687
  721    HD1  PHE  80           HD1      PHE  80 -20.139 -16.541  -1.284
  722    HD2  PHE  80           HD2      PHE  80 -17.222 -19.435  -0.006
  723    HE1  PHE  80           HE1      PHE  80 -21.796 -18.364  -1.646
  724    HE2  PHE  80           HE2      PHE  80 -18.880 -21.262  -0.361
  725    HZ   PHE  80           HZ       PHE  80 -21.162 -20.724  -1.184
  726    H    LEU  81           H        LEU  81 -15.248 -16.741   2.086
  727    HA   LEU  81           HA       LEU  81 -13.910 -14.137   1.412
  728    HB2  LEU  81           HB2      LEU  81 -13.170 -16.288   3.450
  729    HB3  LEU  81           HB3      LEU  81 -12.167 -14.902   3.034
  730    HG   LEU  81           HG       LEU  81 -14.866 -14.845   4.427
  731   HD11  LEU  81          HD11      LEU  81 -13.561 -13.940   6.297
  732   HD12  LEU  81          HD12      LEU  81 -12.877 -15.494   5.798
  733   HD13  LEU  81          HD13      LEU  81 -12.076 -13.983   5.322
  734   HD21  LEU  81          HD21      LEU  81 -14.781 -12.855   3.016
  735   HD22  LEU  81          HD22      LEU  81 -14.417 -12.372   4.670
  736   HD23  LEU  81          HD23      LEU  81 -13.090 -12.537   3.495
  737    H    LEU  82           H        LEU  82 -13.462 -14.493  -0.715
  738    HA   LEU  82           HA       LEU  82 -12.443 -17.064  -1.650
  739    HB2  LEU  82           HB2      LEU  82 -12.642 -14.406  -3.106
  740    HB3  LEU  82           HB3      LEU  82 -12.429 -15.987  -3.836
  741    HG   LEU  82           HG       LEU  82 -14.926 -15.034  -2.346
  742   HD11  LEU  82          HD11      LEU  82 -14.367 -15.558  -5.298
  743   HD12  LEU  82          HD12      LEU  82 -15.954 -15.181  -4.599
  744   HD13  LEU  82          HD13      LEU  82 -14.654 -13.975  -4.531
  745   HD21  LEU  82          HD21      LEU  82 -15.922 -17.133  -3.200
  746   HD22  LEU  82          HD22      LEU  82 -14.336 -17.637  -3.815
  747   HD23  LEU  82          HD23      LEU  82 -14.620 -17.466  -2.062
  748    H    VAL  83           H        VAL  83 -10.524 -17.455  -0.567
  749    HA   VAL  83           HA       VAL  83  -8.391 -15.497  -0.476
  750    HB   VAL  83           HB       VAL  83  -8.684 -17.150   1.271
  751   HG11  VAL  83          HG11      VAL  83  -7.553 -19.215  -0.659
  752   HG12  VAL  83          HG12      VAL  83  -7.911 -19.423   1.067
  753   HG13  VAL  83          HG13      VAL  83  -9.231 -19.166  -0.082
  754   HG21  VAL  83          HG21      VAL  83  -6.529 -15.998   0.948
  755   HG22  VAL  83          HG22      VAL  83  -6.321 -17.627   1.590
  756   HG23  VAL  83          HG23      VAL  83  -5.982 -17.306  -0.122
  757    H    ASN  84           H        ASN  84  -6.977 -14.969  -1.949
  758    HA   ASN  84           HA       ASN  84  -6.308 -14.640  -4.107
  759    HB2  ASN  84           HB2      ASN  84  -4.666 -16.230  -3.119
  760    HB3  ASN  84           HB3      ASN  84  -5.559 -17.570  -3.849
  761   HD21  ASN  84          HD21      ASN  84  -3.140 -17.264  -6.413
  762   HD22  ASN  84          HD22      ASN  84  -3.714 -18.204  -5.020
  763    H    GLY  85           H        GLY  85  -9.094 -15.068  -4.002
  764    HA2  GLY  85           HA2      GLY  85 -10.694 -14.960  -5.672
  765    HA3  GLY  85           HA3      GLY  85  -9.583 -15.691  -6.823
  766    H    HIS  86           H        HIS  86  -9.760 -17.821  -4.144
  767    HA   HIS  86           HA       HIS  86 -12.267 -19.131  -5.149
  768    HB2  HIS  86           HB2      HIS  86 -10.286 -20.193  -6.207
  769    HB3  HIS  86           HB3      HIS  86  -9.643 -20.585  -4.619
  770    HD1  HIS  86           HD1      HIS  86 -10.440 -22.921  -3.685
  771    HD2  HIS  86           HD2      HIS  86 -12.926 -21.277  -6.689
  772    HE1  HIS  86           HE1      HIS  86 -12.281 -24.664  -4.151
  773    HE2  HIS  86           HE2      HIS  86 -13.774 -23.668  -5.992
  774    H    SER  87           H        SER  87 -13.431 -20.437  -3.690
  775    HA   SER  87           HA       SER  87 -13.419 -19.446  -0.982
  776    HB2  SER  87           HB2      SER  87 -15.495 -20.055  -2.090
  777    HB3  SER  87           HB3      SER  87 -14.938 -21.736  -2.262
  778    HG   SER  87           HG       SER  87 -16.157 -21.703  -0.424
  779    H    MET  88           H        MET  88 -12.873 -20.322   0.905
  780    HA   MET  88           HA       MET  88 -12.092 -23.163   1.161
  781    HB2  MET  88           HB2      MET  88 -10.316 -20.871   2.097
  782    HB3  MET  88           HB3      MET  88 -10.160 -22.535   2.654
  783    HG2  MET  88           HG2      MET  88  -9.853 -23.244   0.245
  784    HG3  MET  88           HG3      MET  88  -9.714 -21.521  -0.150
  785    HE1  MET  88           HE1      MET  88  -5.986 -22.562  -0.457
  786    HE2  MET  88           HE2      MET  88  -7.419 -23.461  -1.005
  787    HE3  MET  88           HE3      MET  88  -7.350 -21.691  -1.190
  788    H    VAL  89           H        VAL  89 -14.516 -21.593   1.890
  789    HA   VAL  89           HA       VAL  89 -14.373 -20.751   4.615
  790    HB   VAL  89           HB       VAL  89 -16.755 -20.540   4.614
  791   HG11  VAL  89          HG11      VAL  89 -15.718 -19.778   1.848
  792   HG12  VAL  89          HG12      VAL  89 -17.077 -19.066   2.732
  793   HG13  VAL  89          HG13      VAL  89 -15.427 -18.871   3.345
  794   HG21  VAL  89          HG21      VAL  89 -18.167 -21.235   2.712
  795   HG22  VAL  89          HG22      VAL  89 -16.810 -22.136   2.020
  796   HG23  VAL  89          HG23      VAL  89 -17.506 -22.620   3.584
  797    H    SER  90           H        SER  90 -15.010 -23.977   3.386
  798    HA   SER  90           HA       SER  90 -15.856 -25.024   6.003
  799    HB2  SER  90           HB2      SER  90 -16.030 -27.150   4.752
  800    HB3  SER  90           HB3      SER  90 -16.914 -25.835   3.969
  801    HG   SER  90           HG       SER  90 -15.624 -27.064   2.479
  802    H    VAL  91           H        VAL  91 -12.811 -24.271   4.762
  803    HA   VAL  91           HA       VAL  91 -11.465 -26.782   5.322
  804    HB   VAL  91           HB       VAL  91 -10.322 -24.077   4.569
  805   HG11  VAL  91          HG11      VAL  91  -9.041 -26.841   4.576
  806   HG12  VAL  91          HG12      VAL  91  -8.355 -25.392   3.804
  807   HG13  VAL  91          HG13      VAL  91  -8.568 -25.419   5.551
  808   HG21  VAL  91          HG21      VAL  91 -10.140 -25.064   2.308
  809   HG22  VAL  91          HG22      VAL  91 -10.926 -26.549   2.880
  810   HG23  VAL  91          HG23      VAL  91 -11.834 -25.030   2.817
  811    H    SER  92           H        SER  92 -10.615 -27.495   7.131
  812    HA   SER  92           HA       SER  92 -10.567 -25.904   9.569
  813    HB2  SER  92           HB2      SER  92  -9.958 -28.076  10.596
  814    HB3  SER  92           HB3      SER  92 -11.387 -28.194   9.554
  815    HG   SER  92           HG       SER  92  -9.868 -29.909   9.179
  816    H    THR  93           H        THR  93  -8.261 -26.166   7.158
  817    HA   THR  93           HA       THR  93  -5.928 -26.587   8.661
  818    HB   THR  93           HB       THR  93  -6.306 -26.828   6.133
  819    HG1  THR  93           HG1      THR  93  -4.113 -26.986   5.976
  820   HG21  THR  93          HG21      THR  93  -5.313 -25.155   4.738
  821   HG22  THR  93          HG22      THR  93  -6.537 -24.308   5.703
  822   HG23  THR  93          HG23      THR  93  -4.824 -24.164   6.126
  823    HA   PRO  94           HA       PRO  94  -4.885 -22.814  10.736
  824    HB2  PRO  94           HB2      PRO  94  -2.063 -23.489   9.892
  825    HB3  PRO  94           HB3      PRO  94  -2.656 -22.937  11.489
  826    HG2  PRO  94           HG2      PRO  94  -2.149 -25.550  11.095
  827    HG3  PRO  94           HG3      PRO  94  -3.671 -25.069  11.924
  828    HD2  PRO  94           HD2      PRO  94  -3.268 -25.849   9.028
  829    HD3  PRO  94           HD3      PRO  94  -4.532 -26.370  10.177
  830    H    ILE  95           H        ILE  95  -4.437 -20.616  10.303
  831    HA   ILE  95           HA       ILE  95  -4.651 -19.735   7.627
  832    HB   ILE  95           HB       ILE  95  -5.362 -18.467   9.632
  833   HG12  ILE  95          HG12      ILE  95  -4.703 -16.215   8.952
  834   HG13  ILE  95          HG13      ILE  95  -3.411 -16.840   7.938
  835   HG21  ILE  95          HG21      ILE  95  -3.366 -18.872  11.090
  836   HG22  ILE  95          HG22      ILE  95  -2.403 -17.797  10.057
  837   HG23  ILE  95          HG23      ILE  95  -3.777 -17.171  10.973
  838   HD11  ILE  95          HD11      ILE  95  -6.387 -17.430   7.543
  839   HD12  ILE  95          HD12      ILE  95  -5.488 -16.142   6.721
  840   HD13  ILE  95          HD13      ILE  95  -5.069 -17.834   6.419
  841    H    SER  96           H        SER  96  -1.734 -20.466   9.447
  842    HA   SER  96           HA       SER  96   0.182 -19.261   7.651
  843    HB2  SER  96           HB2      SER  96   1.756 -20.838   8.817
  844    HB3  SER  96           HB3      SER  96   0.808 -19.816   9.910
  845    HG   SER  96           HG       SER  96   0.562 -21.763  10.773
  846    H    GLU  97           H        GLU  97  -1.424 -22.472   7.713
  847    HA   GLU  97           HA       GLU  97   0.069 -23.504   5.421
  848    HB2  GLU  97           HB2      GLU  97  -2.545 -24.403   6.696
  849    HB3  GLU  97           HB3      GLU  97  -1.704 -25.271   5.426
  850    HG2  GLU  97           HG2      GLU  97  -0.624 -24.701   8.224
  851    HG3  GLU  97           HG3      GLU  97  -1.323 -26.217   7.681
  852    H    VAL  98           H        VAL  98  -3.080 -21.848   5.860
  853    HA   VAL  98           HA       VAL  98  -3.837 -21.831   3.085
  854    HB   VAL  98           HB       VAL  98  -4.361 -19.655   5.137
  855   HG11  VAL  98          HG11      VAL  98  -4.811 -18.920   2.818
  856   HG12  VAL  98          HG12      VAL  98  -5.818 -20.350   2.552
  857   HG13  VAL  98          HG13      VAL  98  -6.315 -19.112   3.727
  858   HG21  VAL  98          HG21      VAL  98  -6.544 -20.698   5.468
  859   HG22  VAL  98          HG22      VAL  98  -6.097 -22.046   4.398
  860   HG23  VAL  98          HG23      VAL  98  -5.262 -21.806   5.953
  861    H    TYR  99           H        TYR  99  -1.842 -19.497   4.993
  862    HA   TYR  99           HA       TYR  99  -1.061 -17.951   2.766
  863    HB2  TYR  99           HB2      TYR  99  -0.684 -16.867   4.703
  864    HB3  TYR  99           HB3      TYR  99   0.053 -18.258   5.494
  865    HD1  TYR  99           HD1      TYR  99   2.411 -18.593   5.482
  866    HD2  TYR  99           HD2      TYR  99   0.633 -15.722   2.789
  867    HE1  TYR  99           HE1      TYR  99   4.675 -17.841   4.783
  868    HE2  TYR  99           HE2      TYR  99   2.911 -14.988   2.086
  869    HH   TYR  99           HH       TYR  99   5.895 -16.416   3.447
  870    H    GLU 100           H        GLU 100   0.776 -20.790   4.039
  871    HA   GLU 100           HA       GLU 100   2.754 -20.685   2.035
  872    HB2  GLU 100           HB2      GLU 100   3.001 -22.066   3.985
  873    HB3  GLU 100           HB3      GLU 100   1.539 -22.969   3.612
  874    HG2  GLU 100           HG2      GLU 100   3.491 -24.306   3.198
  875    HG3  GLU 100           HG3      GLU 100   2.580 -24.053   1.722
  876    H    SER 101           H        SER 101  -0.545 -21.915   1.775
  877    HA   SER 101           HA       SER 101  -0.199 -23.112  -0.862
  878    HB2  SER 101           HB2      SER 101  -2.710 -22.308   0.663
  879    HB3  SER 101           HB3      SER 101  -2.663 -23.245  -0.836
  880    HG   SER 101           HG       SER 101  -1.635 -23.970   1.717
  881    H    GLU 102           H        GLU 102  -1.360 -19.930   0.284
  882    HA   GLU 102           HA       GLU 102  -1.745 -19.000  -2.548
  883    HB2  GLU 102           HB2      GLU 102  -3.465 -18.420  -0.124
  884    HB3  GLU 102           HB3      GLU 102  -3.729 -17.785  -1.742
  885    HG2  GLU 102           HG2      GLU 102  -3.957 -20.686  -0.857
  886    HG3  GLU 102           HG3      GLU 102  -5.263 -19.590  -1.252
  887    H    LYS 103           H        LYS 103   0.540 -18.570  -0.613
  888    HA   LYS 103           HA       LYS 103   0.837 -15.913   0.024
  889    HB2  LYS 103           HB2      LYS 103   3.293 -16.257  -0.297
  890    HB3  LYS 103           HB3      LYS 103   2.473 -17.426   0.721
  891    HG2  LYS 103           HG2      LYS 103   2.423 -19.025  -1.263
  892    HG3  LYS 103           HG3      LYS 103   3.483 -17.875  -2.109
  893    HD2  LYS 103           HD2      LYS 103   5.163 -18.111  -0.302
  894    HD3  LYS 103           HD3      LYS 103   4.063 -19.177   0.595
  895    HE2  LYS 103           HE2      LYS 103   4.076 -20.760  -1.359
  896    HE3  LYS 103           HE3      LYS 103   5.286 -19.738  -2.146
  897    HZ1  LYS 103           HZ1      LYS 103   6.336 -21.573  -0.936
  898    HZ2  LYS 103           HZ2      LYS 103   6.760 -20.169  -0.212
  899    HZ3  LYS 103           HZ3      LYS 103   5.614 -21.143   0.468
  900    H    ASP 104           H        ASP 104   1.029 -14.066  -0.890
  901    HA   ASP 104           HA       ASP 104   0.626 -13.821  -3.731
  902    HB2  ASP 104           HB2      ASP 104  -0.756 -12.542  -2.504
  903    HB3  ASP 104           HB3      ASP 104   0.505 -11.970  -1.415
  904    H    GLU 105           H        GLU 105   1.674 -11.983  -5.011
  905    HA   GLU 105           HA       GLU 105   4.274 -12.821  -5.759
  906    HB2  GLU 105           HB2      GLU 105   2.785 -10.216  -6.298
  907    HB3  GLU 105           HB3      GLU 105   4.264 -10.743  -7.120
  908    HG2  GLU 105           HG2      GLU 105   3.062 -12.831  -7.847
  909    HG3  GLU 105           HG3      GLU 105   1.567 -12.160  -7.182
  910    H    ASP 106           H        ASP 106   3.318 -10.106  -3.627
  911    HA   ASP 106           HA       ASP 106   6.077 -10.039  -2.621
  912    HB2  ASP 106           HB2      ASP 106   4.790  -7.599  -3.801
  913    HB3  ASP 106           HB3      ASP 106   6.005  -7.484  -2.546
  914    H    GLY 107           H        GLY 107   2.718  -9.440  -1.912
  915    HA2  GLY 107           HA2      GLY 107   3.276  -8.735   0.907
  916    HA3  GLY 107           HA3      GLY 107   1.702  -8.894   0.125
  917    H    PHE 108           H        PHE 108   1.464 -10.052   2.320
  918    HA   PHE 108           HA       PHE 108   2.230 -12.872   2.178
  919    HB2  PHE 108           HB2      PHE 108   1.163 -11.278   4.395
  920    HB3  PHE 108           HB3      PHE 108   0.764 -12.987   4.337
  921    HD1  PHE 108           HD1      PHE 108   3.903 -10.944   3.669
  922    HD2  PHE 108           HD2      PHE 108   2.114 -14.338   5.630
  923    HE1  PHE 108           HE1      PHE 108   6.105 -11.561   4.616
  924    HE2  PHE 108           HE2      PHE 108   4.313 -14.960   6.565
  925    HZ   PHE 108           HZ       PHE 108   6.325 -13.586   6.040
  926    H    LEU 109           H        LEU 109  -1.079 -11.713   2.911
  927    HA   LEU 109           HA       LEU 109  -2.002 -13.704   0.878
  928    HB2  LEU 109           HB2      LEU 109  -1.686 -14.620   3.195
  929    HB3  LEU 109           HB3      LEU 109  -2.878 -13.473   3.775
  930    HG   LEU 109           HG       LEU 109  -4.617 -14.596   2.367
  931   HD11  LEU 109          HD11      LEU 109  -3.347 -15.565   0.551
  932   HD12  LEU 109          HD12      LEU 109  -2.282 -16.433   1.677
  933   HD13  LEU 109          HD13      LEU 109  -3.977 -16.912   1.503
  934   HD21  LEU 109          HD21      LEU 109  -3.048 -16.498   4.166
  935   HD22  LEU 109          HD22      LEU 109  -4.207 -15.273   4.733
  936   HD23  LEU 109          HD23      LEU 109  -4.768 -16.626   3.733
  937    H    TYR 110           H        TYR 110  -3.905 -13.378  -0.159
  938    HA   TYR 110           HA       TYR 110  -5.504 -10.973   0.526
  939    HB2  TYR 110           HB2      TYR 110  -4.496 -11.867  -2.122
  940    HB3  TYR 110           HB3      TYR 110  -6.080 -11.142  -2.054
  941    HD1  TYR 110           HD1      TYR 110  -2.502 -10.502  -1.089
  942    HD2  TYR 110           HD2      TYR 110  -6.378  -8.827  -1.983
  943    HE1  TYR 110           HE1      TYR 110  -1.512  -8.217  -1.137
  944    HE2  TYR 110           HE2      TYR 110  -5.386  -6.560  -2.045
  945    HH   TYR 110           HH       TYR 110  -1.877  -5.999  -1.662
  946    H    MET 111           H        MET 111  -7.658 -10.976   0.670
  947    HA   MET 111           HA       MET 111  -9.116 -13.433  -0.225
  948    HB2  MET 111           HB2      MET 111  -9.528 -11.953   2.407
  949    HB3  MET 111           HB3      MET 111 -10.541 -13.266   1.784
  950    HG2  MET 111           HG2      MET 111  -8.521 -14.748   1.762
  951    HG3  MET 111           HG3      MET 111  -7.597 -13.452   2.526
  952    HE1  MET 111           HE1      MET 111  -6.762 -15.104   4.315
  953    HE2  MET 111           HE2      MET 111  -7.819 -16.146   5.284
  954    HE3  MET 111           HE3      MET 111  -7.693 -16.402   3.538
  955    H    VAL 112           H        VAL 112 -10.599 -12.972  -1.709
  956    HA   VAL 112           HA       VAL 112 -11.726 -10.245  -1.812
  957    HB   VAL 112           HB       VAL 112 -12.459 -12.323  -3.823
  958   HG11  VAL 112          HG11      VAL 112 -12.186  -9.291  -3.935
  959   HG12  VAL 112          HG12      VAL 112 -12.808 -10.349  -5.221
  960   HG13  VAL 112          HG13      VAL 112 -13.713 -10.168  -3.703
  961   HG21  VAL 112          HG21      VAL 112  -9.971 -10.577  -3.854
  962   HG22  VAL 112          HG22      VAL 112 -10.026 -12.358  -3.888
  963   HG23  VAL 112          HG23      VAL 112 -10.633 -11.439  -5.265
  964    H    TYR 113           H        TYR 113 -13.484  -9.711  -0.816
  965    HA   TYR 113           HA       TYR 113 -15.195 -11.765   0.374
  966    HB2  TYR 113           HB2      TYR 113 -14.478 -10.398   1.964
  967    HB3  TYR 113           HB3      TYR 113 -14.542  -8.966   0.969
  968    HD1  TYR 113           HD1      TYR 113 -17.359 -11.346   1.855
  969    HD2  TYR 113           HD2      TYR 113 -15.596  -7.426   2.285
  970    HE1  TYR 113           HE1      TYR 113 -19.331 -10.565   3.194
  971    HE2  TYR 113           HE2      TYR 113 -17.574  -6.686   3.587
  972    HH   TYR 113           HH       TYR 113 -19.588  -7.277   4.495
  973    H    ALA 114           H        ALA 114 -16.931 -12.586  -0.493
  974    HA   ALA 114           HA       ALA 114 -18.647 -10.926  -2.289
  975    HB1  ALA 114           HB1      ALA 114 -18.332 -12.508  -4.118
  976    HB2  ALA 114           HB2      ALA 114 -16.736 -11.952  -3.592
  977    HB3  ALA 114           HB3      ALA 114 -17.308 -13.553  -3.096
  978    H    SER 115           H        SER 115 -20.631 -11.974  -2.976
  979    HA   SER 115           HA       SER 115 -21.755 -13.879  -1.032
  980    HB2  SER 115           HB2      SER 115 -23.876 -13.379  -2.332
  981    HB3  SER 115           HB3      SER 115 -23.133 -12.034  -1.457
  982    HG   SER 115           HG       SER 115 -23.753 -11.430  -3.562
  983    H    GLN 116           H        GLN 116 -20.079 -14.247  -3.922
  984    HA   GLN 116           HA       GLN 116 -21.445 -16.812  -4.638
  985    HB2  GLN 116           HB2      GLN 116 -19.731 -14.894  -6.256
  986    HB3  GLN 116           HB3      GLN 116 -20.042 -16.542  -6.764
  987    HG2  GLN 116           HG2      GLN 116 -21.541 -14.993  -7.896
  988    HG3  GLN 116           HG3      GLN 116 -22.420 -16.176  -6.931
  989   HE21  GLN 116          HE21      GLN 116 -22.359 -12.359  -5.363
  990   HE22  GLN 116          HE22      GLN 116 -21.029 -12.819  -6.432
  991    H    GLU 117           H        GLU 117 -20.258 -18.713  -4.917
  992    HA   GLU 117           HA       GLU 117 -17.976 -19.122  -3.232
  993    HB2  GLU 117           HB2      GLU 117 -19.742 -20.773  -3.763
  994    HB3  GLU 117           HB3      GLU 117 -19.153 -20.860  -5.435
  995    HG2  GLU 117           HG2      GLU 117 -17.017 -21.784  -4.663
  996    HG3  GLU 117           HG3      GLU 117 -17.516 -21.589  -2.973
  997    H    THR 118           H        THR 118 -18.209 -18.280  -6.615
  998    HA   THR 118           HA       THR 118 -15.400 -17.601  -6.719
  999    HB   THR 118           HB       THR 118 -15.094 -19.906  -7.376
 1000    HG1  THR 118           HG1      THR 118 -14.151 -19.506  -9.354
 1001   HG21  THR 118          HG21      THR 118 -17.144 -19.460  -9.599
 1002   HG22  THR 118          HG22      THR 118 -16.121 -20.899  -9.363
 1003   HG23  THR 118          HG23      THR 118 -17.363 -20.508  -8.173
 1004    H    PHE 119           H        PHE 119 -14.980 -16.105  -8.413
 1005    HA   PHE 119           HA       PHE 119 -17.359 -15.005  -9.753
 1006    HB2  PHE 119           HB2      PHE 119 -15.822 -13.120 -10.440
 1007    HB3  PHE 119           HB3      PHE 119 -16.423 -13.258  -8.804
 1008    HD1  PHE 119           HD1      PHE 119 -14.953 -13.150  -6.969
 1009    HD2  PHE 119           HD2      PHE 119 -13.413 -14.097 -10.885
 1010    HE1  PHE 119           HE1      PHE 119 -12.625 -12.978  -6.104
 1011    HE2  PHE 119           HE2      PHE 119 -11.087 -13.925 -10.015
 1012    HZ   PHE 119           HZ       PHE 119 -10.691 -13.344  -7.630
 1013    H    GLY 120           H        GLY 120 -15.310 -17.373 -10.557
 1014    HA2  GLY 120           HA2      GLY 120 -15.434 -18.618 -12.562
 1015    HA3  GLY 120           HA3      GLY 120 -16.018 -17.209 -13.442
 1016    H1   ASP  10           H1       ASP  10 -13.107  -2.981  17.704
 1017    H2   ASP  10           H2       ASP  10 -13.935  -1.624  18.125
 1018    H3   ASP  10           H3       ASP  10 -13.089  -1.674  16.705
 1019    HA   ASP  10           HA       ASP  10 -11.925  -0.363  18.409
 1020    HB2  ASP  10           HB2      ASP  10 -12.710  -1.853  20.307
 1021    HB3  ASP  10           HB3      ASP  10 -11.605  -3.103  19.739
 1022    H    TYR  11           H        TYR  11  -9.782  -0.037  17.810
 1023    HA   TYR  11           HA       TYR  11  -8.128  -0.077  16.385
 1024    HB2  TYR  11           HB2      TYR  11  -7.963  -2.925  17.233
 1025    HB3  TYR  11           HB3      TYR  11  -6.977  -2.366  15.899
 1026    HD1  TYR  11           HD1      TYR  11  -7.120  -2.601  19.455
 1027    HD2  TYR  11           HD2      TYR  11  -5.601  -0.212  16.187
 1028    HE1  TYR  11           HE1      TYR  11  -5.375  -1.669  20.956
 1029    HE2  TYR  11           HE2      TYR  11  -3.855   0.735  17.711
 1030    HH   TYR  11           HH       TYR  11  -3.596  -0.206  21.161
 1031    H    GLU  12           H        GLU  12  -9.778  -2.983  15.238
 1032    HA   GLU  12           HA       GLU  12  -9.770  -3.874  13.112
 1033    HB2  GLU  12           HB2      GLU  12 -11.376  -2.752  11.659
 1034    HB3  GLU  12           HB3      GLU  12 -11.928  -2.979  13.288
 1035    HG2  GLU  12           HG2      GLU  12 -10.745  -0.339  12.377
 1036    HG3  GLU  12           HG3      GLU  12 -12.400  -0.763  12.025
 1037    H    SER  13           H        SER  13  -9.945  -2.124  10.589
 1038    HA   SER  13           HA       SER  13  -7.246  -2.745   9.868
 1039    HB2  SER  13           HB2      SER  13  -9.490  -1.478   8.261
 1040    HB3  SER  13           HB3      SER  13  -8.033  -2.258   7.622
 1041    HG   SER  13           HG       SER  13  -8.823  -4.140   9.052
 1042    H    ASP  14           H        ASP  14  -6.735  -0.802  11.647
 1043    HA   ASP  14           HA       ASP  14  -5.918   1.551  10.054
 1044    HB2  ASP  14           HB2      ASP  14  -6.184   1.257  12.998
 1045    HB3  ASP  14           HB3      ASP  14  -5.228   2.550  12.268
 1046    H    ASP  15           H        ASP  15  -3.609   1.020  12.577
 1047    HA   ASP  15           HA       ASP  15  -1.651  -0.078  10.693
 1048    HB2  ASP  15           HB2      ASP  15  -1.885   2.255   9.919
 1049    HB3  ASP  15           HB3      ASP  15  -1.542   2.836  11.547
 1050    H    ASP  16           H        ASP  16   0.488  -0.195  11.494
 1051    HA   ASP  16           HA       ASP  16   2.020  -0.996  12.859
 1052    HB2  ASP  16           HB2      ASP  16   2.576   1.205  12.825
 1053    HB3  ASP  16           HB3      ASP  16   1.331   1.652  13.987
 1054    H    SER  17           H        SER  17   0.425   0.148  15.804
 1055    HA   SER  17           HA       SER  17   1.335  -2.290  17.130
 1056    HB2  SER  17           HB2      SER  17   0.624  -1.101  19.182
 1057    HB3  SER  17           HB3      SER  17   1.712  -0.141  18.169
 1058    HG   SER  17           HG       SER  17  -0.109   1.074  18.923
 1059    H    TYR  18           H        TYR  18  -1.359  -1.781  15.405
 1060    HA   TYR  18           HA       TYR  18  -3.472  -2.291  17.086
 1061    HB2  TYR  18           HB2      TYR  18  -4.809  -2.596  15.045
 1062    HB3  TYR  18           HB3      TYR  18  -3.826  -1.153  15.143
 1063    HD1  TYR  18           HD1      TYR  18  -5.086  -1.592  12.849
 1064    HD2  TYR  18           HD2      TYR  18  -1.368  -3.433  14.005
 1065    HE1  TYR  18           HE1      TYR  18  -4.558  -2.097  10.444
 1066    HE2  TYR  18           HE2      TYR  18  -0.813  -3.827  11.642
 1067    HH   TYR  18           HH       TYR  18  -1.537  -3.689   9.391
 1068    H    GLU  19           H        GLU  19  -5.027  -3.791  17.491
 1069    HA   GLU  19           HA       GLU  19  -4.327  -6.633  17.454
 1070    HB2  GLU  19           HB2      GLU  19  -6.896  -5.143  18.104
 1071    HB3  GLU  19           HB3      GLU  19  -6.701  -6.873  18.320
 1072    HG2  GLU  19           HG2      GLU  19  -5.011  -4.758  19.726
 1073    HG3  GLU  19           HG3      GLU  19  -6.444  -5.514  20.404
 1074    H    VAL  20           H        VAL  20  -6.173  -4.551  15.362
 1075    HA   VAL  20           HA       VAL  20  -7.085  -4.677  13.395
 1076    HB   VAL  20           HB       VAL  20  -5.691  -7.062  12.381
 1077   HG11  VAL  20          HG11      VAL  20  -5.780  -4.138  11.545
 1078   HG12  VAL  20          HG12      VAL  20  -5.158  -5.477  10.569
 1079   HG13  VAL  20          HG13      VAL  20  -6.890  -5.373  10.968
 1080   HG21  VAL  20          HG21      VAL  20  -3.909  -6.473  13.820
 1081   HG22  VAL  20          HG22      VAL  20  -3.538  -5.696  12.270
 1082   HG23  VAL  20          HG23      VAL  20  -4.201  -4.749  13.595
 1083    H    LEU  21           H        LEU  21  -7.437  -7.938  14.701
 1084    HA   LEU  21           HA       LEU  21  -9.618  -8.613  12.823
 1085    HB2  LEU  21           HB2      LEU  21  -8.418  -9.877  15.326
 1086    HB3  LEU  21           HB3      LEU  21  -9.878 -10.533  14.607
 1087    HG   LEU  21           HG       LEU  21  -7.382 -10.171  12.939
 1088   HD11  LEU  21          HD11      LEU  21  -6.861 -12.535  13.403
 1089   HD12  LEU  21          HD12      LEU  21  -6.776 -11.561  14.876
 1090   HD13  LEU  21          HD13      LEU  21  -8.186 -12.607  14.590
 1091   HD21  LEU  21          HD21      LEU  21  -9.721 -12.115  12.724
 1092   HD22  LEU  21          HD22      LEU  21  -9.572 -10.622  11.768
 1093   HD23  LEU  21          HD23      LEU  21  -8.398 -11.928  11.562
 1094    H    ASP  22           H        ASP  22  -9.436  -6.494  15.417
 1095    HA   ASP  22           HA       ASP  22 -10.777  -5.709  16.979
 1096    HB2  ASP  22           HB2      ASP  22 -11.892  -4.693  15.244
 1097    HB3  ASP  22           HB3      ASP  22 -12.715  -6.158  14.765
 1098    H    LEU  23           H        LEU  23  -9.868  -8.124  17.298
 1099    HA   LEU  23           HA       LEU  23 -11.269  -9.356  19.515
 1100    HB2  LEU  23           HB2      LEU  23 -12.433 -10.606  17.910
 1101    HB3  LEU  23           HB3      LEU  23 -11.125 -10.603  16.749
 1102    HG   LEU  23           HG       LEU  23 -10.537 -12.108  19.266
 1103   HD11  LEU  23          HD11      LEU  23 -12.884 -12.730  18.953
 1104   HD12  LEU  23          HD12      LEU  23 -12.563 -13.142  17.250
 1105   HD13  LEU  23          HD13      LEU  23 -11.809 -14.081  18.554
 1106   HD21  LEU  23          HD21      LEU  23  -8.993 -12.111  17.274
 1107   HD22  LEU  23          HD22      LEU  23  -9.579 -13.724  17.685
 1108   HD23  LEU  23          HD23      LEU  23 -10.280 -12.858  16.309
 1109    H    THR  24           H        THR  24  -9.631 -10.179  20.876
 1110    HA   THR  24           HA       THR  24  -6.923  -9.512  20.083
 1111    HB   THR  24           HB       THR  24  -6.207  -9.492  22.168
 1112    HG1  THR  24           HG1      THR  24  -7.160 -10.730  23.859
 1113   HG21  THR  24          HG21      THR  24  -8.174  -7.931  22.006
 1114   HG22  THR  24          HG22      THR  24  -9.182  -9.188  22.777
 1115   HG23  THR  24          HG23      THR  24  -7.814  -8.481  23.650
 1116    H    GLU  25           H        GLU  25  -5.008 -10.866  20.615
 1117    HA   GLU  25           HA       GLU  25  -5.124 -13.397  19.216
 1118    HB2  GLU  25           HB2      GLU  25  -2.768 -13.550  19.711
 1119    HB3  GLU  25           HB3      GLU  25  -3.164 -11.902  19.208
 1120    HG2  GLU  25           HG2      GLU  25  -3.185 -11.211  21.624
 1121    HG3  GLU  25           HG3      GLU  25  -2.709 -12.851  22.072
 1122    H    TYR  26           H        TYR  26  -6.147 -12.719  22.334
 1123    HA   TYR  26           HA       TYR  26  -6.416 -13.770  24.233
 1124    HB2  TYR  26           HB2      TYR  26  -7.237 -15.895  22.320
 1125    HB3  TYR  26           HB3      TYR  26  -7.392 -16.103  24.057
 1126    HD1  TYR  26           HD1      TYR  26  -8.646 -14.355  25.445
 1127    HD2  TYR  26           HD2      TYR  26  -8.932 -14.641  21.149
 1128    HE1  TYR  26           HE1      TYR  26 -10.786 -13.079  25.503
 1129    HE2  TYR  26           HE2      TYR  26 -11.087 -13.385  21.212
 1130    HH   TYR  26           HH       TYR  26 -12.538 -12.213  24.273
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -7.250   1.951   7.134
    2    H2   MET   1           H2       MET   1  -7.130   1.787   5.515
    3    H3   MET   1           H3       MET   1  -6.478   3.106   6.264
    4    HA   MET   1           HA       MET   1  -8.599   4.001   6.833
    5    HB2  MET   1           HB2      MET   1  -8.401   3.163   3.916
    6    HB3  MET   1           HB3      MET   1  -9.750   4.115   4.527
    7    HG2  MET   1           HG2      MET   1  -8.303   5.904   5.231
    8    HG3  MET   1           HG3      MET   1  -6.856   5.003   4.757
    9    HE1  MET   1           HE1      MET   1  -8.405   8.015   3.841
   10    HE2  MET   1           HE2      MET   1  -6.674   7.679   3.626
   11    HE3  MET   1           HE3      MET   1  -7.668   8.142   2.231
   12    HA   PRO   2           HA       PRO   2 -11.670   0.675   7.342
   13    HB2  PRO   2           HB2      PRO   2 -12.678   1.471   9.741
   14    HB3  PRO   2           HB3      PRO   2 -11.181   0.527   9.581
   15    HG2  PRO   2           HG2      PRO   2 -11.522   3.482  10.092
   16    HG3  PRO   2           HG3      PRO   2 -10.327   2.345  10.796
   17    HD2  PRO   2           HD2      PRO   2  -9.876   4.092   8.629
   18    HD3  PRO   2           HD3      PRO   2  -8.892   2.654   9.021
   19    H    SER   3           H        SER   3 -11.734   4.156   7.220
   20    HA   SER   3           HA       SER   3 -14.502   4.731   6.932
   21    HB2  SER   3           HB2      SER   3 -13.569   6.820   5.870
   22    HB3  SER   3           HB3      SER   3 -12.899   6.434   7.462
   23    HG   SER   3           HG       SER   3 -11.284   7.013   5.880
   24    H    GLU   4           H        GLU   4 -15.196   5.884   4.769
   25    HA   GLU   4           HA       GLU   4 -15.910   3.842   3.014
   26    HB2  GLU   4           HB2      GLU   4 -15.957   6.859   2.707
   27    HB3  GLU   4           HB3      GLU   4 -16.621   5.803   1.475
   28    HG2  GLU   4           HG2      GLU   4 -17.525   5.822   4.384
   29    HG3  GLU   4           HG3      GLU   4 -18.305   6.704   3.074
   30    H    LYS   5           H        LYS   5 -15.632   3.377   0.927
   31    HA   LYS   5           HA       LYS   5 -14.541   2.605  -0.872
   32    HB2  LYS   5           HB2      LYS   5 -12.566   4.895  -0.721
   33    HB3  LYS   5           HB3      LYS   5 -12.937   3.900  -2.112
   34    HG2  LYS   5           HG2      LYS   5 -14.792   5.939  -0.813
   35    HG3  LYS   5           HG3      LYS   5 -13.890   6.125  -2.315
   36    HD2  LYS   5           HD2      LYS   5 -15.207   4.268  -3.344
   37    HD3  LYS   5           HD3      LYS   5 -16.099   4.077  -1.835
   38    HE2  LYS   5           HE2      LYS   5 -17.485   5.327  -3.324
   39    HE3  LYS   5           HE3      LYS   5 -16.968   6.393  -2.023
   40    HZ1  LYS   5           HZ1      LYS   5 -15.750   6.333  -4.747
   41    HZ2  LYS   5           HZ2      LYS   5 -16.812   7.451  -4.227
   42    HZ3  LYS   5           HZ3      LYS   5 -15.335   7.380  -3.552
   43    H    THR   6           H        THR   6 -12.759   1.382  -1.605
   44    HA   THR   6           HA       THR   6 -11.472   0.063   0.621
   45    HB   THR   6           HB       THR   6 -12.497  -1.136  -1.274
   46    HG1  THR   6           HG1      THR   6 -10.968  -2.768  -0.962
   47   HG21  THR   6          HG21      THR   6  -9.785  -0.786  -2.627
   48   HG22  THR   6          HG22      THR   6 -11.183  -1.738  -3.183
   49   HG23  THR   6          HG23      THR   6 -11.278   0.024  -3.173
   50    H    PHE   7           H        PHE   7  -9.165  -0.770   0.440
   51    HA   PHE   7           HA       PHE   7  -7.668   1.425   1.364
   52    HB2  PHE   7           HB2      PHE   7  -5.804  -0.119   1.641
   53    HB3  PHE   7           HB3      PHE   7  -7.321  -0.817   2.178
   54    HD1  PHE   7           HD1      PHE   7  -4.762  -0.855  -0.505
   55    HD2  PHE   7           HD2      PHE   7  -8.251  -2.829   1.108
   56    HE1  PHE   7           HE1      PHE   7  -4.370  -2.801  -2.012
   57    HE2  PHE   7           HE2      PHE   7  -7.861  -4.747  -0.417
   58    HZ   PHE   7           HZ       PHE   7  -5.917  -4.738  -1.967
   59    H    LYS   8           H        LYS   8  -7.763   0.378  -1.966
   60    HA   LYS   8           HA       LYS   8  -5.227   1.414  -2.813
   61    HB2  LYS   8           HB2      LYS   8  -6.633  -0.145  -4.107
   62    HB3  LYS   8           HB3      LYS   8  -7.852   1.104  -4.335
   63    HG2  LYS   8           HG2      LYS   8  -6.459   0.745  -6.335
   64    HG3  LYS   8           HG3      LYS   8  -6.353   2.402  -5.743
   65    HD2  LYS   8           HD2      LYS   8  -4.139   1.917  -4.733
   66    HD3  LYS   8           HD3      LYS   8  -4.302   0.211  -5.154
   67    HE2  LYS   8           HE2      LYS   8  -2.781   1.305  -6.678
   68    HE3  LYS   8           HE3      LYS   8  -4.221   0.751  -7.544
   69    HZ1  LYS   8           HZ1      LYS   8  -3.532   3.031  -8.175
   70    HZ2  LYS   8           HZ2      LYS   8  -5.037   3.047  -7.556
   71    HZ3  LYS   8           HZ3      LYS   8  -3.771   3.571  -6.654
   72    H    GLN   9           H        GLN   9  -8.023   3.115  -1.790
   73    HA   GLN   9           HA       GLN   9  -7.572   5.703  -2.886
   74    HB2  GLN   9           HB2      GLN   9  -9.585   4.963  -1.698
   75    HB3  GLN   9           HB3      GLN   9  -8.672   4.782  -0.197
   76    HG2  GLN   9           HG2      GLN   9  -8.373   7.181   0.003
   77    HG3  GLN   9           HG3      GLN   9  -8.991   7.451  -1.633
   78   HE21  GLN   9          HE21      GLN   9 -11.742   6.214   1.215
   79   HE22  GLN   9          HE22      GLN   9 -10.035   5.929   1.494
   80    H    ARG  10           H        ARG  10  -5.774   3.959  -0.403
   81    HA   ARG  10           HA       ARG  10  -3.949   6.319  -0.063
   82    HB2  ARG  10           HB2      ARG  10  -5.321   6.148   1.878
   83    HB3  ARG  10           HB3      ARG  10  -4.982   4.425   2.073
   84    HG2  ARG  10           HG2      ARG  10  -2.693   4.860   2.718
   85    HG3  ARG  10           HG3      ARG  10  -2.822   6.570   2.249
   86    HD2  ARG  10           HD2      ARG  10  -4.469   6.964   4.051
   87    HD3  ARG  10           HD3      ARG  10  -4.472   5.251   4.445
   88    HE   ARG  10           HE       ARG  10  -2.542   5.501   5.677
   89   HH11  ARG  10          HH11      ARG  10  -2.798   8.452   3.764
   90   HH12  ARG  10          HH12      ARG  10  -1.594   9.257   4.729
   91   HH21  ARG  10          HH21      ARG  10  -0.622   8.211   6.415
   92   HH22  ARG  10          HH22      ARG  10  -1.104   6.583   6.861
   93    H    ARG  11           H        ARG  11  -4.006   2.693  -0.087
   94    HA   ARG  11           HA       ARG  11  -1.044   2.740   0.065
   95    HB2  ARG  11           HB2      ARG  11  -3.169   0.608   0.449
   96    HB3  ARG  11           HB3      ARG  11  -1.499   0.145   0.173
   97    HG2  ARG  11           HG2      ARG  11  -2.448   1.930   2.460
   98    HG3  ARG  11           HG3      ARG  11  -2.078   0.209   2.560
   99    HD2  ARG  11           HD2      ARG  11   0.262   0.886   1.586
  100    HD3  ARG  11           HD3      ARG  11  -0.143   2.514   2.121
  101    HE   ARG  11           HE       ARG  11   0.448   0.119   3.775
  102   HH11  ARG  11          HH11      ARG  11   1.081   0.401   5.823
  103   HH12  ARG  11          HH12      ARG  11   0.604   1.912   6.657
  104   HH21  ARG  11          HH21      ARG  11  -0.657   3.503   4.025
  105   HH22  ARG  11          HH22      ARG  11  -0.242   3.463   5.749
  106    H    THR  12           H        THR  12   0.351   1.673  -1.194
  107    HA   THR  12           HA       THR  12  -0.450   0.795  -3.900
  108    HB   THR  12           HB       THR  12   1.121   2.049  -5.024
  109    HG1  THR  12           HG1      THR  12   2.706   3.284  -4.007
  110   HG21  THR  12          HG21      THR  12   0.661   4.386  -4.607
  111   HG22  THR  12          HG22      THR  12  -0.826   3.466  -4.342
  112   HG23  THR  12          HG23      THR  12   0.127   4.045  -2.946
  113    H    PHE  13           H        PHE  13   1.365  -0.318  -5.124
  114    HA   PHE  13           HA       PHE  13   1.923  -2.670  -3.899
  115    HB2  PHE  13           HB2      PHE  13   1.970  -2.590  -6.202
  116    HB3  PHE  13           HB3      PHE  13   3.191  -1.331  -6.244
  117    HD1  PHE  13           HD1      PHE  13   2.614  -4.899  -6.170
  118    HD2  PHE  13           HD2      PHE  13   5.621  -1.843  -5.811
  119    HE1  PHE  13           HE1      PHE  13   4.383  -6.612  -6.552
  120    HE2  PHE  13           HE2      PHE  13   7.395  -3.548  -6.159
  121    HZ   PHE  13           HZ       PHE  13   6.782  -5.928  -6.530
  122    H    GLU  14           H        GLU  14   4.461  -0.160  -4.085
  123    HA   GLU  14           HA       GLU  14   6.400  -1.747  -2.677
  124    HB2  GLU  14           HB2      GLU  14   6.980   0.051  -4.165
  125    HB3  GLU  14           HB3      GLU  14   6.187   1.255  -3.166
  126    HG2  GLU  14           HG2      GLU  14   8.435  -0.457  -2.037
  127    HG3  GLU  14           HG3      GLU  14   8.808   0.858  -3.141
  128    H    GLN  15           H        GLN  15   3.909   0.504  -1.526
  129    HA   GLN  15           HA       GLN  15   4.794   0.537   1.251
  130    HB2  GLN  15           HB2      GLN  15   2.086   1.178   0.032
  131    HB3  GLN  15           HB3      GLN  15   2.616   1.585   1.664
  132    HG2  GLN  15           HG2      GLN  15   4.309   3.119   0.796
  133    HG3  GLN  15           HG3      GLN  15   3.942   2.653  -0.870
  134   HE21  GLN  15          HE21      GLN  15   2.140   5.825  -0.312
  135   HE22  GLN  15          HE22      GLN  15   3.823   5.314  -0.379
  136    H    ARG  16           H        ARG  16   2.499  -1.441  -0.640
  137    HA   ARG  16           HA       ARG  16   1.439  -2.973   1.600
  138    HB2  ARG  16           HB2      ARG  16   1.695  -3.659  -1.359
  139    HB3  ARG  16           HB3      ARG  16   0.737  -4.579  -0.201
  140    HG2  ARG  16           HG2      ARG  16   0.131  -1.631  -0.612
  141    HG3  ARG  16           HG3      ARG  16  -0.361  -2.801  -1.827
  142    HD2  ARG  16           HD2      ARG  16  -2.191  -2.371  -0.311
  143    HD3  ARG  16           HD3      ARG  16  -1.645  -4.046  -0.188
  144    HE   ARG  16           HE       ARG  16  -0.650  -1.975   1.750
  145   HH11  ARG  16          HH11      ARG  16  -2.708  -4.742   1.315
  146   HH12  ARG  16          HH12      ARG  16  -2.625  -5.227   2.992
  147   HH21  ARG  16          HH21      ARG  16  -0.560  -2.600   3.908
  148   HH22  ARG  16          HH22      ARG  16  -1.461  -4.001   4.427
  149    H    VAL  17           H        VAL  17   4.212  -3.541  -0.584
  150    HA   VAL  17           HA       VAL  17   5.099  -5.944   0.768
  151    HB   VAL  17           HB       VAL  17   6.627  -3.929  -0.930
  152   HG11  VAL  17          HG11      VAL  17   8.298  -5.741  -1.222
  153   HG12  VAL  17          HG12      VAL  17   8.237  -5.178   0.447
  154   HG13  VAL  17          HG13      VAL  17   7.458  -6.713   0.006
  155   HG21  VAL  17          HG21      VAL  17   6.401  -5.626  -2.696
  156   HG22  VAL  17          HG22      VAL  17   5.508  -6.694  -1.595
  157   HG23  VAL  17          HG23      VAL  17   4.796  -5.162  -2.126
  158    H    GLU  18           H        GLU  18   5.918  -2.453   1.326
  159    HA   GLU  18           HA       GLU  18   7.750  -2.850   3.443
  160    HB2  GLU  18           HB2      GLU  18   6.987  -0.648   2.224
  161    HB3  GLU  18           HB3      GLU  18   5.715  -0.605   3.440
  162    HG2  GLU  18           HG2      GLU  18   7.479   0.785   4.206
  163    HG3  GLU  18           HG3      GLU  18   7.447  -0.643   5.229
  164    H    ASP  19           H        ASP  19   4.175  -2.480   3.627
  165    HA   ASP  19           HA       ASP  19   3.761  -2.928   6.378
  166    HB2  ASP  19           HB2      ASP  19   2.047  -3.633   3.997
  167    HB3  ASP  19           HB3      ASP  19   1.537  -3.833   5.664
  168    H    VAL  20           H        VAL  20   3.954  -5.503   3.855
  169    HA   VAL  20           HA       VAL  20   3.543  -7.702   5.639
  170    HB   VAL  20           HB       VAL  20   5.221  -7.556   3.100
  171   HG11  VAL  20          HG11      VAL  20   4.995 -10.040   3.019
  172   HG12  VAL  20          HG12      VAL  20   6.003  -9.511   4.364
  173   HG13  VAL  20          HG13      VAL  20   4.327 -10.022   4.663
  174   HG21  VAL  20          HG21      VAL  20   2.430  -8.662   3.642
  175   HG22  VAL  20          HG22      VAL  20   2.802  -7.157   2.779
  176   HG23  VAL  20          HG23      VAL  20   3.304  -8.698   2.084
  177    H    ARG  21           H        ARG  21   6.639  -6.100   4.690
  178    HA   ARG  21           HA       ARG  21   8.288  -7.760   6.384
  179    HB2  ARG  21           HB2      ARG  21   8.704  -5.055   5.064
  180    HB3  ARG  21           HB3      ARG  21   9.899  -5.744   6.173
  181    HG2  ARG  21           HG2      ARG  21   9.976  -7.817   4.775
  182    HG3  ARG  21           HG3      ARG  21   8.928  -7.035   3.582
  183    HD2  ARG  21           HD2      ARG  21  11.552  -5.798   4.537
  184    HD3  ARG  21           HD3      ARG  21  11.505  -6.986   3.241
  185    HE   ARG  21           HE       ARG  21  10.459  -5.500   1.796
  186   HH11  ARG  21          HH11      ARG  21  10.102  -3.416   1.011
  187   HH12  ARG  21          HH12      ARG  21  10.110  -2.075   2.143
  188   HH21  ARG  21          HH21      ARG  21  10.619  -2.307   4.205
  189   HH22  ARG  21          HH22      ARG  21  11.075  -3.864   4.852
  190    H    LEU  22           H        LEU  22   7.095  -4.428   7.015
  191    HA   LEU  22           HA       LEU  22   8.331  -4.371   9.599
  192    HB2  LEU  22           HB2      LEU  22   7.417  -2.241   9.862
  193    HB3  LEU  22           HB3      LEU  22   7.744  -2.425   8.154
  194    HG   LEU  22           HG       LEU  22   5.138  -3.149   8.117
  195   HD11  LEU  22          HD11      LEU  22   5.284  -1.163  10.428
  196   HD12  LEU  22          HD12      LEU  22   3.811  -1.760   9.636
  197   HD13  LEU  22          HD13      LEU  22   4.811  -2.858  10.594
  198   HD21  LEU  22          HD21      LEU  22   6.140  -0.280   8.262
  199   HD22  LEU  22          HD22      LEU  22   6.146  -1.326   6.831
  200   HD23  LEU  22          HD23      LEU  22   4.611  -0.818   7.527
  201    H    ILE  23           H        ILE  23   5.009  -5.356   8.651
  202    HA   ILE  23           HA       ILE  23   4.169  -5.519  11.402
  203    HB   ILE  23           HB       ILE  23   2.812  -5.295   9.105
  204   HG12  ILE  23          HG12      ILE  23   0.777  -6.034  10.415
  205   HG13  ILE  23          HG13      ILE  23   1.891  -6.392  11.743
  206   HG21  ILE  23          HG21      ILE  23   3.263  -7.579   8.273
  207   HG22  ILE  23          HG22      ILE  23   2.429  -8.257   9.693
  208   HG23  ILE  23          HG23      ILE  23   1.547  -7.265   8.512
  209   HD11  ILE  23          HD11      ILE  23   1.474  -3.715  10.313
  210   HD12  ILE  23          HD12      ILE  23   0.965  -4.122  11.967
  211   HD13  ILE  23          HD13      ILE  23   2.687  -3.971  11.567
  212    H    ARG  24           H        ARG  24   5.465  -7.956   9.132
  213    HA   ARG  24           HA       ARG  24   5.294 -10.166  11.005
  214    HB2  ARG  24           HB2      ARG  24   5.484 -10.256   8.496
  215    HB3  ARG  24           HB3      ARG  24   7.160  -9.764   8.611
  216    HG2  ARG  24           HG2      ARG  24   5.955 -12.306   9.809
  217    HG3  ARG  24           HG3      ARG  24   6.708 -12.207   8.228
  218    HD2  ARG  24           HD2      ARG  24   8.059 -12.004  10.919
  219    HD3  ARG  24           HD3      ARG  24   8.287 -13.215   9.668
  220    HE   ARG  24           HE       ARG  24   9.172 -11.254   8.227
  221   HH11  ARG  24          HH11      ARG  24  11.659  -9.444   9.835
  222   HH12  ARG  24          HH12      ARG  24  10.884  -9.730   8.277
  223   HH21  ARG  24          HH21      ARG  24   9.930 -11.613  11.664
  224   HH22  ARG  24          HH22      ARG  24  11.205 -10.393  11.521
  225    H    GLU  25           H        GLU  25   7.824  -7.710  10.359
  226    HA   GLU  25           HA       GLU  25   9.720  -8.821  12.200
  227    HB2  GLU  25           HB2      GLU  25  10.245  -7.211  10.365
  228    HB3  GLU  25           HB3      GLU  25   9.424  -5.947  11.285
  229    HG2  GLU  25           HG2      GLU  25  11.764  -5.694  11.613
  230    HG3  GLU  25           HG3      GLU  25  11.076  -6.234  13.133
  231    H    GLN  26           H        GLN  26   7.251  -6.225  12.797
  232    HA   GLN  26           HA       GLN  26   8.032  -6.056  15.580
  233    HB2  GLN  26           HB2      GLN  26   6.391  -4.455  15.851
  234    HB3  GLN  26           HB3      GLN  26   6.915  -4.259  14.185
  235    HG2  GLN  26           HG2      GLN  26   4.851  -5.642  13.520
  236    HG3  GLN  26           HG3      GLN  26   4.343  -5.546  15.206
  237   HE21  GLN  26          HE21      GLN  26   2.489  -2.786  13.813
  238   HE22  GLN  26          HE22      GLN  26   2.365  -4.439  14.410
  239    H    HIS  27           H        HIS  27   5.648  -8.068  13.877
  240    HA   HIS  27           HA       HIS  27   5.184  -9.625  16.391
  241    HB2  HIS  27           HB2      HIS  27   3.038  -8.646  14.469
  242    HB3  HIS  27           HB3      HIS  27   2.783  -9.813  15.770
  243    HD1  HIS  27           HD1      HIS  27   4.360  -8.047  18.083
  244    HD2  HIS  27           HD2      HIS  27   1.168  -7.079  15.492
  245    HE1  HIS  27           HE1      HIS  27   2.866  -6.373  19.347
  246    HE2  HIS  27           HE2      HIS  27   0.895  -5.834  17.777
  247    HA   PRO  28           HA       PRO  28   6.505 -12.391  12.932
  248    HB2  PRO  28           HB2      PRO  28   7.339 -13.977  15.368
  249    HB3  PRO  28           HB3      PRO  28   8.169 -13.822  13.791
  250    HG2  PRO  28           HG2      PRO  28   9.027 -12.360  15.884
  251    HG3  PRO  28           HG3      PRO  28   8.826 -11.559  14.288
  252    HD2  PRO  28           HD2      PRO  28   6.935 -11.540  16.658
  253    HD3  PRO  28           HD3      PRO  28   7.479 -10.178  15.633
  254    H    THR  29           H        THR  29   4.505 -13.155  15.764
  255    HA   THR  29           HA       THR  29   3.371 -15.578  14.631
  256    HB   THR  29           HB       THR  29   2.036 -15.763  16.530
  257    HG1  THR  29           HG1      THR  29   1.721 -14.003  17.939
  258   HG21  THR  29          HG21      THR  29   3.510 -15.548  18.415
  259   HG22  THR  29          HG22      THR  29   4.511 -15.988  17.023
  260   HG23  THR  29          HG23      THR  29   4.494 -14.309  17.611
  261    H    LYS  30           H        LYS  30   2.728 -12.360  13.830
  262    HA   LYS  30           HA       LYS  30  -0.148 -12.871  13.207
  263    HB2  LYS  30           HB2      LYS  30   1.522 -10.399  13.601
  264    HB3  LYS  30           HB3      LYS  30   0.192 -10.333  12.475
  265    HG2  LYS  30           HG2      LYS  30  -0.472  -9.523  14.694
  266    HG3  LYS  30           HG3      LYS  30  -1.439 -10.894  14.162
  267    HD2  LYS  30           HD2      LYS  30  -0.202 -12.409  15.634
  268    HD3  LYS  30           HD3      LYS  30   0.880 -11.123  16.146
  269    HE2  LYS  30           HE2      LYS  30  -2.159 -11.049  16.564
  270    HE3  LYS  30           HE3      LYS  30  -1.035 -11.789  17.709
  271    HZ1  LYS  30           HZ1      LYS  30   0.080  -9.553  17.881
  272    HZ2  LYS  30           HZ2      LYS  30  -1.166  -8.862  17.041
  273    HZ3  LYS  30           HZ3      LYS  30  -1.435  -9.584  18.455
  274    H    ILE  31           H        ILE  31  -1.026 -12.652  11.259
  275    HA   ILE  31           HA       ILE  31   0.759 -13.110   8.916
  276    HB   ILE  31           HB       ILE  31  -1.907 -14.359   9.655
  277   HG12  ILE  31          HG12      ILE  31  -0.127 -15.176  11.137
  278   HG13  ILE  31          HG13      ILE  31  -0.714 -16.423  10.059
  279   HG21  ILE  31          HG21      ILE  31  -0.071 -14.858   7.288
  280   HG22  ILE  31          HG22      ILE  31  -1.417 -15.922   7.767
  281   HG23  ILE  31          HG23      ILE  31  -1.749 -14.269   7.249
  282   HD11  ILE  31          HD11      ILE  31   1.905 -14.904   9.678
  283   HD12  ILE  31          HD12      ILE  31   1.723 -16.538  10.324
  284   HD13  ILE  31          HD13      ILE  31   1.303 -16.210   8.637
  285    HA   PRO  32           HA       PRO  32  -1.580  -9.590   7.368
  286    HB2  PRO  32           HB2      PRO  32  -0.208  -9.121   5.060
  287    HB3  PRO  32           HB3      PRO  32   0.519  -8.887   6.671
  288    HG2  PRO  32           HG2      PRO  32   0.777 -11.280   4.819
  289    HG3  PRO  32           HG3      PRO  32   2.086 -10.371   5.652
  290    HD2  PRO  32           HD2      PRO  32   1.012 -12.683   6.650
  291    HD3  PRO  32           HD3      PRO  32   1.597 -11.356   7.706
  292    H    VAL  33           H        VAL  33  -3.659  -9.709   6.569
  293    HA   VAL  33           HA       VAL  33  -4.124 -11.110   4.009
  294    HB   VAL  33           HB       VAL  33  -5.763 -12.536   4.623
  295   HG11  VAL  33          HG11      VAL  33  -3.629 -13.300   5.715
  296   HG12  VAL  33          HG12      VAL  33  -4.135 -12.504   7.212
  297   HG13  VAL  33          HG13      VAL  33  -5.082 -13.853   6.559
  298   HG21  VAL  33          HG21      VAL  33  -7.004 -12.516   6.768
  299   HG22  VAL  33          HG22      VAL  33  -6.163 -11.010   7.204
  300   HG23  VAL  33          HG23      VAL  33  -7.282 -11.067   5.806
  301    H    ILE  34           H        ILE  34  -6.072 -10.609   2.831
  302    HA   ILE  34           HA       ILE  34  -7.186  -7.884   3.471
  303    HB   ILE  34           HB       ILE  34  -6.200  -9.062   0.883
  304   HG12  ILE  34          HG12      ILE  34  -5.849  -6.249   2.007
  305   HG13  ILE  34          HG13      ILE  34  -4.806  -7.592   2.483
  306   HG21  ILE  34          HG21      ILE  34  -8.125  -6.704   1.076
  307   HG22  ILE  34          HG22      ILE  34  -7.233  -7.191  -0.378
  308   HG23  ILE  34          HG23      ILE  34  -8.447  -8.267   0.277
  309   HD11  ILE  34          HD11      ILE  34  -4.232  -7.972   0.073
  310   HD12  ILE  34          HD12      ILE  34  -5.101  -6.465  -0.316
  311   HD13  ILE  34          HD13      ILE  34  -3.685  -6.424   0.735
  312    H    ILE  35           H        ILE  35  -9.404  -7.531   3.060
  313    HA   ILE  35           HA       ILE  35 -10.964  -9.795   1.999
  314    HB   ILE  35           HB       ILE  35 -11.198 -10.275   4.269
  315   HG12  ILE  35          HG12      ILE  35 -13.724  -8.752   3.480
  316   HG13  ILE  35          HG13      ILE  35 -13.209 -10.264   2.708
  317   HG21  ILE  35          HG21      ILE  35 -12.052  -7.392   4.819
  318   HG22  ILE  35          HG22      ILE  35 -12.065  -8.720   5.975
  319   HG23  ILE  35          HG23      ILE  35 -10.527  -8.145   5.332
  320   HD11  ILE  35          HD11      ILE  35 -14.862 -10.774   4.354
  321   HD12  ILE  35          HD12      ILE  35 -13.295 -11.395   4.923
  322   HD13  ILE  35          HD13      ILE  35 -13.982  -9.905   5.621
  323    H    GLU  36           H        GLU  36 -11.242  -8.765   0.114
  324    HA   GLU  36           HA       GLU  36 -12.414  -6.044   0.067
  325    HB2  GLU  36           HB2      GLU  36 -10.561  -6.684  -1.428
  326    HB3  GLU  36           HB3      GLU  36 -11.599  -7.903  -2.188
  327    HG2  GLU  36           HG2      GLU  36 -13.149  -6.129  -2.930
  328    HG3  GLU  36           HG3      GLU  36 -12.182  -4.914  -2.090
  329    H    ARG  37           H        ARG  37 -14.603  -5.658  -0.054
  330    HA   ARG  37           HA       ARG  37 -16.547  -7.809  -0.488
  331    HB2  ARG  37           HB2      ARG  37 -17.046  -5.782   0.873
  332    HB3  ARG  37           HB3      ARG  37 -16.858  -4.769  -0.556
  333    HG2  ARG  37           HG2      ARG  37 -18.818  -5.804  -1.609
  334    HG3  ARG  37           HG3      ARG  37 -18.897  -7.033  -0.342
  335    HD2  ARG  37           HD2      ARG  37 -20.619  -5.379   0.021
  336    HD3  ARG  37           HD3      ARG  37 -19.438  -5.313   1.337
  337    HE   ARG  37           HE       ARG  37 -18.573  -3.391  -0.507
  338   HH11  ARG  37          HH11      ARG  37 -21.475  -3.810   1.436
  339   HH12  ARG  37          HH12      ARG  37 -21.803  -2.096   1.453
  340   HH21  ARG  37          HH21      ARG  37 -19.024  -1.197  -0.353
  341   HH22  ARG  37          HH22      ARG  37 -20.426  -0.674   0.516
  342    H    TYR  38           H        TYR  38 -17.235  -8.599  -2.446
  343    HA   TYR  38           HA       TYR  38 -15.731  -8.077  -4.681
  344    HB2  TYR  38           HB2      TYR  38 -16.676 -10.160  -4.612
  345    HB3  TYR  38           HB3      TYR  38 -18.291  -9.524  -4.345
  346    HD1  TYR  38           HD1      TYR  38 -19.727 -10.214  -6.028
  347    HD2  TYR  38           HD2      TYR  38 -15.705  -9.067  -7.093
  348    HE1  TYR  38           HE1      TYR  38 -20.334 -10.309  -8.435
  349    HE2  TYR  38           HE2      TYR  38 -16.311  -9.182  -9.495
  350    HH   TYR  38           HH       TYR  38 -17.980  -9.588 -11.042
  351    H    LYS  39           H        LYS  39 -15.536  -6.803  -6.358
  352    HA   LYS  39           HA       LYS  39 -16.521  -4.241  -6.341
  353    HB2  LYS  39           HB2      LYS  39 -15.509  -5.851  -8.727
  354    HB3  LYS  39           HB3      LYS  39 -15.731  -4.096  -8.727
  355    HG2  LYS  39           HG2      LYS  39 -14.119  -3.872  -6.856
  356    HG3  LYS  39           HG3      LYS  39 -13.837  -5.625  -6.888
  357    HD2  LYS  39           HD2      LYS  39 -13.070  -5.459  -9.250
  358    HD3  LYS  39           HD3      LYS  39 -13.333  -3.703  -9.209
  359    HE2  LYS  39           HE2      LYS  39 -11.689  -3.502  -7.349
  360    HE3  LYS  39           HE3      LYS  39 -11.432  -5.249  -7.386
  361    HZ1  LYS  39           HZ1      LYS  39  -9.711  -4.096  -8.657
  362    HZ2  LYS  39           HZ2      LYS  39 -10.603  -5.002  -9.685
  363    HZ3  LYS  39           HZ3      LYS  39 -10.810  -3.383  -9.626
  364    H    GLY  40           H        GLY  40 -17.950  -6.928  -8.169
  365    HA2  GLY  40           HA2      GLY  40 -19.984  -5.271  -9.488
  366    HA3  GLY  40           HA3      GLY  40 -19.763  -7.012  -9.621
  367    H    GLU  41           H        GLU  41 -19.874  -6.463  -6.320
  368    HA   GLU  41           HA       GLU  41 -22.827  -6.583  -6.085
  369    HB2  GLU  41           HB2      GLU  41 -21.842  -8.878  -6.681
  370    HB3  GLU  41           HB3      GLU  41 -21.108  -8.862  -5.074
  371    HG2  GLU  41           HG2      GLU  41 -23.355  -8.720  -4.045
  372    HG3  GLU  41           HG3      GLU  41 -24.092  -8.575  -5.641
  373    H    LYS  42           H        LYS  42 -21.726  -4.471  -5.151
  374    HA   LYS  42           HA       LYS  42 -20.761  -4.630  -2.414
  375    HB2  LYS  42           HB2      LYS  42 -21.729  -2.311  -4.124
  376    HB3  LYS  42           HB3      LYS  42 -21.064  -2.117  -2.496
  377    HG2  LYS  42           HG2      LYS  42 -18.930  -3.103  -3.178
  378    HG3  LYS  42           HG3      LYS  42 -19.545  -3.405  -4.807
  379    HD2  LYS  42           HD2      LYS  42 -19.852  -1.002  -5.186
  380    HD3  LYS  42           HD3      LYS  42 -19.304  -0.641  -3.536
  381    HE2  LYS  42           HE2      LYS  42 -17.062  -1.536  -4.030
  382    HE3  LYS  42           HE3      LYS  42 -17.597  -2.061  -5.635
  383    HZ1  LYS  42           HZ1      LYS  42 -17.485   0.780  -4.736
  384    HZ2  LYS  42           HZ2      LYS  42 -16.410   0.068  -5.739
  385    HZ3  LYS  42           HZ3      LYS  42 -17.954   0.286  -6.224
  386    H    GLN  43           H        GLN  43 -23.117  -6.116  -2.679
  387    HA   GLN  43           HA       GLN  43 -25.418  -4.667  -1.578
  388    HB2  GLN  43           HB2      GLN  43 -24.898  -7.610  -2.168
  389    HB3  GLN  43           HB3      GLN  43 -26.438  -6.992  -1.600
  390    HG2  GLN  43           HG2      GLN  43 -25.169  -5.987  -4.190
  391    HG3  GLN  43           HG3      GLN  43 -26.150  -7.440  -4.106
  392   HE21  GLN  43          HE21      GLN  43 -28.857  -5.287  -4.917
  393   HE22  GLN  43          HE22      GLN  43 -27.749  -6.510  -5.526
  394    H    LEU  44           H        LEU  44 -23.168  -7.196  -0.368
  395    HA   LEU  44           HA       LEU  44 -24.526  -7.490   2.151
  396    HB2  LEU  44           HB2      LEU  44 -21.692  -8.271   1.345
  397    HB3  LEU  44           HB3      LEU  44 -22.508  -8.811   2.798
  398    HG   LEU  44           HG       LEU  44 -23.219  -9.534  -0.074
  399   HD11  LEU  44          HD11      LEU  44 -22.708 -11.808   0.725
  400   HD12  LEU  44          HD12      LEU  44 -21.310 -10.731   0.920
  401   HD13  LEU  44          HD13      LEU  44 -22.306 -11.175   2.329
  402   HD21  LEU  44          HD21      LEU  44 -24.950 -11.029   0.914
  403   HD22  LEU  44          HD22      LEU  44 -24.708 -10.254   2.493
  404   HD23  LEU  44          HD23      LEU  44 -25.347  -9.321   1.115
  405    HA   PRO  45           HA       PRO  45 -22.897  -4.122   4.513
  406    HB2  PRO  45           HB2      PRO  45 -22.851  -5.120   7.081
  407    HB3  PRO  45           HB3      PRO  45 -24.350  -4.701   6.206
  408    HG2  PRO  45           HG2      PRO  45 -23.063  -7.440   6.472
  409    HG3  PRO  45           HG3      PRO  45 -24.775  -6.985   6.747
  410    HD2  PRO  45           HD2      PRO  45 -23.977  -8.057   4.399
  411    HD3  PRO  45           HD3      PRO  45 -25.185  -6.735   4.429
  412    H    VAL  46           H        VAL  46 -20.895  -3.333   4.740
  413    HA   VAL  46           HA       VAL  46 -18.607  -5.204   5.060
  414    HB   VAL  46           HB       VAL  46 -18.883  -3.690   3.034
  415   HG11  VAL  46          HG11      VAL  46 -19.282  -1.552   4.284
  416   HG12  VAL  46          HG12      VAL  46 -17.608  -1.630   4.883
  417   HG13  VAL  46          HG13      VAL  46 -17.923  -1.472   3.149
  418   HG21  VAL  46          HG21      VAL  46 -16.869  -5.015   3.494
  419   HG22  VAL  46          HG22      VAL  46 -16.474  -3.452   2.758
  420   HG23  VAL  46          HG23      VAL  46 -16.233  -3.707   4.498
  421    H    LEU  47           H        LEU  47 -20.171  -2.796   6.899
  422    HA   LEU  47           HA       LEU  47 -19.652  -1.711   8.818
  423    HB2  LEU  47           HB2      LEU  47 -20.387  -4.179   9.213
  424    HB3  LEU  47           HB3      LEU  47 -18.721  -4.442   9.707
  425    HG   LEU  47           HG       LEU  47 -19.101  -2.438  11.364
  426   HD11  LEU  47          HD11      LEU  47 -21.220  -1.601  10.422
  427   HD12  LEU  47          HD12      LEU  47 -21.986  -3.176  10.701
  428   HD13  LEU  47          HD13      LEU  47 -21.464  -2.174  12.074
  429   HD21  LEU  47          HD21      LEU  47 -20.134  -3.948  13.022
  430   HD22  LEU  47          HD22      LEU  47 -20.579  -5.071  11.718
  431   HD23  LEU  47          HD23      LEU  47 -18.871  -4.764  12.086
  432    H    ASP  48           H        ASP  48 -17.662  -0.933   7.310
  433    HA   ASP  48           HA       ASP  48 -15.640  -0.058   7.232
  434    HB2  ASP  48           HB2      ASP  48 -16.027  -0.052  10.204
  435    HB3  ASP  48           HB3      ASP  48 -14.640   0.679   9.445
  436    H    LYS  49           H        LYS  49 -15.617  -3.082   7.248
  437    HA   LYS  49           HA       LYS  49 -12.741  -3.598   7.833
  438    HB2  LYS  49           HB2      LYS  49 -15.090  -5.298   6.950
  439    HB3  LYS  49           HB3      LYS  49 -13.458  -5.848   6.659
  440    HG2  LYS  49           HG2      LYS  49 -14.316  -6.861   8.631
  441    HG3  LYS  49           HG3      LYS  49 -12.910  -5.870   8.998
  442    HD2  LYS  49           HD2      LYS  49 -15.702  -4.773   9.442
  443    HD3  LYS  49           HD3      LYS  49 -15.009  -5.919  10.594
  444    HE2  LYS  49           HE2      LYS  49 -13.060  -4.489  10.991
  445    HE3  LYS  49           HE3      LYS  49 -13.577  -3.352   9.749
  446    HZ1  LYS  49           HZ1      LYS  49 -15.073  -3.860  12.264
  447    HZ2  LYS  49           HZ2      LYS  49 -14.126  -2.559  11.957
  448    HZ3  LYS  49           HZ3      LYS  49 -15.515  -2.796  11.083
  449    H    THR  50           H        THR  50 -11.237  -4.246   6.338
  450    HA   THR  50           HA       THR  50 -11.664  -4.157   3.405
  451    HB   THR  50           HB       THR  50  -9.648  -2.524   3.205
  452    HG1  THR  50           HG1      THR  50  -9.702  -0.963   5.016
  453   HG21  THR  50          HG21      THR  50 -12.129  -1.147   4.254
  454   HG22  THR  50          HG22      THR  50 -10.921  -0.526   3.123
  455   HG23  THR  50          HG23      THR  50 -11.997  -1.840   2.612
  456    H    LYS  51           H        LYS  51  -9.245  -3.996   6.035
  457    HA   LYS  51           HA       LYS  51  -7.701  -6.284   4.866
  458    HB2  LYS  51           HB2      LYS  51  -5.644  -5.116   5.674
  459    HB3  LYS  51           HB3      LYS  51  -6.522  -4.249   4.410
  460    HG2  LYS  51           HG2      LYS  51  -7.582  -2.805   6.163
  461    HG3  LYS  51           HG3      LYS  51  -6.604  -3.589   7.394
  462    HD2  LYS  51           HD2      LYS  51  -5.381  -2.163   4.984
  463    HD3  LYS  51           HD3      LYS  51  -5.913  -1.298   6.420
  464    HE2  LYS  51           HE2      LYS  51  -4.407  -2.907   7.789
  465    HE3  LYS  51           HE3      LYS  51  -3.706  -3.399   6.237
  466    HZ1  LYS  51           HZ1      LYS  51  -3.723  -0.641   7.420
  467    HZ2  LYS  51           HZ2      LYS  51  -2.395  -1.586   7.197
  468    HZ3  LYS  51           HZ3      LYS  51  -3.170  -0.949   5.896
  469    H    PHE  52           H        PHE  52  -6.431  -7.532   6.378
  470    HA   PHE  52           HA       PHE  52  -7.095  -7.335   9.197
  471    HB2  PHE  52           HB2      PHE  52  -8.041  -9.637   7.572
  472    HB3  PHE  52           HB3      PHE  52  -7.572  -9.901   9.237
  473    HD1  PHE  52           HD1      PHE  52 -10.356  -9.755   7.422
  474    HD2  PHE  52           HD2      PHE  52  -8.621  -7.653  10.760
  475    HE1  PHE  52           HE1      PHE  52 -12.625  -9.210   8.285
  476    HE2  PHE  52           HE2      PHE  52 -10.889  -7.113  11.599
  477    HZ   PHE  52           HZ       PHE  52 -12.883  -7.967  10.408
  478    H    LEU  53           H        LEU  53  -5.900  -8.579  10.704
  479    HA   LEU  53           HA       LEU  53  -3.292  -9.604   9.706
  480    HB2  LEU  53           HB2      LEU  53  -3.060  -7.196  10.348
  481    HB3  LEU  53           HB3      LEU  53  -3.680  -7.600  11.957
  482    HG   LEU  53           HG       LEU  53  -1.705  -9.165  12.224
  483   HD11  LEU  53          HD11      LEU  53  -1.017  -9.425   9.868
  484   HD12  LEU  53          HD12      LEU  53  -0.777  -7.671   9.712
  485   HD13  LEU  53          HD13      LEU  53   0.284  -8.633  10.761
  486   HD21  LEU  53          HD21      LEU  53  -0.131  -7.332  12.758
  487   HD22  LEU  53          HD22      LEU  53  -1.103  -6.215  11.779
  488   HD23  LEU  53          HD23      LEU  53  -1.778  -6.928  13.264
  489    H    VAL  54           H        VAL  54  -3.575 -11.688  10.201
  490    HA   VAL  54           HA       VAL  54  -5.251 -12.388  12.539
  491    HB   VAL  54           HB       VAL  54  -4.478 -14.315  10.373
  492   HG11  VAL  54          HG11      VAL  54  -6.949 -14.113  12.152
  493   HG12  VAL  54          HG12      VAL  54  -6.562 -15.412  11.000
  494   HG13  VAL  54          HG13      VAL  54  -5.561 -15.189  12.441
  495   HG21  VAL  54          HG21      VAL  54  -5.469 -12.415   9.177
  496   HG22  VAL  54          HG22      VAL  54  -6.584 -13.768   9.217
  497   HG23  VAL  54          HG23      VAL  54  -6.836 -12.391  10.316
  498    HA   PRO  55           HA       PRO  55  -1.729 -14.233  14.684
  499    HB2  PRO  55           HB2      PRO  55  -3.843 -15.797  16.150
  500    HB3  PRO  55           HB3      PRO  55  -2.467 -14.867  16.808
  501    HG2  PRO  55           HG2      PRO  55  -5.001 -13.888  16.928
  502    HG3  PRO  55           HG3      PRO  55  -3.620 -12.810  16.538
  503    HD2  PRO  55           HD2      PRO  55  -5.600 -14.089  14.635
  504    HD3  PRO  55           HD3      PRO  55  -4.992 -12.404  14.684
  505    H    ASP  56           H        ASP  56  -0.548 -16.063  14.136
  506    HA   ASP  56           HA       ASP  56  -1.365 -17.859  12.154
  507    HB2  ASP  56           HB2      ASP  56   0.652 -19.160  12.751
  508    HB3  ASP  56           HB3      ASP  56   0.928 -17.436  12.547
  509    H    HIS  57           H        HIS  57  -1.971 -18.146  15.537
  510    HA   HIS  57           HA       HIS  57  -2.612 -20.935  15.769
  511    HB2  HIS  57           HB2      HIS  57  -3.488 -18.437  17.289
  512    HB3  HIS  57           HB3      HIS  57  -4.007 -20.051  17.729
  513    HD1  HIS  57           HD1      HIS  57  -0.306 -18.893  16.963
  514    HD2  HIS  57           HD2      HIS  57  -2.879 -20.400  19.973
  515    HE1  HIS  57           HE1      HIS  57   1.139 -19.271  19.046
  516    HE2  HIS  57           HE2      HIS  57  -0.438 -20.165  20.887
  517    H    VAL  58           H        VAL  58  -4.399 -18.375  14.201
  518    HA   VAL  58           HA       VAL  58  -7.068 -19.497  14.614
  519    HB   VAL  58           HB       VAL  58  -6.041 -17.358  12.734
  520   HG11  VAL  58          HG11      VAL  58  -8.133 -18.189  11.811
  521   HG12  VAL  58          HG12      VAL  58  -8.915 -18.099  13.410
  522   HG13  VAL  58          HG13      VAL  58  -8.415 -16.623  12.562
  523   HG21  VAL  58          HG21      VAL  58  -5.835 -16.724  15.111
  524   HG22  VAL  58          HG22      VAL  58  -7.157 -15.816  14.365
  525   HG23  VAL  58          HG23      VAL  58  -7.521 -17.202  15.405
  526    H    ASN  59           H        ASN  59  -8.006 -21.117  13.477
  527    HA   ASN  59           HA       ASN  59  -6.814 -22.193  11.013
  528    HB2  ASN  59           HB2      ASN  59  -9.328 -22.850  12.600
  529    HB3  ASN  59           HB3      ASN  59  -8.897 -23.663  11.102
  530   HD21  ASN  59          HD21      ASN  59  -7.617 -25.682  13.976
  531   HD22  ASN  59          HD22      ASN  59  -9.201 -25.052  13.555
  532    H    MET  60           H        MET  60  -7.796 -22.164   8.905
  533    HA   MET  60           HA       MET  60  -8.881 -19.665   8.141
  534    HB2  MET  60           HB2      MET  60  -7.669 -21.182   6.658
  535    HB3  MET  60           HB3      MET  60  -8.975 -22.362   6.735
  536    HG2  MET  60           HG2      MET  60  -9.108 -21.125   4.649
  537    HG3  MET  60           HG3      MET  60 -10.511 -20.765   5.648
  538    HE1  MET  60           HE1      MET  60 -11.349 -18.645   4.640
  539    HE2  MET  60           HE2      MET  60 -10.315 -17.382   3.950
  540    HE3  MET  60           HE3      MET  60 -10.248 -19.034   3.302
  541    H    SER  61           H        SER  61 -10.645 -22.680   8.915
  542    HA   SER  61           HA       SER  61 -13.306 -21.805   8.434
  543    HB2  SER  61           HB2      SER  61 -13.847 -23.585  10.124
  544    HB3  SER  61           HB3      SER  61 -12.781 -24.121   8.811
  545    HG   SER  61           HG       SER  61 -12.113 -24.723  11.025
  546    H    GLU  62           H        GLU  62 -11.213 -21.350  11.304
  547    HA   GLU  62           HA       GLU  62 -13.263 -19.996  12.859
  548    HB2  GLU  62           HB2      GLU  62 -11.360 -21.202  13.886
  549    HB3  GLU  62           HB3      GLU  62 -10.244 -20.052  13.170
  550    HG2  GLU  62           HG2      GLU  62 -10.511 -19.456  15.447
  551    HG3  GLU  62           HG3      GLU  62 -11.282 -18.208  14.484
  552    H    LEU  63           H        LEU  63 -10.639 -18.833  10.674
  553    HA   LEU  63           HA       LEU  63 -11.156 -16.043  11.069
  554    HB2  LEU  63           HB2      LEU  63  -9.148 -16.879   9.901
  555    HB3  LEU  63           HB3      LEU  63 -10.161 -17.468   8.581
  556    HG   LEU  63           HG       LEU  63 -10.911 -15.083   8.156
  557   HD11  LEU  63          HD11      LEU  63  -8.683 -14.461  10.149
  558   HD12  LEU  63          HD12      LEU  63  -9.444 -13.269   9.073
  559   HD13  LEU  63          HD13      LEU  63 -10.395 -14.055  10.338
  560   HD21  LEU  63          HD21      LEU  63  -7.919 -15.527   8.006
  561   HD22  LEU  63          HD22      LEU  63  -9.121 -16.184   6.866
  562   HD23  LEU  63          HD23      LEU  63  -8.894 -14.433   6.985
  563    H    ILE  64           H        ILE  64 -12.566 -18.334   8.692
  564    HA   ILE  64           HA       ILE  64 -14.480 -16.615   7.478
  565    HB   ILE  64           HB       ILE  64 -14.378 -19.564   8.077
  566   HG12  ILE  64          HG12      ILE  64 -14.563 -18.322   5.350
  567   HG13  ILE  64          HG13      ILE  64 -13.027 -18.340   6.229
  568   HG21  ILE  64          HG21      ILE  64 -16.774 -19.142   8.194
  569   HG22  ILE  64          HG22      ILE  64 -16.712 -18.176   6.694
  570   HG23  ILE  64          HG23      ILE  64 -16.414 -19.925   6.664
  571   HD11  ILE  64          HD11      ILE  64 -14.628 -20.855   5.655
  572   HD12  ILE  64          HD12      ILE  64 -13.274 -20.257   4.666
  573   HD13  ILE  64          HD13      ILE  64 -13.002 -20.749   6.341
  574    H    LYS  65           H        LYS  65 -14.751 -18.399  10.564
  575    HA   LYS  65           HA       LYS  65 -17.418 -17.564  11.168
  576    HB2  LYS  65           HB2      LYS  65 -16.029 -19.479  12.148
  577    HB3  LYS  65           HB3      LYS  65 -15.260 -18.270  13.190
  578    HG2  LYS  65           HG2      LYS  65 -17.636 -17.621  13.939
  579    HG3  LYS  65           HG3      LYS  65 -18.195 -19.067  13.088
  580    HD2  LYS  65           HD2      LYS  65 -16.105 -18.997  15.315
  581    HD3  LYS  65           HD3      LYS  65 -17.804 -19.391  15.565
  582    HE2  LYS  65           HE2      LYS  65 -17.663 -21.442  14.370
  583    HE3  LYS  65           HE3      LYS  65 -16.136 -21.003  13.596
  584    HZ1  LYS  65           HZ1      LYS  65 -15.000 -21.167  15.690
  585    HZ2  LYS  65           HZ2      LYS  65 -16.394 -21.490  16.516
  586    HZ3  LYS  65           HZ3      LYS  65 -15.802 -22.573  15.443
  587    H    ILE  66           H        ILE  66 -14.298 -16.059  12.321
  588    HA   ILE  66           HA       ILE  66 -15.749 -13.954  13.683
  589    HB   ILE  66           HB       ILE  66 -13.614 -14.376  14.477
  590   HG12  ILE  66          HG12      ILE  66 -14.441 -11.949  14.451
  591   HG13  ILE  66          HG13      ILE  66 -12.790 -12.306  14.883
  592   HG21  ILE  66          HG21      ILE  66 -11.503 -13.873  13.254
  593   HG22  ILE  66          HG22      ILE  66 -12.403 -15.250  12.641
  594   HG23  ILE  66          HG23      ILE  66 -12.449 -13.710  11.751
  595   HD11  ILE  66          HD11      ILE  66 -12.829 -10.279  13.576
  596   HD12  ILE  66          HD12      ILE  66 -11.985 -11.519  12.668
  597   HD13  ILE  66          HD13      ILE  66 -13.645 -11.081  12.231
  598    H    ILE  67           H        ILE  67 -14.473 -14.092  10.327
  599    HA   ILE  67           HA       ILE  67 -15.275 -11.406   9.656
  600    HB   ILE  67           HB       ILE  67 -14.715 -13.910   8.084
  601   HG12  ILE  67          HG12      ILE  67 -13.024 -12.582   7.026
  602   HG13  ILE  67          HG13      ILE  67 -13.694 -11.080   7.658
  603   HG21  ILE  67          HG21      ILE  67 -15.210 -12.695   5.948
  604   HG22  ILE  67          HG22      ILE  67 -16.664 -13.053   6.858
  605   HG23  ILE  67          HG23      ILE  67 -15.997 -11.409   6.883
  606   HD11  ILE  67          HD11      ILE  67 -11.572 -11.736   8.744
  607   HD12  ILE  67          HD12      ILE  67 -12.896 -11.595   9.904
  608   HD13  ILE  67          HD13      ILE  67 -12.339 -13.194   9.360
  609    H    ARG  68           H        ARG  68 -17.134 -14.483   9.323
  610    HA   ARG  68           HA       ARG  68 -19.522 -13.278   8.384
  611    HB2  ARG  68           HB2      ARG  68 -19.039 -15.678   8.256
  612    HB3  ARG  68           HB3      ARG  68 -19.151 -15.824  10.016
  613    HG2  ARG  68           HG2      ARG  68 -21.532 -15.215   9.961
  614    HG3  ARG  68           HG3      ARG  68 -21.429 -14.872   8.227
  615    HD2  ARG  68           HD2      ARG  68 -22.502 -17.015   8.549
  616    HD3  ARG  68           HD3      ARG  68 -20.937 -17.252   7.783
  617    HE   ARG  68           HE       ARG  68 -20.147 -18.377   9.652
  618   HH11  ARG  68          HH11      ARG  68 -23.283 -17.038  10.519
  619   HH12  ARG  68          HH12      ARG  68 -23.421 -18.062  11.922
  620   HH21  ARG  68          HH21      ARG  68 -20.420 -19.660  11.436
  621   HH22  ARG  68          HH22      ARG  68 -21.832 -19.490  12.433
  622    H    ARG  69           H        ARG  69 -18.504 -13.861  11.737
  623    HA   ARG  69           HA       ARG  69 -21.013 -12.866  12.848
  624    HB2  ARG  69           HB2      ARG  69 -19.716 -14.749  13.774
  625    HB3  ARG  69           HB3      ARG  69 -18.406 -13.649  14.218
  626    HG2  ARG  69           HG2      ARG  69 -19.809 -12.500  15.825
  627    HG3  ARG  69           HG3      ARG  69 -21.268 -13.318  15.221
  628    HD2  ARG  69           HD2      ARG  69 -20.386 -15.489  15.969
  629    HD3  ARG  69           HD3      ARG  69 -18.905 -14.702  16.555
  630    HE   ARG  69           HE       ARG  69 -21.136 -13.412  17.763
  631   HH11  ARG  69          HH11      ARG  69 -19.570 -16.540  17.976
  632   HH12  ARG  69          HH12      ARG  69 -20.091 -16.794  19.618
  633   HH21  ARG  69          HH21      ARG  69 -21.765 -13.797  19.864
  634   HH22  ARG  69          HH22      ARG  69 -21.301 -15.274  20.654
  635    H    ARG  70           H        ARG  70 -17.784 -11.349  12.428
  636    HA   ARG  70           HA       ARG  70 -18.463  -9.094  14.114
  637    HB2  ARG  70           HB2      ARG  70 -16.095  -9.890  13.516
  638    HB3  ARG  70           HB3      ARG  70 -16.336  -9.175  11.916
  639    HG2  ARG  70           HG2      ARG  70 -15.076  -7.638  13.285
  640    HG3  ARG  70           HG3      ARG  70 -16.673  -6.936  13.008
  641    HD2  ARG  70           HD2      ARG  70 -17.372  -7.725  15.302
  642    HD3  ARG  70           HD3      ARG  70 -15.777  -8.427  15.517
  643    HE   ARG  70           HE       ARG  70 -14.841  -6.330  15.868
  644   HH11  ARG  70          HH11      ARG  70 -18.205  -5.814  14.970
  645   HH12  ARG  70          HH12      ARG  70 -18.233  -4.240  15.713
  646   HH21  ARG  70          HH21      ARG  70 -14.948  -4.393  16.787
  647   HH22  ARG  70          HH22      ARG  70 -16.405  -3.419  16.678
  648    H    LEU  71           H        LEU  71 -18.740  -9.723  10.639
  649    HA   LEU  71           HA       LEU  71 -19.904  -7.119   9.983
  650    HB2  LEU  71           HB2      LEU  71 -20.007  -9.807   8.536
  651    HB3  LEU  71           HB3      LEU  71 -20.554  -8.274   7.866
  652    HG   LEU  71           HG       LEU  71 -17.664  -8.944   8.596
  653   HD11  LEU  71          HD11      LEU  71 -19.054  -8.618   5.906
  654   HD12  LEU  71          HD12      LEU  71 -17.322  -8.914   6.152
  655   HD13  LEU  71          HD13      LEU  71 -18.503 -10.151   6.611
  656   HD21  LEU  71          HD21      LEU  71 -18.009  -6.555   8.870
  657   HD22  LEU  71          HD22      LEU  71 -17.156  -6.834   7.352
  658   HD23  LEU  71          HD23      LEU  71 -18.897  -6.476   7.325
  659    H    GLN  72           H        GLN  72 -22.129  -6.670   9.597
  660    HA   GLN  72           HA       GLN  72 -23.965  -8.019  11.368
  661    HB2  GLN  72           HB2      GLN  72 -24.248  -5.600   9.574
  662    HB3  GLN  72           HB3      GLN  72 -25.578  -6.244  10.554
  663    HG2  GLN  72           HG2      GLN  72 -24.232  -6.016  12.609
  664    HG3  GLN  72           HG3      GLN  72 -22.911  -5.310  11.681
  665   HE21  GLN  72          HE21      GLN  72 -24.848  -2.499  13.179
  666   HE22  GLN  72          HE22      GLN  72 -23.922  -3.856  13.804
  667    H    LEU  73           H        LEU  73 -23.195  -9.873   9.537
  668    HA   LEU  73           HA       LEU  73 -25.318 -10.353   7.549
  669    HB2  LEU  73           HB2      LEU  73 -22.989 -12.017   8.590
  670    HB3  LEU  73           HB3      LEU  73 -24.094 -12.579   7.343
  671    HG   LEU  73           HG       LEU  73 -22.440 -10.037   7.025
  672   HD11  LEU  73          HD11      LEU  73 -21.800 -12.870   6.117
  673   HD12  LEU  73          HD12      LEU  73 -20.916 -11.397   5.638
  674   HD13  LEU  73          HD13      LEU  73 -20.923 -11.914   7.332
  675   HD21  LEU  73          HD21      LEU  73 -24.396 -10.236   5.497
  676   HD22  LEU  73          HD22      LEU  73 -22.866 -10.406   4.627
  677   HD23  LEU  73          HD23      LEU  73 -23.835 -11.848   5.001
  678    H    ASN  74           H        ASN  74 -26.620 -12.318   7.641
  679    HA   ASN  74           HA       ASN  74 -27.310 -13.429  10.273
  680    HB2  ASN  74           HB2      ASN  74 -28.503 -11.160  10.007
  681    HB3  ASN  74           HB3      ASN  74 -29.376 -11.855   8.645
  682   HD21  ASN  74          HD21      ASN  74 -31.721 -12.289  11.367
  683   HD22  ASN  74          HD22      ASN  74 -31.186 -11.103  10.183
  684    H    ALA  75           H        ALA  75 -29.021 -15.147  10.002
  685    HA   ALA  75           HA       ALA  75 -28.177 -17.078   8.193
  686    HB1  ALA  75           HB1      ALA  75 -30.193 -18.309   8.952
  687    HB2  ALA  75           HB2      ALA  75 -29.414 -17.465  10.309
  688    HB3  ALA  75           HB3      ALA  75 -30.892 -16.796   9.567
  689    H    ASN  76           H        ASN  76 -30.815 -14.755   7.684
  690    HA   ASN  76           HA       ASN  76 -31.976 -15.980   5.360
  691    HB2  ASN  76           HB2      ASN  76 -33.076 -14.338   6.873
  692    HB3  ASN  76           HB3      ASN  76 -31.947 -13.083   6.344
  693   HD21  ASN  76          HD21      ASN  76 -33.805 -12.326   3.454
  694   HD22  ASN  76          HD22      ASN  76 -32.376 -11.996   4.437
  695    H    GLN  77           H        GLN  77 -29.046 -14.059   5.715
  696    HA   GLN  77           HA       GLN  77 -29.011 -13.201   2.884
  697    HB2  GLN  77           HB2      GLN  77 -26.861 -12.799   5.000
  698    HB3  GLN  77           HB3      GLN  77 -27.023 -11.975   3.456
  699    HG2  GLN  77           HG2      GLN  77 -28.684 -11.612   5.971
  700    HG3  GLN  77           HG3      GLN  77 -27.699 -10.424   5.129
  701   HE21  GLN  77          HE21      GLN  77 -30.264  -9.934   2.537
  702   HE22  GLN  77          HE22      GLN  77 -28.520  -9.960   2.730
  703    H    ALA  78           H        ALA  78 -27.840 -14.186   1.293
  704    HA   ALA  78           HA       ALA  78 -26.318 -16.631   1.844
  705    HB1  ALA  78           HB1      ALA  78 -25.936 -16.629  -0.585
  706    HB2  ALA  78           HB2      ALA  78 -27.656 -16.446  -0.198
  707    HB3  ALA  78           HB3      ALA  78 -26.709 -15.037  -0.717
  708    H    PHE  79           H        PHE  79 -24.088 -16.868   1.786
  709    HA   PHE  79           HA       PHE  79 -22.343 -14.587   1.349
  710    HB2  PHE  79           HB2      PHE  79 -22.814 -13.862   3.451
  711    HB3  PHE  79           HB3      PHE  79 -23.011 -15.478   4.101
  712    HD1  PHE  79           HD1      PHE  79 -21.159 -16.791   4.933
  713    HD2  PHE  79           HD2      PHE  79 -20.509 -12.901   3.200
  714    HE1  PHE  79           HE1      PHE  79 -18.860 -16.770   5.862
  715    HE2  PHE  79           HE2      PHE  79 -18.195 -12.877   4.138
  716    HZ   PHE  79           HZ       PHE  79 -17.376 -14.819   5.464
  717    H    PHE  80           H        PHE  80 -20.343 -14.940   0.766
  718    HA   PHE  80           HA       PHE  80 -19.034 -17.521   1.411
  719    HB2  PHE  80           HB2      PHE  80 -19.244 -16.333  -1.378
  720    HB3  PHE  80           HB3      PHE  80 -18.121 -17.599  -0.905
  721    HD1  PHE  80           HD1      PHE  80 -21.670 -16.832  -1.540
  722    HD2  PHE  80           HD2      PHE  80 -18.813 -19.902  -0.548
  723    HE1  PHE  80           HE1      PHE  80 -23.349 -18.574  -2.108
  724    HE2  PHE  80           HE2      PHE  80 -20.486 -21.644  -1.125
  725    HZ   PHE  80           HZ       PHE  80 -22.753 -20.983  -1.913
  726    H    LEU  81           H        LEU  81 -16.955 -17.353   2.041
  727    HA   LEU  81           HA       LEU  81 -15.454 -14.841   1.421
  728    HB2  LEU  81           HB2      LEU  81 -15.694 -15.122   3.776
  729    HB3  LEU  81           HB3      LEU  81 -15.195 -16.808   3.707
  730    HG   LEU  81           HG       LEU  81 -12.897 -16.179   3.185
  731   HD11  LEU  81          HD11      LEU  81 -12.232 -13.729   3.258
  732   HD12  LEU  81          HD12      LEU  81 -13.224 -14.105   1.849
  733   HD13  LEU  81          HD13      LEU  81 -13.949 -13.294   3.257
  734   HD21  LEU  81          HD21      LEU  81 -13.482 -16.225   5.535
  735   HD22  LEU  81          HD22      LEU  81 -12.288 -14.966   5.234
  736   HD23  LEU  81          HD23      LEU  81 -13.994 -14.533   5.486
  737    H    LEU  82           H        LEU  82 -14.013 -14.976  -0.110
  738    HA   LEU  82           HA       LEU  82 -13.193 -17.622  -1.202
  739    HB2  LEU  82           HB2      LEU  82 -13.339 -14.964  -2.663
  740    HB3  LEU  82           HB3      LEU  82 -13.286 -16.571  -3.358
  741    HG   LEU  82           HG       LEU  82 -15.668 -15.367  -1.858
  742   HD11  LEU  82          HD11      LEU  82 -16.704 -15.227  -4.066
  743   HD12  LEU  82          HD12      LEU  82 -15.218 -14.264  -4.014
  744   HD13  LEU  82          HD13      LEU  82 -15.224 -15.847  -4.834
  745   HD21  LEU  82          HD21      LEU  82 -15.613 -17.837  -1.698
  746   HD22  LEU  82          HD22      LEU  82 -16.896 -17.297  -2.777
  747   HD23  LEU  82          HD23      LEU  82 -15.402 -17.953  -3.469
  748    H    VAL  83           H        VAL  83 -11.025 -18.062  -1.409
  749    HA   VAL  83           HA       VAL  83  -9.055 -15.869  -0.837
  750    HB   VAL  83           HB       VAL  83  -8.613 -18.871  -0.890
  751   HG11  VAL  83          HG11      VAL  83  -6.396 -18.178   0.140
  752   HG12  VAL  83          HG12      VAL  83  -6.575 -17.800  -1.577
  753   HG13  VAL  83          HG13      VAL  83  -6.761 -16.513  -0.367
  754   HG21  VAL  83          HG21      VAL  83  -8.686 -16.885   1.426
  755   HG22  VAL  83          HG22      VAL  83  -9.891 -18.146   1.104
  756   HG23  VAL  83          HG23      VAL  83  -8.240 -18.601   1.549
  757    H    ASN  84           H        ASN  84  -7.901 -15.037  -2.501
  758    HA   ASN  84           HA       ASN  84  -7.664 -14.426  -4.711
  759    HB2  ASN  84           HB2      ASN  84  -6.517 -17.235  -4.597
  760    HB3  ASN  84           HB3      ASN  84  -6.294 -16.162  -5.978
  761   HD21  ASN  84          HD21      ASN  84  -3.674 -15.718  -3.103
  762   HD22  ASN  84          HD22      ASN  84  -4.459 -17.220  -3.600
  763    H    GLY  85           H        GLY  85 -10.212 -14.697  -4.414
  764    HA2  GLY  85           HA2      GLY  85 -12.116 -14.641  -5.665
  765    HA3  GLY  85           HA3      GLY  85 -11.181 -15.120  -7.076
  766    H    HIS  86           H        HIS  86 -10.869 -17.537  -4.652
  767    HA   HIS  86           HA       HIS  86 -13.187 -19.106  -5.735
  768    HB2  HIS  86           HB2      HIS  86 -10.311 -20.036  -5.357
  769    HB3  HIS  86           HB3      HIS  86 -11.668 -21.082  -5.782
  770    HD1  HIS  86           HD1      HIS  86  -9.430 -18.360  -7.342
  771    HD2  HIS  86           HD2      HIS  86 -12.756 -20.818  -8.260
  772    HE1  HIS  86           HE1      HIS  86  -9.754 -18.232  -9.897
  773    HE2  HIS  86           HE2      HIS  86 -11.773 -19.732 -10.446
  774    H    SER  87           H        SER  87 -14.121 -20.703  -4.362
  775    HA   SER  87           HA       SER  87 -14.282 -19.734  -1.656
  776    HB2  SER  87           HB2      SER  87 -16.231 -20.628  -2.808
  777    HB3  SER  87           HB3      SER  87 -15.483 -22.243  -2.850
  778    HG   SER  87           HG       SER  87 -16.906 -21.980  -1.056
  779    H    MET  88           H        MET  88 -13.552 -20.414   0.215
  780    HA   MET  88           HA       MET  88 -12.089 -23.012   0.467
  781    HB2  MET  88           HB2      MET  88 -11.312 -20.317   1.636
  782    HB3  MET  88           HB3      MET  88 -10.587 -21.847   2.135
  783    HG2  MET  88           HG2      MET  88 -10.482 -20.728  -0.684
  784    HG3  MET  88           HG3      MET  88  -9.208 -20.614   0.534
  785    HE1  MET  88           HE1      MET  88  -7.645 -23.060  -2.067
  786    HE2  MET  88           HE2      MET  88  -8.725 -21.691  -2.411
  787    HE3  MET  88           HE3      MET  88  -7.454 -21.531  -1.181
  788    H    VAL  89           H        VAL  89 -14.942 -22.098   1.039
  789    HA   VAL  89           HA       VAL  89 -15.316 -21.492   3.697
  790    HB   VAL  89           HB       VAL  89 -16.932 -21.375   1.766
  791   HG11  VAL  89          HG11      VAL  89 -18.615 -23.107   1.561
  792   HG12  VAL  89          HG12      VAL  89 -17.024 -23.810   1.228
  793   HG13  VAL  89          HG13      VAL  89 -17.820 -24.104   2.793
  794   HG21  VAL  89          HG21      VAL  89 -18.868 -21.277   3.223
  795   HG22  VAL  89          HG22      VAL  89 -18.031 -22.220   4.471
  796   HG23  VAL  89          HG23      VAL  89 -17.457 -20.595   4.039
  797    H    SER  90           H        SER  90 -14.795 -24.755   2.548
  798    HA   SER  90           HA       SER  90 -15.552 -25.933   5.154
  799    HB2  SER  90           HB2      SER  90 -14.655 -27.193   2.542
  800    HB3  SER  90           HB3      SER  90 -15.149 -28.083   3.989
  801    HG   SER  90           HG       SER  90 -16.895 -27.815   2.518
  802    H    VAL  91           H        VAL  91 -12.624 -24.609   4.016
  803    HA   VAL  91           HA       VAL  91 -10.969 -26.843   4.833
  804    HB   VAL  91           HB       VAL  91 -10.567 -25.287   2.845
  805   HG11  VAL  91          HG11      VAL  91 -10.357 -23.180   4.206
  806   HG12  VAL  91          HG12      VAL  91  -8.842 -23.825   4.878
  807   HG13  VAL  91          HG13      VAL  91  -8.980 -23.516   3.137
  808   HG21  VAL  91          HG21      VAL  91  -8.249 -26.214   4.589
  809   HG22  VAL  91          HG22      VAL  91  -9.162 -27.214   3.433
  810   HG23  VAL  91          HG23      VAL  91  -8.193 -25.854   2.854
  811    H    SER  92           H        SER  92  -9.790 -27.280   6.553
  812    HA   SER  92           HA       SER  92 -10.228 -25.609   8.942
  813    HB2  SER  92           HB2      SER  92  -9.612 -27.676  10.132
  814    HB3  SER  92           HB3      SER  92 -10.911 -27.934   8.956
  815    HG   SER  92           HG       SER  92  -9.278 -29.569   8.822
  816    H    THR  93           H        THR  93  -7.632 -25.942   6.787
  817    HA   THR  93           HA       THR  93  -5.462 -26.238   8.507
  818    HB   THR  93           HB       THR  93  -5.569 -26.481   5.987
  819    HG1  THR  93           HG1      THR  93  -3.368 -26.338   5.923
  820   HG21  THR  93          HG21      THR  93  -4.492 -23.631   6.060
  821   HG22  THR  93          HG22      THR  93  -4.696 -24.676   4.642
  822   HG23  THR  93          HG23      THR  93  -6.124 -24.060   5.493
  823    HA   PRO  94           HA       PRO  94  -4.711 -22.427  10.652
  824    HB2  PRO  94           HB2      PRO  94  -1.797 -22.832   9.991
  825    HB3  PRO  94           HB3      PRO  94  -2.553 -22.413  11.561
  826    HG2  PRO  94           HG2      PRO  94  -1.768 -24.954  11.095
  827    HG3  PRO  94           HG3      PRO  94  -3.373 -24.653  11.842
  828    HD2  PRO  94           HD2      PRO  94  -2.724 -25.223   8.942
  829    HD3  PRO  94           HD3      PRO  94  -3.984 -25.958   9.979
  830    H    ILE  95           H        ILE  95  -4.532 -20.234  10.222
  831    HA   ILE  95           HA       ILE  95  -4.691 -19.406   7.536
  832    HB   ILE  95           HB       ILE  95  -5.709 -18.272   9.498
  833   HG12  ILE  95          HG12      ILE  95  -5.444 -15.962   8.809
  834   HG13  ILE  95          HG13      ILE  95  -3.964 -16.321   7.923
  835   HG21  ILE  95          HG21      ILE  95  -3.694 -18.345  11.026
  836   HG22  ILE  95          HG22      ILE  95  -2.946 -17.071  10.036
  837   HG23  ILE  95          HG23      ILE  95  -4.440 -16.761  10.918
  838   HD11  ILE  95          HD11      ILE  95  -6.017 -16.074   6.493
  839   HD12  ILE  95          HD12      ILE  95  -5.200 -17.622   6.274
  840   HD13  ILE  95          HD13      ILE  95  -6.683 -17.540   7.249
  841    H    SER  96           H        SER  96  -1.801 -19.688   9.507
  842    HA   SER  96           HA       SER  96   0.003 -18.123   7.903
  843    HB2  SER  96           HB2      SER  96   1.716 -19.600   9.022
  844    HB3  SER  96           HB3      SER  96   0.619 -18.757  10.135
  845    HG   SER  96           HG       SER  96   0.922 -21.069  10.578
  846    H    GLU  97           H        GLU  97  -1.029 -21.558   7.724
  847    HA   GLU  97           HA       GLU  97   0.712 -22.253   5.514
  848    HB2  GLU  97           HB2      GLU  97  -1.931 -23.501   6.386
  849    HB3  GLU  97           HB3      GLU  97  -0.791 -24.218   5.263
  850    HG2  GLU  97           HG2      GLU  97  -0.255 -23.623   8.210
  851    HG3  GLU  97           HG3      GLU  97  -0.679 -25.188   7.535
  852    H    VAL  98           H        VAL  98  -2.671 -21.086   5.693
  853    HA   VAL  98           HA       VAL  98  -3.064 -21.002   2.848
  854    HB   VAL  98           HB       VAL  98  -4.373 -19.045   4.727
  855   HG11  VAL  98          HG11      VAL  98  -5.347 -20.391   2.162
  856   HG12  VAL  98          HG12      VAL  98  -6.203 -19.145   3.096
  857   HG13  VAL  98          HG13      VAL  98  -4.705 -18.741   2.242
  858   HG21  VAL  98          HG21      VAL  98  -4.771 -21.217   5.742
  859   HG22  VAL  98          HG22      VAL  98  -6.237 -20.670   4.927
  860   HG23  VAL  98          HG23      VAL  98  -5.217 -21.905   4.162
  861    H    TYR  99           H        TYR  99  -1.806 -18.421   5.056
  862    HA   TYR  99           HA       TYR  99  -1.223 -16.587   2.981
  863    HB2  TYR  99           HB2      TYR  99  -1.178 -15.625   5.043
  864    HB3  TYR  99           HB3      TYR  99  -0.238 -16.923   5.755
  865    HD1  TYR  99           HD1      TYR  99   0.037 -14.004   3.410
  866    HD2  TYR  99           HD2      TYR  99   2.096 -16.785   5.997
  867    HE1  TYR  99           HE1      TYR  99   2.152 -12.699   3.148
  868    HE2  TYR  99           HE2      TYR  99   4.180 -15.457   5.771
  869    HH   TYR  99           HH       TYR  99   5.143 -13.509   4.927
  870    H    GLU 100           H        GLU 100   0.986 -19.133   4.175
  871    HA   GLU 100           HA       GLU 100   3.107 -18.364   2.485
  872    HB2  GLU 100           HB2      GLU 100   3.288 -19.818   4.471
  873    HB3  GLU 100           HB3      GLU 100   2.377 -21.075   3.638
  874    HG2  GLU 100           HG2      GLU 100   4.693 -21.639   3.644
  875    HG3  GLU 100           HG3      GLU 100   4.179 -21.331   1.993
  876    H    SER 101           H        SER 101   0.275 -20.326   1.753
  877    HA   SER 101           HA       SER 101   1.274 -21.102  -0.914
  878    HB2  SER 101           HB2      SER 101   0.029 -22.654   0.552
  879    HB3  SER 101           HB3      SER 101  -1.386 -21.582   0.476
  880    HG   SER 101           HG       SER 101  -1.434 -23.358  -1.053
  881    H    GLU 102           H        GLU 102  -1.050 -18.746   0.398
  882    HA   GLU 102           HA       GLU 102  -1.928 -17.987  -2.357
  883    HB2  GLU 102           HB2      GLU 102  -3.400 -17.841   0.294
  884    HB3  GLU 102           HB3      GLU 102  -4.067 -17.373  -1.239
  885    HG2  GLU 102           HG2      GLU 102  -3.137 -20.206  -0.589
  886    HG3  GLU 102           HG3      GLU 102  -4.777 -19.631  -0.420
  887    H    LYS 103           H        LYS 103   0.195 -16.585  -0.259
  888    HA   LYS 103           HA       LYS 103  -0.700 -13.851  -0.351
  889    HB2  LYS 103           HB2      LYS 103   1.535 -13.201   0.134
  890    HB3  LYS 103           HB3      LYS 103   1.205 -14.667   1.052
  891    HG2  LYS 103           HG2      LYS 103   2.408 -15.965  -0.828
  892    HG3  LYS 103           HG3      LYS 103   2.844 -14.390  -1.502
  893    HD2  LYS 103           HD2      LYS 103   4.730 -14.992  -0.318
  894    HD3  LYS 103           HD3      LYS 103   3.928 -13.875   0.794
  895    HE2  LYS 103           HE2      LYS 103   3.029 -15.788   2.091
  896    HE3  LYS 103           HE3      LYS 103   3.626 -16.915   0.870
  897    HZ1  LYS 103           HZ1      LYS 103   5.329 -15.278   2.685
  898    HZ2  LYS 103           HZ2      LYS 103   5.203 -16.927   2.648
  899    HZ3  LYS 103           HZ3      LYS 103   5.920 -16.143   1.424
  900    H    ASP 104           H        ASP 104  -0.461 -12.223  -1.851
  901    HA   ASP 104           HA       ASP 104  -0.002 -13.086  -4.657
  902    HB2  ASP 104           HB2      ASP 104  -2.034 -11.869  -4.063
  903    HB3  ASP 104           HB3      ASP 104  -1.059 -10.501  -3.491
  904    H    GLU 105           H        GLU 105   1.216 -11.519  -6.111
  905    HA   GLU 105           HA       GLU 105   3.951 -11.161  -5.283
  906    HB2  GLU 105           HB2      GLU 105   2.422  -9.829  -7.555
  907    HB3  GLU 105           HB3      GLU 105   4.168  -9.832  -7.374
  908    HG2  GLU 105           HG2      GLU 105   2.404 -12.266  -7.853
  909    HG3  GLU 105           HG3      GLU 105   3.388 -11.425  -9.049
  910    H    ASP 106           H        ASP 106   1.184  -8.926  -5.335
  911    HA   ASP 106           HA       ASP 106   2.601  -6.559  -4.545
  912    HB2  ASP 106           HB2      ASP 106  -0.319  -7.344  -4.262
  913    HB3  ASP 106           HB3      ASP 106   0.326  -5.757  -3.879
  914    H    GLY 107           H        GLY 107   2.222  -9.345  -2.774
  915    HA2  GLY 107           HA2      GLY 107   2.728  -9.775  -0.528
  916    HA3  GLY 107           HA3      GLY 107   2.567  -8.058  -0.126
  917    H    PHE 108           H        PHE 108   1.361  -9.705   1.573
  918    HA   PHE 108           HA       PHE 108  -0.505 -10.242   2.621
  919    HB2  PHE 108           HB2      PHE 108  -1.730  -8.106   0.921
  920    HB3  PHE 108           HB3      PHE 108  -2.715  -9.092   1.974
  921    HD1  PHE 108           HD1      PHE 108  -3.182  -8.223   4.080
  922    HD2  PHE 108           HD2      PHE 108   0.506  -7.124   2.158
  923    HE1  PHE 108           HE1      PHE 108  -2.567  -6.885   6.064
  924    HE2  PHE 108           HE2      PHE 108   1.158  -5.829   4.161
  925    HZ   PHE 108           HZ       PHE 108  -0.352  -5.729   6.139
  926    H    LEU 109           H        LEU 109  -2.081 -11.723   2.909
  927    HA   LEU 109           HA       LEU 109  -2.589 -13.622   0.713
  928    HB2  LEU 109           HB2      LEU 109  -2.253 -14.148   3.193
  929    HB3  LEU 109           HB3      LEU 109  -3.824 -13.429   3.473
  930    HG   LEU 109           HG       LEU 109  -3.164 -15.999   2.000
  931   HD11  LEU 109          HD11      LEU 109  -3.340 -16.055   4.480
  932   HD12  LEU 109          HD12      LEU 109  -4.924 -15.281   4.392
  933   HD13  LEU 109          HD13      LEU 109  -4.697 -16.913   3.745
  934   HD21  LEU 109          HD21      LEU 109  -5.628 -16.308   1.705
  935   HD22  LEU 109          HD22      LEU 109  -5.857 -14.584   2.092
  936   HD23  LEU 109          HD23      LEU 109  -4.939 -15.085   0.643
  937    H    TYR 110           H        TYR 110  -3.883 -12.750  -0.907
  938    HA   TYR 110           HA       TYR 110  -6.035 -10.949  -0.294
  939    HB2  TYR 110           HB2      TYR 110  -4.988 -12.069  -2.816
  940    HB3  TYR 110           HB3      TYR 110  -6.622 -11.436  -2.802
  941    HD1  TYR 110           HD1      TYR 110  -3.058 -10.513  -2.122
  942    HD2  TYR 110           HD2      TYR 110  -7.088  -9.106  -2.774
  943    HE1  TYR 110           HE1      TYR 110  -2.191  -8.226  -2.539
  944    HE2  TYR 110           HE2      TYR 110  -6.213  -6.813  -3.179
  945    HH   TYR 110           HH       TYR 110  -2.710  -6.062  -3.182
  946    H    MET 111           H        MET 111  -8.018 -11.180   0.346
  947    HA   MET 111           HA       MET 111  -9.508 -13.526  -0.669
  948    HB2  MET 111           HB2      MET 111 -10.256 -12.339   2.010
  949    HB3  MET 111           HB3      MET 111 -10.727 -13.857   1.280
  950    HG2  MET 111           HG2      MET 111  -8.309 -14.609   1.498
  951    HG3  MET 111           HG3      MET 111  -8.035 -13.174   2.496
  952    HE1  MET 111           HE1      MET 111  -7.996 -16.197   4.988
  953    HE2  MET 111           HE2      MET 111  -7.390 -16.106   3.337
  954    HE3  MET 111           HE3      MET 111  -7.138 -14.738   4.459
  955    H    VAL 112           H        VAL 112 -11.591 -13.193  -1.263
  956    HA   VAL 112           HA       VAL 112 -12.667 -10.406  -1.326
  957    HB   VAL 112           HB       VAL 112 -12.882 -12.559  -3.466
  958   HG11  VAL 112          HG11      VAL 112 -14.130 -10.888  -4.800
  959   HG12  VAL 112          HG12      VAL 112 -15.019 -11.380  -3.360
  960   HG13  VAL 112          HG13      VAL 112 -14.177  -9.807  -3.388
  961   HG21  VAL 112          HG21      VAL 112 -11.767 -10.921  -4.939
  962   HG22  VAL 112          HG22      VAL 112 -11.607  -9.797  -3.568
  963   HG23  VAL 112          HG23      VAL 112 -10.737 -11.344  -3.572
  964    H    TYR 113           H        TYR 113 -15.012 -10.335  -0.837
  965    HA   TYR 113           HA       TYR 113 -16.230 -13.027  -0.318
  966    HB2  TYR 113           HB2      TYR 113 -16.908 -12.574   1.825
  967    HB3  TYR 113           HB3      TYR 113 -15.338 -11.818   1.835
  968    HD1  TYR 113           HD1      TYR 113 -18.911 -11.363   2.208
  969    HD2  TYR 113           HD2      TYR 113 -15.188  -9.280   1.597
  970    HE1  TYR 113           HE1      TYR 113 -19.949  -9.258   3.063
  971    HE2  TYR 113           HE2      TYR 113 -16.219  -7.190   2.477
  972    HH   TYR 113           HH       TYR 113 -19.495  -7.085   3.811
  973    H    ALA 114           H        ALA 114 -18.474 -13.049  -0.518
  974    HA   ALA 114           HA       ALA 114 -19.896 -10.828  -1.842
  975    HB1  ALA 114           HB1      ALA 114 -18.940 -13.329  -3.315
  976    HB2  ALA 114           HB2      ALA 114 -20.006 -12.077  -3.997
  977    HB3  ALA 114           HB3      ALA 114 -18.331 -11.697  -3.578
  978    H    SER 115           H        SER 115 -22.018 -11.800  -2.872
  979    HA   SER 115           HA       SER 115 -23.396 -13.473  -0.867
  980    HB2  SER 115           HB2      SER 115 -24.354 -11.403  -1.985
  981    HB3  SER 115           HB3      SER 115 -24.420 -12.342  -3.485
  982    HG   SER 115           HG       SER 115 -26.409 -12.425  -2.366
  983    H    GLN 116           H        GLN 116 -21.685 -13.943  -3.819
  984    HA   GLN 116           HA       GLN 116 -22.509 -16.783  -4.030
  985    HB2  GLN 116           HB2      GLN 116 -22.379 -16.459  -6.580
  986    HB3  GLN 116           HB3      GLN 116 -23.819 -15.935  -5.716
  987    HG2  GLN 116           HG2      GLN 116 -23.271 -14.343  -7.437
  988    HG3  GLN 116           HG3      GLN 116 -23.142 -13.598  -5.858
  989   HE21  GLN 116          HE21      GLN 116 -21.488 -12.119  -5.904
  990   HE22  GLN 116          HE22      GLN 116 -19.962 -12.376  -6.776
  991    H    GLU 117           H        GLU 117 -20.924 -18.228  -4.979
  992    HA   GLU 117           HA       GLU 117 -18.186 -17.303  -4.508
  993    HB2  GLU 117           HB2      GLU 117 -17.482 -19.550  -4.800
  994    HB3  GLU 117           HB3      GLU 117 -18.918 -19.518  -3.777
  995    HG2  GLU 117           HG2      GLU 117 -20.289 -20.159  -5.818
  996    HG3  GLU 117           HG3      GLU 117 -18.766 -20.330  -6.700
  997    H    THR 118           H        THR 118 -20.081 -18.095  -7.415
  998    HA   THR 118           HA       THR 118 -18.290 -16.394  -8.913
  999    HB   THR 118           HB       THR 118 -17.681 -17.608 -10.690
 1000    HG1  THR 118           HG1      THR 118 -18.612 -19.580 -11.292
 1001   HG21  THR 118          HG21      THR 118 -16.404 -18.561  -8.795
 1002   HG22  THR 118          HG22      THR 118 -17.644 -19.820  -8.598
 1003   HG23  THR 118          HG23      THR 118 -16.673 -19.738 -10.077
 1004    H    PHE 119           H        PHE 119 -19.075 -15.407 -10.767
 1005    HA   PHE 119           HA       PHE 119 -21.899 -14.868 -10.550
 1006    HB2  PHE 119           HB2      PHE 119 -21.338 -13.055 -12.275
 1007    HB3  PHE 119           HB3      PHE 119 -20.779 -12.952 -10.622
 1008    HD1  PHE 119           HD1      PHE 119 -19.681 -13.874 -14.078
 1009    HD2  PHE 119           HD2      PHE 119 -18.454 -12.807 -10.078
 1010    HE1  PHE 119           HE1      PHE 119 -17.335 -13.661 -14.855
 1011    HE2  PHE 119           HE2      PHE 119 -16.108 -12.589 -10.859
 1012    HZ   PHE 119           HZ       PHE 119 -15.545 -13.009 -13.249
 1013    H    GLY 120           H        GLY 120 -20.524 -17.203 -12.371
 1014    HA2  GLY 120           HA2      GLY 120 -22.428 -17.017 -14.672
 1015    HA3  GLY 120           HA3      GLY 120 -21.027 -18.071 -14.559
 1016    H1   ASP  10           H1       ASP  10  -7.264   4.769  12.424
 1017    H2   ASP  10           H2       ASP  10  -7.590   5.749  13.696
 1018    H3   ASP  10           H3       ASP  10  -6.155   4.969  13.619
 1019    HA   ASP  10           HA       ASP  10  -7.579   3.956  15.242
 1020    HB2  ASP  10           HB2      ASP  10  -9.546   3.654  12.968
 1021    HB3  ASP  10           HB3      ASP  10  -9.619   2.707  14.461
 1022    H    TYR  11           H        TYR  11  -6.960   2.030  15.961
 1023    HA   TYR  11           HA       TYR  11  -5.159   0.622  14.245
 1024    HB2  TYR  11           HB2      TYR  11  -5.864   0.255  17.141
 1025    HB3  TYR  11           HB3      TYR  11  -4.704  -0.761  16.317
 1026    HD1  TYR  11           HD1      TYR  11  -2.966   0.862  14.702
 1027    HD2  TYR  11           HD2      TYR  11  -4.799   1.829  18.498
 1028    HE1  TYR  11           HE1      TYR  11  -1.142   2.452  15.178
 1029    HE2  TYR  11           HE2      TYR  11  -2.969   3.435  18.959
 1030    HH   TYR  11           HH       TYR  11  -1.008   4.384  18.205
 1031    H    GLU  12           H        GLU  12  -8.377   0.078  14.295
 1032    HA   GLU  12           HA       GLU  12  -8.254  -2.790  13.696
 1033    HB2  GLU  12           HB2      GLU  12 -10.529  -2.605  13.017
 1034    HB3  GLU  12           HB3      GLU  12 -10.291  -1.877  14.593
 1035    HG2  GLU  12           HG2      GLU  12 -10.472   0.357  13.714
 1036    HG3  GLU  12           HG3      GLU  12 -10.372  -0.208  12.049
 1037    H    SER  13           H        SER  13  -7.089  -0.090  11.931
 1038    HA   SER  13           HA       SER  13  -6.795  -1.700   9.486
 1039    HB2  SER  13           HB2      SER  13  -9.072  -1.044   9.122
 1040    HB3  SER  13           HB3      SER  13  -8.726   0.612   9.612
 1041    HG   SER  13           HG       SER  13  -8.415  -0.609   7.170
 1042    H    ASP  14           H        ASP  14  -6.146   1.514  10.997
 1043    HA   ASP  14           HA       ASP  14  -4.960   2.500   8.642
 1044    HB2  ASP  14           HB2      ASP  14  -5.028   3.578  11.413
 1045    HB3  ASP  14           HB3      ASP  14  -4.224   4.422  10.091
 1046    H    ASP  15           H        ASP  15  -2.669   2.939  11.233
 1047    HA   ASP  15           HA       ASP  15  -0.587   1.898   9.397
 1048    HB2  ASP  15           HB2      ASP  15  -0.891   4.700  10.381
 1049    HB3  ASP  15           HB3      ASP  15   0.715   4.046  10.077
 1050    H    ASP  16           H        ASP  16   1.361   1.226  10.066
 1051    HA   ASP  16           HA       ASP  16   2.799   0.167  11.348
 1052    HB2  ASP  16           HB2      ASP  16   2.560   2.755  12.841
 1053    HB3  ASP  16           HB3      ASP  16   3.753   1.526  13.246
 1054    H    SER  17           H        SER  17   1.465   1.373  14.362
 1055    HA   SER  17           HA       SER  17   2.009  -1.164  15.585
 1056    HB2  SER  17           HB2      SER  17   0.710   1.351  16.693
 1057    HB3  SER  17           HB3      SER  17   1.276  -0.028  17.658
 1058    HG   SER  17           HG       SER  17   2.863   1.633  17.528
 1059    H    TYR  18           H        TYR  18  -0.346  -1.151  13.612
 1060    HA   TYR  18           HA       TYR  18  -2.702  -1.468  15.212
 1061    HB2  TYR  18           HB2      TYR  18  -3.760  -2.305  13.080
 1062    HB3  TYR  18           HB3      TYR  18  -3.193  -0.664  13.140
 1063    HD1  TYR  18           HD1      TYR  18  -1.895  -4.058  12.105
 1064    HD2  TYR  18           HD2      TYR  18  -2.099   0.150  11.313
 1065    HE1  TYR  18           HE1      TYR  18  -1.075  -4.467   9.791
 1066    HE2  TYR  18           HE2      TYR  18  -1.125  -0.242   9.033
 1067    HH   TYR  18           HH       TYR  18  -0.374  -3.489   7.798
 1068    H    GLU  19           H        GLU  19  -4.155  -3.165  15.464
 1069    HA   GLU  19           HA       GLU  19  -2.959  -5.921  15.291
 1070    HB2  GLU  19           HB2      GLU  19  -5.099  -4.918  17.190
 1071    HB3  GLU  19           HB3      GLU  19  -4.516  -6.578  17.080
 1072    HG2  GLU  19           HG2      GLU  19  -2.905  -4.138  17.929
 1073    HG3  GLU  19           HG3      GLU  19  -3.504  -5.421  18.972
 1074    H    VAL  20           H        VAL  20  -5.531  -3.888  14.151
 1075    HA   VAL  20           HA       VAL  20  -7.009  -4.100  12.558
 1076    HB   VAL  20           HB       VAL  20  -5.758  -6.489  11.344
 1077   HG11  VAL  20          HG11      VAL  20  -6.613  -3.816  10.184
 1078   HG12  VAL  20          HG12      VAL  20  -6.133  -5.246   9.282
 1079   HG13  VAL  20          HG13      VAL  20  -7.655  -5.245  10.212
 1080   HG21  VAL  20          HG21      VAL  20  -3.806  -5.218  12.060
 1081   HG22  VAL  20          HG22      VAL  20  -4.031  -5.014  10.321
 1082   HG23  VAL  20          HG23      VAL  20  -4.524  -3.711  11.416
 1083    H    LEU  21           H        LEU  21  -6.744  -7.377  13.901
 1084    HA   LEU  21           HA       LEU  21  -9.405  -8.220  12.948
 1085    HB2  LEU  21           HB2      LEU  21  -7.190  -9.581  13.321
 1086    HB3  LEU  21           HB3      LEU  21  -7.665  -9.580  15.012
 1087    HG   LEU  21           HG       LEU  21  -9.842 -10.728  14.300
 1088   HD11  LEU  21          HD11      LEU  21  -9.742 -11.881  12.043
 1089   HD12  LEU  21          HD12      LEU  21  -9.995 -10.141  11.933
 1090   HD13  LEU  21          HD13      LEU  21  -8.382 -10.823  11.615
 1091   HD21  LEU  21          HD21      LEU  21  -7.855 -11.961  15.156
 1092   HD22  LEU  21          HD22      LEU  21  -8.787 -12.905  13.976
 1093   HD23  LEU  21          HD23      LEU  21  -7.266 -12.117  13.490
 1094    H    ASP  22           H        ASP  22  -8.576  -6.057  15.274
 1095    HA   ASP  22           HA       ASP  22  -9.256  -5.425  17.267
 1096    HB2  ASP  22           HB2      ASP  22 -10.780  -4.383  15.843
 1097    HB3  ASP  22           HB3      ASP  22 -11.773  -5.823  15.706
 1098    H    LEU  23           H        LEU  23  -8.427  -8.000  17.535
 1099    HA   LEU  23           HA       LEU  23  -9.512  -8.701  20.126
 1100    HB2  LEU  23           HB2      LEU  23 -10.249 -10.922  19.663
 1101    HB3  LEU  23           HB3      LEU  23 -11.068  -9.854  18.555
 1102    HG   LEU  23           HG       LEU  23  -9.134 -10.582  16.858
 1103   HD11  LEU  23          HD11      LEU  23  -8.625 -13.043  17.184
 1104   HD12  LEU  23          HD12      LEU  23  -7.776 -12.012  18.325
 1105   HD13  LEU  23          HD13      LEU  23  -9.218 -12.908  18.847
 1106   HD21  LEU  23          HD21      LEU  23 -11.532 -11.000  16.571
 1107   HD22  LEU  23          HD22      LEU  23 -10.593 -12.428  16.116
 1108   HD23  LEU  23          HD23      LEU  23 -11.446 -12.394  17.674
 1109    H    THR  24           H        THR  24  -8.249 -10.480  21.147
 1110    HA   THR  24           HA       THR  24  -5.581 -10.918  19.979
 1111    HB   THR  24           HB       THR  24  -4.313 -10.411  21.762
 1112    HG1  THR  24           HG1      THR  24  -5.074 -10.170  23.851
 1113   HG21  THR  24          HG21      THR  24  -5.292  -8.299  20.830
 1114   HG22  THR  24          HG22      THR  24  -6.530  -8.345  22.112
 1115   HG23  THR  24          HG23      THR  24  -4.815  -8.168  22.533
 1116    H    GLU  25           H        GLU  25  -4.390 -12.778  20.541
 1117    HA   GLU  25           HA       GLU  25  -6.143 -15.090  20.862
 1118    HB2  GLU  25           HB2      GLU  25  -4.343 -15.035  19.197
 1119    HB3  GLU  25           HB3      GLU  25  -3.145 -14.804  20.463
 1120    HG2  GLU  25           HG2      GLU  25  -3.089 -17.074  19.644
 1121    HG3  GLU  25           HG3      GLU  25  -3.534 -17.047  21.340
 1122    H    TYR  26           H        TYR  26  -4.001 -13.340  22.998
 1123    HA   TYR  26           HA       TYR  26  -4.219 -15.439  25.067
 1124    HB2  TYR  26           HB2      TYR  26  -1.776 -13.909  24.285
 1125    HB3  TYR  26           HB3      TYR  26  -1.951 -14.646  25.864
 1126    HD1  TYR  26           HD1      TYR  26  -2.412 -17.138  26.069
 1127    HD2  TYR  26           HD2      TYR  26  -1.136 -15.268  22.400
 1128    HE1  TYR  26           HE1      TYR  26  -1.639 -19.352  25.212
 1129    HE2  TYR  26           HE2      TYR  26  -0.359 -17.478  21.544
 1130    HH   TYR  26           HH       TYR  26  -0.573 -20.469  23.518
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  -6.760   1.818   6.302
    2    H2   MET   1           H2       MET   1  -7.703   0.582   6.761
    3    H3   MET   1           H3       MET   1  -7.616   0.971   5.161
    4    HA   MET   1           HA       MET   1  -8.649   2.815   7.248
    5    HB2  MET   1           HB2      MET   1  -7.814   3.978   5.285
    6    HB3  MET   1           HB3      MET   1  -8.752   2.951   4.202
    7    HG2  MET   1           HG2      MET   1 -10.846   3.887   5.110
    8    HG3  MET   1           HG3      MET   1  -9.924   4.876   6.253
    9    HE1  MET   1           HE1      MET   1 -11.258   7.022   5.441
   10    HE2  MET   1           HE2      MET   1 -11.399   7.510   3.737
   11    HE3  MET   1           HE3      MET   1 -12.174   6.010   4.290
   12    HA   PRO   2           HA       PRO   2 -12.154  -0.092   7.049
   13    HB2  PRO   2           HB2      PRO   2 -13.544   0.954   9.177
   14    HB3  PRO   2           HB3      PRO   2 -12.232  -0.252   9.338
   15    HG2  PRO   2           HG2      PRO   2 -12.118   2.741   9.725
   16    HG3  PRO   2           HG3      PRO   2 -11.333   1.462  10.703
   17    HD2  PRO   2           HD2      PRO   2 -10.039   2.922   8.779
   18    HD3  PRO   2           HD3      PRO   2  -9.586   1.234   9.180
   19    H    SER   3           H        SER   3 -13.811   0.274   5.678
   20    HA   SER   3           HA       SER   3 -15.322   2.732   5.405
   21    HB2  SER   3           HB2      SER   3 -13.134   3.480   4.451
   22    HB3  SER   3           HB3      SER   3 -13.164   2.109   3.338
   23    HG   SER   3           HG       SER   3 -14.940   4.356   3.421
   24    H    GLU   4           H        GLU   4 -16.813   2.636   3.548
   25    HA   GLU   4           HA       GLU   4 -17.750  -0.046   2.813
   26    HB2  GLU   4           HB2      GLU   4 -18.447   2.673   1.624
   27    HB3  GLU   4           HB3      GLU   4 -19.314   1.151   1.369
   28    HG2  GLU   4           HG2      GLU   4 -19.787   1.074   3.844
   29    HG3  GLU   4           HG3      GLU   4 -19.081   2.682   3.993
   30    H    LYS   5           H        LYS   5 -15.437   2.223   1.548
   31    HA   LYS   5           HA       LYS   5 -15.278   0.958  -1.140
   32    HB2  LYS   5           HB2      LYS   5 -14.043   3.474   0.032
   33    HB3  LYS   5           HB3      LYS   5 -13.718   2.881  -1.604
   34    HG2  LYS   5           HG2      LYS   5 -16.117   3.068  -2.164
   35    HG3  LYS   5           HG3      LYS   5 -16.464   3.672  -0.535
   36    HD2  LYS   5           HD2      LYS   5 -14.965   5.612  -0.921
   37    HD3  LYS   5           HD3      LYS   5 -14.634   5.026  -2.564
   38    HE2  LYS   5           HE2      LYS   5 -17.057   5.193  -3.114
   39    HE3  LYS   5           HE3      LYS   5 -17.394   5.760  -1.473
   40    HZ1  LYS   5           HZ1      LYS   5 -16.011   7.725  -1.935
   41    HZ2  LYS   5           HZ2      LYS   5 -15.690   7.201  -3.451
   42    HZ3  LYS   5           HZ3      LYS   5 -17.211   7.618  -3.032
   43    H    THR   6           H        THR   6 -13.097   0.603  -2.046
   44    HA   THR   6           HA       THR   6 -11.747  -1.357  -0.514
   45    HB   THR   6           HB       THR   6 -10.538  -1.963  -2.335
   46    HG1  THR   6           HG1      THR   6 -10.001  -0.466  -4.000
   47   HG21  THR   6          HG21      THR   6 -11.855  -1.837  -4.329
   48   HG22  THR   6          HG22      THR   6 -12.987  -1.918  -2.976
   49   HG23  THR   6          HG23      THR   6 -12.684  -0.363  -3.794
   50    H    PHE   7           H        PHE   7  -9.450  -1.645  -0.057
   51    HA   PHE   7           HA       PHE   7  -8.479   0.421   1.673
   52    HB2  PHE   7           HB2      PHE   7  -6.688  -1.017   2.093
   53    HB3  PHE   7           HB3      PHE   7  -7.940  -2.140   1.614
   54    HD1  PHE   7           HD1      PHE   7  -4.762  -0.517   0.661
   55    HD2  PHE   7           HD2      PHE   7  -7.668  -3.488  -0.462
   56    HE1  PHE   7           HE1      PHE   7  -3.195  -1.396  -1.041
   57    HE2  PHE   7           HE2      PHE   7  -6.112  -4.359  -2.177
   58    HZ   PHE   7           HZ       PHE   7  -3.874  -3.324  -2.476
   59    H    LYS   8           H        LYS   8  -8.151   0.097  -1.820
   60    HA   LYS   8           HA       LYS   8  -5.682   1.519  -2.211
   61    HB2  LYS   8           HB2      LYS   8  -6.808   0.045  -3.875
   62    HB3  LYS   8           HB3      LYS   8  -8.122   1.211  -4.011
   63    HG2  LYS   8           HG2      LYS   8  -6.667   1.343  -5.916
   64    HG3  LYS   8           HG3      LYS   8  -6.632   2.858  -5.030
   65    HD2  LYS   8           HD2      LYS   8  -4.461   2.191  -3.987
   66    HD3  LYS   8           HD3      LYS   8  -4.493   0.673  -4.890
   67    HE2  LYS   8           HE2      LYS   8  -4.427   3.484  -6.098
   68    HE3  LYS   8           HE3      LYS   8  -3.016   2.448  -5.879
   69    HZ1  LYS   8           HZ1      LYS   8  -5.322   1.838  -7.666
   70    HZ2  LYS   8           HZ2      LYS   8  -3.827   2.263  -8.137
   71    HZ3  LYS   8           HZ3      LYS   8  -4.054   0.823  -7.414
   72    H    GLN   9           H        GLN   9  -8.749   2.643  -1.201
   73    HA   GLN   9           HA       GLN   9  -8.679   5.406  -1.858
   74    HB2  GLN   9           HB2      GLN   9 -10.568   4.100  -0.925
   75    HB3  GLN   9           HB3      GLN   9  -9.688   3.922   0.603
   76    HG2  GLN   9           HG2      GLN   9  -9.869   6.332   1.014
   77    HG3  GLN   9           HG3      GLN   9 -10.620   6.572  -0.577
   78   HE21  GLN   9          HE21      GLN   9 -11.454   3.783   1.543
   79   HE22  GLN   9          HE22      GLN   9 -13.055   4.386   1.935
   80    H    ARG  10           H        ARG  10  -6.729   3.581   0.473
   81    HA   ARG  10           HA       ARG  10  -5.414   6.141   1.326
   82    HB2  ARG  10           HB2      ARG  10  -6.759   5.309   3.155
   83    HB3  ARG  10           HB3      ARG  10  -5.972   3.724   3.081
   84    HG2  ARG  10           HG2      ARG  10  -3.820   4.716   3.708
   85    HG3  ARG  10           HG3      ARG  10  -4.513   6.348   3.629
   86    HD2  ARG  10           HD2      ARG  10  -5.954   5.863   5.559
   87    HD3  ARG  10           HD3      ARG  10  -5.357   4.186   5.599
   88    HE   ARG  10           HE       ARG  10  -3.479   6.505   5.871
   89   HH11  ARG  10          HH11      ARG  10  -1.748   4.773   8.282
   90   HH12  ARG  10          HH12      ARG  10  -1.729   6.178   7.227
   91   HH21  ARG  10          HH21      ARG  10  -4.901   3.782   7.694
   92   HH22  ARG  10          HH22      ARG  10  -3.449   3.730   8.691
   93    H    ARG  11           H        ARG  11  -4.654   2.602   1.122
   94    HA   ARG  11           HA       ARG  11  -1.775   3.370   1.062
   95    HB2  ARG  11           HB2      ARG  11  -3.182   0.713   1.586
   96    HB3  ARG  11           HB3      ARG  11  -1.441   0.880   1.525
   97    HG2  ARG  11           HG2      ARG  11  -3.285   2.236   3.544
   98    HG3  ARG  11           HG3      ARG  11  -2.259   0.837   3.811
   99    HD2  ARG  11           HD2      ARG  11  -0.340   2.560   2.956
  100    HD3  ARG  11           HD3      ARG  11  -1.501   3.735   3.545
  101    HE   ARG  11           HE       ARG  11  -1.030   3.110   5.739
  102   HH11  ARG  11          HH11      ARG  11   0.245   2.184   7.332
  103   HH12  ARG  11          HH12      ARG  11   1.205   0.740   6.896
  104   HH21  ARG  11          HH21      ARG  11   1.323  -0.004   5.074
  105   HH22  ARG  11          HH22      ARG  11   0.284   0.482   3.734
  106    H    THR  12           H        THR  12  -0.252   2.154  -0.158
  107    HA   THR  12           HA       THR  12  -1.092   1.392  -2.898
  108    HB   THR  12           HB       THR  12   0.520   2.649  -3.947
  109    HG1  THR  12           HG1      THR  12   2.241   3.631  -2.835
  110   HG21  THR  12          HG21      THR  12  -0.141   4.501  -1.615
  111   HG22  THR  12          HG22      THR  12   0.322   4.959  -3.267
  112   HG23  THR  12          HG23      THR  12  -1.239   4.173  -2.975
  113    H    PHE  13           H        PHE  13   0.771   0.284  -4.162
  114    HA   PHE  13           HA       PHE  13   1.369  -2.136  -2.969
  115    HB2  PHE  13           HB2      PHE  13   1.381  -2.121  -5.262
  116    HB3  PHE  13           HB3      PHE  13   2.474  -0.748  -5.368
  117    HD1  PHE  13           HD1      PHE  13   4.926  -1.013  -5.129
  118    HD2  PHE  13           HD2      PHE  13   2.263  -4.392  -4.990
  119    HE1  PHE  13           HE1      PHE  13   6.862  -2.549  -5.382
  120    HE2  PHE  13           HE2      PHE  13   4.194  -5.931  -5.234
  121    HZ   PHE  13           HZ       PHE  13   6.499  -5.011  -5.424
  122    H    GLU  14           H        GLU  14   3.753   0.524  -3.157
  123    HA   GLU  14           HA       GLU  14   5.834  -0.943  -1.818
  124    HB2  GLU  14           HB2      GLU  14   5.353   2.063  -1.965
  125    HB3  GLU  14           HB3      GLU  14   6.833   1.278  -1.395
  126    HG2  GLU  14           HG2      GLU  14   7.041   0.155  -3.639
  127    HG3  GLU  14           HG3      GLU  14   5.678   1.126  -4.207
  128    H    GLN  15           H        GLN  15   3.137   1.008  -0.575
  129    HA   GLN  15           HA       GLN  15   4.085   0.942   2.186
  130    HB2  GLN  15           HB2      GLN  15   1.324   1.596   1.090
  131    HB3  GLN  15           HB3      GLN  15   1.924   1.939   2.716
  132    HG2  GLN  15           HG2      GLN  15   2.988   3.181   0.149
  133    HG3  GLN  15           HG3      GLN  15   1.931   3.954   1.314
  134   HE21  GLN  15          HE21      GLN  15   5.523   4.971   1.933
  135   HE22  GLN  15          HE22      GLN  15   4.528   4.964   0.481
  136    H    ARG  16           H        ARG  16   1.854  -1.128   0.255
  137    HA   ARG  16           HA       ARG  16   1.116  -2.837   2.501
  138    HB2  ARG  16           HB2      ARG  16   1.229  -3.352  -0.497
  139    HB3  ARG  16           HB3      ARG  16   0.778  -4.583   0.671
  140    HG2  ARG  16           HG2      ARG  16  -0.923  -2.544   1.411
  141    HG3  ARG  16           HG3      ARG  16  -0.789  -2.265  -0.328
  142    HD2  ARG  16           HD2      ARG  16  -1.590  -4.872   1.052
  143    HD3  ARG  16           HD3      ARG  16  -2.697  -3.751   0.261
  144    HE   ARG  16           HE       ARG  16  -0.771  -4.483  -1.691
  145   HH11  ARG  16          HH11      ARG  16  -2.911  -7.713  -1.040
  146   HH12  ARG  16          HH12      ARG  16  -3.180  -6.399   0.117
  147   HH21  ARG  16          HH21      ARG  16  -0.809  -6.205  -3.055
  148   HH22  ARG  16          HH22      ARG  16  -1.720  -7.615  -2.551
  149    H    VAL  17           H        VAL  17   3.782  -3.015   0.108
  150    HA   VAL  17           HA       VAL  17   5.020  -5.388   1.120
  151    HB   VAL  17           HB       VAL  17   6.145  -2.961  -0.333
  152   HG11  VAL  17          HG11      VAL  17   8.139  -4.366  -0.841
  153   HG12  VAL  17          HG12      VAL  17   8.042  -3.941   0.870
  154   HG13  VAL  17          HG13      VAL  17   7.572  -5.573   0.334
  155   HG21  VAL  17          HG21      VAL  17   4.555  -4.469  -1.577
  156   HG22  VAL  17          HG22      VAL  17   6.179  -4.438  -2.264
  157   HG23  VAL  17          HG23      VAL  17   5.666  -5.819  -1.273
  158    H    GLU  18           H        GLU  18   5.610  -1.909   2.052
  159    HA   GLU  18           HA       GLU  18   7.434  -2.562   4.149
  160    HB2  GLU  18           HB2      GLU  18   5.616  -0.185   3.654
  161    HB3  GLU  18           HB3      GLU  18   6.514  -0.330   5.165
  162    HG2  GLU  18           HG2      GLU  18   7.770  -0.272   2.400
  163    HG3  GLU  18           HG3      GLU  18   7.698   1.066   3.561
  164    H    ASP  19           H        ASP  19   3.838  -2.202   4.387
  165    HA   ASP  19           HA       ASP  19   3.658  -2.886   7.115
  166    HB2  ASP  19           HB2      ASP  19   1.759  -3.378   4.846
  167    HB3  ASP  19           HB3      ASP  19   1.460  -4.053   6.438
  168    H    VAL  20           H        VAL  20   3.657  -5.270   4.403
  169    HA   VAL  20           HA       VAL  20   3.591  -7.575   6.085
  170    HB   VAL  20           HB       VAL  20   4.846  -7.193   3.327
  171   HG11  VAL  20          HG11      VAL  20   4.597  -9.661   3.076
  172   HG12  VAL  20          HG12      VAL  20   5.796  -9.239   4.292
  173   HG13  VAL  20          HG13      VAL  20   4.181  -9.791   4.791
  174   HG21  VAL  20          HG21      VAL  20   2.160  -8.409   4.114
  175   HG22  VAL  20          HG22      VAL  20   2.383  -6.770   3.487
  176   HG23  VAL  20          HG23      VAL  20   2.786  -8.150   2.471
  177    H    ARG  21           H        ARG  21   6.462  -5.795   4.775
  178    HA   ARG  21           HA       ARG  21   8.446  -7.523   5.875
  179    HB2  ARG  21           HB2      ARG  21   8.830  -5.729   4.159
  180    HB3  ARG  21           HB3      ARG  21   8.599  -4.504   5.409
  181    HG2  ARG  21           HG2      ARG  21  10.568  -5.499   6.661
  182    HG3  ARG  21           HG3      ARG  21  10.775  -6.642   5.329
  183    HD2  ARG  21           HD2      ARG  21  12.354  -4.894   4.940
  184    HD3  ARG  21           HD3      ARG  21  11.064  -4.671   3.777
  185    HE   ARG  21           HE       ARG  21  10.510  -2.638   4.726
  186   HH11  ARG  21          HH11      ARG  21  12.786  -4.182   6.935
  187   HH12  ARG  21          HH12      ARG  21  12.939  -2.742   7.894
  188   HH21  ARG  21          HH21      ARG  21  10.684  -0.911   6.011
  189   HH22  ARG  21          HH22      ARG  21  11.816  -0.901   7.348
  190    H    LEU  22           H        LEU  22   7.031  -4.556   7.285
  191    HA   LEU  22           HA       LEU  22   8.467  -4.702   9.775
  192    HB2  LEU  22           HB2      LEU  22   5.857  -3.344   8.965
  193    HB3  LEU  22           HB3      LEU  22   6.630  -3.090  10.531
  194    HG   LEU  22           HG       LEU  22   8.128  -2.582   7.932
  195   HD11  LEU  22          HD11      LEU  22   6.504  -0.528   9.486
  196   HD12  LEU  22          HD12      LEU  22   7.527  -0.230   8.055
  197   HD13  LEU  22          HD13      LEU  22   6.066  -1.200   7.898
  198   HD21  LEU  22          HD21      LEU  22   8.479  -1.468  10.740
  199   HD22  LEU  22          HD22      LEU  22   9.495  -2.707   9.974
  200   HD23  LEU  22          HD23      LEU  22   9.463  -1.064   9.317
  201    H    ILE  23           H        ILE  23   5.107  -5.699   8.965
  202    HA   ILE  23           HA       ILE  23   4.495  -6.609  11.602
  203    HB   ILE  23           HB       ILE  23   3.208  -6.775   8.907
  204   HG12  ILE  23          HG12      ILE  23   1.347  -5.724  10.092
  205   HG13  ILE  23          HG13      ILE  23   2.161  -5.974  11.645
  206   HG21  ILE  23          HG21      ILE  23   2.747  -9.020   9.539
  207   HG22  ILE  23          HG22      ILE  23   2.187  -8.500  11.163
  208   HG23  ILE  23          HG23      ILE  23   1.299  -8.031   9.684
  209   HD11  ILE  23          HD11      ILE  23   3.064  -4.075   9.440
  210   HD12  ILE  23          HD12      ILE  23   2.233  -3.634  10.933
  211   HD13  ILE  23          HD13      ILE  23   3.871  -4.295  11.012
  212    H    ARG  24           H        ARG  24   5.746  -8.507   8.818
  213    HA   ARG  24           HA       ARG  24   5.691 -11.013  10.320
  214    HB2  ARG  24           HB2      ARG  24   7.278 -10.168   7.854
  215    HB3  ARG  24           HB3      ARG  24   7.228 -11.808   8.485
  216    HG2  ARG  24           HG2      ARG  24   4.791 -10.275   7.474
  217    HG3  ARG  24           HG3      ARG  24   5.719 -11.444   6.541
  218    HD2  ARG  24           HD2      ARG  24   4.134 -12.038   9.068
  219    HD3  ARG  24           HD3      ARG  24   3.637 -12.415   7.414
  220    HE   ARG  24           HE       ARG  24   5.767 -13.822   7.284
  221   HH11  ARG  24          HH11      ARG  24   3.717 -13.699  10.155
  222   HH12  ARG  24          HH12      ARG  24   4.472 -15.117  10.835
  223   HH21  ARG  24          HH21      ARG  24   6.622 -15.657   8.218
  224   HH22  ARG  24          HH22      ARG  24   5.960 -16.255   9.708
  225    H    GLU  25           H        GLU  25   8.147  -8.441  10.050
  226    HA   GLU  25           HA       GLU  25  10.118  -9.928  11.580
  227    HB2  GLU  25           HB2      GLU  25   9.812  -7.003  10.858
  228    HB3  GLU  25           HB3      GLU  25  11.098  -7.557  11.916
  229    HG2  GLU  25           HG2      GLU  25  10.627  -8.647   9.107
  230    HG3  GLU  25           HG3      GLU  25  11.727  -7.322   9.490
  231    H    GLN  26           H        GLN  26   7.801  -7.315  12.614
  232    HA   GLN  26           HA       GLN  26   8.690  -7.624  15.361
  233    HB2  GLN  26           HB2      GLN  26   7.049  -6.039  15.986
  234    HB3  GLN  26           HB3      GLN  26   7.983  -5.455  14.619
  235    HG2  GLN  26           HG2      GLN  26   6.154  -5.472  13.165
  236    HG3  GLN  26           HG3      GLN  26   5.282  -6.712  14.074
  237   HE21  GLN  26          HE21      GLN  26   3.354  -3.721  14.773
  238   HE22  GLN  26          HE22      GLN  26   3.507  -4.980  13.559
  239    H    HIS  27           H        HIS  27   6.041  -9.116  13.565
  240    HA   HIS  27           HA       HIS  27   5.313 -10.713  15.995
  241    HB2  HIS  27           HB2      HIS  27   3.329  -9.397  14.105
  242    HB3  HIS  27           HB3      HIS  27   2.934 -10.456  15.455
  243    HD1  HIS  27           HD1      HIS  27   4.563  -9.143  17.816
  244    HD2  HIS  27           HD2      HIS  27   2.273  -7.152  14.883
  245    HE1  HIS  27           HE1      HIS  27   3.815  -6.924  18.874
  246    HE2  HIS  27           HE2      HIS  27   2.427  -5.707  17.082
  247    HA   PRO  28           HA       PRO  28   6.134 -13.331  12.208
  248    HB2  PRO  28           HB2      PRO  28   7.644 -15.291  13.432
  249    HB3  PRO  28           HB3      PRO  28   8.293 -13.766  12.768
  250    HG2  PRO  28           HG2      PRO  28   7.512 -14.356  15.645
  251    HG3  PRO  28           HG3      PRO  28   9.038 -13.633  15.038
  252    HD2  PRO  28           HD2      PRO  28   7.059 -12.073  15.971
  253    HD3  PRO  28           HD3      PRO  28   7.954 -11.591  14.499
  254    H    THR  29           H        THR  29   4.660 -14.024  15.336
  255    HA   THR  29           HA       THR  29   3.363 -16.478  14.466
  256    HB   THR  29           HB       THR  29   2.202 -16.483  16.499
  257    HG1  THR  29           HG1      THR  29   2.111 -14.642  17.826
  258   HG21  THR  29          HG21      THR  29   4.842 -15.134  17.229
  259   HG22  THR  29          HG22      THR  29   3.893 -16.278  18.194
  260   HG23  THR  29          HG23      THR  29   4.699 -16.833  16.717
  261    H    LYS  30           H        LYS  30   2.748 -13.270  13.556
  262    HA   LYS  30           HA       LYS  30  -0.115 -13.878  12.972
  263    HB2  LYS  30           HB2      LYS  30   1.247 -11.240  13.578
  264    HB3  LYS  30           HB3      LYS  30  -0.358 -11.338  12.841
  265    HG2  LYS  30           HG2      LYS  30  -1.252 -12.568  14.728
  266    HG3  LYS  30           HG3      LYS  30   0.343 -12.681  15.483
  267    HD2  LYS  30           HD2      LYS  30   0.420 -10.267  15.838
  268    HD3  LYS  30           HD3      LYS  30  -1.100 -10.047  14.947
  269    HE2  LYS  30           HE2      LYS  30  -2.335 -11.344  16.618
  270    HE3  LYS  30           HE3      LYS  30  -0.845 -11.745  17.481
  271    HZ1  LYS  30           HZ1      LYS  30  -1.880  -8.952  17.178
  272    HZ2  LYS  30           HZ2      LYS  30  -2.092  -9.865  18.515
  273    HZ3  LYS  30           HZ3      LYS  30  -0.582  -9.408  18.071
  274    H    ILE  31           H        ILE  31  -1.057 -13.228  11.110
  275    HA   ILE  31           HA       ILE  31   0.720 -13.331   8.712
  276    HB   ILE  31           HB       ILE  31  -1.988 -14.581   9.307
  277   HG12  ILE  31          HG12      ILE  31  -0.227 -15.744  10.526
  278   HG13  ILE  31          HG13      ILE  31  -0.859 -16.730   9.226
  279   HG21  ILE  31          HG21      ILE  31  -0.278 -14.696   6.806
  280   HG22  ILE  31          HG22      ILE  31  -1.633 -15.802   7.156
  281   HG23  ILE  31          HG23      ILE  31  -1.936 -14.079   6.956
  282   HD11  ILE  31          HD11      ILE  31   1.805 -15.250   9.135
  283   HD12  ILE  31          HD12      ILE  31   1.568 -16.977   9.415
  284   HD13  ILE  31          HD13      ILE  31   1.141 -16.276   7.848
  285    HA   PRO  32           HA       PRO  32  -1.579  -9.576   7.627
  286    HB2  PRO  32           HB2      PRO  32  -0.241  -8.837   5.376
  287    HB3  PRO  32           HB3      PRO  32   0.507  -8.783   6.996
  288    HG2  PRO  32           HG2      PRO  32   0.760 -10.968   4.901
  289    HG3  PRO  32           HG3      PRO  32   2.069 -10.155   5.815
  290    HD2  PRO  32           HD2      PRO  32   1.016 -12.560   6.573
  291    HD3  PRO  32           HD3      PRO  32   1.599 -11.348   7.762
  292    H    VAL  33           H        VAL  33  -3.624  -9.708   6.920
  293    HA   VAL  33           HA       VAL  33  -4.237 -10.920   4.264
  294    HB   VAL  33           HB       VAL  33  -5.983 -11.184   6.692
  295   HG11  VAL  33          HG11      VAL  33  -7.213 -11.478   4.597
  296   HG12  VAL  33          HG12      VAL  33  -6.009 -12.658   4.031
  297   HG13  VAL  33          HG13      VAL  33  -7.044 -13.024   5.420
  298   HG21  VAL  33          HG21      VAL  33  -3.952 -13.192   5.667
  299   HG22  VAL  33          HG22      VAL  33  -4.018 -12.429   7.264
  300   HG23  VAL  33          HG23      VAL  33  -5.268 -13.581   6.794
  301    H    ILE  34           H        ILE  34  -5.901 -10.000   3.041
  302    HA   ILE  34           HA       ILE  34  -7.207  -7.534   4.116
  303    HB   ILE  34           HB       ILE  34  -5.518  -7.806   1.665
  304   HG12  ILE  34          HG12      ILE  34  -6.267  -5.374   3.327
  305   HG13  ILE  34          HG13      ILE  34  -5.037  -6.516   3.871
  306   HG21  ILE  34          HG21      ILE  34  -7.959  -5.963   1.687
  307   HG22  ILE  34          HG22      ILE  34  -6.643  -5.939   0.500
  308   HG23  ILE  34          HG23      ILE  34  -7.697  -7.340   0.589
  309   HD11  ILE  34          HD11      ILE  34  -3.681  -6.067   1.863
  310   HD12  ILE  34          HD12      ILE  34  -4.866  -4.835   1.344
  311   HD13  ILE  34          HD13      ILE  34  -3.954  -4.622   2.845
  312    H    ILE  35           H        ILE  35  -9.287  -7.207   3.622
  313    HA   ILE  35           HA       ILE  35 -10.663  -9.380   2.128
  314    HB   ILE  35           HB       ILE  35 -11.194  -9.414   4.497
  315   HG12  ILE  35          HG12      ILE  35 -13.609  -8.568   2.819
  316   HG13  ILE  35          HG13      ILE  35 -12.811 -10.143   2.718
  317   HG21  ILE  35          HG21      ILE  35 -12.544  -7.670   5.589
  318   HG22  ILE  35          HG22      ILE  35 -11.043  -6.968   4.996
  319   HG23  ILE  35          HG23      ILE  35 -12.571  -6.715   4.107
  320   HD11  ILE  35          HD11      ILE  35 -14.255  -9.009   5.156
  321   HD12  ILE  35          HD12      ILE  35 -14.696 -10.415   4.196
  322   HD13  ILE  35          HD13      ILE  35 -13.237 -10.467   5.201
  323    H    GLU  36           H        GLU  36 -11.766  -8.826   0.355
  324    HA   GLU  36           HA       GLU  36 -12.787  -6.054   0.044
  325    HB2  GLU  36           HB2      GLU  36 -10.970  -7.488  -1.931
  326    HB3  GLU  36           HB3      GLU  36 -12.025  -6.171  -2.412
  327    HG2  GLU  36           HG2      GLU  36  -9.778  -5.976  -0.366
  328    HG3  GLU  36           HG3      GLU  36  -9.727  -5.419  -2.027
  329    H    ARG  37           H        ARG  37 -14.747  -5.903  -0.932
  330    HA   ARG  37           HA       ARG  37 -16.285  -8.299  -1.343
  331    HB2  ARG  37           HB2      ARG  37 -17.317  -6.238  -0.613
  332    HB3  ARG  37           HB3      ARG  37 -16.793  -5.387  -2.060
  333    HG2  ARG  37           HG2      ARG  37 -19.129  -5.787  -2.273
  334    HG3  ARG  37           HG3      ARG  37 -18.306  -6.813  -3.437
  335    HD2  ARG  37           HD2      ARG  37 -18.507  -8.545  -1.309
  336    HD3  ARG  37           HD3      ARG  37 -19.898  -7.502  -0.997
  337    HE   ARG  37           HE       ARG  37 -19.889  -8.301  -3.786
  338   HH11  ARG  37          HH11      ARG  37 -21.363  -9.698  -4.554
  339   HH12  ARG  37          HH12      ARG  37 -22.175 -10.861  -3.508
  340   HH21  ARG  37          HH21      ARG  37 -20.435  -9.832  -0.682
  341   HH22  ARG  37          HH22      ARG  37 -21.623 -10.936  -1.342
  342    H    TYR  38           H        TYR  38 -17.002  -9.344  -3.140
  343    HA   TYR  38           HA       TYR  38 -15.367  -9.586  -5.351
  344    HB2  TYR  38           HB2      TYR  38 -16.633 -11.419  -4.810
  345    HB3  TYR  38           HB3      TYR  38 -18.134 -10.521  -4.780
  346    HD1  TYR  38           HD1      TYR  38 -19.601 -10.511  -6.633
  347    HD2  TYR  38           HD2      TYR  38 -15.525 -11.861  -7.099
  348    HE1  TYR  38           HE1      TYR  38 -20.109 -11.301  -8.943
  349    HE2  TYR  38           HE2      TYR  38 -16.045 -12.646  -9.392
  350    HH   TYR  38           HH       TYR  38 -17.644 -12.812 -11.053
  351    H    LYS  39           H        LYS  39 -15.076  -8.916  -7.364
  352    HA   LYS  39           HA       LYS  39 -15.837  -6.222  -7.905
  353    HB2  LYS  39           HB2      LYS  39 -14.495  -8.319  -9.665
  354    HB3  LYS  39           HB3      LYS  39 -14.651  -6.612 -10.091
  355    HG2  LYS  39           HG2      LYS  39 -13.383  -5.958  -8.072
  356    HG3  LYS  39           HG3      LYS  39 -13.170  -7.667  -7.641
  357    HD2  LYS  39           HD2      LYS  39 -11.967  -8.055  -9.782
  358    HD3  LYS  39           HD3      LYS  39 -12.176  -6.344 -10.211
  359    HE2  LYS  39           HE2      LYS  39 -10.915  -5.690  -8.156
  360    HE3  LYS  39           HE3      LYS  39 -10.686  -7.399  -7.760
  361    HZ1  LYS  39           HZ1      LYS  39  -8.744  -6.490  -8.916
  362    HZ2  LYS  39           HZ2      LYS  39  -9.424  -7.645  -9.849
  363    HZ3  LYS  39           HZ3      LYS  39  -9.641  -6.066 -10.213
  364    H    GLY  40           H        GLY  40 -17.223  -9.220  -9.155
  365    HA2  GLY  40           HA2      GLY  40 -18.629  -8.007 -11.362
  366    HA3  GLY  40           HA3      GLY  40 -18.887  -9.619 -10.704
  367    H    GLU  41           H        GLU  41 -19.505  -8.388  -7.944
  368    HA   GLU  41           HA       GLU  41 -21.972  -6.897  -8.338
  369    HB2  GLU  41           HB2      GLU  41 -22.812  -9.065  -9.031
  370    HB3  GLU  41           HB3      GLU  41 -22.026  -9.855  -7.673
  371    HG2  GLU  41           HG2      GLU  41 -24.364  -9.838  -7.292
  372    HG3  GLU  41           HG3      GLU  41 -23.582  -8.824  -6.102
  373    H    LYS  42           H        LYS  42 -22.248  -5.607  -6.629
  374    HA   LYS  42           HA       LYS  42 -21.147  -6.342  -3.946
  375    HB2  LYS  42           HB2      LYS  42 -22.189  -3.689  -4.968
  376    HB3  LYS  42           HB3      LYS  42 -21.490  -4.010  -3.375
  377    HG2  LYS  42           HG2      LYS  42 -19.361  -4.793  -4.608
  378    HG3  LYS  42           HG3      LYS  42 -20.073  -4.097  -6.072
  379    HD2  LYS  42           HD2      LYS  42 -20.193  -1.870  -4.928
  380    HD3  LYS  42           HD3      LYS  42 -19.517  -2.596  -3.471
  381    HE2  LYS  42           HE2      LYS  42 -17.733  -1.437  -4.542
  382    HE3  LYS  42           HE3      LYS  42 -17.416  -3.158  -4.726
  383    HZ1  LYS  42           HZ1      LYS  42 -18.264  -2.993  -7.036
  384    HZ2  LYS  42           HZ2      LYS  42 -18.620  -1.404  -6.831
  385    HZ3  LYS  42           HZ3      LYS  42 -17.068  -1.906  -6.813
  386    H    GLN  43           H        GLN  43 -23.206  -7.940  -4.504
  387    HA   GLN  43           HA       GLN  43 -25.812  -7.020  -3.860
  388    HB2  GLN  43           HB2      GLN  43 -25.492  -9.136  -4.948
  389    HB3  GLN  43           HB3      GLN  43 -24.541  -9.782  -3.599
  390    HG2  GLN  43           HG2      GLN  43 -26.502  -9.710  -2.153
  391    HG3  GLN  43           HG3      GLN  43 -27.452  -8.935  -3.424
  392   HE21  GLN  43          HE21      GLN  43 -28.181 -12.655  -3.299
  393   HE22  GLN  43          HE22      GLN  43 -28.206 -11.387  -2.082
  394    H    LEU  44           H        LEU  44 -23.409  -8.557  -1.705
  395    HA   LEU  44           HA       LEU  44 -25.024  -7.868   0.678
  396    HB2  LEU  44           HB2      LEU  44 -22.409  -9.357   0.539
  397    HB3  LEU  44           HB3      LEU  44 -23.477  -9.211   1.929
  398    HG   LEU  44           HG       LEU  44 -23.965 -10.808  -0.611
  399   HD11  LEU  44          HD11      LEU  44 -23.600 -11.606   2.306
  400   HD12  LEU  44          HD12      LEU  44 -23.953 -12.719   0.970
  401   HD13  LEU  44          HD13      LEU  44 -22.416 -11.839   1.003
  402   HD21  LEU  44          HD21      LEU  44 -26.046 -11.615   0.478
  403   HD22  LEU  44          HD22      LEU  44 -25.781 -10.481   1.820
  404   HD23  LEU  44          HD23      LEU  44 -26.133  -9.871   0.190
  405    HA   PRO  45           HA       PRO  45 -22.752  -4.146   1.079
  406    HB2  PRO  45           HB2      PRO  45 -23.365  -3.336   3.613
  407    HB3  PRO  45           HB3      PRO  45 -24.573  -3.461   2.299
  408    HG2  PRO  45           HG2      PRO  45 -23.983  -5.525   4.455
  409    HG3  PRO  45           HG3      PRO  45 -25.576  -4.856   3.972
  410    HD2  PRO  45           HD2      PRO  45 -24.647  -7.214   2.995
  411    HD3  PRO  45           HD3      PRO  45 -25.586  -6.082   1.972
  412    H    VAL  46           H        VAL  46 -20.880  -3.146   1.819
  413    HA   VAL  46           HA       VAL  46 -19.002  -4.728   3.542
  414    HB   VAL  46           HB       VAL  46 -18.486  -2.246   1.856
  415   HG11  VAL  46          HG11      VAL  46 -16.566  -4.062   3.395
  416   HG12  VAL  46          HG12      VAL  46 -16.099  -2.738   2.315
  417   HG13  VAL  46          HG13      VAL  46 -16.955  -2.378   3.809
  418   HG21  VAL  46          HG21      VAL  46 -17.696  -5.150   1.417
  419   HG22  VAL  46          HG22      VAL  46 -18.885  -4.238   0.452
  420   HG23  VAL  46          HG23      VAL  46 -17.185  -3.766   0.424
  421    H    LEU  47           H        LEU  47 -19.537  -4.387   5.651
  422    HA   LEU  47           HA       LEU  47 -20.824  -1.946   6.506
  423    HB2  LEU  47           HB2      LEU  47 -19.782  -4.391   7.990
  424    HB3  LEU  47           HB3      LEU  47 -20.393  -2.989   8.840
  425    HG   LEU  47           HG       LEU  47 -22.072  -4.661   8.748
  426   HD11  LEU  47          HD11      LEU  47 -22.793  -2.287   8.645
  427   HD12  LEU  47          HD12      LEU  47 -22.925  -2.432   6.873
  428   HD13  LEU  47          HD13      LEU  47 -23.960  -3.409   7.923
  429   HD21  LEU  47          HD21      LEU  47 -23.164  -5.457   6.748
  430   HD22  LEU  47          HD22      LEU  47 -22.111  -4.466   5.726
  431   HD23  LEU  47          HD23      LEU  47 -21.431  -5.823   6.653
  432    H    ASP  48           H        ASP  48 -17.575  -3.240   7.245
  433    HA   ASP  48           HA       ASP  48 -16.559  -0.529   7.639
  434    HB2  ASP  48           HB2      ASP  48 -17.680  -0.653   9.700
  435    HB3  ASP  48           HB3      ASP  48 -17.095  -2.280  10.013
  436    H    LYS  49           H        LYS  49 -15.529  -3.893   8.484
  437    HA   LYS  49           HA       LYS  49 -12.781  -3.041   8.482
  438    HB2  LYS  49           HB2      LYS  49 -14.015  -5.820   8.691
  439    HB3  LYS  49           HB3      LYS  49 -12.283  -5.522   8.711
  440    HG2  LYS  49           HG2      LYS  49 -12.485  -5.398  10.910
  441    HG3  LYS  49           HG3      LYS  49 -12.971  -3.738  10.621
  442    HD2  LYS  49           HD2      LYS  49 -15.414  -4.568  10.671
  443    HD3  LYS  49           HD3      LYS  49 -14.772  -6.160  11.093
  444    HE2  LYS  49           HE2      LYS  49 -15.228  -5.306  13.210
  445    HE3  LYS  49           HE3      LYS  49 -13.517  -4.921  13.024
  446    HZ1  LYS  49           HZ1      LYS  49 -14.416  -2.883  13.730
  447    HZ2  LYS  49           HZ2      LYS  49 -14.494  -2.651  12.101
  448    HZ3  LYS  49           HZ3      LYS  49 -15.831  -3.086  12.920
  449    H    THR  50           H        THR  50 -11.038  -3.707   7.394
  450    HA   THR  50           HA       THR  50 -11.303  -4.619   4.587
  451    HB   THR  50           HB       THR  50  -9.495  -2.304   4.897
  452    HG1  THR  50           HG1      THR  50 -11.166  -0.831   4.704
  453   HG21  THR  50          HG21      THR  50 -11.577  -3.064   2.811
  454   HG22  THR  50          HG22      THR  50 -10.384  -1.757   2.674
  455   HG23  THR  50          HG23      THR  50  -9.846  -3.450   2.723
  456    H    LYS  51           H        LYS  51  -9.169  -4.356   7.351
  457    HA   LYS  51           HA       LYS  51  -7.144  -6.099   5.968
  458    HB2  LYS  51           HB2      LYS  51  -6.611  -3.774   7.886
  459    HB3  LYS  51           HB3      LYS  51  -5.402  -4.934   7.350
  460    HG2  LYS  51           HG2      LYS  51  -5.647  -4.153   5.027
  461    HG3  LYS  51           HG3      LYS  51  -6.932  -3.043   5.517
  462    HD2  LYS  51           HD2      LYS  51  -4.900  -1.797   5.262
  463    HD3  LYS  51           HD3      LYS  51  -5.302  -1.845   6.986
  464    HE2  LYS  51           HE2      LYS  51  -3.608  -3.744   7.245
  465    HE3  LYS  51           HE3      LYS  51  -3.192  -3.532   5.535
  466    HZ1  LYS  51           HZ1      LYS  51  -1.635  -2.235   6.865
  467    HZ2  LYS  51           HZ2      LYS  51  -2.611  -1.162   6.144
  468    HZ3  LYS  51           HZ3      LYS  51  -2.846  -1.532   7.730
  469    H    PHE  52           H        PHE  52  -6.162  -7.663   7.284
  470    HA   PHE  52           HA       PHE  52  -6.486  -7.512  10.105
  471    HB2  PHE  52           HB2      PHE  52  -7.414  -9.890  10.355
  472    HB3  PHE  52           HB3      PHE  52  -8.410  -8.454  10.302
  473    HD1  PHE  52           HD1      PHE  52 -10.094  -8.111   8.617
  474    HD2  PHE  52           HD2      PHE  52  -7.395 -11.462   8.395
  475    HE1  PHE  52           HE1      PHE  52 -11.579  -9.213   6.981
  476    HE2  PHE  52           HE2      PHE  52  -8.884 -12.540   6.724
  477    HZ   PHE  52           HZ       PHE  52 -10.975 -11.427   6.018
  478    H    LEU  53           H        LEU  53  -5.058  -8.284  11.392
  479    HA   LEU  53           HA       LEU  53  -2.811  -9.920  10.289
  480    HB2  LEU  53           HB2      LEU  53  -3.190  -8.039  12.637
  481    HB3  LEU  53           HB3      LEU  53  -2.019  -9.330  12.765
  482    HG   LEU  53           HG       LEU  53  -0.695  -8.537  10.961
  483   HD11  LEU  53          HD11      LEU  53  -2.764  -6.340  10.548
  484   HD12  LEU  53          HD12      LEU  53  -1.160  -6.419   9.775
  485   HD13  LEU  53          HD13      LEU  53  -2.368  -7.649   9.406
  486   HD21  LEU  53          HD21      LEU  53  -0.313  -7.530  13.165
  487   HD22  LEU  53          HD22      LEU  53  -0.050  -6.308  11.913
  488   HD23  LEU  53          HD23      LEU  53  -1.544  -6.289  12.847
  489    H    VAL  54           H        VAL  54  -3.510 -12.006  10.313
  490    HA   VAL  54           HA       VAL  54  -5.212 -12.944  12.539
  491    HB   VAL  54           HB       VAL  54  -4.403 -14.674  10.232
  492   HG11  VAL  54          HG11      VAL  54  -6.553 -15.760  10.748
  493   HG12  VAL  54          HG12      VAL  54  -5.550 -15.676  12.205
  494   HG13  VAL  54          HG13      VAL  54  -6.899 -14.550  11.996
  495   HG21  VAL  54          HG21      VAL  54  -5.312 -12.669   9.173
  496   HG22  VAL  54          HG22      VAL  54  -6.474 -13.999   9.069
  497   HG23  VAL  54          HG23      VAL  54  -6.711 -12.700  10.258
  498    HA   PRO  55           HA       PRO  55  -1.692 -14.952  14.580
  499    HB2  PRO  55           HB2      PRO  55  -3.890 -16.376  16.062
  500    HB3  PRO  55           HB3      PRO  55  -2.422 -15.576  16.710
  501    HG2  PRO  55           HG2      PRO  55  -4.856 -14.388  16.902
  502    HG3  PRO  55           HG3      PRO  55  -3.402 -13.422  16.474
  503    HD2  PRO  55           HD2      PRO  55  -5.533 -14.540  14.635
  504    HD3  PRO  55           HD3      PRO  55  -4.806 -12.901  14.671
  505    H    ASP  56           H        ASP  56  -0.640 -16.843  14.044
  506    HA   ASP  56           HA       ASP  56  -1.508 -18.381  11.910
  507    HB2  ASP  56           HB2      ASP  56   0.395 -19.899  12.427
  508    HB3  ASP  56           HB3      ASP  56   0.775 -18.186  12.328
  509    H    HIS  57           H        HIS  57  -2.229 -19.071  15.237
  510    HA   HIS  57           HA       HIS  57  -3.057 -21.835  14.873
  511    HB2  HIS  57           HB2      HIS  57  -3.424 -19.790  17.097
  512    HB3  HIS  57           HB3      HIS  57  -4.175 -21.378  17.155
  513    HD1  HIS  57           HD1      HIS  57  -0.457 -20.273  16.443
  514    HD2  HIS  57           HD2      HIS  57  -2.879 -22.939  18.679
  515    HE1  HIS  57           HE1      HIS  57   1.135 -21.669  17.896
  516    HE2  HIS  57           HE2      HIS  57  -0.341 -23.304  19.244
  517    H    VAL  58           H        VAL  58  -4.673 -18.909  13.989
  518    HA   VAL  58           HA       VAL  58  -7.427 -19.860  14.290
  519    HB   VAL  58           HB       VAL  58  -6.293 -17.700  12.519
  520   HG11  VAL  58          HG11      VAL  58  -8.631 -16.835  12.463
  521   HG12  VAL  58          HG12      VAL  58  -8.476 -18.391  11.655
  522   HG13  VAL  58          HG13      VAL  58  -9.181 -18.303  13.289
  523   HG21  VAL  58          HG21      VAL  58  -7.241 -16.164  14.253
  524   HG22  VAL  58          HG22      VAL  58  -7.662 -17.569  15.249
  525   HG23  VAL  58          HG23      VAL  58  -5.959 -17.188  14.915
  526    H    ASN  59           H        ASN  59  -8.506 -21.267  12.895
  527    HA   ASN  59           HA       ASN  59  -7.170 -22.053  10.353
  528    HB2  ASN  59           HB2      ASN  59  -8.590 -23.955  10.299
  529    HB3  ASN  59           HB3      ASN  59  -7.840 -23.867  11.885
  530   HD21  ASN  59          HD21      ASN  59 -10.999 -23.941  13.471
  531   HD22  ASN  59          HD22      ASN  59  -9.259 -24.105  13.631
  532    H    MET  60           H        MET  60  -8.431 -22.235   8.368
  533    HA   MET  60           HA       MET  60  -9.533 -19.724   7.722
  534    HB2  MET  60           HB2      MET  60  -8.382 -21.254   6.157
  535    HB3  MET  60           HB3      MET  60  -9.756 -22.355   6.226
  536    HG2  MET  60           HG2      MET  60  -9.866 -21.038   4.202
  537    HG3  MET  60           HG3      MET  60 -11.214 -20.581   5.252
  538    HE1  MET  60           HE1      MET  60 -11.838 -18.321   4.261
  539    HE2  MET  60           HE2      MET  60 -10.660 -17.152   3.626
  540    HE3  MET  60           HE3      MET  60 -10.777 -18.769   2.902
  541    H    SER  61           H        SER  61 -11.346 -22.758   8.426
  542    HA   SER  61           HA       SER  61 -13.958 -21.723   7.890
  543    HB2  SER  61           HB2      SER  61 -13.395 -24.122   8.208
  544    HB3  SER  61           HB3      SER  61 -13.120 -23.820   9.933
  545    HG   SER  61           HG       SER  61 -15.239 -24.559   9.619
  546    H    GLU  62           H        GLU  62 -12.030 -21.712  10.931
  547    HA   GLU  62           HA       GLU  62 -13.955 -20.327  12.537
  548    HB2  GLU  62           HB2      GLU  62 -12.075 -21.570  13.499
  549    HB3  GLU  62           HB3      GLU  62 -10.925 -20.489  12.714
  550    HG2  GLU  62           HG2      GLU  62 -11.021 -19.902  15.007
  551    HG3  GLU  62           HG3      GLU  62 -11.721 -18.588  14.080
  552    H    LEU  63           H        LEU  63 -11.265 -19.054  10.504
  553    HA   LEU  63           HA       LEU  63 -11.680 -16.294  11.057
  554    HB2  LEU  63           HB2      LEU  63  -9.684 -17.157   9.952
  555    HB3  LEU  63           HB3      LEU  63 -10.637 -17.726   8.586
  556    HG   LEU  63           HG       LEU  63 -11.179 -15.387   7.957
  557   HD11  LEU  63          HD11      LEU  63 -11.028 -14.264  10.148
  558   HD12  LEU  63          HD12      LEU  63  -9.298 -14.674  10.252
  559   HD13  LEU  63          HD13      LEU  63  -9.893 -13.534   9.015
  560   HD21  LEU  63          HD21      LEU  63  -9.213 -16.568   7.053
  561   HD22  LEU  63          HD22      LEU  63  -8.924 -14.824   7.169
  562   HD23  LEU  63          HD23      LEU  63  -8.203 -15.925   8.371
  563    H    ILE  64           H        ILE  64 -13.174 -18.371   8.547
  564    HA   ILE  64           HA       ILE  64 -14.970 -16.456   7.431
  565    HB   ILE  64           HB       ILE  64 -14.645 -19.382   7.525
  566   HG12  ILE  64          HG12      ILE  64 -15.604 -17.694   5.248
  567   HG13  ILE  64          HG13      ILE  64 -13.907 -17.747   5.771
  568   HG21  ILE  64          HG21      ILE  64 -16.864 -19.945   6.561
  569   HG22  ILE  64          HG22      ILE  64 -16.990 -19.436   8.230
  570   HG23  ILE  64          HG23      ILE  64 -17.436 -18.310   6.929
  571   HD11  ILE  64          HD11      ILE  64 -13.836 -20.184   5.416
  572   HD12  ILE  64          HD12      ILE  64 -15.497 -20.127   4.786
  573   HD13  ILE  64          HD13      ILE  64 -14.202 -19.281   3.930
  574    H    LYS  65           H        LYS  65 -15.412 -18.556  10.313
  575    HA   LYS  65           HA       LYS  65 -18.076 -17.727  10.857
  576    HB2  LYS  65           HB2      LYS  65 -16.980 -19.768  11.721
  577    HB3  LYS  65           HB3      LYS  65 -15.974 -18.789  12.798
  578    HG2  LYS  65           HG2      LYS  65 -17.972 -17.983  13.991
  579    HG3  LYS  65           HG3      LYS  65 -19.021 -18.878  12.870
  580    HD2  LYS  65           HD2      LYS  65 -17.982 -21.012  13.608
  581    HD3  LYS  65           HD3      LYS  65 -16.935 -20.114  14.728
  582    HE2  LYS  65           HE2      LYS  65 -18.937 -19.267  15.932
  583    HE3  LYS  65           HE3      LYS  65 -19.986 -20.154  14.813
  584    HZ1  LYS  65           HZ1      LYS  65 -19.628 -21.404  16.871
  585    HZ2  LYS  65           HZ2      LYS  65 -18.987 -22.233  15.623
  586    HZ3  LYS  65           HZ3      LYS  65 -18.009 -21.414  16.654
  587    H    ILE  66           H        ILE  66 -15.025 -16.352  12.276
  588    HA   ILE  66           HA       ILE  66 -16.480 -14.358  13.784
  589    HB   ILE  66           HB       ILE  66 -14.353 -14.716  14.567
  590   HG12  ILE  66          HG12      ILE  66 -15.015 -12.330  14.694
  591   HG13  ILE  66          HG13      ILE  66 -13.298 -12.636  14.769
  592   HG21  ILE  66          HG21      ILE  66 -13.170 -14.157  11.830
  593   HG22  ILE  66          HG22      ILE  66 -12.230 -14.244  13.333
  594   HG23  ILE  66          HG23      ILE  66 -13.118 -15.649  12.790
  595   HD11  ILE  66          HD11      ILE  66 -13.381 -10.714  13.466
  596   HD12  ILE  66          HD12      ILE  66 -13.267 -11.961  12.218
  597   HD13  ILE  66          HD13      ILE  66 -14.811 -11.214  12.575
  598    H    ILE  67           H        ILE  67 -15.049 -14.141  10.492
  599    HA   ILE  67           HA       ILE  67 -15.786 -11.388  10.136
  600    HB   ILE  67           HB       ILE  67 -15.222 -13.615   8.149
  601   HG12  ILE  67          HG12      ILE  67 -13.303 -12.975   9.579
  602   HG13  ILE  67          HG13      ILE  67 -13.043 -12.589   7.892
  603   HG21  ILE  67          HG21      ILE  67 -15.588 -10.636   7.596
  604   HG22  ILE  67          HG22      ILE  67 -14.873 -11.815   6.465
  605   HG23  ILE  67          HG23      ILE  67 -16.560 -11.967   6.954
  606   HD11  ILE  67          HD11      ILE  67 -13.450 -10.184   8.370
  607   HD12  ILE  67          HD12      ILE  67 -13.769 -10.575  10.080
  608   HD13  ILE  67          HD13      ILE  67 -12.169 -10.856   9.394
  609    H    ARG  68           H        ARG  68 -17.617 -14.367   9.256
  610    HA   ARG  68           HA       ARG  68 -19.898 -13.027   8.199
  611    HB2  ARG  68           HB2      ARG  68 -19.286 -15.446   8.032
  612    HB3  ARG  68           HB3      ARG  68 -19.794 -15.699   9.689
  613    HG2  ARG  68           HG2      ARG  68 -21.687 -14.519   7.612
  614    HG3  ARG  68           HG3      ARG  68 -21.369 -16.246   7.645
  615    HD2  ARG  68           HD2      ARG  68 -22.550 -14.683   9.980
  616    HD3  ARG  68           HD3      ARG  68 -23.463 -15.622   8.827
  617    HE   ARG  68           HE       ARG  68 -21.808 -16.613  11.039
  618   HH11  ARG  68          HH11      ARG  68 -23.487 -17.620   8.118
  619   HH12  ARG  68          HH12      ARG  68 -23.591 -19.271   8.652
  620   HH21  ARG  68          HH21      ARG  68 -21.994 -18.739  11.645
  621   HH22  ARG  68          HH22      ARG  68 -22.759 -19.884  10.586
  622    H    ARG  69           H        ARG  69 -19.052 -13.723  11.582
  623    HA   ARG  69           HA       ARG  69 -21.595 -12.794  12.669
  624    HB2  ARG  69           HB2      ARG  69 -20.187 -14.541  13.717
  625    HB3  ARG  69           HB3      ARG  69 -18.929 -13.350  14.048
  626    HG2  ARG  69           HG2      ARG  69 -20.453 -12.114  15.558
  627    HG3  ARG  69           HG3      ARG  69 -21.793 -13.160  15.085
  628    HD2  ARG  69           HD2      ARG  69 -21.045 -13.893  17.224
  629    HD3  ARG  69           HD3      ARG  69 -20.569 -15.120  16.040
  630    HE   ARG  69           HE       ARG  69 -18.458 -13.167  16.531
  631   HH11  ARG  69          HH11      ARG  69 -19.898 -16.000  17.993
  632   HH12  ARG  69          HH12      ARG  69 -18.450 -16.401  18.875
  633   HH21  ARG  69          HH21      ARG  69 -16.633 -13.732  17.694
  634   HH22  ARG  69          HH22      ARG  69 -16.653 -15.151  18.692
  635    H    ARG  70           H        ARG  70 -18.387 -11.228  12.317
  636    HA   ARG  70           HA       ARG  70 -19.196  -8.760  13.684
  637    HB2  ARG  70           HB2      ARG  70 -16.885  -9.395  11.811
  638    HB3  ARG  70           HB3      ARG  70 -17.104  -7.831  12.586
  639    HG2  ARG  70           HG2      ARG  70 -16.750 -10.433  14.145
  640    HG3  ARG  70           HG3      ARG  70 -15.454  -9.337  13.670
  641    HD2  ARG  70           HD2      ARG  70 -15.825  -8.815  15.873
  642    HD3  ARG  70           HD3      ARG  70 -16.566  -7.496  14.956
  643    HE   ARG  70           HE       ARG  70 -18.501  -9.556  15.641
  644   HH11  ARG  70          HH11      ARG  70 -16.615  -7.071  17.265
  645   HH12  ARG  70          HH12      ARG  70 -17.906  -6.711  18.385
  646   HH21  ARG  70          HH21      ARG  70 -20.119  -9.016  17.127
  647   HH22  ARG  70          HH22      ARG  70 -19.791  -7.832  18.350
  648    H    LEU  71           H        LEU  71 -19.232  -9.738  10.267
  649    HA   LEU  71           HA       LEU  71 -20.334  -7.172   9.360
  650    HB2  LEU  71           HB2      LEU  71 -20.400  -9.953   8.111
  651    HB3  LEU  71           HB3      LEU  71 -20.905  -8.471   7.300
  652    HG   LEU  71           HG       LEU  71 -18.052  -8.997   8.251
  653   HD11  LEU  71          HD11      LEU  71 -18.737 -10.568   6.472
  654   HD12  LEU  71          HD12      LEU  71 -19.268  -9.201   5.465
  655   HD13  LEU  71          HD13      LEU  71 -17.553  -9.391   5.882
  656   HD21  LEU  71          HD21      LEU  71 -19.191  -6.859   6.403
  657   HD22  LEU  71          HD22      LEU  71 -18.547  -6.596   8.052
  658   HD23  LEU  71          HD23      LEU  71 -17.470  -7.127   6.762
  659    H    GLN  72           H        GLN  72 -22.551  -6.680   8.994
  660    HA   GLN  72           HA       GLN  72 -24.346  -7.886  10.904
  661    HB2  GLN  72           HB2      GLN  72 -24.712  -5.575   8.981
  662    HB3  GLN  72           HB3      GLN  72 -25.912  -6.083  10.183
  663    HG2  GLN  72           HG2      GLN  72 -24.300  -5.703  12.015
  664    HG3  GLN  72           HG3      GLN  72 -23.084  -5.160  10.856
  665   HE21  GLN  72          HE21      GLN  72 -24.487  -2.029  12.103
  666   HE22  GLN  72          HE22      GLN  72 -23.390  -3.301  12.625
  667    H    LEU  73           H        LEU  73 -23.791  -9.873   9.139
  668    HA   LEU  73           HA       LEU  73 -25.973 -10.107   7.138
  669    HB2  LEU  73           HB2      LEU  73 -23.563 -11.868   7.702
  670    HB3  LEU  73           HB3      LEU  73 -24.694 -12.075   6.372
  671    HG   LEU  73           HG       LEU  73 -22.873  -9.660   6.764
  672   HD11  LEU  73          HD11      LEU  73 -22.713 -11.949   4.775
  673   HD12  LEU  73          HD12      LEU  73 -21.615 -10.550   4.876
  674   HD13  LEU  73          HD13      LEU  73 -21.656 -11.731   6.194
  675   HD21  LEU  73          HD21      LEU  73 -23.483  -9.078   4.441
  676   HD22  LEU  73          HD22      LEU  73 -24.676 -10.397   4.423
  677   HD23  LEU  73          HD23      LEU  73 -24.884  -9.006   5.513
  678    H    ASN  74           H        ASN  74 -27.857 -10.805   7.913
  679    HA   ASN  74           HA       ASN  74 -28.176 -12.674  10.116
  680    HB2  ASN  74           HB2      ASN  74 -30.094 -11.699   7.951
  681    HB3  ASN  74           HB3      ASN  74 -30.574 -12.706   9.312
  682   HD21  ASN  74          HD21      ASN  74 -31.091  -9.004  10.047
  683   HD22  ASN  74          HD22      ASN  74 -31.413  -9.916   8.578
  684    H    ALA  75           H        ALA  75 -29.284 -14.809   9.875
  685    HA   ALA  75           HA       ALA  75 -27.653 -16.580   8.461
  686    HB1  ALA  75           HB1      ALA  75 -28.934 -17.117  10.491
  687    HB2  ALA  75           HB2      ALA  75 -30.458 -17.018   9.576
  688    HB3  ALA  75           HB3      ALA  75 -29.276 -18.291   9.205
  689    H    ASN  76           H        ASN  76 -30.552 -15.021   7.223
  690    HA   ASN  76           HA       ASN  76 -31.022 -16.768   4.973
  691    HB2  ASN  76           HB2      ASN  76 -31.722 -13.831   5.462
  692    HB3  ASN  76           HB3      ASN  76 -32.346 -14.808   4.138
  693   HD21  ASN  76          HD21      ASN  76 -34.797 -16.417   6.115
  694   HD22  ASN  76          HD22      ASN  76 -33.992 -16.348   4.551
  695    H    GLN  77           H        GLN  77 -28.513 -14.408   5.511
  696    HA   GLN  77           HA       GLN  77 -28.062 -13.771   2.664
  697    HB2  GLN  77           HB2      GLN  77 -26.383 -13.142   5.115
  698    HB3  GLN  77           HB3      GLN  77 -26.205 -12.413   3.529
  699    HG2  GLN  77           HG2      GLN  77 -28.818 -12.083   5.085
  700    HG3  GLN  77           HG3      GLN  77 -27.396 -11.142   5.497
  701   HE21  GLN  77          HE21      GLN  77 -29.177 -10.310   1.888
  702   HE22  GLN  77          HE22      GLN  77 -29.534 -11.860   2.635
  703    H    ALA  78           H        ALA  78 -27.048 -15.233   1.368
  704    HA   ALA  78           HA       ALA  78 -25.443 -17.426   2.409
  705    HB1  ALA  78           HB1      ALA  78 -25.188 -17.998   0.037
  706    HB2  ALA  78           HB2      ALA  78 -26.886 -17.681   0.453
  707    HB3  ALA  78           HB3      ALA  78 -25.945 -16.456  -0.434
  708    H    PHE  79           H        PHE  79 -23.568 -16.822   3.378
  709    HA   PHE  79           HA       PHE  79 -21.860 -14.773   2.159
  710    HB2  PHE  79           HB2      PHE  79 -22.305 -14.269   4.348
  711    HB3  PHE  79           HB3      PHE  79 -22.023 -15.903   4.905
  712    HD1  PHE  79           HD1      PHE  79 -20.392 -12.751   3.934
  713    HD2  PHE  79           HD2      PHE  79 -19.762 -16.776   5.332
  714    HE1  PHE  79           HE1      PHE  79 -18.062 -12.161   4.549
  715    HE2  PHE  79           HE2      PHE  79 -17.435 -16.180   5.961
  716    HZ   PHE  79           HZ       PHE  79 -16.586 -13.885   5.578
  717    H    PHE  80           H        PHE  80 -19.890 -14.863   1.359
  718    HA   PHE  80           HA       PHE  80 -18.321 -17.358   1.618
  719    HB2  PHE  80           HB2      PHE  80 -18.921 -15.899  -0.955
  720    HB3  PHE  80           HB3      PHE  80 -17.538 -16.944  -0.766
  721    HD1  PHE  80           HD1      PHE  80 -17.714 -19.334  -0.923
  722    HD2  PHE  80           HD2      PHE  80 -21.258 -16.880  -0.755
  723    HE1  PHE  80           HE1      PHE  80 -19.094 -21.266  -1.654
  724    HE2  PHE  80           HE2      PHE  80 -22.632 -18.819  -1.484
  725    HZ   PHE  80           HZ       PHE  80 -21.549 -21.011  -1.931
  726    H    LEU  81           H        LEU  81 -16.152 -17.222   1.877
  727    HA   LEU  81           HA       LEU  81 -14.833 -14.569   1.514
  728    HB2  LEU  81           HB2      LEU  81 -15.393 -14.994   3.907
  729    HB3  LEU  81           HB3      LEU  81 -14.469 -16.492   3.828
  730    HG   LEU  81           HG       LEU  81 -12.395 -15.273   3.534
  731   HD11  LEU  81          HD11      LEU  81 -13.212 -13.236   2.325
  732   HD12  LEU  81          HD12      LEU  81 -14.191 -12.792   3.739
  733   HD13  LEU  81          HD13      LEU  81 -12.417 -12.747   3.828
  734   HD21  LEU  81          HD21      LEU  81 -14.056 -14.213   5.847
  735   HD22  LEU  81          HD22      LEU  81 -13.071 -15.697   5.821
  736   HD23  LEU  81          HD23      LEU  81 -12.282 -14.129   5.724
  737    H    LEU  82           H        LEU  82 -14.006 -15.140  -0.428
  738    HA   LEU  82           HA       LEU  82 -12.864 -17.804  -0.942
  739    HB2  LEU  82           HB2      LEU  82 -13.064 -15.429  -2.817
  740    HB3  LEU  82           HB3      LEU  82 -12.963 -17.131  -3.236
  741    HG   LEU  82           HG       LEU  82 -15.403 -15.820  -1.928
  742   HD11  LEU  82          HD11      LEU  82 -14.940 -14.893  -4.169
  743   HD12  LEU  82          HD12      LEU  82 -14.872 -16.545  -4.839
  744   HD13  LEU  82          HD13      LEU  82 -16.384 -15.904  -4.167
  745   HD21  LEU  82          HD21      LEU  82 -14.985 -18.526  -3.292
  746   HD22  LEU  82          HD22      LEU  82 -15.295 -18.255  -1.551
  747   HD23  LEU  82          HD23      LEU  82 -16.547 -17.876  -2.749
  748    H    VAL  83           H        VAL  83 -10.620 -18.247  -1.035
  749    HA   VAL  83           HA       VAL  83  -8.736 -16.010  -0.605
  750    HB   VAL  83           HB       VAL  83  -6.971 -17.568  -0.531
  751   HG11  VAL  83          HG11      VAL  83  -9.351 -18.758   0.957
  752   HG12  VAL  83          HG12      VAL  83  -7.642 -18.851   1.409
  753   HG13  VAL  83          HG13      VAL  83  -8.480 -17.286   1.448
  754   HG21  VAL  83          HG21      VAL  83  -7.336 -20.038  -0.680
  755   HG22  VAL  83          HG22      VAL  83  -8.939 -19.734  -1.385
  756   HG23  VAL  83          HG23      VAL  83  -7.458 -19.218  -2.233
  757    H    ASN  84           H        ASN  84  -8.163 -14.699  -2.174
  758    HA   ASN  84           HA       ASN  84  -8.432 -13.753  -4.267
  759    HB2  ASN  84           HB2      ASN  84  -6.603 -14.869  -5.859
  760    HB3  ASN  84           HB3      ASN  84  -6.240 -13.865  -4.483
  761   HD21  ASN  84          HD21      ASN  84  -5.132 -17.764  -4.297
  762   HD22  ASN  84          HD22      ASN  84  -6.176 -17.233  -5.628
  763    H    GLY  85           H        GLY  85 -10.660 -15.211  -3.960
  764    HA2  GLY  85           HA2      GLY  85 -12.486 -15.475  -5.401
  765    HA3  GLY  85           HA3      GLY  85 -11.414 -15.715  -6.768
  766    H    HIS  86           H        HIS  86 -10.149 -17.916  -4.659
  767    HA   HIS  86           HA       HIS  86 -11.889 -20.143  -5.589
  768    HB2  HIS  86           HB2      HIS  86  -9.443 -20.305  -5.872
  769    HB3  HIS  86           HB3      HIS  86  -9.213 -20.128  -4.136
  770    HD1  HIS  86           HD1      HIS  86  -8.335 -22.495  -3.483
  771    HD2  HIS  86           HD2      HIS  86 -11.746 -22.531  -5.983
  772    HE1  HIS  86           HE1      HIS  86  -9.119 -24.950  -3.627
  773    HE2  HIS  86           HE2      HIS  86 -11.196 -24.953  -5.151
  774    H    SER  87           H        SER  87 -13.245 -21.301  -4.289
  775    HA   SER  87           HA       SER  87 -13.966 -20.232  -1.716
  776    HB2  SER  87           HB2      SER  87 -15.632 -22.062  -1.672
  777    HB3  SER  87           HB3      SER  87 -15.672 -21.105  -3.158
  778    HG   SER  87           HG       SER  87 -14.668 -22.691  -4.256
  779    H    MET  88           H        MET  88 -13.828 -20.949   0.299
  780    HA   MET  88           HA       MET  88 -12.529 -23.507   1.039
  781    HB2  MET  88           HB2      MET  88 -11.472 -20.751   1.794
  782    HB3  MET  88           HB3      MET  88 -11.117 -22.198   2.730
  783    HG2  MET  88           HG2      MET  88 -10.193 -23.266   0.661
  784    HG3  MET  88           HG3      MET  88 -10.282 -21.682  -0.123
  785    HE1  MET  88           HE1      MET  88  -6.440 -22.568   0.822
  786    HE2  MET  88           HE2      MET  88  -7.702 -23.805   0.644
  787    HE3  MET  88           HE3      MET  88  -7.603 -22.457  -0.517
  788    H    VAL  89           H        VAL  89 -15.199 -22.944   1.135
  789    HA   VAL  89           HA       VAL  89 -16.279 -21.459   3.169
  790    HB   VAL  89           HB       VAL  89 -17.723 -23.968   2.416
  791   HG11  VAL  89          HG11      VAL  89 -18.843 -22.368   3.941
  792   HG12  VAL  89          HG12      VAL  89 -18.607 -21.063   2.756
  793   HG13  VAL  89          HG13      VAL  89 -19.660 -22.445   2.381
  794   HG21  VAL  89          HG21      VAL  89 -17.290 -21.580   0.579
  795   HG22  VAL  89          HG22      VAL  89 -16.851 -23.285   0.261
  796   HG23  VAL  89          HG23      VAL  89 -18.541 -22.818   0.361
  797    H    SER  90           H        SER  90 -15.225 -24.805   3.666
  798    HA   SER  90           HA       SER  90 -15.722 -24.485   6.600
  799    HB2  SER  90           HB2      SER  90 -16.632 -26.770   6.642
  800    HB3  SER  90           HB3      SER  90 -17.584 -25.696   5.606
  801    HG   SER  90           HG       SER  90 -17.140 -27.749   4.613
  802    H    VAL  91           H        VAL  91 -13.180 -24.523   4.808
  803    HA   VAL  91           HA       VAL  91 -11.976 -27.059   5.427
  804    HB   VAL  91           HB       VAL  91 -11.620 -25.658   3.338
  805   HG11  VAL  91          HG11      VAL  91  -9.319 -24.499   4.973
  806   HG12  VAL  91          HG12      VAL  91  -9.667 -24.237   3.256
  807   HG13  VAL  91          HG13      VAL  91 -10.777 -23.604   4.492
  808   HG21  VAL  91          HG21      VAL  91  -9.454 -26.682   2.920
  809   HG22  VAL  91          HG22      VAL  91  -9.227 -27.011   4.644
  810   HG23  VAL  91          HG23      VAL  91 -10.533 -27.816   3.744
  811    H    SER  92           H        SER  92 -10.472 -27.760   6.794
  812    HA   SER  92           HA       SER  92 -10.185 -26.359   9.292
  813    HB2  SER  92           HB2      SER  92  -8.960 -28.969   8.314
  814    HB3  SER  92           HB3      SER  92  -8.987 -28.399   9.991
  815    HG   SER  92           HG       SER  92 -10.727 -29.846   9.534
  816    H    THR  93           H        THR  93  -8.266 -25.968   6.535
  817    HA   THR  93           HA       THR  93  -5.687 -26.116   7.378
  818    HB   THR  93           HB       THR  93  -6.492 -23.897   5.532
  819    HG1  THR  93           HG1      THR  93  -6.613 -25.542   3.919
  820   HG21  THR  93          HG21      THR  93  -4.079 -24.204   5.895
  821   HG22  THR  93          HG22      THR  93  -4.215 -25.927   5.470
  822   HG23  THR  93          HG23      THR  93  -4.524 -24.669   4.255
  823    HA   PRO  94           HA       PRO  94  -5.062 -22.694  10.275
  824    HB2  PRO  94           HB2      PRO  94  -2.350 -22.804  10.570
  825    HB3  PRO  94           HB3      PRO  94  -3.462 -23.985  11.326
  826    HG2  PRO  94           HG2      PRO  94  -1.938 -24.265   8.719
  827    HG3  PRO  94           HG3      PRO  94  -2.029 -25.437  10.075
  828    HD2  PRO  94           HD2      PRO  94  -3.592 -25.669   7.878
  829    HD3  PRO  94           HD3      PRO  94  -4.237 -26.057   9.504
  830    H    ILE  95           H        ILE  95  -4.637 -20.535   9.988
  831    HA   ILE  95           HA       ILE  95  -4.674 -19.599   7.358
  832    HB   ILE  95           HB       ILE  95  -5.666 -18.496   9.325
  833   HG12  ILE  95          HG12      ILE  95  -5.224 -16.172   8.802
  834   HG13  ILE  95          HG13      ILE  95  -3.760 -16.575   7.909
  835   HG21  ILE  95          HG21      ILE  95  -2.830 -17.568  10.011
  836   HG22  ILE  95          HG22      ILE  95  -4.320 -17.111  10.839
  837   HG23  ILE  95          HG23      ILE  95  -3.767 -18.769  10.929
  838   HD11  ILE  95          HD11      ILE  95  -6.568 -17.511   7.163
  839   HD12  ILE  95          HD12      ILE  95  -5.781 -16.053   6.529
  840   HD13  ILE  95          HD13      ILE  95  -5.096 -17.649   6.168
  841    H    SER  96           H        SER  96  -1.798 -20.160   9.291
  842    HA   SER  96           HA       SER  96   0.070 -18.579   7.764
  843    HB2  SER  96           HB2      SER  96   1.727 -20.168   8.814
  844    HB3  SER  96           HB3      SER  96   0.656 -19.342   9.964
  845    HG   SER  96           HG       SER  96   0.863 -21.672  10.313
  846    H    GLU  97           H        GLU  97  -1.000 -22.009   7.465
  847    HA   GLU  97           HA       GLU  97   0.675 -22.551   5.149
  848    HB2  GLU  97           HB2      GLU  97  -1.800 -23.929   6.245
  849    HB3  GLU  97           HB3      GLU  97  -0.880 -24.540   4.883
  850    HG2  GLU  97           HG2      GLU  97   0.227 -24.099   7.694
  851    HG3  GLU  97           HG3      GLU  97  -0.346 -25.636   7.061
  852    H    VAL  98           H        VAL  98  -2.675 -21.370   5.543
  853    HA   VAL  98           HA       VAL  98  -3.239 -21.242   2.714
  854    HB   VAL  98           HB       VAL  98  -4.376 -19.343   4.770
  855   HG11  VAL  98          HG11      VAL  98  -5.528 -20.419   2.156
  856   HG12  VAL  98          HG12      VAL  98  -6.281 -19.234   3.250
  857   HG13  VAL  98          HG13      VAL  98  -4.820 -18.809   2.348
  858   HG21  VAL  98          HG21      VAL  98  -5.385 -22.110   3.994
  859   HG22  VAL  98          HG22      VAL  98  -4.803 -21.622   5.598
  860   HG23  VAL  98          HG23      VAL  98  -6.285 -20.913   4.956
  861    H    TYR  99           H        TYR  99  -1.773 -18.799   4.923
  862    HA   TYR  99           HA       TYR  99  -1.174 -16.903   2.912
  863    HB2  TYR  99           HB2      TYR  99  -1.029 -16.032   4.949
  864    HB3  TYR  99           HB3      TYR  99  -0.233 -17.415   5.663
  865    HD1  TYR  99           HD1      TYR  99   2.190 -17.731   5.544
  866    HD2  TYR  99           HD2      TYR  99   0.274 -14.178   4.005
  867    HE1  TYR  99           HE1      TYR  99   4.351 -16.504   5.677
  868    HE2  TYR  99           HE2      TYR  99   2.444 -12.965   4.128
  869    HH   TYR  99           HH       TYR  99   4.722 -13.128   4.563
  870    H    GLU 100           H        GLU 100   0.924 -19.636   3.886
  871    HA   GLU 100           HA       GLU 100   2.981 -18.960   2.036
  872    HB2  GLU 100           HB2      GLU 100   3.242 -20.481   3.962
  873    HB3  GLU 100           HB3      GLU 100   2.134 -21.630   3.210
  874    HG2  GLU 100           HG2      GLU 100   4.382 -22.393   2.961
  875    HG3  GLU 100           HG3      GLU 100   3.714 -22.016   1.380
  876    H    SER 101           H        SER 101  -0.068 -20.656   1.546
  877    HA   SER 101           HA       SER 101   0.591 -21.507  -1.192
  878    HB2  SER 101           HB2      SER 101  -2.014 -21.594   0.385
  879    HB3  SER 101           HB3      SER 101  -1.731 -22.339  -1.198
  880    HG   SER 101           HG       SER 101  -0.548 -22.993   1.300
  881    H    GLU 102           H        GLU 102  -1.160 -18.807   0.270
  882    HA   GLU 102           HA       GLU 102  -2.094 -17.842  -2.407
  883    HB2  GLU 102           HB2      GLU 102  -3.456 -17.545   0.286
  884    HB3  GLU 102           HB3      GLU 102  -4.112 -17.085  -1.265
  885    HG2  GLU 102           HG2      GLU 102  -3.587 -19.920  -0.308
  886    HG3  GLU 102           HG3      GLU 102  -5.135 -19.117  -0.427
  887    H    LYS 103           H        LYS 103   0.394 -16.982  -0.779
  888    HA   LYS 103           HA       LYS 103   0.096 -14.192  -0.244
  889    HB2  LYS 103           HB2      LYS 103   2.302 -16.113  -0.641
  890    HB3  LYS 103           HB3      LYS 103   2.686 -14.523  -1.285
  891    HG2  LYS 103           HG2      LYS 103   2.236 -13.435   0.809
  892    HG3  LYS 103           HG3      LYS 103   1.632 -14.918   1.542
  893    HD2  LYS 103           HD2      LYS 103   4.468 -14.657   0.451
  894    HD3  LYS 103           HD3      LYS 103   4.042 -14.228   2.113
  895    HE2  LYS 103           HE2      LYS 103   3.183 -16.521   2.520
  896    HE3  LYS 103           HE3      LYS 103   3.559 -16.969   0.853
  897    HZ1  LYS 103           HZ1      LYS 103   5.571 -16.215   2.924
  898    HZ2  LYS 103           HZ2      LYS 103   5.327 -17.719   2.299
  899    HZ3  LYS 103           HZ3      LYS 103   5.936 -16.531   1.355
  900    H    ASP 104           H        ASP 104  -0.076 -12.455  -1.439
  901    HA   ASP 104           HA       ASP 104  -0.106 -12.583  -4.394
  902    HB2  ASP 104           HB2      ASP 104  -1.203 -10.493  -4.291
  903    HB3  ASP 104           HB3      ASP 104  -1.936 -11.542  -3.095
  904    H    GLU 105           H        GLU 105   0.823 -10.324  -5.335
  905    HA   GLU 105           HA       GLU 105   3.654 -10.668  -5.244
  906    HB2  GLU 105           HB2      GLU 105   1.978  -8.421  -6.434
  907    HB3  GLU 105           HB3      GLU 105   3.682  -8.674  -6.770
  908    HG2  GLU 105           HG2      GLU 105   1.435 -10.620  -7.453
  909    HG3  GLU 105           HG3      GLU 105   2.208  -9.503  -8.565
  910    H    ASP 106           H        ASP 106   1.714  -8.722  -3.146
  911    HA   ASP 106           HA       ASP 106   3.939  -6.863  -2.461
  912    HB2  ASP 106           HB2      ASP 106   1.200  -6.999  -1.174
  913    HB3  ASP 106           HB3      ASP 106   2.380  -5.708  -1.092
  914    H    GLY 107           H        GLY 107   2.572  -9.890  -1.584
  915    HA2  GLY 107           HA2      GLY 107   3.485 -11.415  -0.013
  916    HA3  GLY 107           HA3      GLY 107   4.125 -10.084   0.946
  917    H    PHE 108           H        PHE 108   0.888  -9.522  -0.029
  918    HA   PHE 108           HA       PHE 108  -0.222 -10.211   2.627
  919    HB2  PHE 108           HB2      PHE 108  -0.957  -8.326   0.471
  920    HB3  PHE 108           HB3      PHE 108  -2.304  -9.119   1.247
  921    HD1  PHE 108           HD1      PHE 108  -2.931  -8.655   3.524
  922    HD2  PHE 108           HD2      PHE 108   0.503  -6.760   1.748
  923    HE1  PHE 108           HE1      PHE 108  -2.913  -6.987   5.369
  924    HE2  PHE 108           HE2      PHE 108   0.523  -5.090   3.590
  925    HZ   PHE 108           HZ       PHE 108  -1.160  -5.211   5.410
  926    H    LEU 109           H        LEU 109  -2.205 -11.405   2.866
  927    HA   LEU 109           HA       LEU 109  -2.711 -13.406   0.697
  928    HB2  LEU 109           HB2      LEU 109  -2.274 -13.968   3.187
  929    HB3  LEU 109           HB3      LEU 109  -3.875 -13.315   3.479
  930    HG   LEU 109           HG       LEU 109  -3.117 -15.774   1.854
  931   HD11  LEU 109          HD11      LEU 109  -4.515 -16.892   3.602
  932   HD12  LEU 109          HD12      LEU 109  -3.142 -16.028   4.301
  933   HD13  LEU 109          HD13      LEU 109  -4.755 -15.319   4.393
  934   HD21  LEU 109          HD21      LEU 109  -5.876 -14.508   2.163
  935   HD22  LEU 109          HD22      LEU 109  -5.009 -14.871   0.648
  936   HD23  LEU 109          HD23      LEU 109  -5.594 -16.189   1.650
  937    H    TYR 110           H        TYR 110  -4.209 -12.717  -0.805
  938    HA   TYR 110           HA       TYR 110  -6.299 -10.826  -0.074
  939    HB2  TYR 110           HB2      TYR 110  -5.556 -12.118  -2.653
  940    HB3  TYR 110           HB3      TYR 110  -7.167 -11.473  -2.462
  941    HD1  TYR 110           HD1      TYR 110  -7.189  -8.991  -1.253
  942    HD2  TYR 110           HD2      TYR 110  -4.157 -10.654  -3.835
  943    HE1  TYR 110           HE1      TYR 110  -6.548  -6.704  -1.978
  944    HE2  TYR 110           HE2      TYR 110  -3.533  -8.363  -4.578
  945    HH   TYR 110           HH       TYR 110  -4.089  -6.114  -4.507
  946    H    MET 111           H        MET 111  -8.272 -11.102   0.699
  947    HA   MET 111           HA       MET 111  -9.652 -13.675   0.042
  948    HB2  MET 111           HB2      MET 111  -9.940 -12.078   2.609
  949    HB3  MET 111           HB3      MET 111 -10.880 -13.502   2.115
  950    HG2  MET 111           HG2      MET 111  -8.695 -14.762   1.894
  951    HG3  MET 111           HG3      MET 111  -7.920 -13.399   2.711
  952    HE1  MET 111           HE1      MET 111  -7.940 -16.373   5.261
  953    HE2  MET 111           HE2      MET 111  -7.852 -16.493   3.499
  954    HE3  MET 111           HE3      MET 111  -6.954 -15.214   4.350
  955    H    VAL 112           H        VAL 112 -11.209 -13.426  -1.352
  956    HA   VAL 112           HA       VAL 112 -12.505 -10.799  -1.709
  957    HB   VAL 112           HB       VAL 112 -12.868 -13.265  -3.410
  958   HG11  VAL 112          HG11      VAL 112 -14.711 -11.621  -3.561
  959   HG12  VAL 112          HG12      VAL 112 -13.533 -10.322  -3.868
  960   HG13  VAL 112          HG13      VAL 112 -13.748 -11.642  -5.048
  961   HG21  VAL 112          HG21      VAL 112 -11.045 -10.860  -3.834
  962   HG22  VAL 112          HG22      VAL 112 -10.516 -12.533  -3.544
  963   HG23  VAL 112          HG23      VAL 112 -11.383 -12.132  -5.028
  964    H    TYR 113           H        TYR 113 -14.144 -10.359  -0.494
  965    HA   TYR 113           HA       TYR 113 -15.929 -12.365   0.637
  966    HB2  TYR 113           HB2      TYR 113 -15.582 -10.848   2.196
  967    HB3  TYR 113           HB3      TYR 113 -15.427  -9.514   1.075
  968    HD1  TYR 113           HD1      TYR 113 -18.305 -11.888   1.813
  969    HD2  TYR 113           HD2      TYR 113 -16.816  -7.821   1.725
  970    HE1  TYR 113           HE1      TYR 113 -20.552 -11.023   2.491
  971    HE2  TYR 113           HE2      TYR 113 -19.047  -6.997   2.444
  972    HH   TYR 113           HH       TYR 113 -21.137  -7.560   3.160
  973    H    ALA 114           H        ALA 114 -17.723 -13.189  -0.166
  974    HA   ALA 114           HA       ALA 114 -19.066 -11.784  -2.430
  975    HB1  ALA 114           HB1      ALA 114 -17.879 -14.580  -2.641
  976    HB2  ALA 114           HB2      ALA 114 -18.656 -13.635  -3.935
  977    HB3  ALA 114           HB3      ALA 114 -17.105 -13.114  -3.275
  978    H    SER 115           H        SER 115 -20.864 -13.193  -3.345
  979    HA   SER 115           HA       SER 115 -22.306 -14.760  -1.265
  980    HB2  SER 115           HB2      SER 115 -24.386 -13.928  -2.599
  981    HB3  SER 115           HB3      SER 115 -23.576 -12.873  -1.445
  982    HG   SER 115           HG       SER 115 -23.580 -12.762  -4.250
  983    H    GLN 116           H        GLN 116 -20.495 -15.272  -3.816
  984    HA   GLN 116           HA       GLN 116 -21.475 -17.893  -4.436
  985    HB2  GLN 116           HB2      GLN 116 -21.644 -17.566  -6.861
  986    HB3  GLN 116           HB3      GLN 116 -22.901 -16.671  -6.034
  987    HG2  GLN 116           HG2      GLN 116 -20.326 -15.405  -7.094
  988    HG3  GLN 116           HG3      GLN 116 -21.802 -15.544  -8.023
  989   HE21  GLN 116          HE21      GLN 116 -20.289 -13.099  -6.957
  990   HE22  GLN 116          HE22      GLN 116 -21.613 -12.193  -6.223
  991    H    GLU 117           H        GLU 117 -19.709 -19.103  -5.583
  992    HA   GLU 117           HA       GLU 117 -17.042 -17.947  -5.226
  993    HB2  GLU 117           HB2      GLU 117 -17.495 -20.370  -5.006
  994    HB3  GLU 117           HB3      GLU 117 -17.903 -20.442  -6.729
  995    HG2  GLU 117           HG2      GLU 117 -15.596 -19.738  -7.307
  996    HG3  GLU 117           HG3      GLU 117 -15.212 -19.570  -5.585
  997    H    THR 118           H        THR 118 -19.142 -18.615  -8.038
  998    HA   THR 118           HA       THR 118 -18.153 -16.305  -9.482
  999    HB   THR 118           HB       THR 118 -16.397 -17.901 -10.102
 1000    HG1  THR 118           HG1      THR 118 -16.587 -17.556 -12.263
 1001   HG21  THR 118          HG21      THR 118 -18.604 -19.621 -11.334
 1002   HG22  THR 118          HG22      THR 118 -16.852 -19.868 -11.478
 1003   HG23  THR 118          HG23      THR 118 -17.636 -20.054  -9.905
 1004    H    PHE 119           H        PHE 119 -19.459 -15.782 -11.336
 1005    HA   PHE 119           HA       PHE 119 -22.144 -16.975 -11.308
 1006    HB2  PHE 119           HB2      PHE 119 -21.060 -14.501 -12.593
 1007    HB3  PHE 119           HB3      PHE 119 -22.584 -15.198 -13.113
 1008    HD1  PHE 119           HD1      PHE 119 -21.153 -12.928 -10.805
 1009    HD2  PHE 119           HD2      PHE 119 -24.324 -15.820 -11.229
 1010    HE1  PHE 119           HE1      PHE 119 -22.437 -11.800  -9.000
 1011    HE2  PHE 119           HE2      PHE 119 -25.590 -14.703  -9.405
 1012    HZ   PHE 119           HZ       PHE 119 -24.649 -12.689  -8.294
 1013    H    GLY 120           H        GLY 120 -19.350 -17.751 -12.925
 1014    HA2  GLY 120           HA2      GLY 120 -18.976 -19.512 -14.397
 1015    HA3  GLY 120           HA3      GLY 120 -20.716 -19.741 -14.585
 1016    H1   ASP  10           H1       ASP  10 -10.195  -0.721  19.072
 1017    H2   ASP  10           H2       ASP  10 -11.544   0.165  19.427
 1018    H3   ASP  10           H3       ASP  10 -11.449  -0.661  18.000
 1019    HA   ASP  10           HA       ASP  10 -11.175   1.646  17.627
 1020    HB2  ASP  10           HB2      ASP  10  -8.846   1.447  19.547
 1021    HB3  ASP  10           HB3      ASP  10  -9.126   2.795  18.439
 1022    H    TYR  11           H        TYR  11 -10.519   1.980  15.633
 1023    HA   TYR  11           HA       TYR  11  -9.703   1.477  13.648
 1024    HB2  TYR  11           HB2      TYR  11  -7.273   1.969  13.335
 1025    HB3  TYR  11           HB3      TYR  11  -8.346   3.173  13.993
 1026    HD1  TYR  11           HD1      TYR  11  -8.141   4.006  16.295
 1027    HD2  TYR  11           HD2      TYR  11  -5.539   0.954  14.730
 1028    HE1  TYR  11           HE1      TYR  11  -6.594   4.338  18.224
 1029    HE2  TYR  11           HE2      TYR  11  -3.982   1.289  16.659
 1030    HH   TYR  11           HH       TYR  11  -3.571   2.446  18.603
 1031    H    GLU  12           H        GLU  12 -10.583  -0.777  14.223
 1032    HA   GLU  12           HA       GLU  12  -8.830  -3.034  14.191
 1033    HB2  GLU  12           HB2      GLU  12 -11.729  -2.977  13.308
 1034    HB3  GLU  12           HB3      GLU  12 -10.814  -4.365  13.874
 1035    HG2  GLU  12           HG2      GLU  12 -11.709  -3.940  15.867
 1036    HG3  GLU  12           HG3      GLU  12 -10.434  -2.759  16.029
 1037    H    SER  13           H        SER  13  -8.852  -0.972  11.699
 1038    HA   SER  13           HA       SER  13  -7.845  -2.947   9.786
 1039    HB2  SER  13           HB2      SER  13 -10.501  -1.636   9.475
 1040    HB3  SER  13           HB3      SER  13  -9.522  -1.801   8.009
 1041    HG   SER  13           HG       SER  13  -9.925  -3.968   9.809
 1042    H    ASP  14           H        ASP  14  -6.609  -0.609  11.160
 1043    HA   ASP  14           HA       ASP  14  -5.632   0.709   8.696
 1044    HB2  ASP  14           HB2      ASP  14  -6.264   2.057  11.247
 1045    HB3  ASP  14           HB3      ASP  14  -4.897   2.643  10.309
 1046    H    ASP  15           H        ASP  15  -3.656   1.328  11.445
 1047    HA   ASP  15           HA       ASP  15  -1.681  -0.615  10.663
 1048    HB2  ASP  15           HB2      ASP  15   0.026   1.085   9.880
 1049    HB3  ASP  15           HB3      ASP  15  -1.228   0.562   8.785
 1050    H    ASP  16           H        ASP  16   0.431  -0.427  11.617
 1051    HA   ASP  16           HA       ASP  16   1.792  -0.355  13.379
 1052    HB2  ASP  16           HB2      ASP  16   2.410   1.641  12.430
 1053    HB3  ASP  16           HB3      ASP  16   1.013   2.498  13.071
 1054    H    SER  17           H        SER  17   1.072  -1.782  14.810
 1055    HA   SER  17           HA       SER  17   0.254  -2.687  16.725
 1056    HB2  SER  17           HB2      SER  17   2.011  -1.187  17.629
 1057    HB3  SER  17           HB3      SER  17   0.768   0.032  17.967
 1058    HG   SER  17           HG       SER  17   1.197  -1.328  19.789
 1059    H    TYR  18           H        TYR  18  -1.792  -2.996  15.748
 1060    HA   TYR  18           HA       TYR  18  -3.957  -1.261  16.770
 1061    HB2  TYR  18           HB2      TYR  18  -5.070  -1.256  14.621
 1062    HB3  TYR  18           HB3      TYR  18  -3.567  -0.358  14.686
 1063    HD1  TYR  18           HD1      TYR  18  -5.463  -1.889  12.503
 1064    HD2  TYR  18           HD2      TYR  18  -1.393  -2.132  13.855
 1065    HE1  TYR  18           HE1      TYR  18  -4.772  -2.898  10.314
 1066    HE2  TYR  18           HE2      TYR  18  -0.732  -3.223  11.744
 1067    HH   TYR  18           HH       TYR  18  -1.446  -4.034   9.669
 1068    H    GLU  19           H        GLU  19  -6.125  -2.021  16.803
 1069    HA   GLU  19           HA       GLU  19  -6.215  -4.761  17.820
 1070    HB2  GLU  19           HB2      GLU  19  -8.348  -2.618  17.662
 1071    HB3  GLU  19           HB3      GLU  19  -8.503  -4.172  18.506
 1072    HG2  GLU  19           HG2      GLU  19  -6.612  -3.598  19.976
 1073    HG3  GLU  19           HG3      GLU  19  -6.434  -2.035  19.179
 1074    H    VAL  20           H        VAL  20  -5.590  -5.114  15.290
 1075    HA   VAL  20           HA       VAL  20  -7.715  -5.051  13.406
 1076    HB   VAL  20           HB       VAL  20  -5.775  -7.036  12.581
 1077   HG11  VAL  20          HG11      VAL  20  -7.150  -5.590  11.131
 1078   HG12  VAL  20          HG12      VAL  20  -6.310  -4.170  11.735
 1079   HG13  VAL  20          HG13      VAL  20  -5.420  -5.383  10.784
 1080   HG21  VAL  20          HG21      VAL  20  -4.540  -4.472  13.634
 1081   HG22  VAL  20          HG22      VAL  20  -4.142  -6.133  14.118
 1082   HG23  VAL  20          HG23      VAL  20  -3.773  -5.559  12.483
 1083    H    LEU  21           H        LEU  21  -8.950  -6.650  12.331
 1084    HA   LEU  21           HA       LEU  21 -10.322  -8.547  12.231
 1085    HB2  LEU  21           HB2      LEU  21  -7.825  -9.617  12.886
 1086    HB3  LEU  21           HB3      LEU  21  -8.819 -10.186  14.204
 1087    HG   LEU  21           HG       LEU  21  -9.288 -10.677  11.230
 1088   HD11  LEU  21          HD11      LEU  21  -8.605 -12.940  11.704
 1089   HD12  LEU  21          HD12      LEU  21  -7.329 -11.843  12.292
 1090   HD13  LEU  21          HD13      LEU  21  -8.455 -12.602  13.437
 1091   HD21  LEU  21          HD21      LEU  21 -11.398 -10.683  12.331
 1092   HD22  LEU  21          HD22      LEU  21 -10.935 -12.347  11.936
 1093   HD23  LEU  21          HD23      LEU  21 -10.792 -11.766  13.616
 1094    H    ASP  22           H        ASP  22 -10.083  -6.406  14.537
 1095    HA   ASP  22           HA       ASP  22 -10.930  -5.902  16.453
 1096    HB2  ASP  22           HB2      ASP  22 -12.912  -5.738  15.222
 1097    HB3  ASP  22           HB3      ASP  22 -13.271  -7.451  15.402
 1098    H    LEU  23           H        LEU  23  -9.026  -7.606  16.669
 1099    HA   LEU  23           HA       LEU  23  -9.492  -9.133  19.175
 1100    HB2  LEU  23           HB2      LEU  23  -8.048 -10.085  16.660
 1101    HB3  LEU  23           HB3      LEU  23  -7.849 -10.852  18.219
 1102    HG   LEU  23           HG       LEU  23 -10.456 -10.769  16.666
 1103   HD11  LEU  23          HD11      LEU  23  -8.662 -12.226  15.690
 1104   HD12  LEU  23          HD12      LEU  23  -8.530 -13.077  17.238
 1105   HD13  LEU  23          HD13      LEU  23 -10.030 -13.161  16.300
 1106   HD21  LEU  23          HD21      LEU  23 -10.892 -10.899  19.090
 1107   HD22  LEU  23          HD22      LEU  23 -11.201 -12.464  18.326
 1108   HD23  LEU  23          HD23      LEU  23  -9.701 -12.219  19.246
 1109    H    THR  24           H        THR  24  -7.384  -9.649  20.235
 1110    HA   THR  24           HA       THR  24  -5.136  -7.907  19.449
 1111    HB   THR  24           HB       THR  24  -4.596  -7.003  21.420
 1112    HG1  THR  24           HG1      THR  24  -5.422  -7.695  23.420
 1113   HG21  THR  24          HG21      THR  24  -7.622  -7.125  21.755
 1114   HG22  THR  24          HG22      THR  24  -6.514  -5.889  22.392
 1115   HG23  THR  24          HG23      THR  24  -6.770  -6.019  20.648
 1116    H    GLU  25           H        GLU  25  -5.791 -10.633  21.658
 1117    HA   GLU  25           HA       GLU  25  -4.674 -12.552  22.055
 1118    HB2  GLU  25           HB2      GLU  25  -4.113 -12.388  19.078
 1119    HB3  GLU  25           HB3      GLU  25  -3.893 -13.838  20.044
 1120    HG2  GLU  25           HG2      GLU  25  -6.543 -12.377  19.659
 1121    HG3  GLU  25           HG3      GLU  25  -6.031 -13.822  18.801
 1122    H    TYR  26           H        TYR  26  -3.227 -10.265  22.714
 1123    HA   TYR  26           HA       TYR  26  -0.452 -10.559  22.146
 1124    HB2  TYR  26           HB2      TYR  26  -1.051  -8.430  22.655
 1125    HB3  TYR  26           HB3      TYR  26  -1.977  -8.898  24.067
 1126    HD1  TYR  26           HD1      TYR  26   1.453  -8.332  22.787
 1127    HD2  TYR  26           HD2      TYR  26  -0.977  -9.163  26.251
 1128    HE1  TYR  26           HE1      TYR  26   3.380  -7.775  24.274
 1129    HE2  TYR  26           HE2      TYR  26   0.945  -8.608  27.739
 1130    HH   TYR  26           HH       TYR  26   3.147  -7.931  27.854
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -6.130   0.925   5.543
    2    H2   MET   1           H2       MET   1  -6.874   0.053   6.686
    3    H3   MET   1           H3       MET   1  -7.466   0.016   5.148
    4    HA   MET   1           HA       MET   1  -7.387   2.410   6.889
    5    HB2  MET   1           HB2      MET   1  -7.281   2.822   4.405
    6    HB3  MET   1           HB3      MET   1  -8.828   2.022   4.217
    7    HG2  MET   1           HG2      MET   1  -9.819   3.760   5.791
    8    HG3  MET   1           HG3      MET   1  -8.246   4.573   5.775
    9    HE1  MET   1           HE1      MET   1 -10.822   6.177   5.076
   10    HE2  MET   1           HE2      MET   1  -9.192   6.866   4.929
   11    HE3  MET   1           HE3      MET   1 -10.345   7.027   3.587
   12    HA   PRO   2           HA       PRO   2 -11.187   0.426   8.489
   13    HB2  PRO   2           HB2      PRO   2 -11.322   2.844  10.264
   14    HB3  PRO   2           HB3      PRO   2 -11.352   1.111  10.684
   15    HG2  PRO   2           HG2      PRO   2  -9.155   2.651  11.145
   16    HG3  PRO   2           HG3      PRO   2  -8.990   0.964  10.545
   17    HD2  PRO   2           HD2      PRO   2  -8.971   3.530   8.916
   18    HD3  PRO   2           HD3      PRO   2  -7.776   2.200   8.925
   19    H    SER   3           H        SER   3 -12.071   0.857   6.330
   20    HA   SER   3           HA       SER   3 -14.114   2.998   6.226
   21    HB2  SER   3           HB2      SER   3 -12.075   4.106   5.408
   22    HB3  SER   3           HB3      SER   3 -11.804   2.787   4.254
   23    HG   SER   3           HG       SER   3 -13.652   4.890   4.176
   24    H    GLU   4           H        GLU   4 -15.522   2.854   4.405
   25    HA   GLU   4           HA       GLU   4 -16.316   0.215   3.498
   26    HB2  GLU   4           HB2      GLU   4 -17.947   1.933   3.752
   27    HB3  GLU   4           HB3      GLU   4 -17.016   3.086   2.792
   28    HG2  GLU   4           HG2      GLU   4 -17.445   1.835   0.745
   29    HG3  GLU   4           HG3      GLU   4 -18.296   0.585   1.660
   30    H    LYS   5           H        LYS   5 -14.088   2.646   2.350
   31    HA   LYS   5           HA       LYS   5 -13.990   1.866  -0.453
   32    HB2  LYS   5           HB2      LYS   5 -12.201   3.679   1.237
   33    HB3  LYS   5           HB3      LYS   5 -12.117   3.528  -0.518
   34    HG2  LYS   5           HG2      LYS   5 -14.448   4.341  -0.719
   35    HG3  LYS   5           HG3      LYS   5 -14.536   4.530   1.045
   36    HD2  LYS   5           HD2      LYS   5 -12.682   6.175   0.982
   37    HD3  LYS   5           HD3      LYS   5 -12.521   5.933  -0.759
   38    HE2  LYS   5           HE2      LYS   5 -13.697   7.984  -0.426
   39    HE3  LYS   5           HE3      LYS   5 -14.811   6.806  -1.126
   40    HZ1  LYS   5           HZ1      LYS   5 -15.786   6.494   1.099
   41    HZ2  LYS   5           HZ2      LYS   5 -14.701   7.533   1.769
   42    HZ3  LYS   5           HZ3      LYS   5 -15.819   8.072   0.710
   43    H    THR   6           H        THR   6 -11.973   1.328  -1.564
   44    HA   THR   6           HA       THR   6 -10.826  -1.079  -0.547
   45    HB   THR   6           HB       THR   6  -9.880  -1.502  -2.529
   46    HG1  THR   6           HG1      THR   6  -9.176   0.220  -3.949
   47   HG21  THR   6          HG21      THR   6 -12.289  -0.901  -2.996
   48   HG22  THR   6          HG22      THR   6 -11.719   0.708  -3.513
   49   HG23  THR   6          HG23      THR   6 -11.199  -0.743  -4.383
   50    H    PHE   7           H        PHE   7  -8.572  -1.707  -0.248
   51    HA   PHE   7           HA       PHE   7  -7.067   0.335   1.203
   52    HB2  PHE   7           HB2      PHE   7  -7.120  -1.743   2.232
   53    HB3  PHE   7           HB3      PHE   7  -6.638  -2.583   0.773
   54    HD1  PHE   7           HD1      PHE   7  -5.054   0.365   2.553
   55    HD2  PHE   7           HD2      PHE   7  -4.665  -3.720   1.231
   56    HE1  PHE   7           HE1      PHE   7  -2.813   0.245   3.597
   57    HE2  PHE   7           HE2      PHE   7  -2.410  -3.829   2.269
   58    HZ   PHE   7           HZ       PHE   7  -1.487  -1.857   3.463
   59    H    LYS   8           H        LYS   8  -6.972  -0.834  -2.094
   60    HA   LYS   8           HA       LYS   8  -4.379   0.348  -2.714
   61    HB2  LYS   8           HB2      LYS   8  -5.290  -1.379  -4.129
   62    HB3  LYS   8           HB3      LYS   8  -6.768  -0.475  -4.407
   63    HG2  LYS   8           HG2      LYS   8  -5.329  -0.446  -6.375
   64    HG3  LYS   8           HG3      LYS   8  -5.609   1.176  -5.752
   65    HD2  LYS   8           HD2      LYS   8  -3.311   1.115  -4.688
   66    HD3  LYS   8           HD3      LYS   8  -3.101  -0.514  -5.319
   67    HE2  LYS   8           HE2      LYS   8  -1.909   1.147  -6.678
   68    HE3  LYS   8           HE3      LYS   8  -3.134   0.295  -7.621
   69    HZ1  LYS   8           HZ1      LYS   8  -3.511   3.027  -6.458
   70    HZ2  LYS   8           HZ2      LYS   8  -3.109   2.725  -8.012
   71    HZ3  LYS   8           HZ3      LYS   8  -4.561   2.259  -7.460
   72    H    GLN   9           H        GLN   9  -7.670   1.637  -2.591
   73    HA   GLN   9           HA       GLN   9  -7.098   4.275  -3.561
   74    HB2  GLN   9           HB2      GLN   9  -9.295   3.637  -3.474
   75    HB3  GLN   9           HB3      GLN   9  -9.224   2.992  -1.863
   76    HG2  GLN   9           HG2      GLN   9  -9.042   5.970  -2.466
   77    HG3  GLN   9           HG3      GLN   9 -10.552   5.105  -2.216
   78   HE21  GLN   9          HE21      GLN   9  -9.271   3.352   0.082
   79   HE22  GLN   9          HE22      GLN   9  -9.350   4.530   1.386
   80    H    ARG  10           H        ARG  10  -6.244   2.787  -0.517
   81    HA   ARG  10           HA       ARG  10  -5.433   5.363   0.743
   82    HB2  ARG  10           HB2      ARG  10  -6.769   3.695   2.004
   83    HB3  ARG  10           HB3      ARG  10  -5.512   2.498   1.735
   84    HG2  ARG  10           HG2      ARG  10  -5.130   3.124   3.870
   85    HG3  ARG  10           HG3      ARG  10  -3.915   4.057   3.053
   86    HD2  ARG  10           HD2      ARG  10  -5.016   6.098   3.414
   87    HD3  ARG  10           HD3      ARG  10  -6.589   5.331   3.668
   88    HE   ARG  10           HE       ARG  10  -5.134   4.236   5.708
   89   HH11  ARG  10          HH11      ARG  10  -5.025   6.635   8.125
   90   HH12  ARG  10          HH12      ARG  10  -4.878   4.944   7.740
   91   HH21  ARG  10          HH21      ARG  10  -5.477   8.128   6.536
   92   HH22  ARG  10          HH22      ARG  10  -5.705   7.613   4.894
   93    H    ARG  11           H        ARG  11  -3.877   2.273  -0.275
   94    HA   ARG  11           HA       ARG  11  -1.221   3.676  -0.277
   95    HB2  ARG  11           HB2      ARG  11  -1.879   0.926   0.842
   96    HB3  ARG  11           HB3      ARG  11  -0.237   1.536   0.643
   97    HG2  ARG  11           HG2      ARG  11  -2.368   2.603   2.518
   98    HG3  ARG  11           HG3      ARG  11  -0.954   1.662   2.955
   99    HD2  ARG  11           HD2      ARG  11   0.552   3.452   2.333
  100    HD3  ARG  11           HD3      ARG  11  -0.752   4.429   1.684
  101    HE   ARG  11           HE       ARG  11  -0.222   3.808   4.576
  102   HH11  ARG  11          HH11      ARG  11  -2.207   7.088   3.556
  103   HH12  ARG  11          HH12      ARG  11  -2.019   5.866   2.321
  104   HH21  ARG  11          HH21      ARG  11  -1.466   6.698   5.675
  105   HH22  ARG  11          HH22      ARG  11  -0.589   5.192   5.979
  106    H    THR  12           H        THR  12   0.189   3.272  -1.815
  107    HA   THR  12           HA       THR  12  -0.528   1.625  -4.138
  108    HB   THR  12           HB       THR  12   1.329   2.511  -5.258
  109    HG1  THR  12           HG1      THR  12   2.940   3.681  -4.187
  110   HG21  THR  12          HG21      THR  12  -0.520   4.154  -4.884
  111   HG22  THR  12          HG22      THR  12   0.379   4.801  -3.482
  112   HG23  THR  12          HG23      THR  12   1.063   4.908  -5.114
  113    H    PHE  13           H        PHE  13   1.150   0.090  -5.127
  114    HA   PHE  13           HA       PHE  13   1.473  -2.092  -3.454
  115    HB2  PHE  13           HB2      PHE  13   1.435  -2.556  -5.695
  116    HB3  PHE  13           HB3      PHE  13   2.690  -1.394  -6.078
  117    HD1  PHE  13           HD1      PHE  13   2.064  -4.806  -4.769
  118    HD2  PHE  13           HD2      PHE  13   5.064  -1.915  -5.895
  119    HE1  PHE  13           HE1      PHE  13   3.791  -6.598  -4.793
  120    HE2  PHE  13           HE2      PHE  13   6.786  -3.697  -5.873
  121    HZ   PHE  13           HZ       PHE  13   6.153  -6.040  -5.323
  122    H    GLU  14           H        GLU  14   4.158   0.176  -4.107
  123    HA   GLU  14           HA       GLU  14   6.046  -1.230  -2.460
  124    HB2  GLU  14           HB2      GLU  14   5.844   1.721  -3.175
  125    HB3  GLU  14           HB3      GLU  14   7.242   0.990  -2.398
  126    HG2  GLU  14           HG2      GLU  14   6.174   0.243  -5.163
  127    HG3  GLU  14           HG3      GLU  14   7.497   1.354  -4.852
  128    H    GLN  15           H        GLN  15   3.611   1.245  -1.654
  129    HA   GLN  15           HA       GLN  15   4.473   1.613   1.096
  130    HB2  GLN  15           HB2      GLN  15   1.821   2.173  -0.268
  131    HB3  GLN  15           HB3      GLN  15   2.295   2.739   1.338
  132    HG2  GLN  15           HG2      GLN  15   4.015   4.166   0.434
  133    HG3  GLN  15           HG3      GLN  15   3.823   3.496  -1.186
  134   HE21  GLN  15          HE21      GLN  15   1.994   6.742  -1.119
  135   HE22  GLN  15          HE22      GLN  15   3.665   6.257  -0.872
  136    H    ARG  16           H        ARG  16   2.041  -0.484  -0.500
  137    HA   ARG  16           HA       ARG  16   1.074  -1.705   1.967
  138    HB2  ARG  16           HB2      ARG  16   0.947  -2.684  -0.923
  139    HB3  ARG  16           HB3      ARG  16   0.128  -3.437   0.456
  140    HG2  ARG  16           HG2      ARG  16  -1.027  -1.239   0.893
  141    HG3  ARG  16           HG3      ARG  16  -0.362  -0.624  -0.612
  142    HD2  ARG  16           HD2      ARG  16  -2.306  -2.943  -0.316
  143    HD3  ARG  16           HD3      ARG  16  -2.671  -1.328  -0.892
  144    HE   ARG  16           HE       ARG  16  -1.592  -1.737  -2.936
  145   HH11  ARG  16          HH11      ARG  16  -1.127  -3.203  -4.658
  146   HH12  ARG  16          HH12      ARG  16  -0.885  -4.892  -4.227
  147   HH21  ARG  16          HH21      ARG  16  -1.495  -4.666  -0.964
  148   HH22  ARG  16          HH22      ARG  16  -1.071  -5.630  -2.383
  149    H    VAL  17           H        VAL  17   3.705  -2.554  -0.278
  150    HA   VAL  17           HA       VAL  17   4.493  -4.969   1.103
  151    HB   VAL  17           HB       VAL  17   5.942  -3.060  -0.765
  152   HG11  VAL  17          HG11      VAL  17   7.707  -3.997   0.634
  153   HG12  VAL  17          HG12      VAL  17   7.029  -5.630   0.457
  154   HG13  VAL  17          HG13      VAL  17   7.735  -4.784  -0.941
  155   HG21  VAL  17          HG21      VAL  17   5.039  -5.967  -1.073
  156   HG22  VAL  17          HG22      VAL  17   4.151  -4.572  -1.698
  157   HG23  VAL  17          HG23      VAL  17   5.759  -4.936  -2.329
  158    H    GLU  18           H        GLU  18   5.549  -1.502   1.517
  159    HA   GLU  18           HA       GLU  18   7.281  -2.038   3.729
  160    HB2  GLU  18           HB2      GLU  18   5.708   0.403   2.885
  161    HB3  GLU  18           HB3      GLU  18   6.642   0.378   4.394
  162    HG2  GLU  18           HG2      GLU  18   8.686  -0.169   3.224
  163    HG3  GLU  18           HG3      GLU  18   7.843  -0.285   1.681
  164    H    ASP  19           H        ASP  19   3.773  -1.222   3.814
  165    HA   ASP  19           HA       ASP  19   3.339  -1.558   6.595
  166    HB2  ASP  19           HB2      ASP  19   1.754  -0.493   5.188
  167    HB3  ASP  19           HB3      ASP  19   1.564  -1.923   4.197
  168    H    VAL  20           H        VAL  20   2.972  -4.149   4.118
  169    HA   VAL  20           HA       VAL  20   2.603  -6.133   6.077
  170    HB   VAL  20           HB       VAL  20   2.224  -6.157   3.466
  171   HG11  VAL  20          HG11      VAL  20   4.676  -7.952   3.650
  172   HG12  VAL  20          HG12      VAL  20   3.626  -7.650   2.254
  173   HG13  VAL  20          HG13      VAL  20   4.655  -6.365   2.858
  174   HG21  VAL  20          HG21      VAL  20   1.272  -7.680   5.076
  175   HG22  VAL  20          HG22      VAL  20   1.838  -8.575   3.665
  176   HG23  VAL  20          HG23      VAL  20   2.800  -8.598   5.169
  177    H    ARG  21           H        ARG  21   5.682  -5.078   4.674
  178    HA   ARG  21           HA       ARG  21   7.250  -7.156   5.928
  179    HB2  ARG  21           HB2      ARG  21   7.829  -5.937   3.853
  180    HB3  ARG  21           HB3      ARG  21   8.123  -4.458   4.769
  181    HG2  ARG  21           HG2      ARG  21   9.596  -7.034   5.434
  182    HG3  ARG  21           HG3      ARG  21  10.095  -6.059   4.054
  183    HD2  ARG  21           HD2      ARG  21  10.621  -4.164   5.389
  184    HD3  ARG  21           HD3      ARG  21   9.894  -4.827   6.836
  185    HE   ARG  21           HE       ARG  21  12.539  -5.405   5.770
  186   HH11  ARG  21          HH11      ARG  21  10.026  -6.802   7.847
  187   HH12  ARG  21          HH12      ARG  21  11.234  -7.640   8.804
  188   HH21  ARG  21          HH21      ARG  21  13.943  -6.645   7.016
  189   HH22  ARG  21          HH22      ARG  21  13.292  -7.632   8.301
  190    H    LEU  22           H        LEU  22   6.408  -3.847   6.970
  191    HA   LEU  22           HA       LEU  22   7.947  -3.942   9.452
  192    HB2  LEU  22           HB2      LEU  22   5.534  -2.332   8.505
  193    HB3  LEU  22           HB3      LEU  22   6.219  -2.126  10.112
  194    HG   LEU  22           HG       LEU  22   7.930  -1.857   7.633
  195   HD11  LEU  22          HD11      LEU  22   6.054  -0.257   7.436
  196   HD12  LEU  22          HD12      LEU  22   6.419   0.368   9.059
  197   HD13  LEU  22          HD13      LEU  22   7.588   0.571   7.732
  198   HD21  LEU  22          HD21      LEU  22   9.146  -2.087   9.770
  199   HD22  LEU  22          HD22      LEU  22   9.338  -0.465   9.094
  200   HD23  LEU  22          HD23      LEU  22   8.216  -0.732  10.446
  201    H    ILE  23           H        ILE  23   4.518  -4.665   8.638
  202    HA   ILE  23           HA       ILE  23   3.752  -5.441  11.256
  203    HB   ILE  23           HB       ILE  23   2.722  -6.036   8.481
  204   HG12  ILE  23          HG12      ILE  23   2.202  -3.820   9.254
  205   HG13  ILE  23          HG13      ILE  23   0.738  -4.772   9.303
  206   HG21  ILE  23          HG21      ILE  23   1.516  -7.204  11.009
  207   HG22  ILE  23          HG22      ILE  23   0.722  -7.094   9.404
  208   HG23  ILE  23          HG23      ILE  23   2.153  -8.088   9.597
  209   HD11  ILE  23          HD11      ILE  23   2.421  -3.746  11.610
  210   HD12  ILE  23          HD12      ILE  23   0.719  -3.431  11.252
  211   HD13  ILE  23          HD13      ILE  23   1.211  -5.020  11.856
  212    H    ARG  24           H        ARG  24   5.075  -7.591   8.672
  213    HA   ARG  24           HA       ARG  24   5.034  -9.882  10.437
  214    HB2  ARG  24           HB2      ARG  24   5.313  -9.707   7.784
  215    HB3  ARG  24           HB3      ARG  24   7.033  -9.623   8.167
  216    HG2  ARG  24           HG2      ARG  24   6.626 -11.929   7.826
  217    HG3  ARG  24           HG3      ARG  24   6.624 -11.772   9.586
  218    HD2  ARG  24           HD2      ARG  24   4.002 -11.425   9.242
  219    HD3  ARG  24           HD3      ARG  24   4.286 -12.203   7.691
  220    HE   ARG  24           HE       ARG  24   4.134 -13.416  10.294
  221   HH11  ARG  24          HH11      ARG  24   5.561 -14.084   7.147
  222   HH12  ARG  24          HH12      ARG  24   6.129 -15.645   7.654
  223   HH21  ARG  24          HH21      ARG  24   4.970 -15.347  10.880
  224   HH22  ARG  24          HH22      ARG  24   5.674 -16.407   9.679
  225    H    GLU  25           H        GLU  25   7.473  -7.319  10.020
  226    HA   GLU  25           HA       GLU  25   9.508  -8.587  11.603
  227    HB2  GLU  25           HB2      GLU  25   9.713  -6.490  10.101
  228    HB3  GLU  25           HB3      GLU  25   9.008  -5.590  11.417
  229    HG2  GLU  25           HG2      GLU  25  11.343  -5.322  11.597
  230    HG3  GLU  25           HG3      GLU  25  10.859  -6.364  12.924
  231    H    GLN  26           H        GLN  26   7.001  -6.157  12.574
  232    HA   GLN  26           HA       GLN  26   7.751  -6.392  15.371
  233    HB2  GLN  26           HB2      GLN  26   5.926  -4.864  15.824
  234    HB3  GLN  26           HB3      GLN  26   6.997  -4.274  14.569
  235    HG2  GLN  26           HG2      GLN  26   5.342  -4.149  13.023
  236    HG3  GLN  26           HG3      GLN  26   4.695  -5.729  13.440
  237   HE21  GLN  26          HE21      GLN  26   1.846  -4.099  14.766
  238   HE22  GLN  26          HE22      GLN  26   2.500  -5.451  13.859
  239    H    HIS  27           H        HIS  27   5.452  -8.173  13.431
  240    HA   HIS  27           HA       HIS  27   4.614  -9.729  15.867
  241    HB2  HIS  27           HB2      HIS  27   2.822  -8.613  13.659
  242    HB3  HIS  27           HB3      HIS  27   2.326  -9.864  14.785
  243    HD1  HIS  27           HD1      HIS  27   4.015  -7.666  17.095
  244    HD2  HIS  27           HD2      HIS  27   0.385  -7.752  14.926
  245    HE1  HIS  27           HE1      HIS  27   2.322  -6.236  18.417
  246    HE2  HIS  27           HE2      HIS  27   0.103  -6.327  17.096
  247    HA   PRO  28           HA       PRO  28   6.328 -12.425  12.450
  248    HB2  PRO  28           HB2      PRO  28   7.378 -13.865  14.896
  249    HB3  PRO  28           HB3      PRO  28   8.151 -13.640  13.296
  250    HG2  PRO  28           HG2      PRO  28   8.882 -12.082  15.367
  251    HG3  PRO  28           HG3      PRO  28   8.585 -11.324  13.766
  252    HD2  PRO  28           HD2      PRO  28   6.719 -11.472  16.153
  253    HD3  PRO  28           HD3      PRO  28   7.144 -10.069  15.124
  254    H    THR  29           H        THR  29   4.671 -13.461  15.469
  255    HA   THR  29           HA       THR  29   3.723 -15.943  14.351
  256    HB   THR  29           HB       THR  29   2.653 -16.414  16.319
  257    HG1  THR  29           HG1      THR  29   1.968 -14.913  17.761
  258   HG21  THR  29          HG21      THR  29   4.163 -15.926  18.127
  259   HG22  THR  29          HG22      THR  29   5.147 -16.114  16.666
  260   HG23  THR  29          HG23      THR  29   4.803 -14.489  17.313
  261    H    LYS  30           H        LYS  30   2.613 -12.840  13.702
  262    HA   LYS  30           HA       LYS  30  -0.130 -13.799  13.045
  263    HB2  LYS  30           HB2      LYS  30   1.081 -11.023  13.167
  264    HB3  LYS  30           HB3      LYS  30  -0.404 -11.345  12.299
  265    HG2  LYS  30           HG2      LYS  30  -0.911 -10.492  14.489
  266    HG3  LYS  30           HG3      LYS  30  -1.542 -12.123  14.299
  267    HD2  LYS  30           HD2      LYS  30   0.156 -13.051  15.738
  268    HD3  LYS  30           HD3      LYS  30   1.073 -11.533  15.746
  269    HE2  LYS  30           HE2      LYS  30  -0.946 -10.414  16.820
  270    HE3  LYS  30           HE3      LYS  30  -1.704 -11.997  16.941
  271    HZ1  LYS  30           HZ1      LYS  30  -0.548 -11.443  19.015
  272    HZ2  LYS  30           HZ2      LYS  30   0.267 -12.694  18.334
  273    HZ3  LYS  30           HZ3      LYS  30   0.869 -11.176  18.255
  274    H    ILE  31           H        ILE  31  -1.002 -13.491  11.052
  275    HA   ILE  31           HA       ILE  31   0.829 -13.763   8.720
  276    HB   ILE  31           HB       ILE  31  -1.831 -15.087   9.373
  277   HG12  ILE  31          HG12      ILE  31  -0.013 -16.049  10.693
  278   HG13  ILE  31          HG13      ILE  31  -0.604 -17.176   9.490
  279   HG21  ILE  31          HG21      ILE  31  -1.380 -16.450   7.320
  280   HG22  ILE  31          HG22      ILE  31  -1.792 -14.760   7.001
  281   HG23  ILE  31          HG23      ILE  31  -0.096 -15.292   6.897
  282   HD11  ILE  31          HD11      ILE  31   1.998 -15.588   9.276
  283   HD12  ILE  31          HD12      ILE  31   1.829 -17.298   9.678
  284   HD13  ILE  31          HD13      ILE  31   1.380 -16.740   8.062
  285    HA   PRO  32           HA       PRO  32  -1.539 -10.132   7.533
  286    HB2  PRO  32           HB2      PRO  32  -0.240  -9.433   5.263
  287    HB3  PRO  32           HB3      PRO  32   0.551  -9.371   6.870
  288    HG2  PRO  32           HG2      PRO  32   0.736 -11.571   4.769
  289    HG3  PRO  32           HG3      PRO  32   2.078 -10.773   5.644
  290    HD2  PRO  32           HD2      PRO  32   1.001 -13.154   6.444
  291    HD3  PRO  32           HD3      PRO  32   1.645 -11.950   7.605
  292    H    VAL  33           H        VAL  33  -3.561 -10.080   6.698
  293    HA   VAL  33           HA       VAL  33  -4.148 -11.470   4.125
  294    HB   VAL  33           HB       VAL  33  -6.059 -11.425   6.459
  295   HG11  VAL  33          HG11      VAL  33  -5.903 -13.173   3.971
  296   HG12  VAL  33          HG12      VAL  33  -7.117 -13.297   5.267
  297   HG13  VAL  33          HG13      VAL  33  -7.072 -11.863   4.247
  298   HG21  VAL  33          HG21      VAL  33  -4.175 -12.696   7.289
  299   HG22  VAL  33          HG22      VAL  33  -5.465 -13.813   6.859
  300   HG23  VAL  33          HG23      VAL  33  -4.065 -13.618   5.776
  301    H    ILE  34           H        ILE  34  -5.488 -10.467   2.671
  302    HA   ILE  34           HA       ILE  34  -6.724  -7.840   3.473
  303    HB   ILE  34           HB       ILE  34  -5.935  -8.841   0.719
  304   HG12  ILE  34          HG12      ILE  34  -4.015  -8.048   1.884
  305   HG13  ILE  34          HG13      ILE  34  -4.452  -6.853   0.684
  306   HG21  ILE  34          HG21      ILE  34  -7.997  -7.598   0.452
  307   HG22  ILE  34          HG22      ILE  34  -7.423  -6.292   1.513
  308   HG23  ILE  34          HG23      ILE  34  -6.670  -6.571  -0.069
  309   HD11  ILE  34          HD11      ILE  34  -3.743  -5.730   2.692
  310   HD12  ILE  34          HD12      ILE  34  -5.498  -5.487   2.566
  311   HD13  ILE  34          HD13      ILE  34  -4.820  -6.684   3.704
  312    H    ILE  35           H        ILE  35  -8.884  -7.580   3.271
  313    HA   ILE  35           HA       ILE  35 -10.484  -9.832   2.167
  314    HB   ILE  35           HB       ILE  35 -10.698 -10.144   4.474
  315   HG12  ILE  35          HG12      ILE  35 -13.198  -8.630   3.560
  316   HG13  ILE  35          HG13      ILE  35 -12.738 -10.239   2.978
  317   HG21  ILE  35          HG21      ILE  35  -9.977  -7.953   5.359
  318   HG22  ILE  35          HG22      ILE  35 -11.504  -7.214   4.798
  319   HG23  ILE  35          HG23      ILE  35 -11.512  -8.438   6.061
  320   HD11  ILE  35          HD11      ILE  35 -12.761 -11.052   5.380
  321   HD12  ILE  35          HD12      ILE  35 -13.493  -9.498   5.833
  322   HD13  ILE  35          HD13      ILE  35 -14.336 -10.569   4.709
  323    H    GLU  36           H        GLU  36 -11.516  -9.173   0.419
  324    HA   GLU  36           HA       GLU  36 -12.384  -6.297   0.217
  325    HB2  GLU  36           HB2      GLU  36 -10.192  -6.577  -0.794
  326    HB3  GLU  36           HB3      GLU  36 -10.773  -7.943  -1.762
  327    HG2  GLU  36           HG2      GLU  36 -12.326  -6.460  -2.964
  328    HG3  GLU  36           HG3      GLU  36 -11.808  -5.089  -1.972
  329    H    ARG  37           H        ARG  37 -14.378  -6.008  -0.316
  330    HA   ARG  37           HA       ARG  37 -16.254  -8.010  -1.093
  331    HB2  ARG  37           HB2      ARG  37 -16.662  -5.828   0.005
  332    HB3  ARG  37           HB3      ARG  37 -16.267  -4.981  -1.484
  333    HG2  ARG  37           HG2      ARG  37 -18.246  -5.767  -2.563
  334    HG3  ARG  37           HG3      ARG  37 -18.563  -6.966  -1.299
  335    HD2  ARG  37           HD2      ARG  37 -20.034  -4.950  -1.159
  336    HD3  ARG  37           HD3      ARG  37 -19.146  -5.276   0.312
  337    HE   ARG  37           HE       ARG  37 -18.780  -3.010  -1.569
  338   HH11  ARG  37          HH11      ARG  37 -17.542  -4.422   1.453
  339   HH12  ARG  37          HH12      ARG  37 -16.644  -2.972   1.800
  340   HH21  ARG  37          HH21      ARG  37 -17.555  -1.257  -1.023
  341   HH22  ARG  37          HH22      ARG  37 -16.624  -1.247   0.436
  342    H    TYR  38           H        TYR  38 -16.891  -8.824  -3.041
  343    HA   TYR  38           HA       TYR  38 -15.095  -8.821  -5.102
  344    HB2  TYR  38           HB2      TYR  38 -16.346 -10.708  -4.925
  345    HB3  TYR  38           HB3      TYR  38 -17.864  -9.841  -4.885
  346    HD1  TYR  38           HD1      TYR  38 -19.246  -9.898  -6.748
  347    HD2  TYR  38           HD2      TYR  38 -15.010 -10.566  -7.261
  348    HE1  TYR  38           HE1      TYR  38 -19.604 -10.337  -9.169
  349    HE2  TYR  38           HE2      TYR  38 -15.369 -10.939  -9.689
  350    HH   TYR  38           HH       TYR  38 -18.627 -10.912 -11.185
  351    H    LYS  39           H        LYS  39 -14.704  -8.141  -7.125
  352    HA   LYS  39           HA       LYS  39 -15.115  -5.395  -7.606
  353    HB2  LYS  39           HB2      LYS  39 -14.244  -7.651  -9.459
  354    HB3  LYS  39           HB3      LYS  39 -14.250  -5.970  -9.959
  355    HG2  LYS  39           HG2      LYS  39 -12.600  -7.099  -7.658
  356    HG3  LYS  39           HG3      LYS  39 -12.039  -6.749  -9.295
  357    HD2  LYS  39           HD2      LYS  39 -12.936  -4.311  -8.809
  358    HD3  LYS  39           HD3      LYS  39 -12.823  -4.797  -7.113
  359    HE2  LYS  39           HE2      LYS  39 -10.564  -4.828  -9.180
  360    HE3  LYS  39           HE3      LYS  39 -10.810  -3.586  -7.952
  361    HZ1  LYS  39           HZ1      LYS  39 -10.429  -5.266  -6.222
  362    HZ2  LYS  39           HZ2      LYS  39 -10.190  -6.440  -7.357
  363    HZ3  LYS  39           HZ3      LYS  39  -9.148  -5.191  -7.235
  364    H    GLY  40           H        GLY  40 -16.695  -8.076  -9.350
  365    HA2  GLY  40           HA2      GLY  40 -18.138  -6.328 -11.126
  366    HA3  GLY  40           HA3      GLY  40 -18.328  -8.071 -10.974
  367    H    GLU  41           H        GLU  41 -19.004  -7.637  -7.980
  368    HA   GLU  41           HA       GLU  41 -21.578  -6.229  -8.082
  369    HB2  GLU  41           HB2      GLU  41 -22.229  -8.392  -8.996
  370    HB3  GLU  41           HB3      GLU  41 -21.387  -9.231  -7.702
  371    HG2  GLU  41           HG2      GLU  41 -23.660  -9.400  -7.188
  372    HG3  GLU  41           HG3      GLU  41 -22.995  -8.251  -6.048
  373    H    LYS  42           H        LYS  42 -21.801  -5.144  -6.290
  374    HA   LYS  42           HA       LYS  42 -20.335  -5.946  -3.811
  375    HB2  LYS  42           HB2      LYS  42 -21.125  -3.195  -4.849
  376    HB3  LYS  42           HB3      LYS  42 -20.288  -3.515  -3.328
  377    HG2  LYS  42           HG2      LYS  42 -18.416  -4.593  -4.622
  378    HG3  LYS  42           HG3      LYS  42 -19.229  -4.131  -6.123
  379    HD2  LYS  42           HD2      LYS  42 -19.033  -1.722  -5.450
  380    HD3  LYS  42           HD3      LYS  42 -18.212  -2.224  -3.975
  381    HE2  LYS  42           HE2      LYS  42 -16.499  -1.521  -5.446
  382    HE3  LYS  42           HE3      LYS  42 -16.385  -3.272  -5.370
  383    HZ1  LYS  42           HZ1      LYS  42 -17.503  -3.393  -7.558
  384    HZ2  LYS  42           HZ2      LYS  42 -17.753  -1.771  -7.572
  385    HZ3  LYS  42           HZ3      LYS  42 -16.242  -2.362  -7.675
  386    H    GLN  43           H        GLN  43 -22.593  -7.271  -4.095
  387    HA   GLN  43           HA       GLN  43 -24.993  -5.929  -3.290
  388    HB2  GLN  43           HB2      GLN  43 -24.723  -8.013  -4.684
  389    HB3  GLN  43           HB3      GLN  43 -24.418  -8.923  -3.207
  390    HG2  GLN  43           HG2      GLN  43 -26.659  -8.277  -2.366
  391    HG3  GLN  43           HG3      GLN  43 -26.910  -7.280  -3.812
  392   HE21  GLN  43          HE21      GLN  43 -27.257 -10.265  -5.959
  393   HE22  GLN  43          HE22      GLN  43 -26.451  -8.694  -6.002
  394    H    LEU  44           H        LEU  44 -22.746  -7.997  -1.406
  395    HA   LEU  44           HA       LEU  44 -24.406  -8.040   0.957
  396    HB2  LEU  44           HB2      LEU  44 -21.511  -8.770   0.383
  397    HB3  LEU  44           HB3      LEU  44 -22.162  -8.871   2.010
  398    HG   LEU  44           HG       LEU  44 -23.241 -10.424  -0.381
  399   HD11  LEU  44          HD11      LEU  44 -20.983 -11.129   0.391
  400   HD12  LEU  44          HD12      LEU  44 -21.625 -11.289   2.047
  401   HD13  LEU  44          HD13      LEU  44 -22.214 -12.352   0.751
  402   HD21  LEU  44          HD21      LEU  44 -24.459 -11.740   1.362
  403   HD22  LEU  44          HD22      LEU  44 -23.952 -10.566   2.594
  404   HD23  LEU  44          HD23      LEU  44 -25.042 -10.081   1.275
  405    HA   PRO  45           HA       PRO  45 -23.647  -4.422   3.298
  406    HB2  PRO  45           HB2      PRO  45 -22.491  -6.303   5.375
  407    HB3  PRO  45           HB3      PRO  45 -23.527  -4.855   5.623
  408    HG2  PRO  45           HG2      PRO  45 -24.683  -7.298   5.552
  409    HG3  PRO  45           HG3      PRO  45 -25.420  -5.954   4.622
  410    HD2  PRO  45           HD2      PRO  45 -23.719  -8.218   3.598
  411    HD3  PRO  45           HD3      PRO  45 -25.146  -7.438   2.870
  412    H    VAL  46           H        VAL  46 -22.222  -2.857   3.583
  413    HA   VAL  46           HA       VAL  46 -19.485  -3.339   2.657
  414    HB   VAL  46           HB       VAL  46 -19.592  -1.176   1.728
  415   HG11  VAL  46          HG11      VAL  46 -21.353  -1.369   0.135
  416   HG12  VAL  46          HG12      VAL  46 -20.846  -3.014   0.553
  417   HG13  VAL  46          HG13      VAL  46 -22.346  -2.347   1.223
  418   HG21  VAL  46          HG21      VAL  46 -20.760   0.162   3.447
  419   HG22  VAL  46          HG22      VAL  46 -21.569   0.323   1.893
  420   HG23  VAL  46          HG23      VAL  46 -22.262  -0.725   3.136
  421    H    LEU  47           H        LEU  47 -19.804  -3.799   5.409
  422    HA   LEU  47           HA       LEU  47 -19.275  -1.627   7.115
  423    HB2  LEU  47           HB2      LEU  47 -18.641  -4.587   7.329
  424    HB3  LEU  47           HB3      LEU  47 -18.188  -3.481   8.606
  425    HG   LEU  47           HG       LEU  47 -20.208  -4.641   9.172
  426   HD11  LEU  47          HD11      LEU  47 -20.896  -1.725   8.650
  427   HD12  LEU  47          HD12      LEU  47 -21.607  -2.807   9.856
  428   HD13  LEU  47          HD13      LEU  47 -19.908  -2.327  10.005
  429   HD21  LEU  47          HD21      LEU  47 -21.632  -3.277   6.862
  430   HD22  LEU  47          HD22      LEU  47 -21.086  -4.983   6.870
  431   HD23  LEU  47          HD23      LEU  47 -22.298  -4.424   8.033
  432    H    ASP  48           H        ASP  48 -17.476  -0.951   8.273
  433    HA   ASP  48           HA       ASP  48 -15.368  -0.299   6.474
  434    HB2  ASP  48           HB2      ASP  48 -14.680   1.342   8.252
  435    HB3  ASP  48           HB3      ASP  48 -16.261   1.497   7.532
  436    H    LYS  49           H        LYS  49 -14.789  -2.803   6.673
  437    HA   LYS  49           HA       LYS  49 -12.062  -2.698   7.844
  438    HB2  LYS  49           HB2      LYS  49 -13.935  -5.078   8.230
  439    HB3  LYS  49           HB3      LYS  49 -12.190  -5.130   8.439
  440    HG2  LYS  49           HG2      LYS  49 -12.750  -4.794  10.589
  441    HG3  LYS  49           HG3      LYS  49 -12.557  -3.120  10.093
  442    HD2  LYS  49           HD2      LYS  49 -15.175  -3.179   9.705
  443    HD3  LYS  49           HD3      LYS  49 -15.117  -4.725  10.542
  444    HE2  LYS  49           HE2      LYS  49 -15.638  -3.199  12.246
  445    HE3  LYS  49           HE3      LYS  49 -13.911  -3.494  12.464
  446    HZ1  LYS  49           HZ1      LYS  49 -13.543  -1.360  11.179
  447    HZ2  LYS  49           HZ2      LYS  49 -15.163  -1.118  11.137
  448    HZ3  LYS  49           HZ3      LYS  49 -14.384  -1.114  12.572
  449    H    THR  50           H        THR  50 -10.499  -3.615   6.732
  450    HA   THR  50           HA       THR  50 -11.096  -4.953   4.158
  451    HB   THR  50           HB       THR  50  -9.082  -2.796   3.916
  452    HG1  THR  50           HG1      THR  50 -10.825  -1.319   3.426
  453   HG21  THR  50          HG21      THR  50 -10.111  -2.558   1.689
  454   HG22  THR  50          HG22      THR  50  -9.650  -4.242   1.984
  455   HG23  THR  50          HG23      THR  50 -11.356  -3.754   2.125
  456    H    LYS  51           H        LYS  51  -9.076  -5.052   6.853
  457    HA   LYS  51           HA       LYS  51  -7.322  -7.027   5.535
  458    HB2  LYS  51           HB2      LYS  51  -5.233  -5.823   6.034
  459    HB3  LYS  51           HB3      LYS  51  -6.258  -4.946   4.900
  460    HG2  LYS  51           HG2      LYS  51  -7.123  -3.665   7.047
  461    HG3  LYS  51           HG3      LYS  51  -5.652  -4.271   7.792
  462    HD2  LYS  51           HD2      LYS  51  -5.810  -2.587   5.238
  463    HD3  LYS  51           HD3      LYS  51  -5.496  -1.989   6.860
  464    HE2  LYS  51           HE2      LYS  51  -3.525  -3.865   6.715
  465    HE3  LYS  51           HE3      LYS  51  -3.674  -3.473   4.988
  466    HZ1  LYS  51           HZ1      LYS  51  -3.223  -1.562   7.227
  467    HZ2  LYS  51           HZ2      LYS  51  -2.105  -1.917   6.082
  468    HZ3  LYS  51           HZ3      LYS  51  -3.469  -1.060   5.708
  469    H    PHE  52           H        PHE  52  -6.248  -8.367   6.895
  470    HA   PHE  52           HA       PHE  52  -6.715  -8.109   9.779
  471    HB2  PHE  52           HB2      PHE  52  -7.785 -10.355   8.126
  472    HB3  PHE  52           HB3      PHE  52  -7.410 -10.566   9.830
  473    HD1  PHE  52           HD1      PHE  52  -9.949  -9.512   7.565
  474    HD2  PHE  52           HD2      PHE  52  -8.366  -8.775  11.505
  475    HE1  PHE  52           HE1      PHE  52 -12.117  -8.501   8.261
  476    HE2  PHE  52           HE2      PHE  52 -10.528  -7.801  12.189
  477    HZ   PHE  52           HZ       PHE  52 -12.403  -7.646  10.575
  478    H    LEU  53           H        LEU  53  -5.277  -8.809  11.186
  479    HA   LEU  53           HA       LEU  53  -2.764 -10.098  10.154
  480    HB2  LEU  53           HB2      LEU  53  -3.379  -8.007  12.279
  481    HB3  LEU  53           HB3      LEU  53  -1.958  -9.031  12.433
  482    HG   LEU  53           HG       LEU  53  -0.997  -8.239  10.404
  483   HD11  LEU  53          HD11      LEU  53  -3.485  -6.541   9.972
  484   HD12  LEU  53          HD12      LEU  53  -1.941  -6.317   9.111
  485   HD13  LEU  53          HD13      LEU  53  -2.837  -7.812   8.900
  486   HD21  LEU  53          HD21      LEU  53  -0.577  -6.890  12.389
  487   HD22  LEU  53          HD22      LEU  53  -0.744  -5.808  10.987
  488   HD23  LEU  53          HD23      LEU  53  -2.069  -5.970  12.140
  489    H    VAL  54           H        VAL  54  -3.408 -12.201  10.341
  490    HA   VAL  54           HA       VAL  54  -4.921 -13.029  12.725
  491    HB   VAL  54           HB       VAL  54  -4.398 -14.785  10.350
  492   HG11  VAL  54          HG11      VAL  54  -5.432 -15.767  12.407
  493   HG12  VAL  54          HG12      VAL  54  -6.764 -14.595  12.277
  494   HG13  VAL  54          HG13      VAL  54  -6.510 -15.815  11.009
  495   HG21  VAL  54          HG21      VAL  54  -6.490 -14.020   9.340
  496   HG22  VAL  54          HG22      VAL  54  -6.673 -12.772  10.597
  497   HG23  VAL  54          HG23      VAL  54  -5.344 -12.693   9.413
  498    HA   PRO  55           HA       PRO  55  -1.419 -15.147  14.612
  499    HB2  PRO  55           HB2      PRO  55  -3.633 -16.675  15.982
  500    HB3  PRO  55           HB3      PRO  55  -2.136 -15.985  16.674
  501    HG2  PRO  55           HG2      PRO  55  -4.521 -14.726  16.980
  502    HG3  PRO  55           HG3      PRO  55  -3.045 -13.776  16.612
  503    HD2  PRO  55           HD2      PRO  55  -5.245 -14.654  14.737
  504    HD3  PRO  55           HD3      PRO  55  -4.407 -13.071  14.852
  505    H    ASP  56           H        ASP  56  -0.307 -16.895  13.909
  506    HA   ASP  56           HA       ASP  56  -1.035 -18.192  11.637
  507    HB2  ASP  56           HB2      ASP  56   0.915 -19.733  12.070
  508    HB3  ASP  56           HB3      ASP  56   1.208 -17.998  12.108
  509    H    HIS  57           H        HIS  57  -1.798 -19.501  14.773
  510    HA   HIS  57           HA       HIS  57  -2.518 -22.156  13.772
  511    HB2  HIS  57           HB2      HIS  57  -2.682 -20.797  16.484
  512    HB3  HIS  57           HB3      HIS  57  -3.399 -22.372  16.196
  513    HD1  HIS  57           HD1      HIS  57   0.188 -20.855  15.664
  514    HD2  HIS  57           HD2      HIS  57  -1.915 -24.332  16.864
  515    HE1  HIS  57           HE1      HIS  57   1.959 -22.566  16.411
  516    HE2  HIS  57           HE2      HIS  57   0.675 -24.679  17.137
  517    H    VAL  58           H        VAL  58  -4.298 -19.226  13.705
  518    HA   VAL  58           HA       VAL  58  -6.970 -20.216  14.308
  519    HB   VAL  58           HB       VAL  58  -5.998 -17.886  12.636
  520   HG11  VAL  58          HG11      VAL  58  -8.833 -18.482  13.557
  521   HG12  VAL  58          HG12      VAL  58  -8.289 -16.945  12.867
  522   HG13  VAL  58          HG13      VAL  58  -8.265 -18.398  11.870
  523   HG21  VAL  58          HG21      VAL  58  -6.708 -16.544  14.602
  524   HG22  VAL  58          HG22      VAL  58  -7.190 -18.031  15.447
  525   HG23  VAL  58          HG23      VAL  58  -5.484 -17.730  15.061
  526    H    ASN  59           H        ASN  59  -8.322 -21.476  13.013
  527    HA   ASN  59           HA       ASN  59  -7.389 -22.197  10.286
  528    HB2  ASN  59           HB2      ASN  59  -9.002 -23.987  10.384
  529    HB3  ASN  59           HB3      ASN  59  -8.026 -23.994  11.842
  530   HD21  ASN  59          HD21      ASN  59 -10.935 -23.921  13.848
  531   HD22  ASN  59          HD22      ASN  59  -9.233 -24.328  13.717
  532    H    MET  60           H        MET  60  -9.062 -22.353   8.504
  533    HA   MET  60           HA       MET  60 -10.032 -19.748   7.950
  534    HB2  MET  60           HB2      MET  60 -10.567 -22.442   6.672
  535    HB3  MET  60           HB3      MET  60 -11.305 -20.973   6.052
  536    HG2  MET  60           HG2      MET  60  -8.316 -21.459   6.336
  537    HG3  MET  60           HG3      MET  60  -9.242 -21.542   4.841
  538    HE1  MET  60           HE1      MET  60 -11.208 -18.904   5.082
  539    HE2  MET  60           HE2      MET  60 -10.192 -17.811   4.131
  540    HE3  MET  60           HE3      MET  60 -10.360 -19.505   3.635
  541    H    SER  61           H        SER  61 -11.927 -22.519   9.245
  542    HA   SER  61           HA       SER  61 -14.483 -21.179   9.029
  543    HB2  SER  61           HB2      SER  61 -14.247 -23.610   9.305
  544    HB3  SER  61           HB3      SER  61 -13.569 -23.374  10.928
  545    HG   SER  61           HG       SER  61 -15.852 -23.836  10.933
  546    H    GLU  62           H        GLU  62 -12.056 -21.315  11.668
  547    HA   GLU  62           HA       GLU  62 -13.531 -19.665  13.494
  548    HB2  GLU  62           HB2      GLU  62 -11.654 -21.170  14.126
  549    HB3  GLU  62           HB3      GLU  62 -10.539 -20.119  13.268
  550    HG2  GLU  62           HG2      GLU  62 -10.359 -19.629  15.583
  551    HG3  GLU  62           HG3      GLU  62 -11.125 -18.249  14.818
  552    H    LEU  63           H        LEU  63 -11.071 -18.796  11.017
  553    HA   LEU  63           HA       LEU  63 -11.138 -15.971  11.415
  554    HB2  LEU  63           HB2      LEU  63  -9.472 -17.151   9.986
  555    HB3  LEU  63           HB3      LEU  63 -10.751 -17.608   8.871
  556    HG   LEU  63           HG       LEU  63 -11.147 -15.148   8.387
  557   HD11  LEU  63          HD11      LEU  63  -9.297 -13.588   8.966
  558   HD12  LEU  63          HD12      LEU  63 -10.114 -14.182  10.421
  559   HD13  LEU  63          HD13      LEU  63  -8.552 -14.871   9.962
  560   HD21  LEU  63          HD21      LEU  63  -8.345 -16.192   7.829
  561   HD22  LEU  63          HD22      LEU  63  -9.800 -16.571   6.877
  562   HD23  LEU  63          HD23      LEU  63  -9.192 -14.916   6.919
  563    H    ILE  64           H        ILE  64 -13.213 -18.042   9.343
  564    HA   ILE  64           HA       ILE  64 -14.875 -15.971   8.299
  565    HB   ILE  64           HB       ILE  64 -15.195 -18.949   8.691
  566   HG12  ILE  64          HG12      ILE  64 -15.152 -17.279   6.147
  567   HG13  ILE  64          HG13      ILE  64 -13.676 -17.809   6.950
  568   HG21  ILE  64          HG21      ILE  64 -17.265 -18.916   7.335
  569   HG22  ILE  64          HG22      ILE  64 -17.501 -18.163   8.896
  570   HG23  ILE  64          HG23      ILE  64 -17.313 -17.138   7.449
  571   HD11  ILE  64          HD11      ILE  64 -14.176 -19.334   5.159
  572   HD12  ILE  64          HD12      ILE  64 -14.361 -20.182   6.709
  573   HD13  ILE  64          HD13      ILE  64 -15.795 -19.649   5.807
  574    H    LYS  65           H        LYS  65 -15.234 -17.785  11.378
  575    HA   LYS  65           HA       LYS  65 -17.726 -16.588  12.146
  576    HB2  LYS  65           HB2      LYS  65 -15.436 -17.734  13.772
  577    HB3  LYS  65           HB3      LYS  65 -16.917 -17.119  14.512
  578    HG2  LYS  65           HG2      LYS  65 -18.282 -18.770  13.513
  579    HG3  LYS  65           HG3      LYS  65 -17.070 -19.200  12.307
  580    HD2  LYS  65           HD2      LYS  65 -17.215 -20.954  13.992
  581    HD3  LYS  65           HD3      LYS  65 -15.628 -20.188  14.015
  582    HE2  LYS  65           HE2      LYS  65 -16.512 -18.730  15.959
  583    HE3  LYS  65           HE3      LYS  65 -17.914 -19.811  16.000
  584    HZ1  LYS  65           HZ1      LYS  65 -15.057 -20.605  16.374
  585    HZ2  LYS  65           HZ2      LYS  65 -16.192 -20.543  17.557
  586    HZ3  LYS  65           HZ3      LYS  65 -16.314 -21.670  16.381
  587    H    ILE  66           H        ILE  66 -14.397 -15.416  12.972
  588    HA   ILE  66           HA       ILE  66 -15.501 -13.037  14.239
  589    HB   ILE  66           HB       ILE  66 -13.448 -13.707  15.037
  590   HG12  ILE  66          HG12      ILE  66 -13.784 -11.224  14.886
  591   HG13  ILE  66          HG13      ILE  66 -12.150 -11.791  15.109
  592   HG21  ILE  66          HG21      ILE  66 -12.435 -14.979  13.301
  593   HG22  ILE  66          HG22      ILE  66 -12.249 -13.553  12.258
  594   HG23  ILE  66          HG23      ILE  66 -11.314 -13.718  13.762
  595   HD11  ILE  66          HD11      ILE  66 -11.704 -11.370  12.645
  596   HD12  ILE  66          HD12      ILE  66 -13.261 -10.520  12.594
  597   HD13  ILE  66          HD13      ILE  66 -11.983  -9.953  13.660
  598    H    ILE  67           H        ILE  67 -14.297 -13.592  10.917
  599    HA   ILE  67           HA       ILE  67 -14.696 -10.869  10.052
  600    HB   ILE  67           HB       ILE  67 -14.282 -13.519   8.722
  601   HG12  ILE  67          HG12      ILE  67 -12.441 -12.418   7.639
  602   HG13  ILE  67          HG13      ILE  67 -13.021 -10.820   8.090
  603   HG21  ILE  67          HG21      ILE  67 -14.533 -12.548   6.478
  604   HG22  ILE  67          HG22      ILE  67 -16.076 -12.704   7.317
  605   HG23  ILE  67          HG23      ILE  67 -15.292 -11.105   7.178
  606   HD11  ILE  67          HD11      ILE  67 -11.993 -12.847  10.104
  607   HD12  ILE  67          HD12      ILE  67 -11.003 -11.594   9.353
  608   HD13  ILE  67          HD13      ILE  67 -12.354 -11.126  10.389
  609    H    ARG  68           H        ARG  68 -17.021 -13.648   9.979
  610    HA   ARG  68           HA       ARG  68 -19.229 -12.146   8.934
  611    HB2  ARG  68           HB2      ARG  68 -19.033 -14.593  10.737
  612    HB3  ARG  68           HB3      ARG  68 -20.582 -13.807  10.467
  613    HG2  ARG  68           HG2      ARG  68 -20.285 -14.077   7.990
  614    HG3  ARG  68           HG3      ARG  68 -18.823 -15.023   8.292
  615    HD2  ARG  68           HD2      ARG  68 -20.075 -16.721   9.468
  616    HD3  ARG  68           HD3      ARG  68 -21.503 -15.711   9.594
  617    HE   ARG  68           HE       ARG  68 -20.627 -17.287   7.274
  618   HH11  ARG  68          HH11      ARG  68 -22.916 -14.807   8.340
  619   HH12  ARG  68          HH12      ARG  68 -24.052 -15.229   7.085
  620   HH21  ARG  68          HH21      ARG  68 -22.183 -17.724   5.700
  621   HH22  ARG  68          HH22      ARG  68 -23.605 -16.700   5.608
  622    H    ARG  69           H        ARG  69 -18.222 -12.520  12.353
  623    HA   ARG  69           HA       ARG  69 -20.288 -10.823  13.375
  624    HB2  ARG  69           HB2      ARG  69 -19.076 -12.404  14.777
  625    HB3  ARG  69           HB3      ARG  69 -17.552 -11.572  14.504
  626    HG2  ARG  69           HG2      ARG  69 -18.439 -11.082  16.731
  627    HG3  ARG  69           HG3      ARG  69 -18.324  -9.616  15.765
  628    HD2  ARG  69           HD2      ARG  69 -20.852  -9.923  15.260
  629    HD3  ARG  69           HD3      ARG  69 -20.826 -11.208  16.453
  630    HE   ARG  69           HE       ARG  69 -20.594  -9.649  18.170
  631   HH11  ARG  69          HH11      ARG  69 -20.301  -7.856  15.120
  632   HH12  ARG  69          HH12      ARG  69 -20.628  -6.346  15.923
  633   HH21  ARG  69          HH21      ARG  69 -20.946  -7.672  19.071
  634   HH22  ARG  69          HH22      ARG  69 -20.966  -6.240  18.087
  635    H    ARG  70           H        ARG  70 -17.048  -9.935  12.193
  636    HA   ARG  70           HA       ARG  70 -17.366  -7.078  12.857
  637    HB2  ARG  70           HB2      ARG  70 -15.299  -8.777  11.476
  638    HB3  ARG  70           HB3      ARG  70 -15.392  -7.099  10.976
  639    HG2  ARG  70           HG2      ARG  70 -13.792  -7.217  12.723
  640    HG3  ARG  70           HG3      ARG  70 -15.188  -6.345  13.326
  641    HD2  ARG  70           HD2      ARG  70 -15.583  -9.106  14.016
  642    HD3  ARG  70           HD3      ARG  70 -13.902  -8.749  14.340
  643    HE   ARG  70           HE       ARG  70 -16.283  -7.503  15.633
  644   HH11  ARG  70          HH11      ARG  70 -12.742  -7.375  15.519
  645   HH12  ARG  70          HH12      ARG  70 -12.716  -7.010  17.251
  646   HH21  ARG  70          HH21      ARG  70 -15.961  -6.799  17.789
  647   HH22  ARG  70          HH22      ARG  70 -14.295  -6.621  18.339
  648    H    LEU  71           H        LEU  71 -18.002  -8.970   9.926
  649    HA   LEU  71           HA       LEU  71 -18.949  -6.589   8.470
  650    HB2  LEU  71           HB2      LEU  71 -18.970  -9.546   7.774
  651    HB3  LEU  71           HB3      LEU  71 -19.511  -8.255   6.700
  652    HG   LEU  71           HG       LEU  71 -16.656  -8.661   7.676
  653   HD11  LEU  71          HD11      LEU  71 -17.447 -10.294   5.985
  654   HD12  LEU  71          HD12      LEU  71 -17.969  -8.957   4.935
  655   HD13  LEU  71          HD13      LEU  71 -16.248  -9.179   5.299
  656   HD21  LEU  71          HD21      LEU  71 -17.873  -6.545   5.840
  657   HD22  LEU  71          HD22      LEU  71 -17.000  -6.273   7.371
  658   HD23  LEU  71          HD23      LEU  71 -16.133  -6.892   5.964
  659    H    GLN  72           H        GLN  72 -20.386  -8.247  10.935
  660    HA   GLN  72           HA       GLN  72 -22.446  -8.549  11.718
  661    HB2  GLN  72           HB2      GLN  72 -22.309  -6.028  11.254
  662    HB3  GLN  72           HB3      GLN  72 -23.409  -6.319   9.901
  663    HG2  GLN  72           HG2      GLN  72 -25.092  -7.251  11.502
  664    HG3  GLN  72           HG3      GLN  72 -23.942  -7.044  12.823
  665   HE21  GLN  72          HE21      GLN  72 -26.143  -4.138  13.144
  666   HE22  GLN  72          HE22      GLN  72 -26.164  -5.865  13.466
  667    H    LEU  73           H        LEU  73 -21.742 -10.309   9.671
  668    HA   LEU  73           HA       LEU  73 -24.192 -10.787   8.025
  669    HB2  LEU  73           HB2      LEU  73 -21.462 -12.113   7.924
  670    HB3  LEU  73           HB3      LEU  73 -22.795 -12.379   6.795
  671    HG   LEU  73           HG       LEU  73 -21.236  -9.803   7.185
  672   HD11  LEU  73          HD11      LEU  73 -20.356 -10.264   4.947
  673   HD12  LEU  73          HD12      LEU  73 -19.986 -11.605   6.041
  674   HD13  LEU  73          HD13      LEU  73 -21.315 -11.758   4.870
  675   HD21  LEU  73          HD21      LEU  73 -23.527  -9.255   6.492
  676   HD22  LEU  73          HD22      LEU  73 -22.384  -8.997   5.175
  677   HD23  LEU  73          HD23      LEU  73 -23.423 -10.445   5.166
  678    H    ASN  74           H        ASN  74 -25.591 -11.490   9.637
  679    HA   ASN  74           HA       ASN  74 -25.120 -13.771  11.341
  680    HB2  ASN  74           HB2      ASN  74 -26.868 -11.912  11.567
  681    HB3  ASN  74           HB3      ASN  74 -27.768 -12.678  10.256
  682   HD21  ASN  74          HD21      ASN  74 -29.424 -14.005  13.187
  683   HD22  ASN  74          HD22      ASN  74 -29.424 -12.607  12.121
  684    H    ALA  75           H        ALA  75 -26.449 -15.857  11.091
  685    HA   ALA  75           HA       ALA  75 -25.552 -17.315   8.857
  686    HB1  ALA  75           HB1      ALA  75 -26.106 -18.259  11.062
  687    HB2  ALA  75           HB2      ALA  75 -27.834 -17.938  10.786
  688    HB3  ALA  75           HB3      ALA  75 -26.969 -19.114   9.773
  689    H    ASN  76           H        ASN  76 -28.546 -15.497   9.142
  690    HA   ASN  76           HA       ASN  76 -30.030 -16.476   6.937
  691    HB2  ASN  76           HB2      ASN  76 -31.023 -14.946   8.484
  692    HB3  ASN  76           HB3      ASN  76 -29.728 -13.768   8.294
  693   HD21  ASN  76          HD21      ASN  76 -32.870 -13.603   5.752
  694   HD22  ASN  76          HD22      ASN  76 -32.761 -14.891   6.946
  695    H    GLN  77           H        GLN  77 -27.179 -14.317   6.941
  696    HA   GLN  77           HA       GLN  77 -27.485 -13.655   4.090
  697    HB2  GLN  77           HB2      GLN  77 -25.317 -12.994   6.120
  698    HB3  GLN  77           HB3      GLN  77 -25.318 -12.448   4.446
  699    HG2  GLN  77           HG2      GLN  77 -27.478 -11.763   6.498
  700    HG3  GLN  77           HG3      GLN  77 -26.137 -10.727   6.030
  701   HE21  GLN  77          HE21      GLN  77 -29.392 -10.852   3.603
  702   HE22  GLN  77          HE22      GLN  77 -29.376 -11.781   5.094
  703    H    ALA  78           H        ALA  78 -26.841 -14.932   2.506
  704    HA   ALA  78           HA       ALA  78 -24.982 -17.146   2.803
  705    HB1  ALA  78           HB1      ALA  78 -26.808 -17.185   1.147
  706    HB2  ALA  78           HB2      ALA  78 -26.123 -15.764   0.330
  707    HB3  ALA  78           HB3      ALA  78 -25.231 -17.302   0.342
  708    H    PHE  79           H        PHE  79 -22.796 -17.056   2.720
  709    HA   PHE  79           HA       PHE  79 -21.356 -14.885   1.442
  710    HB2  PHE  79           HB2      PHE  79 -21.801 -13.596   3.265
  711    HB3  PHE  79           HB3      PHE  79 -21.734 -14.938   4.390
  712    HD1  PHE  79           HD1      PHE  79 -19.579 -15.871   5.199
  713    HD2  PHE  79           HD2      PHE  79 -19.765 -12.335   2.739
  714    HE1  PHE  79           HE1      PHE  79 -17.273 -15.260   5.886
  715    HE2  PHE  79           HE2      PHE  79 -17.508 -11.675   3.521
  716    HZ   PHE  79           HZ       PHE  79 -16.238 -13.171   5.026
  717    H    PHE  80           H        PHE  80 -19.304 -15.195   0.898
  718    HA   PHE  80           HA       PHE  80 -17.922 -17.651   1.864
  719    HB2  PHE  80           HB2      PHE  80 -18.364 -16.814  -1.020
  720    HB3  PHE  80           HB3      PHE  80 -17.267 -18.087  -0.505
  721    HD1  PHE  80           HD1      PHE  80 -20.822 -17.123  -0.838
  722    HD2  PHE  80           HD2      PHE  80 -18.068 -20.295   0.114
  723    HE1  PHE  80           HE1      PHE  80 -22.673 -18.775  -0.993
  724    HE2  PHE  80           HE2      PHE  80 -19.919 -21.949  -0.027
  725    HZ   PHE  80           HZ       PHE  80 -22.219 -21.191  -0.583
  726    H    LEU  81           H        LEU  81 -15.767 -17.487   2.201
  727    HA   LEU  81           HA       LEU  81 -14.341 -15.009   1.331
  728    HB2  LEU  81           HB2      LEU  81 -13.603 -17.217   3.310
  729    HB3  LEU  81           HB3      LEU  81 -12.436 -16.049   2.694
  730    HG   LEU  81           HG       LEU  81 -14.871 -15.414   4.394
  731   HD11  LEU  81          HD11      LEU  81 -12.750 -16.368   5.461
  732   HD12  LEU  81          HD12      LEU  81 -11.904 -14.922   4.900
  733   HD13  LEU  81          HD13      LEU  81 -13.243 -14.769   6.056
  734   HD21  LEU  81          HD21      LEU  81 -12.869 -13.561   3.013
  735   HD22  LEU  81          HD22      LEU  81 -14.653 -13.539   2.884
  736   HD23  LEU  81          HD23      LEU  81 -13.864 -13.064   4.386
  737    H    LEU  82           H        LEU  82 -13.548 -15.051  -0.541
  738    HA   LEU  82           HA       LEU  82 -12.884 -17.566  -1.943
  739    HB2  LEU  82           HB2      LEU  82 -13.199 -14.759  -3.067
  740    HB3  LEU  82           HB3      LEU  82 -13.159 -16.276  -3.946
  741    HG   LEU  82           HG       LEU  82 -15.396 -15.280  -2.123
  742   HD11  LEU  82          HD11      LEU  82 -15.197 -15.810  -5.118
  743   HD12  LEU  82          HD12      LEU  82 -16.690 -15.414  -4.258
  744   HD13  LEU  82          HD13      LEU  82 -15.372 -14.229  -4.313
  745   HD21  LEU  82          HD21      LEU  82 -16.604 -17.324  -2.889
  746   HD22  LEU  82          HD22      LEU  82 -15.096 -17.911  -3.627
  747   HD23  LEU  82          HD23      LEU  82 -15.234 -17.720  -1.861
  748    H    VAL  83           H        VAL  83 -10.897 -18.045  -1.065
  749    HA   VAL  83           HA       VAL  83  -8.754 -16.087  -0.868
  750    HB   VAL  83           HB       VAL  83  -8.405 -19.079  -0.763
  751   HG11  VAL  83          HG11      VAL  83  -6.485 -18.522   0.618
  752   HG12  VAL  83          HG12      VAL  83  -6.348 -17.658  -0.910
  753   HG13  VAL  83          HG13      VAL  83  -6.877 -16.783   0.545
  754   HG21  VAL  83          HG21      VAL  83 -10.137 -18.618   0.874
  755   HG22  VAL  83          HG22      VAL  83  -8.608 -18.838   1.729
  756   HG23  VAL  83          HG23      VAL  83  -9.260 -17.205   1.481
  757    H    ASN  84           H        ASN  84  -7.458 -15.410  -2.446
  758    HA   ASN  84           HA       ASN  84  -6.890 -14.983  -4.609
  759    HB2  ASN  84           HB2      ASN  84  -5.276 -16.764  -3.810
  760    HB3  ASN  84           HB3      ASN  84  -6.237 -17.955  -4.684
  761   HD21  ASN  84          HD21      ASN  84  -3.592 -17.267  -7.024
  762   HD22  ASN  84          HD22      ASN  84  -3.971 -18.224  -5.582
  763    H    GLY  85           H        GLY  85  -9.655 -15.303  -4.316
  764    HA2  GLY  85           HA2      GLY  85 -11.355 -14.977  -5.842
  765    HA3  GLY  85           HA3      GLY  85 -10.411 -15.741  -7.114
  766    H    HIS  86           H        HIS  86 -10.413 -18.064  -4.692
  767    HA   HIS  86           HA       HIS  86 -13.121 -19.133  -5.420
  768    HB2  HIS  86           HB2      HIS  86 -10.496 -20.666  -5.551
  769    HB3  HIS  86           HB3      HIS  86 -12.091 -21.387  -5.732
  770    HD1  HIS  86           HD1      HIS  86  -9.430 -20.005  -7.867
  771    HD2  HIS  86           HD2      HIS  86 -13.653 -19.947  -7.790
  772    HE1  HIS  86           HE1      HIS  86 -10.192 -19.281 -10.218
  773    HE2  HIS  86           HE2      HIS  86 -12.763 -19.239 -10.180
  774    H    SER  87           H        SER  87 -14.157 -20.538  -3.993
  775    HA   SER  87           HA       SER  87 -13.905 -19.669  -1.309
  776    HB2  SER  87           HB2      SER  87 -16.029 -20.354  -2.226
  777    HB3  SER  87           HB3      SER  87 -15.439 -22.017  -2.443
  778    HG   SER  87           HG       SER  87 -16.505 -22.041  -0.516
  779    H    MET  88           H        MET  88 -13.131 -20.452   0.541
  780    HA   MET  88           HA       MET  88 -12.060 -23.242   0.661
  781    HB2  MET  88           HB2      MET  88 -10.714 -20.784   1.836
  782    HB3  MET  88           HB3      MET  88 -10.263 -22.456   2.190
  783    HG2  MET  88           HG2      MET  88  -9.899 -22.802  -0.283
  784    HG3  MET  88           HG3      MET  88 -10.060 -21.051  -0.477
  785    HE1  MET  88           HE1      MET  88  -7.647 -21.139  -1.685
  786    HE2  MET  88           HE2      MET  88  -6.187 -21.802  -0.909
  787    HE3  MET  88           HE3      MET  88  -7.521 -22.886  -1.367
  788    H    VAL  89           H        VAL  89 -14.689 -21.990   1.465
  789    HA   VAL  89           HA       VAL  89 -14.752 -21.513   4.281
  790    HB   VAL  89           HB       VAL  89 -16.930 -22.399   2.346
  791   HG11  VAL  89          HG11      VAL  89 -18.572 -21.486   3.973
  792   HG12  VAL  89          HG12      VAL  89 -17.770 -22.933   4.574
  793   HG13  VAL  89          HG13      VAL  89 -17.277 -21.336   5.180
  794   HG21  VAL  89          HG21      VAL  89 -15.925 -20.188   1.833
  795   HG22  VAL  89          HG22      VAL  89 -17.584 -20.016   2.427
  796   HG23  VAL  89          HG23      VAL  89 -16.221 -19.664   3.503
  797    H    SER  90           H        SER  90 -14.928 -24.582   2.517
  798    HA   SER  90           HA       SER  90 -15.763 -26.181   4.796
  799    HB2  SER  90           HB2      SER  90 -15.314 -28.063   3.255
  800    HB3  SER  90           HB3      SER  90 -16.334 -26.809   2.530
  801    HG   SER  90           HG       SER  90 -14.641 -27.504   1.108
  802    H    VAL  91           H        VAL  91 -12.645 -24.884   4.007
  803    HA   VAL  91           HA       VAL  91 -11.220 -27.294   4.705
  804    HB   VAL  91           HB       VAL  91 -10.563 -25.538   2.942
  805   HG11  VAL  91          HG11      VAL  91  -8.809 -23.995   3.586
  806   HG12  VAL  91          HG12      VAL  91 -10.269 -23.628   4.524
  807   HG13  VAL  91          HG13      VAL  91  -8.918 -24.483   5.288
  808   HG21  VAL  91          HG21      VAL  91  -9.380 -27.642   3.342
  809   HG22  VAL  91          HG22      VAL  91  -8.247 -26.325   3.025
  810   HG23  VAL  91          HG23      VAL  91  -8.477 -26.908   4.683
  811    H    SER  92           H        SER  92 -10.136 -27.967   6.443
  812    HA   SER  92           HA       SER  92 -10.512 -26.515   8.967
  813    HB2  SER  92           HB2      SER  92  -9.285 -29.225   8.345
  814    HB3  SER  92           HB3      SER  92  -9.595 -28.584   9.970
  815    HG   SER  92           HG       SER  92 -11.309 -29.937   9.217
  816    H    THR  93           H        THR  93  -8.006 -26.441   6.689
  817    HA   THR  93           HA       THR  93  -5.788 -26.707   8.385
  818    HB   THR  93           HB       THR  93  -5.897 -27.012   5.875
  819    HG1  THR  93           HG1      THR  93  -3.718 -26.934   5.874
  820   HG21  THR  93          HG21      THR  93  -4.985 -25.249   4.500
  821   HG22  THR  93          HG22      THR  93  -6.426 -24.598   5.298
  822   HG23  THR  93          HG23      THR  93  -4.809 -24.160   5.888
  823    HA   PRO  94           HA       PRO  94  -5.175 -22.799  10.366
  824    HB2  PRO  94           HB2      PRO  94  -2.218 -23.275  10.041
  825    HB3  PRO  94           HB3      PRO  94  -3.146 -22.843  11.512
  826    HG2  PRO  94           HG2      PRO  94  -2.315 -25.388  11.149
  827    HG3  PRO  94           HG3      PRO  94  -3.981 -25.073  11.735
  828    HD2  PRO  94           HD2      PRO  94  -3.072 -25.639   8.897
  829    HD3  PRO  94           HD3      PRO  94  -4.387 -26.409   9.833
  830    H    ILE  95           H        ILE  95  -4.731 -20.638   9.943
  831    HA   ILE  95           HA       ILE  95  -4.770 -19.797   7.286
  832    HB   ILE  95           HB       ILE  95  -5.692 -18.581   9.219
  833   HG12  ILE  95          HG12      ILE  95  -5.132 -16.281   8.622
  834   HG13  ILE  95          HG13      ILE  95  -3.718 -16.808   7.706
  835   HG21  ILE  95          HG21      ILE  95  -2.834 -17.716   9.875
  836   HG22  ILE  95          HG22      ILE  95  -4.318 -17.212  10.689
  837   HG23  ILE  95          HG23      ILE  95  -3.788 -18.879  10.826
  838   HD11  ILE  95          HD11      ILE  95  -6.582 -17.656   7.059
  839   HD12  ILE  95          HD12      ILE  95  -5.763 -16.259   6.340
  840   HD13  ILE  95          HD13      ILE  95  -5.135 -17.889   6.051
  841    H    SER  96           H        SER  96  -1.897 -20.271   9.293
  842    HA   SER  96           HA       SER  96   0.001 -18.905   7.626
  843    HB2  SER  96           HB2      SER  96   0.487 -19.664   9.883
  844    HB3  SER  96           HB3      SER  96   0.357 -21.361   9.379
  845    HG   SER  96           HG       SER  96   2.546 -20.664   9.388
  846    H    GLU  97           H        GLU  97  -1.310 -22.264   7.412
  847    HA   GLU  97           HA       GLU  97   0.409 -23.022   5.201
  848    HB2  GLU  97           HB2      GLU  97  -0.612 -24.694   6.693
  849    HB3  GLU  97           HB3      GLU  97  -2.219 -24.166   6.213
  850    HG2  GLU  97           HG2      GLU  97  -1.722 -26.215   5.095
  851    HG3  GLU  97           HG3      GLU  97  -1.838 -24.932   3.903
  852    H    VAL  98           H        VAL  98  -2.862 -21.622   5.431
  853    HA   VAL  98           HA       VAL  98  -3.376 -21.533   2.603
  854    HB   VAL  98           HB       VAL  98  -4.396 -19.521   4.616
  855   HG11  VAL  98          HG11      VAL  98  -6.328 -19.408   3.092
  856   HG12  VAL  98          HG12      VAL  98  -4.829 -19.004   2.237
  857   HG13  VAL  98          HG13      VAL  98  -5.561 -20.604   2.023
  858   HG21  VAL  98          HG21      VAL  98  -5.544 -22.262   3.955
  859   HG22  VAL  98          HG22      VAL  98  -4.938 -21.728   5.539
  860   HG23  VAL  98          HG23      VAL  98  -6.382 -20.990   4.871
  861    H    TYR  99           H        TYR  99  -1.784 -19.194   4.777
  862    HA   TYR  99           HA       TYR  99  -1.135 -17.282   2.792
  863    HB2  TYR  99           HB2      TYR  99  -1.086 -16.440   4.860
  864    HB3  TYR  99           HB3      TYR  99  -0.270 -17.820   5.561
  865    HD1  TYR  99           HD1      TYR  99   0.248 -14.616   3.777
  866    HD2  TYR  99           HD2      TYR  99   2.126 -18.038   5.625
  867    HE1  TYR  99           HE1      TYR  99   2.395 -13.372   3.917
  868    HE2  TYR  99           HE2      TYR  99   4.272 -16.782   5.768
  869    HH   TYR  99           HH       TYR  99   4.654 -13.489   4.426
  870    H    GLU 100           H        GLU 100   0.856 -20.070   3.772
  871    HA   GLU 100           HA       GLU 100   2.937 -19.429   1.858
  872    HB2  GLU 100           HB2      GLU 100   2.180 -21.984   3.319
  873    HB3  GLU 100           HB3      GLU 100   3.565 -21.883   2.237
  874    HG2  GLU 100           HG2      GLU 100   3.181 -20.150   4.714
  875    HG3  GLU 100           HG3      GLU 100   4.127 -21.632   4.655
  876    H    SER 101           H        SER 101   0.077 -21.591   1.634
  877    HA   SER 101           HA       SER 101   0.815 -22.589  -0.972
  878    HB2  SER 101           HB2      SER 101  -1.418 -23.617  -1.000
  879    HB3  SER 101           HB3      SER 101  -0.503 -23.966   0.476
  880    HG   SER 101           HG       SER 101  -1.741 -22.610   1.613
  881    H    GLU 102           H        GLU 102  -1.166 -19.814  -0.020
  882    HA   GLU 102           HA       GLU 102  -1.520 -19.130  -2.912
  883    HB2  GLU 102           HB2      GLU 102  -3.260 -18.387  -0.545
  884    HB3  GLU 102           HB3      GLU 102  -3.488 -17.781  -2.176
  885    HG2  GLU 102           HG2      GLU 102  -3.683 -20.703  -1.333
  886    HG3  GLU 102           HG3      GLU 102  -5.032 -19.616  -1.613
  887    H    LYS 103           H        LYS 103   0.857 -18.653  -1.403
  888    HA   LYS 103           HA       LYS 103   1.219 -15.908  -0.785
  889    HB2  LYS 103           HB2      LYS 103   2.686 -17.836  -0.181
  890    HB3  LYS 103           HB3      LYS 103   3.224 -17.940  -1.853
  891    HG2  LYS 103           HG2      LYS 103   4.386 -15.843  -1.698
  892    HG3  LYS 103           HG3      LYS 103   3.514 -15.386  -0.227
  893    HD2  LYS 103           HD2      LYS 103   5.776 -16.037   0.359
  894    HD3  LYS 103           HD3      LYS 103   4.606 -17.180   1.037
  895    HE2  LYS 103           HE2      LYS 103   5.076 -18.723  -0.928
  896    HE3  LYS 103           HE3      LYS 103   6.340 -17.597  -1.447
  897    HZ1  LYS 103           HZ1      LYS 103   7.265 -19.395  -0.103
  898    HZ2  LYS 103           HZ2      LYS 103   7.434 -17.998   0.731
  899    HZ3  LYS 103           HZ3      LYS 103   6.260 -19.074   1.150
  900    H    ASP 104           H        ASP 104   1.889 -14.175  -1.927
  901    HA   ASP 104           HA       ASP 104   2.473 -14.302  -4.830
  902    HB2  ASP 104           HB2      ASP 104  -0.029 -14.049  -4.511
  903    HB3  ASP 104           HB3      ASP 104   0.279 -12.542  -3.647
  904    H    GLU 105           H        GLU 105   3.134 -12.074  -5.627
  905    HA   GLU 105           HA       GLU 105   5.411 -11.211  -4.169
  906    HB2  GLU 105           HB2      GLU 105   3.918  -9.847  -6.447
  907    HB3  GLU 105           HB3      GLU 105   5.538  -9.417  -5.927
  908    HG2  GLU 105           HG2      GLU 105   4.713 -12.120  -7.082
  909    HG3  GLU 105           HG3      GLU 105   5.505 -10.821  -7.960
  910    H    ASP 106           H        ASP 106   2.152  -9.939  -4.015
  911    HA   ASP 106           HA       ASP 106   2.721  -7.449  -2.737
  912    HB2  ASP 106           HB2      ASP 106   0.281  -9.232  -2.781
  913    HB3  ASP 106           HB3      ASP 106   0.336  -7.771  -1.816
  914    H    GLY 107           H        GLY 107   3.212 -10.564  -1.480
  915    HA2  GLY 107           HA2      GLY 107   3.886 -11.324   0.587
  916    HA3  GLY 107           HA3      GLY 107   3.826  -9.679   1.223
  917    H    PHE 108           H        PHE 108   1.125  -9.048   0.743
  918    HA   PHE 108           HA       PHE 108  -0.363 -10.361   2.774
  919    HB2  PHE 108           HB2      PHE 108  -1.098  -8.479   0.544
  920    HB3  PHE 108           HB3      PHE 108  -2.328  -9.264   1.494
  921    HD1  PHE 108           HD1      PHE 108   0.126  -6.564   1.469
  922    HD2  PHE 108           HD2      PHE 108  -2.540  -8.874   3.940
  923    HE1  PHE 108           HE1      PHE 108   0.176  -4.783   3.201
  924    HE2  PHE 108           HE2      PHE 108  -2.451  -7.116   5.692
  925    HZ   PHE 108           HZ       PHE 108  -1.083  -5.068   5.325
  926    H    LEU 109           H        LEU 109  -1.795 -11.999   2.926
  927    HA   LEU 109           HA       LEU 109  -2.289 -13.753   0.621
  928    HB2  LEU 109           HB2      LEU 109  -1.997 -14.756   2.798
  929    HB3  LEU 109           HB3      LEU 109  -3.228 -13.710   3.506
  930    HG   LEU 109           HG       LEU 109  -4.990 -14.828   2.158
  931   HD11  LEU 109          HD11      LEU 109  -3.704 -15.615   0.225
  932   HD12  LEU 109          HD12      LEU 109  -2.700 -16.637   1.272
  933   HD13  LEU 109          HD13      LEU 109  -4.422 -16.997   1.058
  934   HD21  LEU 109          HD21      LEU 109  -3.269 -16.752   3.767
  935   HD22  LEU 109          HD22      LEU 109  -4.429 -15.595   4.439
  936   HD23  LEU 109          HD23      LEU 109  -5.000 -16.921   3.415
  937    H    TYR 110           H        TYR 110  -3.837 -13.289  -0.890
  938    HA   TYR 110           HA       TYR 110  -5.899 -11.338  -0.280
  939    HB2  TYR 110           HB2      TYR 110  -5.033 -12.641  -2.816
  940    HB3  TYR 110           HB3      TYR 110  -6.590 -11.842  -2.720
  941    HD1  TYR 110           HD1      TYR 110  -3.019 -11.308  -3.025
  942    HD2  TYR 110           HD2      TYR 110  -6.788  -9.430  -2.049
  943    HE1  TYR 110           HE1      TYR 110  -2.038  -9.078  -3.508
  944    HE2  TYR 110           HE2      TYR 110  -5.788  -7.199  -2.505
  945    HH   TYR 110           HH       TYR 110  -2.383  -6.840  -3.583
  946    H    MET 111           H        MET 111  -7.879 -11.533   0.427
  947    HA   MET 111           HA       MET 111  -9.444 -13.930  -0.441
  948    HB2  MET 111           HB2      MET 111  -9.795 -12.482   2.216
  949    HB3  MET 111           HB3      MET 111 -10.678 -13.888   1.608
  950    HG2  MET 111           HG2      MET 111  -8.402 -15.094   1.550
  951    HG3  MET 111           HG3      MET 111  -7.780 -13.735   2.489
  952    HE1  MET 111           HE1      MET 111  -7.655 -16.852   3.371
  953    HE2  MET 111           HE2      MET 111  -6.921 -15.468   4.217
  954    HE3  MET 111           HE3      MET 111  -7.948 -16.606   5.108
  955    H    VAL 112           H        VAL 112 -10.911 -13.310  -1.880
  956    HA   VAL 112           HA       VAL 112 -12.102 -10.566  -1.733
  957    HB   VAL 112           HB       VAL 112 -12.321 -12.773  -3.810
  958   HG11  VAL 112          HG11      VAL 112 -14.469 -11.610  -3.778
  959   HG12  VAL 112          HG12      VAL 112 -13.639 -10.031  -3.770
  960   HG13  VAL 112          HG13      VAL 112 -13.545 -11.087  -5.190
  961   HG21  VAL 112          HG21      VAL 112 -11.069  -9.992  -3.912
  962   HG22  VAL 112          HG22      VAL 112 -10.182 -11.535  -3.850
  963   HG23  VAL 112          HG23      VAL 112 -11.167 -11.140  -5.265
  964    H    TYR 113           H        TYR 113 -14.494 -10.404  -1.301
  965    HA   TYR 113           HA       TYR 113 -15.679 -13.020  -0.393
  966    HB2  TYR 113           HB2      TYR 113 -16.577 -12.153   1.517
  967    HB3  TYR 113           HB3      TYR 113 -14.933 -11.569   1.530
  968    HD1  TYR 113           HD1      TYR 113 -18.496 -10.622   1.155
  969    HD2  TYR 113           HD2      TYR 113 -14.459  -9.186   1.530
  970    HE1  TYR 113           HE1      TYR 113 -19.363  -8.377   1.810
  971    HE2  TYR 113           HE2      TYR 113 -15.330  -6.941   2.210
  972    HH   TYR 113           HH       TYR 113 -18.780  -6.304   2.740
  973    H    ALA 114           H        ALA 114 -17.756 -13.366  -0.742
  974    HA   ALA 114           HA       ALA 114 -19.461 -11.487  -2.272
  975    HB1  ALA 114           HB1      ALA 114 -17.844 -12.445  -3.943
  976    HB2  ALA 114           HB2      ALA 114 -18.389 -14.072  -3.492
  977    HB3  ALA 114           HB3      ALA 114 -19.514 -12.933  -4.261
  978    H    SER 115           H        SER 115 -21.556 -12.522  -2.858
  979    HA   SER 115           HA       SER 115 -22.679 -14.237  -0.792
  980    HB2  SER 115           HB2      SER 115 -24.727 -13.988  -2.185
  981    HB3  SER 115           HB3      SER 115 -23.962 -12.431  -1.799
  982    HG   SER 115           HG       SER 115 -24.531 -12.621  -4.038
  983    H    GLN 116           H        GLN 116 -20.907 -14.944  -3.611
  984    HA   GLN 116           HA       GLN 116 -22.106 -17.670  -3.958
  985    HB2  GLN 116           HB2      GLN 116 -20.628 -15.943  -5.971
  986    HB3  GLN 116           HB3      GLN 116 -21.310 -17.530  -6.280
  987    HG2  GLN 116           HG2      GLN 116 -23.323 -16.667  -6.792
  988    HG3  GLN 116           HG3      GLN 116 -23.413 -15.733  -5.311
  989   HE21  GLN 116          HE21      GLN 116 -22.166 -12.720  -6.859
  990   HE22  GLN 116          HE22      GLN 116 -22.659 -13.468  -5.339
  991    H    GLU 117           H        GLU 117 -20.646 -19.410  -4.323
  992    HA   GLU 117           HA       GLU 117 -18.142 -19.320  -2.933
  993    HB2  GLU 117           HB2      GLU 117 -17.951 -21.613  -3.504
  994    HB3  GLU 117           HB3      GLU 117 -19.622 -21.304  -3.065
  995    HG2  GLU 117           HG2      GLU 117 -18.570 -21.565  -5.929
  996    HG3  GLU 117           HG3      GLU 117 -19.227 -22.884  -4.985
  997    H    THR 118           H        THR 118 -18.785 -18.316  -6.103
  998    HA   THR 118           HA       THR 118 -15.975 -18.082  -6.796
  999    HB   THR 118           HB       THR 118 -16.466 -20.428  -7.460
 1000    HG1  THR 118           HG1      THR 118 -15.584 -20.146  -9.527
 1001   HG21  THR 118          HG21      THR 118 -18.859 -20.121  -8.214
 1002   HG22  THR 118          HG22      THR 118 -18.260 -19.196  -9.609
 1003   HG23  THR 118          HG23      THR 118 -17.823 -20.906  -9.415
 1004    H    PHE 119           H        PHE 119 -15.617 -16.960  -8.811
 1005    HA   PHE 119           HA       PHE 119 -17.940 -15.587  -9.971
 1006    HB2  PHE 119           HB2      PHE 119 -16.661 -13.475 -10.322
 1007    HB3  PHE 119           HB3      PHE 119 -17.293 -13.831  -8.733
 1008    HD1  PHE 119           HD1      PHE 119 -15.883 -13.935  -6.802
 1009    HD2  PHE 119           HD2      PHE 119 -14.165 -13.777 -10.751
 1010    HE1  PHE 119           HE1      PHE 119 -13.644 -13.458  -5.822
 1011    HE2  PHE 119           HE2      PHE 119 -11.944 -13.284  -9.773
 1012    HZ   PHE 119           HZ       PHE 119 -11.679 -13.097  -7.309
 1013    H    GLY 120           H        GLY 120 -16.217 -17.882 -10.637
 1014    HA2  GLY 120           HA2      GLY 120 -15.872 -18.946 -12.742
 1015    HA3  GLY 120           HA3      GLY 120 -15.842 -17.378 -13.545
 1016    H1   ASP  10           H1       ASP  10 -11.544   2.526  17.632
 1017    H2   ASP  10           H2       ASP  10 -11.714   3.944  16.824
 1018    H3   ASP  10           H3       ASP  10 -12.002   2.521  16.057
 1019    HA   ASP  10           HA       ASP  10  -9.888   3.457  15.405
 1020    HB2  ASP  10           HB2      ASP  10  -7.979   3.393  17.066
 1021    HB3  ASP  10           HB3      ASP  10  -9.144   4.693  17.180
 1022    H    TYR  11           H        TYR  11  -7.837   2.217  15.078
 1023    HA   TYR  11           HA       TYR  11  -6.933   0.391  14.218
 1024    HB2  TYR  11           HB2      TYR  11  -7.609  -0.594  16.959
 1025    HB3  TYR  11           HB3      TYR  11  -6.652  -1.542  15.853
 1026    HD1  TYR  11           HD1      TYR  11  -4.547  -0.427  14.718
 1027    HD2  TYR  11           HD2      TYR  11  -6.528   1.041  18.275
 1028    HE1  TYR  11           HE1      TYR  11  -2.526   0.910  15.318
 1029    HE2  TYR  11           HE2      TYR  11  -4.484   2.325  18.883
 1030    HH   TYR  11           HH       TYR  11  -1.542   2.333  16.834
 1031    H    GLU  12           H        GLU  12  -7.664  -2.468  14.764
 1032    HA   GLU  12           HA       GLU  12  -8.586  -4.161  13.703
 1033    HB2  GLU  12           HB2      GLU  12 -10.401  -3.420  15.122
 1034    HB3  GLU  12           HB3      GLU  12 -11.063  -2.452  13.807
 1035    HG2  GLU  12           HG2      GLU  12 -12.391  -4.394  14.066
 1036    HG3  GLU  12           HG3      GLU  12 -11.546  -4.544  12.538
 1037    H    SER  13           H        SER  13  -8.408  -1.399  11.741
 1038    HA   SER  13           HA       SER  13  -7.544  -3.115   9.543
 1039    HB2  SER  13           HB2      SER  13 -10.218  -1.807   9.393
 1040    HB3  SER  13           HB3      SER  13  -9.207  -1.655   7.950
 1041    HG   SER  13           HG       SER  13  -9.647  -4.123   9.276
 1042    H    ASP  14           H        ASP  14  -6.115  -1.312  11.164
 1043    HA   ASP  14           HA       ASP  14  -5.924   1.299   9.839
 1044    HB2  ASP  14           HB2      ASP  14  -5.740   0.872  12.310
 1045    HB3  ASP  14           HB3      ASP  14  -4.202   0.070  12.011
 1046    H    ASP  15           H        ASP  15  -3.483   2.051   9.513
 1047    HA   ASP  15           HA       ASP  15  -2.197   0.208   7.535
 1048    HB2  ASP  15           HB2      ASP  15  -2.825   3.158   7.178
 1049    HB3  ASP  15           HB3      ASP  15  -2.025   2.094   6.005
 1050    H    ASP  16           H        ASP  16  -0.060   0.373   7.126
 1051    HA   ASP  16           HA       ASP  16   2.070   0.417   7.756
 1052    HB2  ASP  16           HB2      ASP  16   3.146   2.711   7.781
 1053    HB3  ASP  16           HB3      ASP  16   2.375   2.061   6.358
 1054    H    SER  17           H        SER  17   2.200  -0.774   9.548
 1055    HA   SER  17           HA       SER  17   2.855  -1.402  11.599
 1056    HB2  SER  17           HB2      SER  17   4.774   0.046  11.183
 1057    HB3  SER  17           HB3      SER  17   3.940   1.384  12.003
 1058    HG   SER  17           HG       SER  17   5.301   0.231  13.453
 1059    H    TYR  18           H        TYR  18   1.168  -2.009  12.756
 1060    HA   TYR  18           HA       TYR  18  -0.209  -0.271  14.647
 1061    HB2  TYR  18           HB2      TYR  18  -2.450  -0.564  13.480
 1062    HB3  TYR  18           HB3      TYR  18  -1.313   0.497  12.696
 1063    HD1  TYR  18           HD1      TYR  18  -0.340  -0.012  10.557
 1064    HD2  TYR  18           HD2      TYR  18  -2.875  -2.818  12.551
 1065    HE1  TYR  18           HE1      TYR  18  -0.288  -1.485   8.536
 1066    HE2  TYR  18           HE2      TYR  18  -2.940  -4.248  10.466
 1067    HH   TYR  18           HH       TYR  18  -0.827  -3.510   7.680
 1068    H    GLU  19           H        GLU  19  -2.582  -1.661  15.032
 1069    HA   GLU  19           HA       GLU  19  -1.928  -4.497  15.554
 1070    HB2  GLU  19           HB2      GLU  19  -1.598  -3.290  17.668
 1071    HB3  GLU  19           HB3      GLU  19  -3.145  -2.473  17.463
 1072    HG2  GLU  19           HG2      GLU  19  -3.431  -4.130  19.121
 1073    HG3  GLU  19           HG3      GLU  19  -4.337  -4.652  17.707
 1074    H    VAL  20           H        VAL  20  -3.639  -5.884  15.037
 1075    HA   VAL  20           HA       VAL  20  -6.351  -4.860  14.384
 1076    HB   VAL  20           HB       VAL  20  -4.284  -5.740  12.348
 1077   HG11  VAL  20          HG11      VAL  20  -5.983  -6.133  10.641
 1078   HG12  VAL  20          HG12      VAL  20  -6.087  -7.350  11.919
 1079   HG13  VAL  20          HG13      VAL  20  -7.274  -6.024  11.848
 1080   HG21  VAL  20          HG21      VAL  20  -5.324  -3.954  10.984
 1081   HG22  VAL  20          HG22      VAL  20  -6.542  -3.716  12.253
 1082   HG23  VAL  20          HG23      VAL  20  -4.883  -3.309  12.569
 1083    H    LEU  21           H        LEU  21  -7.816  -6.660  13.952
 1084    HA   LEU  21           HA       LEU  21  -8.811  -8.550  14.353
 1085    HB2  LEU  21           HB2      LEU  21  -6.756  -9.730  13.373
 1086    HB3  LEU  21           HB3      LEU  21  -6.269 -10.011  15.038
 1087    HG   LEU  21           HG       LEU  21  -8.751 -10.949  15.311
 1088   HD11  LEU  21          HD11      LEU  21  -9.554 -12.087  13.247
 1089   HD12  LEU  21          HD12      LEU  21  -9.558 -10.331  13.050
 1090   HD13  LEU  21          HD13      LEU  21  -8.280 -11.302  12.302
 1091   HD21  LEU  21          HD21      LEU  21  -6.722 -12.314  15.557
 1092   HD22  LEU  21          HD22      LEU  21  -8.004 -13.202  14.701
 1093   HD23  LEU  21          HD23      LEU  21  -6.648 -12.500  13.785
 1094    H    ASP  22           H        ASP  22  -9.335  -6.908  15.850
 1095    HA   ASP  22           HA       ASP  22  -8.520  -6.556  18.412
 1096    HB2  ASP  22           HB2      ASP  22  -9.800  -4.885  17.638
 1097    HB3  ASP  22           HB3      ASP  22 -10.946  -5.933  16.868
 1098    H    LEU  23           H        LEU  23 -10.134  -9.489  17.644
 1099    HA   LEU  23           HA       LEU  23 -10.980 -10.061  20.368
 1100    HB2  LEU  23           HB2      LEU  23 -11.250 -12.343  19.673
 1101    HB3  LEU  23           HB3      LEU  23 -12.031 -11.224  18.579
 1102    HG   LEU  23           HG       LEU  23 -10.354 -11.639  16.859
 1103   HD11  LEU  23          HD11      LEU  23  -9.035 -13.524  18.859
 1104   HD12  LEU  23          HD12      LEU  23  -8.777 -13.624  17.116
 1105   HD13  LEU  23          HD13      LEU  23  -8.276 -12.170  17.963
 1106   HD21  LEU  23          HD21      LEU  23 -11.342 -14.253  18.079
 1107   HD22  LEU  23          HD22      LEU  23 -12.352 -13.133  17.139
 1108   HD23  LEU  23          HD23      LEU  23 -10.978 -13.950  16.368
 1109    H    THR  24           H        THR  24  -7.881  -9.778  19.047
 1110    HA   THR  24           HA       THR  24  -5.845 -10.174  19.672
 1111    HB   THR  24           HB       THR  24  -6.466 -10.719  22.524
 1112    HG1  THR  24           HG1      THR  24  -6.857  -8.557  22.856
 1113   HG21  THR  24          HG21      THR  24  -4.562  -9.168  22.865
 1114   HG22  THR  24          HG22      THR  24  -4.103 -10.539  21.853
 1115   HG23  THR  24          HG23      THR  24  -4.418  -8.962  21.100
 1116    H    GLU  25           H        GLU  25  -7.711 -12.826  20.996
 1117    HA   GLU  25           HA       GLU  25  -7.401 -15.012  21.273
 1118    HB2  GLU  25           HB2      GLU  25  -6.945 -15.150  18.908
 1119    HB3  GLU  25           HB3      GLU  25  -5.260 -14.716  19.164
 1120    HG2  GLU  25           HG2      GLU  25  -5.390 -17.041  18.693
 1121    HG3  GLU  25           HG3      GLU  25  -4.820 -16.812  20.338
 1122    H    TYR  26           H        TYR  26  -4.283 -13.350  21.447
 1123    HA   TYR  26           HA       TYR  26  -3.069 -15.136  23.305
 1124    HB2  TYR  26           HB2      TYR  26  -2.346 -12.417  22.291
 1125    HB3  TYR  26           HB3      TYR  26  -1.485 -13.138  23.640
 1126    HD1  TYR  26           HD1      TYR  26   0.202 -14.766  23.337
 1127    HD2  TYR  26           HD2      TYR  26  -2.430 -13.772  20.062
 1128    HE1  TYR  26           HE1      TYR  26   1.640 -16.078  21.793
 1129    HE2  TYR  26           HE2      TYR  26  -0.984 -15.112  18.513
 1130    HH   TYR  26           HH       TYR  26   1.892 -16.896  19.653
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1 -10.378   5.754   7.699
    2    H2   MET   1           H2       MET   1  -8.978   5.310   8.425
    3    H3   MET   1           H3       MET   1  -8.967   6.305   7.124
    4    HA   MET   1           HA       MET   1  -9.770   4.690   5.657
    5    HB2  MET   1           HB2      MET   1  -7.962   3.072   5.449
    6    HB3  MET   1           HB3      MET   1  -7.516   4.760   5.523
    7    HG2  MET   1           HG2      MET   1  -6.817   4.395   7.944
    8    HG3  MET   1           HG3      MET   1  -7.037   2.657   7.638
    9    HE1  MET   1           HE1      MET   1  -4.555   2.179   8.368
   10    HE2  MET   1           HE2      MET   1  -3.141   3.014   7.679
   11    HE3  MET   1           HE3      MET   1  -4.295   3.912   8.692
   12    HA   PRO   2           HA       PRO   2 -11.281   0.646   7.602
   13    HB2  PRO   2           HB2      PRO   2 -11.805   0.536  10.305
   14    HB3  PRO   2           HB3      PRO   2 -10.304  -0.033   9.538
   15    HG2  PRO   2           HG2      PRO   2 -10.843   2.668  10.824
   16    HG3  PRO   2           HG3      PRO   2  -9.482   1.556  11.157
   17    HD2  PRO   2           HD2      PRO   2  -9.154   3.602   9.468
   18    HD3  PRO   2           HD3      PRO   2  -8.505   1.999   9.029
   19    H    SER   3           H        SER   3 -13.045   1.331   6.473
   20    HA   SER   3           HA       SER   3 -15.402   2.475   7.799
   21    HB2  SER   3           HB2      SER   3 -15.446   4.511   6.476
   22    HB3  SER   3           HB3      SER   3 -13.915   4.461   7.337
   23    HG   SER   3           HG       SER   3 -12.930   3.676   5.399
   24    H    GLU   4           H        GLU   4 -16.971   3.180   5.778
   25    HA   GLU   4           HA       GLU   4 -17.546   0.821   4.243
   26    HB2  GLU   4           HB2      GLU   4 -19.224   2.427   5.012
   27    HB3  GLU   4           HB3      GLU   4 -18.522   3.691   3.987
   28    HG2  GLU   4           HG2      GLU   4 -19.124   2.433   1.969
   29    HG3  GLU   4           HG3      GLU   4 -19.720   1.091   2.954
   30    H    LYS   5           H        LYS   5 -15.554   3.645   3.555
   31    HA   LYS   5           HA       LYS   5 -15.364   3.104   0.660
   32    HB2  LYS   5           HB2      LYS   5 -15.384   5.396   1.557
   33    HB3  LYS   5           HB3      LYS   5 -13.857   5.104   2.392
   34    HG2  LYS   5           HG2      LYS   5 -12.654   4.867   0.331
   35    HG3  LYS   5           HG3      LYS   5 -14.138   4.744  -0.618
   36    HD2  LYS   5           HD2      LYS   5 -13.252   7.262   0.858
   37    HD3  LYS   5           HD3      LYS   5 -12.921   6.914  -0.843
   38    HE2  LYS   5           HE2      LYS   5 -15.385   6.736  -1.277
   39    HE3  LYS   5           HE3      LYS   5 -15.699   7.191   0.406
   40    HZ1  LYS   5           HZ1      LYS   5 -14.294   8.898  -1.596
   41    HZ2  LYS   5           HZ2      LYS   5 -15.823   9.114  -1.072
   42    HZ3  LYS   5           HZ3      LYS   5 -14.580   9.326  -0.038
   43    H    THR   6           H        THR   6 -13.386   2.531  -0.413
   44    HA   THR   6           HA       THR   6 -11.996   0.396   0.965
   45    HB   THR   6           HB       THR   6 -11.169  -0.395  -0.958
   46    HG1  THR   6           HG1      THR   6 -10.841   0.925  -2.819
   47   HG21  THR   6          HG21      THR   6 -13.465   1.196  -2.182
   48   HG22  THR   6          HG22      THR   6 -12.803  -0.367  -2.711
   49   HG23  THR   6          HG23      THR   6 -13.684  -0.259  -1.182
   50    H    PHE   7           H        PHE   7  -9.575   0.081   0.836
   51    HA   PHE   7           HA       PHE   7  -8.329   2.281   2.173
   52    HB2  PHE   7           HB2      PHE   7  -7.390  -0.426   1.471
   53    HB3  PHE   7           HB3      PHE   7  -6.197   0.805   1.817
   54    HD1  PHE   7           HD1      PHE   7  -9.519  -0.262   3.312
   55    HD2  PHE   7           HD2      PHE   7  -5.440   0.949   3.982
   56    HE1  PHE   7           HE1      PHE   7  -9.815  -0.640   5.743
   57    HE2  PHE   7           HE2      PHE   7  -5.725   0.538   6.413
   58    HZ   PHE   7           HZ       PHE   7  -7.918  -0.271   7.293
   59    H    LYS   8           H        LYS   8  -8.750   2.094  -1.133
   60    HA   LYS   8           HA       LYS   8  -6.429   3.578  -2.007
   61    HB2  LYS   8           HB2      LYS   8  -9.320   3.560  -2.987
   62    HB3  LYS   8           HB3      LYS   8  -8.008   4.361  -3.837
   63    HG2  LYS   8           HG2      LYS   8  -8.211   1.372  -3.279
   64    HG3  LYS   8           HG3      LYS   8  -8.565   2.160  -4.802
   65    HD2  LYS   8           HD2      LYS   8  -5.844   1.951  -3.440
   66    HD3  LYS   8           HD3      LYS   8  -6.369   1.070  -4.857
   67    HE2  LYS   8           HE2      LYS   8  -5.982   4.102  -4.725
   68    HE3  LYS   8           HE3      LYS   8  -4.822   2.945  -5.376
   69    HZ1  LYS   8           HZ1      LYS   8  -6.476   2.323  -7.076
   70    HZ2  LYS   8           HZ2      LYS   8  -7.535   3.436  -6.507
   71    HZ3  LYS   8           HZ3      LYS   8  -6.123   3.911  -7.159
   72    H    GLN   9           H        GLN   9  -8.947   4.527   0.100
   73    HA   GLN   9           HA       GLN   9  -8.870   7.357  -0.093
   74    HB2  GLN   9           HB2      GLN   9 -10.489   5.947   1.197
   75    HB3  GLN   9           HB3      GLN   9  -9.191   5.511   2.309
   76    HG2  GLN   9           HG2      GLN   9  -8.995   8.056   2.817
   77    HG3  GLN   9           HG3      GLN   9 -10.535   8.210   1.963
   78   HE21  GLN   9          HE21      GLN   9 -12.366   6.590   4.643
   79   HE22  GLN   9          HE22      GLN   9 -12.453   7.169   2.993
   80    H    ARG  10           H        ARG  10  -6.509   5.085   1.328
   81    HA   ARG  10           HA       ARG  10  -4.611   7.344   1.797
   82    HB2  ARG  10           HB2      ARG  10  -5.301   5.279   3.933
   83    HB3  ARG  10           HB3      ARG  10  -3.905   6.355   3.974
   84    HG2  ARG  10           HG2      ARG  10  -5.635   8.302   3.725
   85    HG3  ARG  10           HG3      ARG  10  -6.840   7.080   4.162
   86    HD2  ARG  10           HD2      ARG  10  -6.216   8.243   6.168
   87    HD3  ARG  10           HD3      ARG  10  -5.487   6.622   6.260
   88    HE   ARG  10           HE       ARG  10  -3.663   8.534   5.074
   89   HH11  ARG  10          HH11      ARG  10  -1.816   9.185   7.888
   90   HH12  ARG  10          HH12      ARG  10  -1.884   9.273   6.154
   91   HH21  ARG  10          HH21      ARG  10  -4.895   7.721   8.254
   92   HH22  ARG  10          HH22      ARG  10  -3.475   8.328   9.053
   93    H    ARG  11           H        ARG  11  -4.819   3.735   1.749
   94    HA   ARG  11           HA       ARG  11  -1.879   3.630   1.463
   95    HB2  ARG  11           HB2      ARG  11  -4.031   1.539   1.935
   96    HB3  ARG  11           HB3      ARG  11  -2.379   1.082   1.583
   97    HG2  ARG  11           HG2      ARG  11  -3.214   2.792   3.972
   98    HG3  ARG  11           HG3      ARG  11  -2.867   1.060   3.997
   99    HD2  ARG  11           HD2      ARG  11  -0.584   1.644   2.995
  100    HD3  ARG  11           HD3      ARG  11  -0.914   3.320   3.458
  101    HE   ARG  11           HE       ARG  11  -0.429   0.957   5.222
  102   HH11  ARG  11          HH11      ARG  11   0.735   1.284   6.947
  103   HH12  ARG  11          HH12      ARG  11   0.703   2.831   7.787
  104   HH21  ARG  11          HH21      ARG  11  -0.960   4.460   5.257
  105   HH22  ARG  11          HH22      ARG  11  -0.109   4.593   6.771
  106    H    THR  12           H        THR  12  -0.807   2.333   0.000
  107    HA   THR  12           HA       THR  12  -1.915   1.868  -2.719
  108    HB   THR  12           HB       THR  12   0.146   2.978  -3.660
  109    HG1  THR  12           HG1      THR  12   1.425   4.179  -2.375
  110   HG21  THR  12          HG21      THR  12  -0.561   5.286  -3.480
  111   HG22  THR  12          HG22      THR  12  -2.003   4.260  -3.589
  112   HG23  THR  12          HG23      THR  12  -1.508   4.939  -2.019
  113    H    PHE  13           H        PHE  13  -0.252   0.491  -3.961
  114    HA   PHE  13           HA       PHE  13   0.409  -1.748  -2.482
  115    HB2  PHE  13           HB2      PHE  13   0.140  -2.006  -4.779
  116    HB3  PHE  13           HB3      PHE  13   1.371  -0.811  -5.150
  117    HD1  PHE  13           HD1      PHE  13   0.886  -4.272  -3.834
  118    HD2  PHE  13           HD2      PHE  13   3.684  -1.384  -5.393
  119    HE1  PHE  13           HE1      PHE  13   2.609  -6.050  -4.039
  120    HE2  PHE  13           HE2      PHE  13   5.407  -3.165  -5.588
  121    HZ   PHE  13           HZ       PHE  13   4.871  -5.499  -4.915
  122    H    GLU  14           H        GLU  14   2.790   0.806  -3.249
  123    HA   GLU  14           HA       GLU  14   4.991  -0.506  -1.996
  124    HB2  GLU  14           HB2      GLU  14   5.168   1.388  -3.588
  125    HB3  GLU  14           HB3      GLU  14   4.378   2.444  -2.423
  126    HG2  GLU  14           HG2      GLU  14   6.681   2.934  -2.382
  127    HG3  GLU  14           HG3      GLU  14   6.295   2.156  -0.856
  128    H    GLN  15           H        GLN  15   2.490   1.657  -0.594
  129    HA   GLN  15           HA       GLN  15   3.710   1.707   2.056
  130    HB2  GLN  15           HB2      GLN  15   0.866   2.279   1.155
  131    HB3  GLN  15           HB3      GLN  15   1.500   2.535   2.789
  132    HG2  GLN  15           HG2      GLN  15   3.086   4.212   1.980
  133    HG3  GLN  15           HG3      GLN  15   2.538   3.971   0.313
  134   HE21  GLN  15          HE21      GLN  15  -0.582   5.722   0.818
  135   HE22  GLN  15          HE22      GLN  15   0.360   4.699  -0.284
  136    H    ARG  16           H        ARG  16   1.262  -0.390   0.459
  137    HA   ARG  16           HA       ARG  16   0.722  -1.988   2.824
  138    HB2  ARG  16           HB2      ARG  16   0.427  -2.701  -0.125
  139    HB3  ARG  16           HB3      ARG  16  -0.124  -3.686   1.236
  140    HG2  ARG  16           HG2      ARG  16  -1.467  -1.603   1.989
  141    HG3  ARG  16           HG3      ARG  16  -1.180  -0.982   0.357
  142    HD2  ARG  16           HD2      ARG  16  -2.575  -3.573   1.126
  143    HD3  ARG  16           HD3      ARG  16  -3.356  -2.130   0.510
  144    HE   ARG  16           HE       ARG  16  -1.740  -4.123  -0.987
  145   HH11  ARG  16          HH11      ARG  16  -2.858  -3.043  -4.042
  146   HH12  ARG  16          HH12      ARG  16  -2.015  -4.283  -3.169
  147   HH21  ARG  16          HH21      ARG  16  -3.566  -1.143  -1.273
  148   HH22  ARG  16          HH22      ARG  16  -3.751  -1.323  -2.995
  149    H    VAL  17           H        VAL  17   3.162  -2.310   0.240
  150    HA   VAL  17           HA       VAL  17   4.354  -4.771   1.100
  151    HB   VAL  17           HB       VAL  17   5.406  -2.333  -0.381
  152   HG11  VAL  17          HG11      VAL  17   7.446  -3.662  -0.935
  153   HG12  VAL  17          HG12      VAL  17   7.395  -3.147   0.750
  154   HG13  VAL  17          HG13      VAL  17   6.994  -4.826   0.325
  155   HG21  VAL  17          HG21      VAL  17   3.855  -3.928  -1.543
  156   HG22  VAL  17          HG22      VAL  17   5.465  -3.868  -2.269
  157   HG23  VAL  17          HG23      VAL  17   5.000  -5.226  -1.219
  158    H    GLU  18           H        GLU  18   5.150  -1.348   2.078
  159    HA   GLU  18           HA       GLU  18   7.059  -2.093   4.069
  160    HB2  GLU  18           HB2      GLU  18   5.229   0.319   3.844
  161    HB3  GLU  18           HB3      GLU  18   6.423   0.118   5.137
  162    HG2  GLU  18           HG2      GLU  18   8.233  -0.089   3.483
  163    HG3  GLU  18           HG3      GLU  18   7.083   0.129   2.165
  164    H    ASP  19           H        ASP  19   3.525  -1.483   4.541
  165    HA   ASP  19           HA       ASP  19   3.323  -2.196   7.243
  166    HB2  ASP  19           HB2      ASP  19   1.386  -2.559   4.958
  167    HB3  ASP  19           HB3      ASP  19   0.992  -2.996   6.604
  168    H    VAL  20           H        VAL  20   3.057  -4.484   4.504
  169    HA   VAL  20           HA       VAL  20   2.662  -6.851   6.099
  170    HB   VAL  20           HB       VAL  20   3.586  -6.378   3.233
  171   HG11  VAL  20          HG11      VAL  20   3.137  -8.788   2.824
  172   HG12  VAL  20          HG12      VAL  20   4.521  -8.557   3.876
  173   HG13  VAL  20          HG13      VAL  20   2.956  -9.047   4.569
  174   HG21  VAL  20          HG21      VAL  20   1.338  -7.129   2.662
  175   HG22  VAL  20          HG22      VAL  20   0.980  -7.508   4.365
  176   HG23  VAL  20          HG23      VAL  20   1.198  -5.833   3.848
  177    H    ARG  21           H        ARG  21   5.631  -5.422   4.610
  178    HA   ARG  21           HA       ARG  21   7.339  -7.573   5.392
  179    HB2  ARG  21           HB2      ARG  21   7.704  -5.883   3.584
  180    HB3  ARG  21           HB3      ARG  21   8.111  -4.676   4.811
  181    HG2  ARG  21           HG2      ARG  21  10.044  -6.019   5.522
  182    HG3  ARG  21           HG3      ARG  21   9.571  -7.342   4.447
  183    HD2  ARG  21           HD2      ARG  21  10.369  -4.543   3.542
  184    HD3  ARG  21           HD3      ARG  21  11.420  -5.971   3.532
  185    HE   ARG  21           HE       ARG  21   9.037  -6.568   2.051
  186   HH11  ARG  21          HH11      ARG  21  11.961  -4.663   1.663
  187   HH12  ARG  21          HH12      ARG  21  11.889  -4.763  -0.072
  188   HH21  ARG  21          HH21      ARG  21   8.977  -6.636  -0.123
  189   HH22  ARG  21          HH22      ARG  21  10.244  -5.877  -1.066
  190    H    LEU  22           H        LEU  22   6.783  -4.393   7.052
  191    HA   LEU  22           HA       LEU  22   8.392  -5.029   9.316
  192    HB2  LEU  22           HB2      LEU  22   6.116  -3.076   8.770
  193    HB3  LEU  22           HB3      LEU  22   6.677  -3.359  10.415
  194    HG   LEU  22           HG       LEU  22   9.045  -2.968   9.536
  195   HD11  LEU  22          HD11      LEU  22   7.557  -1.454   7.365
  196   HD12  LEU  22          HD12      LEU  22   9.296  -1.381   7.687
  197   HD13  LEU  22          HD13      LEU  22   8.579  -2.886   7.102
  198   HD21  LEU  22          HD21      LEU  22   8.840  -0.525   9.899
  199   HD22  LEU  22          HD22      LEU  22   7.079  -0.650   9.685
  200   HD23  LEU  22          HD23      LEU  22   7.873  -1.435  11.067
  201    H    ILE  23           H        ILE  23   4.815  -5.628   8.844
  202    HA   ILE  23           HA       ILE  23   4.557  -6.576  11.511
  203    HB   ILE  23           HB       ILE  23   2.761  -5.815   9.817
  204   HG12  ILE  23          HG12      ILE  23   2.225  -6.101  12.075
  205   HG13  ILE  23          HG13      ILE  23   1.017  -6.890  11.091
  206   HG21  ILE  23          HG21      ILE  23   2.456  -8.825   9.403
  207   HG22  ILE  23          HG22      ILE  23   1.361  -7.535   8.864
  208   HG23  ILE  23          HG23      ILE  23   2.979  -7.652   8.176
  209   HD11  ILE  23          HD11      ILE  23   3.115  -8.230  12.829
  210   HD12  ILE  23          HD12      ILE  23   1.369  -8.260  13.023
  211   HD13  ILE  23          HD13      ILE  23   2.098  -9.126  11.663
  212    H    ARG  24           H        ARG  24   5.186  -8.441   8.492
  213    HA   ARG  24           HA       ARG  24   5.089 -10.989   9.830
  214    HB2  ARG  24           HB2      ARG  24   4.849 -10.518   7.323
  215    HB3  ARG  24           HB3      ARG  24   6.592 -10.265   7.267
  216    HG2  ARG  24           HG2      ARG  24   6.176 -12.494   6.515
  217    HG3  ARG  24           HG3      ARG  24   6.890 -12.638   8.119
  218    HD2  ARG  24           HD2      ARG  24   4.515 -12.879   9.037
  219    HD3  ARG  24           HD3      ARG  24   3.951 -12.943   7.363
  220    HE   ARG  24           HE       ARG  24   5.430 -14.933   7.050
  221   HH11  ARG  24          HH11      ARG  24   6.036 -16.910   7.905
  222   HH12  ARG  24          HH12      ARG  24   5.548 -17.343   9.510
  223   HH21  ARG  24          HH21      ARG  24   4.021 -14.362  10.240
  224   HH22  ARG  24          HH22      ARG  24   4.633 -15.863  10.871
  225    H    GLU  25           H        GLU  25   7.766  -8.720   9.333
  226    HA   GLU  25           HA       GLU  25   9.781 -10.492  10.427
  227    HB2  GLU  25           HB2      GLU  25  10.221  -8.667   8.848
  228    HB3  GLU  25           HB3      GLU  25   9.820  -7.465  10.068
  229    HG2  GLU  25           HG2      GLU  25  11.984  -9.588  10.476
  230    HG3  GLU  25           HG3      GLU  25  12.301  -8.121   9.573
  231    H    GLN  26           H        GLN  26   7.857  -7.788  11.910
  232    HA   GLN  26           HA       GLN  26   9.249  -8.023  14.403
  233    HB2  GLN  26           HB2      GLN  26   7.868  -6.307  15.208
  234    HB3  GLN  26           HB3      GLN  26   8.112  -5.978  13.500
  235    HG2  GLN  26           HG2      GLN  26   5.840  -7.126  13.115
  236    HG3  GLN  26           HG3      GLN  26   5.616  -7.077  14.858
  237   HE21  GLN  26          HE21      GLN  26   3.836  -4.093  13.766
  238   HE22  GLN  26          HE22      GLN  26   3.589  -5.817  13.942
  239    H    HIS  27           H        HIS  27   6.302  -9.629  13.233
  240    HA   HIS  27           HA       HIS  27   6.266 -11.266  15.753
  241    HB2  HIS  27           HB2      HIS  27   3.816 -10.114  14.372
  242    HB3  HIS  27           HB3      HIS  27   3.796 -11.244  15.729
  243    HD1  HIS  27           HD1      HIS  27   5.868  -9.776  17.681
  244    HD2  HIS  27           HD2      HIS  27   2.631  -8.098  15.552
  245    HE1  HIS  27           HE1      HIS  27   5.103  -7.721  19.025
  246    HE2  HIS  27           HE2      HIS  27   3.153  -6.687  17.711
  247    HA   PRO  28           HA       PRO  28   6.572 -14.155  12.161
  248    HB2  PRO  28           HB2      PRO  28   7.865 -15.691  14.427
  249    HB3  PRO  28           HB3      PRO  28   8.296 -15.672  12.687
  250    HG2  PRO  28           HG2      PRO  28   9.738 -14.199  14.412
  251    HG3  PRO  28           HG3      PRO  28   9.195 -13.444  12.875
  252    HD2  PRO  28           HD2      PRO  28   7.936 -13.214  15.627
  253    HD3  PRO  28           HD3      PRO  28   8.333 -11.921  14.453
  254    H    THR  29           H        THR  29   5.222 -14.545  15.409
  255    HA   THR  29           HA       THR  29   3.619 -16.878  14.826
  256    HB   THR  29           HB       THR  29   2.630 -16.633  16.910
  257    HG1  THR  29           HG1      THR  29   2.727 -14.680  18.079
  258   HG21  THR  29          HG21      THR  29   5.126 -17.066  17.026
  259   HG22  THR  29          HG22      THR  29   5.358 -15.336  17.375
  260   HG23  THR  29          HG23      THR  29   4.421 -16.355  18.485
  261    H    LYS  30           H        LYS  30   3.220 -13.725  13.660
  262    HA   LYS  30           HA       LYS  30   0.286 -14.157  13.258
  263    HB2  LYS  30           HB2      LYS  30   1.860 -11.574  13.609
  264    HB3  LYS  30           HB3      LYS  30   0.206 -11.633  12.981
  265    HG2  LYS  30           HG2      LYS  30  -0.559 -12.809  15.012
  266    HG3  LYS  30           HG3      LYS  30   1.078 -12.720  15.694
  267    HD2  LYS  30           HD2      LYS  30   0.970 -10.299  15.858
  268    HD3  LYS  30           HD3      LYS  30  -0.469 -10.239  14.828
  269    HE2  LYS  30           HE2      LYS  30  -1.254  -9.891  17.046
  270    HE3  LYS  30           HE3      LYS  30  -1.769 -11.500  16.547
  271    HZ1  LYS  30           HZ1      LYS  30   0.307 -10.766  18.534
  272    HZ2  LYS  30           HZ2      LYS  30  -0.959 -11.736  18.710
  273    HZ3  LYS  30           HZ3      LYS  30   0.334 -12.291  17.854
  274    H    ILE  31           H        ILE  31  -0.695 -13.569  11.442
  275    HA   ILE  31           HA       ILE  31   0.930 -13.839   8.953
  276    HB   ILE  31           HB       ILE  31  -1.832 -14.895   9.679
  277   HG12  ILE  31          HG12      ILE  31  -0.108 -16.136  10.891
  278   HG13  ILE  31          HG13      ILE  31  -0.845 -17.123   9.650
  279   HG21  ILE  31          HG21      ILE  31  -0.179 -15.249   7.162
  280   HG22  ILE  31          HG22      ILE  31  -1.642 -16.184   7.561
  281   HG23  ILE  31          HG23      ILE  31  -1.751 -14.439   7.298
  282   HD11  ILE  31          HD11      ILE  31   1.594 -17.484   9.798
  283   HD12  ILE  31          HD12      ILE  31   1.139 -16.878   8.203
  284   HD13  ILE  31          HD13      ILE  31   1.891 -15.794   9.393
  285    HA   PRO  32           HA       PRO  32  -1.303  -9.993   7.937
  286    HB2  PRO  32           HB2      PRO  32   0.011  -9.339   5.629
  287    HB3  PRO  32           HB3      PRO  32   0.725  -9.122   7.253
  288    HG2  PRO  32           HG2      PRO  32   1.175 -11.379   5.297
  289    HG3  PRO  32           HG3      PRO  32   2.399 -10.489   6.255
  290    HD2  PRO  32           HD2      PRO  32   1.376 -12.928   6.996
  291    HD3  PRO  32           HD3      PRO  32   1.920 -11.704   8.186
  292    H    VAL  33           H        VAL  33  -3.262  -9.983   7.059
  293    HA   VAL  33           HA       VAL  33  -3.823 -11.535   4.594
  294    HB   VAL  33           HB       VAL  33  -5.701 -11.521   6.963
  295   HG11  VAL  33          HG11      VAL  33  -6.800 -13.386   5.756
  296   HG12  VAL  33          HG12      VAL  33  -6.864 -11.888   4.838
  297   HG13  VAL  33          HG13      VAL  33  -5.688 -13.148   4.388
  298   HG21  VAL  33          HG21      VAL  33  -3.763 -13.704   6.140
  299   HG22  VAL  33          HG22      VAL  33  -3.793 -12.811   7.673
  300   HG23  VAL  33          HG23      VAL  33  -5.111 -13.917   7.276
  301    H    ILE  34           H        ILE  34  -5.372 -10.631   3.178
  302    HA   ILE  34           HA       ILE  34  -6.728  -8.120   4.089
  303    HB   ILE  34           HB       ILE  34  -5.241  -8.503   1.466
  304   HG12  ILE  34          HG12      ILE  34  -5.008  -6.583   3.827
  305   HG13  ILE  34          HG13      ILE  34  -3.825  -7.766   3.284
  306   HG21  ILE  34          HG21      ILE  34  -6.168  -6.334   0.743
  307   HG22  ILE  34          HG22      ILE  34  -7.462  -7.478   0.979
  308   HG23  ILE  34          HG23      ILE  34  -7.154  -6.238   2.217
  309   HD11  ILE  34          HD11      ILE  34  -3.034  -5.605   2.690
  310   HD12  ILE  34          HD12      ILE  34  -3.527  -6.398   1.180
  311   HD13  ILE  34          HD13      ILE  34  -4.561  -5.144   1.933
  312    H    ILE  35           H        ILE  35  -8.804  -8.015   3.742
  313    HA   ILE  35           HA       ILE  35 -10.184 -10.037   2.033
  314    HB   ILE  35           HB       ILE  35 -10.828 -10.099   4.418
  315   HG12  ILE  35          HG12      ILE  35 -13.149  -9.010   2.771
  316   HG13  ILE  35          HG13      ILE  35 -12.432 -10.601   2.496
  317   HG21  ILE  35          HG21      ILE  35 -12.189  -8.210   5.401
  318   HG22  ILE  35          HG22      ILE  35 -10.529  -7.751   5.089
  319   HG23  ILE  35          HG23      ILE  35 -11.836  -7.240   3.987
  320   HD11  ILE  35          HD11      ILE  35 -12.949 -11.242   4.868
  321   HD12  ILE  35          HD12      ILE  35 -13.786  -9.689   5.084
  322   HD13  ILE  35          HD13      ILE  35 -14.388 -10.854   3.912
  323    H    GLU  36           H        GLU  36 -11.659  -9.196   0.451
  324    HA   GLU  36           HA       GLU  36 -11.727  -6.218   0.135
  325    HB2  GLU  36           HB2      GLU  36  -9.920  -7.252  -1.208
  326    HB3  GLU  36           HB3      GLU  36 -11.096  -8.257  -2.028
  327    HG2  GLU  36           HG2      GLU  36 -11.945  -5.473  -2.202
  328    HG3  GLU  36           HG3      GLU  36 -10.240  -5.553  -2.571
  329    H    ARG  37           H        ARG  37 -13.690  -5.398  -0.172
  330    HA   ARG  37           HA       ARG  37 -16.115  -6.890  -0.624
  331    HB2  ARG  37           HB2      ARG  37 -16.139  -4.622   0.338
  332    HB3  ARG  37           HB3      ARG  37 -15.302  -3.978  -1.055
  333    HG2  ARG  37           HG2      ARG  37 -17.430  -3.188  -1.315
  334    HG3  ARG  37           HG3      ARG  37 -17.387  -4.511  -2.467
  335    HD2  ARG  37           HD2      ARG  37 -18.523  -4.909   0.330
  336    HD3  ARG  37           HD3      ARG  37 -19.462  -4.104  -0.906
  337    HE   ARG  37           HE       ARG  37 -19.436  -6.101  -2.302
  338   HH11  ARG  37          HH11      ARG  37 -18.177  -6.762   0.913
  339   HH12  ARG  37          HH12      ARG  37 -18.375  -8.469   0.700
  340   HH21  ARG  37          HH21      ARG  37 -20.203  -8.186  -2.174
  341   HH22  ARG  37          HH22      ARG  37 -19.101  -9.230  -1.285
  342    H    TYR  38           H        TYR  38 -16.396  -8.143  -2.383
  343    HA   TYR  38           HA       TYR  38 -14.706  -8.060  -4.526
  344    HB2  TYR  38           HB2      TYR  38 -15.632 -10.085  -4.054
  345    HB3  TYR  38           HB3      TYR  38 -17.274  -9.463  -4.128
  346    HD1  TYR  38           HD1      TYR  38 -14.305 -10.190  -6.291
  347    HD2  TYR  38           HD2      TYR  38 -18.576  -9.628  -6.076
  348    HE1  TYR  38           HE1      TYR  38 -14.521 -10.950  -8.650
  349    HE2  TYR  38           HE2      TYR  38 -18.792 -10.386  -8.440
  350    HH   TYR  38           HH       TYR  38 -15.936 -11.258 -10.428
  351    H    LYS  39           H        LYS  39 -14.409  -7.298  -6.488
  352    HA   LYS  39           HA       LYS  39 -15.354  -4.768  -7.074
  353    HB2  LYS  39           HB2      LYS  39 -14.226  -6.841  -9.011
  354    HB3  LYS  39           HB3      LYS  39 -14.421  -5.124  -9.380
  355    HG2  LYS  39           HG2      LYS  39 -12.910  -4.522  -7.514
  356    HG3  LYS  39           HG3      LYS  39 -12.665  -6.249  -7.164
  357    HD2  LYS  39           HD2      LYS  39 -11.699  -6.595  -9.413
  358    HD3  LYS  39           HD3      LYS  39 -12.040  -4.912  -9.834
  359    HE2  LYS  39           HE2      LYS  39  -9.696  -5.132  -9.330
  360    HE3  LYS  39           HE3      LYS  39 -10.466  -4.125  -8.104
  361    HZ1  LYS  39           HZ1      LYS  39  -9.834  -7.017  -7.734
  362    HZ2  LYS  39           HZ2      LYS  39  -8.925  -5.786  -7.155
  363    HZ3  LYS  39           HZ3      LYS  39 -10.430  -6.001  -6.572
  364    H    GLY  40           H        GLY  40 -16.818  -7.773  -8.244
  365    HA2  GLY  40           HA2      GLY  40 -18.601  -6.455 -10.143
  366    HA3  GLY  40           HA3      GLY  40 -18.589  -8.154  -9.690
  367    H    GLU  41           H        GLU  41 -18.853  -6.861  -6.684
  368    HA   GLU  41           HA       GLU  41 -21.725  -6.227  -6.762
  369    HB2  GLU  41           HB2      GLU  41 -21.996  -8.515  -7.018
  370    HB3  GLU  41           HB3      GLU  41 -20.705  -8.928  -5.908
  371    HG2  GLU  41           HG2      GLU  41 -23.030  -7.417  -4.761
  372    HG3  GLU  41           HG3      GLU  41 -23.336  -9.067  -5.294
  373    H    LYS  42           H        LYS  42 -22.094  -4.698  -5.376
  374    HA   LYS  42           HA       LYS  42 -20.597  -4.534  -2.800
  375    HB2  LYS  42           HB2      LYS  42 -21.905  -2.377  -4.472
  376    HB3  LYS  42           HB3      LYS  42 -21.259  -2.120  -2.848
  377    HG2  LYS  42           HG2      LYS  42 -19.019  -2.847  -3.573
  378    HG3  LYS  42           HG3      LYS  42 -19.616  -3.083  -5.226
  379    HD2  LYS  42           HD2      LYS  42 -20.183  -0.712  -5.412
  380    HD3  LYS  42           HD3      LYS  42 -19.709  -0.426  -3.725
  381    HE2  LYS  42           HE2      LYS  42 -17.369  -1.020  -4.228
  382    HE3  LYS  42           HE3      LYS  42 -17.809  -1.449  -5.888
  383    HZ1  LYS  42           HZ1      LYS  42 -16.881   0.791  -5.782
  384    HZ2  LYS  42           HZ2      LYS  42 -18.435   0.886  -6.261
  385    HZ3  LYS  42           HZ3      LYS  42 -18.024   1.286  -4.727
  386    H    GLN  43           H        GLN  43 -22.745  -6.385  -2.999
  387    HA   GLN  43           HA       GLN  43 -25.072  -5.110  -1.674
  388    HB2  GLN  43           HB2      GLN  43 -24.609  -7.954  -2.644
  389    HB3  GLN  43           HB3      GLN  43 -26.062  -7.394  -1.829
  390    HG2  GLN  43           HG2      GLN  43 -25.039  -6.342  -4.503
  391    HG3  GLN  43           HG3      GLN  43 -26.375  -7.462  -4.266
  392   HE21  GLN  43          HE21      GLN  43 -28.569  -4.840  -2.950
  393   HE22  GLN  43          HE22      GLN  43 -28.242  -6.558  -2.800
  394    H    LEU  44           H        LEU  44 -22.583  -7.628  -0.859
  395    HA   LEU  44           HA       LEU  44 -23.644  -7.788   1.862
  396    HB2  LEU  44           HB2      LEU  44 -20.982  -8.830   0.863
  397    HB3  LEU  44           HB3      LEU  44 -21.747  -9.181   2.408
  398    HG   LEU  44           HG       LEU  44 -22.672 -10.105  -0.327
  399   HD11  LEU  44          HD11      LEU  44 -20.764 -11.319   0.795
  400   HD12  LEU  44          HD12      LEU  44 -21.833 -11.602   2.194
  401   HD13  LEU  44          HD13      LEU  44 -22.223 -12.314   0.627
  402   HD21  LEU  44          HD21      LEU  44 -24.034 -10.463   2.392
  403   HD22  LEU  44          HD22      LEU  44 -24.703  -9.629   0.969
  404   HD23  LEU  44          HD23      LEU  44 -24.433 -11.375   0.923
  405    HA   PRO  45           HA       PRO  45 -21.776  -4.170   3.421
  406    HB2  PRO  45           HB2      PRO  45 -21.940  -4.533   6.139
  407    HB3  PRO  45           HB3      PRO  45 -23.370  -4.313   5.085
  408    HG2  PRO  45           HG2      PRO  45 -22.163  -6.935   6.049
  409    HG3  PRO  45           HG3      PRO  45 -23.874  -6.403   6.153
  410    HD2  PRO  45           HD2      PRO  45 -23.031  -7.987   4.129
  411    HD3  PRO  45           HD3      PRO  45 -24.185  -6.660   3.817
  412    H    VAL  46           H        VAL  46 -19.726  -3.430   3.547
  413    HA   VAL  46           HA       VAL  46 -17.553  -5.157   4.557
  414    HB   VAL  46           HB       VAL  46 -17.437  -3.733   2.462
  415   HG11  VAL  46          HG11      VAL  46 -18.218  -1.574   3.433
  416   HG12  VAL  46          HG12      VAL  46 -16.735  -1.511   4.423
  417   HG13  VAL  46          HG13      VAL  46 -16.634  -1.459   2.655
  418   HG21  VAL  46          HG21      VAL  46 -15.493  -4.889   3.444
  419   HG22  VAL  46          HG22      VAL  46 -15.056  -3.352   2.683
  420   HG23  VAL  46          HG23      VAL  46 -15.162  -3.460   4.449
  421    H    LEU  47           H        LEU  47 -19.403  -2.522   5.768
  422    HA   LEU  47           HA       LEU  47 -19.420  -1.232   7.593
  423    HB2  LEU  47           HB2      LEU  47 -18.195  -3.603   9.018
  424    HB3  LEU  47           HB3      LEU  47 -19.043  -2.246   9.755
  425    HG   LEU  47           HG       LEU  47 -20.247  -4.385   7.945
  426   HD11  LEU  47          HD11      LEU  47 -20.747  -3.706  10.872
  427   HD12  LEU  47          HD12      LEU  47 -21.461  -5.046   9.950
  428   HD13  LEU  47          HD13      LEU  47 -19.720  -5.034  10.302
  429   HD21  LEU  47          HD21      LEU  47 -21.446  -2.271   7.526
  430   HD22  LEU  47          HD22      LEU  47 -22.445  -3.345   8.512
  431   HD23  LEU  47          HD23      LEU  47 -21.590  -1.985   9.275
  432    H    ASP  48           H        ASP  48 -16.342  -2.807   8.339
  433    HA   ASP  48           HA       ASP  48 -14.846  -0.340   7.882
  434    HB2  ASP  48           HB2      ASP  48 -13.934  -0.233  10.206
  435    HB3  ASP  48           HB3      ASP  48 -15.609   0.225  10.012
  436    H    LYS  49           H        LYS  49 -14.822  -3.534   7.384
  437    HA   LYS  49           HA       LYS  49 -11.967  -3.959   8.152
  438    HB2  LYS  49           HB2      LYS  49 -14.333  -5.800   7.896
  439    HB3  LYS  49           HB3      LYS  49 -12.681  -6.438   7.852
  440    HG2  LYS  49           HG2      LYS  49 -12.162  -5.730  10.021
  441    HG3  LYS  49           HG3      LYS  49 -13.407  -4.496  10.041
  442    HD2  LYS  49           HD2      LYS  49 -15.181  -6.226  10.225
  443    HD3  LYS  49           HD3      LYS  49 -13.935  -7.489  10.182
  444    HE2  LYS  49           HE2      LYS  49 -14.383  -7.177  12.510
  445    HE3  LYS  49           HE3      LYS  49 -12.850  -6.383  12.187
  446    HZ1  LYS  49           HZ1      LYS  49 -15.446  -5.102  12.756
  447    HZ2  LYS  49           HZ2      LYS  49 -13.964  -4.844  13.426
  448    HZ3  LYS  49           HZ3      LYS  49 -14.343  -4.252  11.913
  449    H    THR  50           H        THR  50 -10.459  -4.003   6.827
  450    HA   THR  50           HA       THR  50 -10.704  -5.305   4.207
  451    HB   THR  50           HB       THR  50  -9.179  -2.764   4.149
  452    HG1  THR  50           HG1      THR  50 -11.151  -1.800   3.317
  453   HG21  THR  50          HG21      THR  50 -10.808  -4.213   2.030
  454   HG22  THR  50          HG22      THR  50  -9.752  -2.803   1.783
  455   HG23  THR  50          HG23      THR  50  -9.048  -4.363   2.240
  456    H    LYS  51           H        LYS  51  -8.202  -3.758   6.278
  457    HA   LYS  51           HA       LYS  51  -6.283  -5.905   5.578
  458    HB2  LYS  51           HB2      LYS  51  -6.162  -3.589   7.564
  459    HB3  LYS  51           HB3      LYS  51  -4.863  -4.766   7.300
  460    HG2  LYS  51           HG2      LYS  51  -4.630  -4.058   4.954
  461    HG3  LYS  51           HG3      LYS  51  -5.992  -2.939   5.129
  462    HD2  LYS  51           HD2      LYS  51  -3.911  -1.701   5.267
  463    HD3  LYS  51           HD3      LYS  51  -4.756  -1.651   6.828
  464    HE2  LYS  51           HE2      LYS  51  -3.262  -3.469   7.681
  465    HE3  LYS  51           HE3      LYS  51  -2.404  -3.488   6.135
  466    HZ1  LYS  51           HZ1      LYS  51  -1.589  -1.248   6.569
  467    HZ2  LYS  51           HZ2      LYS  51  -2.579  -1.063   7.884
  468    HZ3  LYS  51           HZ3      LYS  51  -1.315  -2.107   7.910
  469    H    PHE  52           H        PHE  52  -5.540  -7.494   7.005
  470    HA   PHE  52           HA       PHE  52  -6.677  -7.678   9.700
  471    HB2  PHE  52           HB2      PHE  52  -6.938  -9.821   7.609
  472    HB3  PHE  52           HB3      PHE  52  -7.006 -10.192   9.322
  473    HD1  PHE  52           HD1      PHE  52  -8.726  -8.270  10.579
  474    HD2  PHE  52           HD2      PHE  52  -9.039 -10.083   6.681
  475    HE1  PHE  52           HE1      PHE  52 -11.180  -7.995  10.653
  476    HE2  PHE  52           HE2      PHE  52 -11.500  -9.859   6.791
  477    HZ   PHE  52           HZ       PHE  52 -12.579  -8.790   8.750
  478    H    LEU  53           H        LEU  53  -5.470  -8.593  11.279
  479    HA   LEU  53           HA       LEU  53  -2.848  -9.904  10.541
  480    HB2  LEU  53           HB2      LEU  53  -3.620  -7.995  12.756
  481    HB3  LEU  53           HB3      LEU  53  -2.530  -9.296  13.153
  482    HG   LEU  53           HG       LEU  53  -0.850  -8.553  11.632
  483   HD11  LEU  53          HD11      LEU  53  -2.754  -6.349  10.762
  484   HD12  LEU  53          HD12      LEU  53  -1.032  -6.407  10.379
  485   HD13  LEU  53          HD13      LEU  53  -2.106  -7.659   9.757
  486   HD21  LEU  53          HD21      LEU  53  -2.029  -6.293  13.308
  487   HD22  LEU  53          HD22      LEU  53  -0.944  -7.565  13.882
  488   HD23  LEU  53          HD23      LEU  53  -0.348  -6.355  12.750
  489    H    VAL  54           H        VAL  54  -3.007 -12.055  10.863
  490    HA   VAL  54           HA       VAL  54  -4.998 -13.017  12.866
  491    HB   VAL  54           HB       VAL  54  -4.350 -14.612  10.431
  492   HG11  VAL  54          HG11      VAL  54  -6.770 -14.500  12.296
  493   HG12  VAL  54          HG12      VAL  54  -6.510 -15.643  10.956
  494   HG13  VAL  54          HG13      VAL  54  -5.463 -15.706  12.385
  495   HG21  VAL  54          HG21      VAL  54  -6.438 -13.758   9.429
  496   HG22  VAL  54          HG22      VAL  54  -6.582 -12.558  10.736
  497   HG23  VAL  54          HG23      VAL  54  -5.237 -12.472   9.581
  498    HA   PRO  55           HA       PRO  55  -1.515 -15.093  14.813
  499    HB2  PRO  55           HB2      PRO  55  -3.712 -16.526  16.302
  500    HB3  PRO  55           HB3      PRO  55  -2.239 -15.732  16.944
  501    HG2  PRO  55           HG2      PRO  55  -4.659 -14.544  17.158
  502    HG3  PRO  55           HG3      PRO  55  -3.205 -13.579  16.725
  503    HD2  PRO  55           HD2      PRO  55  -5.350 -14.678  14.893
  504    HD3  PRO  55           HD3      PRO  55  -4.617 -13.044  14.938
  505    H    ASP  56           H        ASP  56  -0.444 -16.999  14.364
  506    HA   ASP  56           HA       ASP  56  -1.094 -18.543  12.216
  507    HB2  ASP  56           HB2      ASP  56   1.095 -18.609  12.721
  508    HB3  ASP  56           HB3      ASP  56   0.829 -18.769  14.450
  509    H    HIS  57           H        HIS  57  -2.032 -19.463  15.493
  510    HA   HIS  57           HA       HIS  57  -2.959 -22.109  14.714
  511    HB2  HIS  57           HB2      HIS  57  -2.895 -20.483  17.250
  512    HB3  HIS  57           HB3      HIS  57  -4.053 -21.795  17.153
  513    HD1  HIS  57           HD1      HIS  57  -0.366 -21.947  15.809
  514    HD2  HIS  57           HD2      HIS  57  -3.003 -23.557  18.711
  515    HE1  HIS  57           HE1      HIS  57   0.927 -23.793  17.031
  516    HE2  HIS  57           HE2      HIS  57  -0.682 -24.790  18.780
  517    H    VAL  58           H        VAL  58  -4.478 -19.164  14.072
  518    HA   VAL  58           HA       VAL  58  -7.254 -19.947  14.547
  519    HB   VAL  58           HB       VAL  58  -6.004 -17.869  12.732
  520   HG11  VAL  58          HG11      VAL  58  -8.293 -16.863  12.594
  521   HG12  VAL  58          HG12      VAL  58  -8.165 -18.407  11.747
  522   HG13  VAL  58          HG13      VAL  58  -8.952 -18.324  13.344
  523   HG21  VAL  58          HG21      VAL  58  -6.930 -16.293  14.432
  524   HG22  VAL  58          HG22      VAL  58  -7.502 -17.670  15.388
  525   HG23  VAL  58          HG23      VAL  58  -5.757 -17.409  15.153
  526    H    ASN  59           H        ASN  59  -8.460 -21.366  13.405
  527    HA   ASN  59           HA       ASN  59  -7.489 -22.672  10.985
  528    HB2  ASN  59           HB2      ASN  59 -10.257 -22.725  12.281
  529    HB3  ASN  59           HB3      ASN  59  -9.643 -23.868  11.098
  530   HD21  ASN  59          HD21      ASN  59  -7.862 -25.769  13.521
  531   HD22  ASN  59          HD22      ASN  59  -8.124 -25.490  11.797
  532    H    MET  60           H        MET  60  -8.380 -22.472   8.832
  533    HA   MET  60           HA       MET  60  -9.202 -19.913   7.952
  534    HB2  MET  60           HB2      MET  60  -8.187 -21.661   6.547
  535    HB3  MET  60           HB3      MET  60  -9.648 -22.647   6.693
  536    HG2  MET  60           HG2      MET  60  -9.651 -21.533   4.546
  537    HG3  MET  60           HG3      MET  60 -10.956 -20.887   5.539
  538    HE1  MET  60           HE1      MET  60 -10.501 -17.452   4.209
  539    HE2  MET  60           HE2      MET  60 -11.024 -19.025   3.557
  540    HE3  MET  60           HE3      MET  60 -11.506 -18.530   5.196
  541    H    SER  61           H        SER  61 -11.248 -22.709   8.852
  542    HA   SER  61           HA       SER  61 -13.809 -21.551   8.390
  543    HB2  SER  61           HB2      SER  61 -14.519 -23.270  10.077
  544    HB3  SER  61           HB3      SER  61 -13.518 -23.915   8.762
  545    HG   SER  61           HG       SER  61 -12.907 -24.597  10.951
  546    H    GLU  62           H        GLU  62 -11.623 -21.339  11.221
  547    HA   GLU  62           HA       GLU  62 -13.480 -19.872  12.877
  548    HB2  GLU  62           HB2      GLU  62 -11.640 -21.209  13.816
  549    HB3  GLU  62           HB3      GLU  62 -10.466 -20.164  13.037
  550    HG2  GLU  62           HG2      GLU  62 -10.548 -19.569  15.322
  551    HG3  GLU  62           HG3      GLU  62 -11.237 -18.242  14.404
  552    H    LEU  63           H        LEU  63 -10.828 -18.805  10.680
  553    HA   LEU  63           HA       LEU  63 -11.186 -15.989  11.085
  554    HB2  LEU  63           HB2      LEU  63  -9.258 -16.914   9.852
  555    HB3  LEU  63           HB3      LEU  63 -10.337 -17.528   8.599
  556    HG   LEU  63           HG       LEU  63 -11.012 -15.136   8.073
  557   HD11  LEU  63          HD11      LEU  63  -9.481 -13.333   8.857
  558   HD12  LEU  63          HD12      LEU  63 -10.395 -14.038  10.198
  559   HD13  LEU  63          HD13      LEU  63  -8.698 -14.491   9.962
  560   HD21  LEU  63          HD21      LEU  63  -9.291 -16.371   6.788
  561   HD22  LEU  63          HD22      LEU  63  -9.002 -14.624   6.814
  562   HD23  LEU  63          HD23      LEU  63  -8.034 -15.693   7.862
  563    H    ILE  64           H        ILE  64 -12.771 -18.213   8.741
  564    HA   ILE  64           HA       ILE  64 -14.638 -16.359   7.663
  565    HB   ILE  64           HB       ILE  64 -14.435 -19.321   7.928
  566   HG12  ILE  64          HG12      ILE  64 -15.075 -17.545   5.572
  567   HG13  ILE  64          HG13      ILE  64 -13.437 -17.911   6.145
  568   HG21  ILE  64          HG21      ILE  64 -17.081 -18.037   7.133
  569   HG22  ILE  64          HG22      ILE  64 -16.661 -19.748   6.920
  570   HG23  ILE  64          HG23      ILE  64 -16.810 -19.099   8.540
  571   HD11  ILE  64          HD11      ILE  64 -15.416 -19.924   5.061
  572   HD12  ILE  64          HD12      ILE  64 -13.927 -19.356   4.290
  573   HD13  ILE  64          HD13      ILE  64 -13.831 -20.333   5.772
  574    H    LYS  65           H        LYS  65 -14.932 -18.266  10.691
  575    HA   LYS  65           HA       LYS  65 -17.543 -17.337  11.334
  576    HB2  LYS  65           HB2      LYS  65 -16.320 -19.312  12.311
  577    HB3  LYS  65           HB3      LYS  65 -15.380 -18.186  13.302
  578    HG2  LYS  65           HG2      LYS  65 -17.495 -17.344  14.325
  579    HG3  LYS  65           HG3      LYS  65 -18.412 -18.487  13.315
  580    HD2  LYS  65           HD2      LYS  65 -17.227 -20.386  14.399
  581    HD3  LYS  65           HD3      LYS  65 -16.294 -19.237  15.385
  582    HE2  LYS  65           HE2      LYS  65 -18.398 -18.401  16.410
  583    HE3  LYS  65           HE3      LYS  65 -19.333 -19.537  15.430
  584    HZ1  LYS  65           HZ1      LYS  65 -18.917 -20.419  17.668
  585    HZ2  LYS  65           HZ2      LYS  65 -18.171 -21.372  16.573
  586    HZ3  LYS  65           HZ3      LYS  65 -17.301 -20.319  17.472
  587    H    ILE  66           H        ILE  66 -14.388 -15.886  12.410
  588    HA   ILE  66           HA       ILE  66 -15.749 -13.755  13.821
  589    HB   ILE  66           HB       ILE  66 -13.601 -14.151  14.536
  590   HG12  ILE  66          HG12      ILE  66 -14.329 -11.725  14.486
  591   HG13  ILE  66          HG13      ILE  66 -12.642 -12.080  14.760
  592   HG21  ILE  66          HG21      ILE  66 -12.467 -15.141  12.695
  593   HG22  ILE  66          HG22      ILE  66 -12.515 -13.642  11.745
  594   HG23  ILE  66          HG23      ILE  66 -11.522 -13.764  13.220
  595   HD11  ILE  66          HD11      ILE  66 -12.751 -10.129  13.395
  596   HD12  ILE  66          HD12      ILE  66 -12.081 -11.425  12.420
  597   HD13  ILE  66          HD13      ILE  66 -13.774 -10.921  12.198
  598    H    ILE  67           H        ILE  67 -14.574 -13.885  10.428
  599    HA   ILE  67           HA       ILE  67 -15.431 -11.207   9.784
  600    HB   ILE  67           HB       ILE  67 -14.810 -13.689   8.184
  601   HG12  ILE  67          HG12      ILE  67 -13.153 -12.268   7.123
  602   HG13  ILE  67          HG13      ILE  67 -13.798 -10.825   7.895
  603   HG21  ILE  67          HG21      ILE  67 -15.262 -12.419   6.058
  604   HG22  ILE  67          HG22      ILE  67 -16.733 -12.833   6.928
  605   HG23  ILE  67          HG23      ILE  67 -16.085 -11.177   7.005
  606   HD11  ILE  67          HD11      ILE  67 -12.445 -13.110   9.376
  607   HD12  ILE  67          HD12      ILE  67 -11.636 -11.651   8.858
  608   HD13  ILE  67          HD13      ILE  67 -12.922 -11.539  10.062
  609    H    ARG  68           H        ARG  68 -17.232 -14.311   9.475
  610    HA   ARG  68           HA       ARG  68 -19.646 -13.182   8.495
  611    HB2  ARG  68           HB2      ARG  68 -18.975 -15.620   8.514
  612    HB3  ARG  68           HB3      ARG  68 -19.336 -15.672  10.241
  613    HG2  ARG  68           HG2      ARG  68 -21.720 -14.952   9.652
  614    HG3  ARG  68           HG3      ARG  68 -21.245 -15.092   7.947
  615    HD2  ARG  68           HD2      ARG  68 -22.468 -17.040   8.591
  616    HD3  ARG  68           HD3      ARG  68 -20.784 -17.475   8.248
  617    HE   ARG  68           HE       ARG  68 -21.702 -16.982  11.066
  618   HH11  ARG  68          HH11      ARG  68 -21.351 -18.553  12.589
  619   HH12  ARG  68          HH12      ARG  68 -20.789 -20.123  12.107
  620   HH21  ARG  68          HH21      ARG  68 -20.623 -19.398   8.760
  621   HH22  ARG  68          HH22      ARG  68 -20.366 -20.592  10.001
  622    H    ARG  69           H        ARG  69 -18.732 -13.844  11.876
  623    HA   ARG  69           HA       ARG  69 -21.158 -12.845  13.054
  624    HB2  ARG  69           HB2      ARG  69 -19.622 -14.431  14.134
  625    HB3  ARG  69           HB3      ARG  69 -18.357 -13.215  14.190
  626    HG2  ARG  69           HG2      ARG  69 -19.335 -13.515  16.364
  627    HG3  ARG  69           HG3      ARG  69 -19.661 -11.876  15.821
  628    HD2  ARG  69           HD2      ARG  69 -21.695 -14.115  15.477
  629    HD3  ARG  69           HD3      ARG  69 -21.521 -13.241  17.011
  630    HE   ARG  69           HE       ARG  69 -21.810 -11.244  15.056
  631   HH11  ARG  69          HH11      ARG  69 -23.820 -13.832  16.305
  632   HH12  ARG  69          HH12      ARG  69 -25.292 -12.937  16.052
  633   HH21  ARG  69          HH21      ARG  69 -23.710 -10.134  14.818
  634   HH22  ARG  69          HH22      ARG  69 -25.222 -10.891  15.224
  635    H    ARG  70           H        ARG  70 -17.986 -11.200  12.585
  636    HA   ARG  70           HA       ARG  70 -18.888  -8.716  13.822
  637    HB2  ARG  70           HB2      ARG  70 -16.521  -9.369  12.004
  638    HB3  ARG  70           HB3      ARG  70 -16.783  -7.783  12.710
  639    HG2  ARG  70           HG2      ARG  70 -16.395 -10.335  14.339
  640    HG3  ARG  70           HG3      ARG  70 -15.154  -9.138  13.973
  641    HD2  ARG  70           HD2      ARG  70 -16.652  -7.399  15.104
  642    HD3  ARG  70           HD3      ARG  70 -17.645  -8.735  15.679
  643    HE   ARG  70           HE       ARG  70 -14.773  -8.169  16.323
  644   HH11  ARG  70          HH11      ARG  70 -17.756  -9.733  17.368
  645   HH12  ARG  70          HH12      ARG  70 -17.105 -10.097  18.939
  646   HH21  ARG  70          HH21      ARG  70 -14.012  -8.715  18.335
  647   HH22  ARG  70          HH22      ARG  70 -15.057  -9.515  19.472
  648    H    LEU  71           H        LEU  71 -18.911  -9.785  10.441
  649    HA   LEU  71           HA       LEU  71 -20.101  -7.215   9.594
  650    HB2  LEU  71           HB2      LEU  71 -19.521  -9.713   7.985
  651    HB3  LEU  71           HB3      LEU  71 -20.009  -8.145   7.343
  652    HG   LEU  71           HG       LEU  71 -17.383  -8.759   8.777
  653   HD11  LEU  71          HD11      LEU  71 -17.666  -9.569   6.388
  654   HD12  LEU  71          HD12      LEU  71 -17.904  -7.871   5.935
  655   HD13  LEU  71          HD13      LEU  71 -16.358  -8.386   6.630
  656   HD21  LEU  71          HD21      LEU  71 -18.420  -6.147   7.605
  657   HD22  LEU  71          HD22      LEU  71 -17.981  -6.454   9.307
  658   HD23  LEU  71          HD23      LEU  71 -16.732  -6.446   8.056
  659    H    GLN  72           H        GLN  72 -21.444  -9.545  11.332
  660    HA   GLN  72           HA       GLN  72 -23.534 -10.221  11.788
  661    HB2  GLN  72           HB2      GLN  72 -24.352  -7.615  10.449
  662    HB3  GLN  72           HB3      GLN  72 -25.276  -8.552  11.633
  663    HG2  GLN  72           HG2      GLN  72 -23.240  -8.244  13.215
  664    HG3  GLN  72           HG3      GLN  72 -22.712  -6.987  12.087
  665   HE21  GLN  72          HE21      GLN  72 -25.593  -4.861  12.924
  666   HE22  GLN  72          HE22      GLN  72 -24.548  -5.270  11.574
  667    H    LEU  73           H        LEU  73 -22.563 -11.460   9.478
  668    HA   LEU  73           HA       LEU  73 -24.680 -11.518   7.432
  669    HB2  LEU  73           HB2      LEU  73 -22.156 -13.142   7.786
  670    HB3  LEU  73           HB3      LEU  73 -23.202 -13.195   6.364
  671    HG   LEU  73           HG       LEU  73 -21.576 -10.804   7.344
  672   HD11  LEU  73          HD11      LEU  73 -20.282 -12.719   6.331
  673   HD12  LEU  73          HD12      LEU  73 -21.240 -12.516   4.856
  674   HD13  LEU  73          HD13      LEU  73 -20.177 -11.208   5.425
  675   HD21  LEU  73          HD21      LEU  73 -23.324 -11.132   4.854
  676   HD22  LEU  73          HD22      LEU  73 -23.574  -9.981   6.192
  677   HD23  LEU  73          HD23      LEU  73 -22.172  -9.807   5.136
  678    H    ASN  74           H        ASN  74 -26.508 -12.216   8.436
  679    HA   ASN  74           HA       ASN  74 -26.795 -14.576  10.034
  680    HB2  ASN  74           HB2      ASN  74 -28.379 -12.664   9.995
  681    HB3  ASN  74           HB3      ASN  74 -28.790 -13.013   8.318
  682   HD21  ASN  74          HD21      ASN  74 -30.721 -14.996  11.243
  683   HD22  ASN  74          HD22      ASN  74 -29.558 -13.731  11.612
  684    H    ALA  75           H        ALA  75 -27.605 -16.672   9.475
  685    HA   ALA  75           HA       ALA  75 -26.464 -17.864   7.211
  686    HB1  ALA  75           HB1      ALA  75 -27.712 -19.864   7.948
  687    HB2  ALA  75           HB2      ALA  75 -27.019 -19.008   9.334
  688    HB3  ALA  75           HB3      ALA  75 -28.754 -18.852   8.974
  689    H    ASN  76           H        ASN  76 -29.582 -16.265   7.337
  690    HA   ASN  76           HA       ASN  76 -30.718 -17.488   4.963
  691    HB2  ASN  76           HB2      ASN  76 -31.274 -14.883   6.449
  692    HB3  ASN  76           HB3      ASN  76 -32.162 -15.390   5.022
  693   HD21  ASN  76          HD21      ASN  76 -33.084 -17.127   8.556
  694   HD22  ASN  76          HD22      ASN  76 -31.749 -15.974   8.447
  695    H    GLN  77           H        GLN  77 -28.200 -15.074   5.363
  696    HA   GLN  77           HA       GLN  77 -28.429 -14.049   2.602
  697    HB2  GLN  77           HB2      GLN  77 -26.208 -13.643   4.649
  698    HB3  GLN  77           HB3      GLN  77 -26.412 -12.790   3.125
  699    HG2  GLN  77           HG2      GLN  77 -28.144 -12.578   5.616
  700    HG3  GLN  77           HG3      GLN  77 -27.096 -11.344   4.914
  701   HE21  GLN  77          HE21      GLN  77 -29.466 -10.605   2.219
  702   HE22  GLN  77          HE22      GLN  77 -27.741 -10.635   2.561
  703    H    ALA  78           H        ALA  78 -27.228 -14.759   0.873
  704    HA   ALA  78           HA       ALA  78 -25.559 -17.163   1.112
  705    HB1  ALA  78           HB1      ALA  78 -26.045 -15.283  -1.231
  706    HB2  ALA  78           HB2      ALA  78 -25.218 -16.852  -1.300
  707    HB3  ALA  78           HB3      ALA  78 -26.938 -16.783  -0.886
  708    H    PHE  79           H        PHE  79 -23.332 -17.232   1.219
  709    HA   PHE  79           HA       PHE  79 -21.725 -14.828   0.967
  710    HB2  PHE  79           HB2      PHE  79 -22.341 -14.202   3.048
  711    HB3  PHE  79           HB3      PHE  79 -22.515 -15.843   3.630
  712    HD1  PHE  79           HD1      PHE  79 -20.940 -16.722   5.098
  713    HD2  PHE  79           HD2      PHE  79 -19.795 -13.494   2.483
  714    HE1  PHE  79           HE1      PHE  79 -18.736 -16.591   6.224
  715    HE2  PHE  79           HE2      PHE  79 -17.583 -13.360   3.627
  716    HZ   PHE  79           HZ       PHE  79 -17.052 -14.918   5.488
  717    H    PHE  80           H        PHE  80 -19.749 -15.035   0.360
  718    HA   PHE  80           HA       PHE  80 -18.241 -17.514   0.958
  719    HB2  PHE  80           HB2      PHE  80 -18.528 -16.196  -1.763
  720    HB3  PHE  80           HB3      PHE  80 -17.304 -17.388  -1.358
  721    HD1  PHE  80           HD1      PHE  80 -20.851 -16.862  -2.086
  722    HD2  PHE  80           HD2      PHE  80 -17.880 -19.769  -0.923
  723    HE1  PHE  80           HE1      PHE  80 -22.419 -18.692  -2.673
  724    HE2  PHE  80           HE2      PHE  80 -19.458 -21.600  -1.497
  725    HZ   PHE  80           HZ       PHE  80 -21.728 -21.069  -2.367
  726    H    LEU  81           H        LEU  81 -16.315 -17.189   1.809
  727    HA   LEU  81           HA       LEU  81 -14.874 -14.620   1.297
  728    HB2  LEU  81           HB2      LEU  81 -15.300 -15.022   3.633
  729    HB3  LEU  81           HB3      LEU  81 -14.637 -16.651   3.540
  730    HG   LEU  81           HG       LEU  81 -12.394 -15.860   3.316
  731   HD11  LEU  81          HD11      LEU  81 -11.885 -13.375   3.264
  732   HD12  LEU  81          HD12      LEU  81 -12.696 -13.922   1.791
  733   HD13  LEU  81          HD13      LEU  81 -13.622 -13.064   3.042
  734   HD21  LEU  81          HD21      LEU  81 -12.078 -14.500   5.327
  735   HD22  LEU  81          HD22      LEU  81 -13.805 -14.075   5.342
  736   HD23  LEU  81          HD23      LEU  81 -13.291 -15.751   5.610
  737    H    LEU  82           H        LEU  82 -14.058 -15.000  -0.666
  738    HA   LEU  82           HA       LEU  82 -13.041 -17.624  -1.492
  739    HB2  LEU  82           HB2      LEU  82 -13.334 -14.978  -2.956
  740    HB3  LEU  82           HB3      LEU  82 -12.915 -16.507  -3.717
  741    HG   LEU  82           HG       LEU  82 -15.566 -15.931  -2.305
  742   HD11  LEU  82          HD11      LEU  82 -15.303 -14.552  -4.324
  743   HD12  LEU  82          HD12      LEU  82 -14.908 -16.002  -5.274
  744   HD13  LEU  82          HD13      LEU  82 -16.521 -15.814  -4.556
  745   HD21  LEU  82          HD21      LEU  82 -15.055 -18.331  -2.347
  746   HD22  LEU  82          HD22      LEU  82 -16.332 -17.971  -3.514
  747   HD23  LEU  82          HD23      LEU  82 -14.682 -18.242  -4.096
  748    H    VAL  83           H        VAL  83 -11.038 -18.111  -0.792
  749    HA   VAL  83           HA       VAL  83  -8.899 -16.144  -0.463
  750    HB   VAL  83           HB       VAL  83  -8.614 -19.160  -0.486
  751   HG11  VAL  83          HG11      VAL  83  -6.648 -18.685   0.909
  752   HG12  VAL  83          HG12      VAL  83  -6.502 -17.861  -0.645
  753   HG13  VAL  83          HG13      VAL  83  -6.967 -16.933   0.799
  754   HG21  VAL  83          HG21      VAL  83  -9.388 -17.297   1.791
  755   HG22  VAL  83          HG22      VAL  83 -10.269 -18.718   1.206
  756   HG23  VAL  83          HG23      VAL  83  -8.725 -18.931   2.034
  757    H    ASN  84           H        ASN  84  -7.591 -15.386  -2.030
  758    HA   ASN  84           HA       ASN  84  -6.964 -14.916  -4.165
  759    HB2  ASN  84           HB2      ASN  84  -5.310 -16.535  -3.209
  760    HB3  ASN  84           HB3      ASN  84  -6.149 -17.842  -4.055
  761   HD21  ASN  84          HD21      ASN  84  -3.570 -17.265  -6.428
  762   HD22  ASN  84          HD22      ASN  84  -4.111 -18.273  -5.071
  763    H    GLY  85           H        GLY  85  -9.719 -15.363  -4.166
  764    HA2  GLY  85           HA2      GLY  85 -11.347 -15.331  -5.813
  765    HA3  GLY  85           HA3      GLY  85 -10.190 -15.948  -6.984
  766    H    HIS  86           H        HIS  86 -10.264 -18.124  -4.324
  767    HA   HIS  86           HA       HIS  86 -12.554 -19.689  -5.465
  768    HB2  HIS  86           HB2      HIS  86 -10.365 -20.502  -6.345
  769    HB3  HIS  86           HB3      HIS  86  -9.833 -20.835  -4.704
  770    HD1  HIS  86           HD1      HIS  86 -10.553 -23.230  -3.777
  771    HD2  HIS  86           HD2      HIS  86 -12.714 -21.887  -7.157
  772    HE1  HIS  86           HE1      HIS  86 -12.083 -25.170  -4.477
  773    HE2  HIS  86           HE2      HIS  86 -13.384 -24.355  -6.549
  774    H    SER  87           H        SER  87 -13.586 -21.211  -4.065
  775    HA   SER  87           HA       SER  87 -13.974 -20.150  -1.399
  776    HB2  SER  87           HB2      SER  87 -15.814 -21.111  -2.703
  777    HB3  SER  87           HB3      SER  87 -15.029 -22.701  -2.668
  778    HG   SER  87           HG       SER  87 -16.581 -22.521  -1.003
  779    H    MET  88           H        MET  88 -13.488 -20.930   0.578
  780    HA   MET  88           HA       MET  88 -12.120 -23.555   0.876
  781    HB2  MET  88           HB2      MET  88 -11.099 -20.963   2.118
  782    HB3  MET  88           HB3      MET  88 -10.557 -22.586   2.556
  783    HG2  MET  88           HG2      MET  88  -9.945 -22.940   0.121
  784    HG3  MET  88           HG3      MET  88 -10.147 -21.190  -0.085
  785    HE1  MET  88           HE1      MET  88  -7.510 -23.091  -0.607
  786    HE2  MET  88           HE2      MET  88  -7.561 -21.366  -1.035
  787    HE3  MET  88           HE3      MET  88  -6.226 -22.001  -0.051
  788    H    VAL  89           H        VAL  89 -14.931 -22.480   1.439
  789    HA   VAL  89           HA       VAL  89 -15.173 -21.971   4.234
  790    HB   VAL  89           HB       VAL  89 -17.337 -23.032   2.386
  791   HG11  VAL  89          HG11      VAL  89 -18.885 -21.776   3.889
  792   HG12  VAL  89          HG12      VAL  89 -18.081 -23.101   4.723
  793   HG13  VAL  89          HG13      VAL  89 -17.529 -21.423   4.978
  794   HG21  VAL  89          HG21      VAL  89 -16.557 -20.139   2.984
  795   HG22  VAL  89          HG22      VAL  89 -16.326 -20.970   1.433
  796   HG23  VAL  89          HG23      VAL  89 -17.953 -20.668   2.028
  797    H    SER  90           H        SER  90 -15.157 -25.061   2.561
  798    HA   SER  90           HA       SER  90 -16.068 -26.642   4.816
  799    HB2  SER  90           HB2      SER  90 -16.290 -27.288   2.431
  800    HB3  SER  90           HB3      SER  90 -14.527 -27.430   2.315
  801    HG   SER  90           HG       SER  90 -16.334 -29.026   3.837
  802    H    VAL  91           H        VAL  91 -12.916 -25.258   4.103
  803    HA   VAL  91           HA       VAL  91 -11.483 -27.500   5.242
  804    HB   VAL  91           HB       VAL  91  -9.536 -26.806   4.448
  805   HG11  VAL  91          HG11      VAL  91  -9.818 -26.110   2.164
  806   HG12  VAL  91          HG12      VAL  91 -11.171 -27.164   2.599
  807   HG13  VAL  91          HG13      VAL  91 -11.407 -25.400   2.502
  808   HG21  VAL  91          HG21      VAL  91 -10.494 -23.933   4.482
  809   HG22  VAL  91          HG22      VAL  91  -9.194 -24.658   5.449
  810   HG23  VAL  91          HG23      VAL  91  -8.983 -24.469   3.711
  811    H    SER  92           H        SER  92 -10.508 -27.859   7.082
  812    HA   SER  92           HA       SER  92 -10.803 -25.982   9.329
  813    HB2  SER  92           HB2      SER  92  -9.914 -27.873  10.637
  814    HB3  SER  92           HB3      SER  92 -11.302 -28.347   9.643
  815    HG   SER  92           HG       SER  92  -9.568 -29.865   9.502
  816    H    THR  93           H        THR  93  -8.437 -26.418   6.935
  817    HA   THR  93           HA       THR  93  -6.048 -26.544   8.015
  818    HB   THR  93           HB       THR  93  -6.468 -24.537   5.837
  819    HG1  THR  93           HG1      THR  93  -6.621 -26.386   4.451
  820   HG21  THR  93          HG21      THR  93  -4.144 -24.977   6.438
  821   HG22  THR  93          HG22      THR  93  -4.397 -26.731   6.254
  822   HG23  THR  93          HG23      THR  93  -4.502 -25.647   4.846
  823    HA   PRO  94           HA       PRO  94  -5.102 -22.991  10.603
  824    HB2  PRO  94           HB2      PRO  94  -2.265 -23.699   9.847
  825    HB3  PRO  94           HB3      PRO  94  -2.936 -23.292  11.458
  826    HG2  PRO  94           HG2      PRO  94  -2.461 -25.872  10.808
  827    HG3  PRO  94           HG3      PRO  94  -3.992 -25.437  11.634
  828    HD2  PRO  94           HD2      PRO  94  -3.522 -25.916   8.675
  829    HD3  PRO  94           HD3      PRO  94  -4.823 -26.542   9.734
  830    H    ILE  95           H        ILE  95  -4.797 -20.825  10.210
  831    HA   ILE  95           HA       ILE  95  -4.894 -19.960   7.544
  832    HB   ILE  95           HB       ILE  95  -5.875 -18.811   9.531
  833   HG12  ILE  95          HG12      ILE  95  -5.512 -16.489   8.838
  834   HG13  ILE  95          HG13      ILE  95  -4.116 -16.947   7.868
  835   HG21  ILE  95          HG21      ILE  95  -3.882 -18.928  11.051
  836   HG22  ILE  95          HG22      ILE  95  -3.065 -17.715  10.038
  837   HG23  ILE  95          HG23      ILE  95  -4.537 -17.302  10.912
  838   HD11  ILE  95          HD11      ILE  95  -6.233 -16.615   6.563
  839   HD12  ILE  95          HD12      ILE  95  -5.554 -18.231   6.345
  840   HD13  ILE  95          HD13      ILE  95  -6.958 -17.992   7.412
  841    H    SER  96           H        SER  96  -2.033 -20.394   9.544
  842    HA   SER  96           HA       SER  96  -0.194 -18.885   7.907
  843    HB2  SER  96           HB2      SER  96   1.516 -20.236   9.106
  844    HB3  SER  96           HB3      SER  96   0.361 -19.423  10.172
  845    HG   SER  96           HG       SER  96   0.573 -21.452  10.902
  846    H    GLU  97           H        GLU  97  -1.269 -22.307   7.829
  847    HA   GLU  97           HA       GLU  97   0.499 -23.038   5.623
  848    HB2  GLU  97           HB2      GLU  97  -2.015 -24.365   6.706
  849    HB3  GLU  97           HB3      GLU  97  -0.942 -25.038   5.461
  850    HG2  GLU  97           HG2      GLU  97   0.955 -24.850   7.127
  851    HG3  GLU  97           HG3      GLU  97  -0.241 -24.427   8.362
  852    H    VAL  98           H        VAL  98  -2.909 -21.936   5.829
  853    HA   VAL  98           HA       VAL  98  -3.398 -21.934   2.975
  854    HB   VAL  98           HB       VAL  98  -4.591 -20.139   5.115
  855   HG11  VAL  98          HG11      VAL  98  -5.571 -20.796   2.306
  856   HG12  VAL  98          HG12      VAL  98  -6.483 -19.882   3.527
  857   HG13  VAL  98          HG13      VAL  98  -4.988 -19.218   2.868
  858   HG21  VAL  98          HG21      VAL  98  -6.511 -21.729   5.007
  859   HG22  VAL  98          HG22      VAL  98  -5.563 -22.779   3.939
  860   HG23  VAL  98          HG23      VAL  98  -5.045 -22.505   5.614
  861    H    TYR  99           H        TYR  99  -1.993 -19.459   5.158
  862    HA   TYR  99           HA       TYR  99  -1.481 -17.506   3.214
  863    HB2  TYR  99           HB2      TYR  99  -1.335 -16.711   5.305
  864    HB3  TYR  99           HB3      TYR  99  -0.382 -18.048   5.903
  865    HD1  TYR  99           HD1      TYR  99  -0.225 -14.704   4.497
  866    HD2  TYR  99           HD2      TYR  99   2.067 -18.245   5.435
  867    HE1  TYR  99           HE1      TYR  99   1.868 -13.393   4.384
  868    HE2  TYR  99           HE2      TYR  99   4.167 -16.918   5.287
  869    HH   TYR  99           HH       TYR  99   4.163 -13.442   4.402
  870    H    GLU 100           H        GLU 100   0.759 -20.163   4.055
  871    HA   GLU 100           HA       GLU 100   2.661 -19.337   2.055
  872    HB2  GLU 100           HB2      GLU 100   3.283 -20.708   3.976
  873    HB3  GLU 100           HB3      GLU 100   2.165 -21.970   3.475
  874    HG2  GLU 100           HG2      GLU 100   4.400 -22.640   2.982
  875    HG3  GLU 100           HG3      GLU 100   3.502 -22.454   1.491
  876    H    SER 101           H        SER 101  -0.155 -21.521   1.930
  877    HA   SER 101           HA       SER 101   0.377 -22.607  -0.670
  878    HB2  SER 101           HB2      SER 101  -1.088 -23.643   1.013
  879    HB3  SER 101           HB3      SER 101  -2.244 -22.311   0.835
  880    HG   SER 101           HG       SER 101  -2.714 -24.253  -0.438
  881    H    GLU 102           H        GLU 102  -1.576 -19.776   0.328
  882    HA   GLU 102           HA       GLU 102  -2.034 -19.069  -2.545
  883    HB2  GLU 102           HB2      GLU 102  -3.822 -18.634  -0.134
  884    HB3  GLU 102           HB3      GLU 102  -4.154 -18.013  -1.744
  885    HG2  GLU 102           HG2      GLU 102  -3.951 -20.950  -0.983
  886    HG3  GLU 102           HG3      GLU 102  -5.427 -20.028  -1.236
  887    H    LYS 103           H        LYS 103   0.284 -18.249  -1.070
  888    HA   LYS 103           HA       LYS 103   0.133 -15.567  -0.151
  889    HB2  LYS 103           HB2      LYS 103   1.987 -17.475   0.002
  890    HB3  LYS 103           HB3      LYS 103   2.624 -16.726  -1.447
  891    HG2  LYS 103           HG2      LYS 103   3.061 -14.672  -0.302
  892    HG3  LYS 103           HG3      LYS 103   1.996 -15.091   1.045
  893    HD2  LYS 103           HD2      LYS 103   4.304 -15.315   1.777
  894    HD3  LYS 103           HD3      LYS 103   3.504 -16.888   1.763
  895    HE2  LYS 103           HE2      LYS 103   4.566 -17.327  -0.510
  896    HE3  LYS 103           HE3      LYS 103   5.460 -15.812  -0.331
  897    HZ1  LYS 103           HZ1      LYS 103   6.796 -17.686   0.412
  898    HZ2  LYS 103           HZ2      LYS 103   6.448 -16.787   1.728
  899    HZ3  LYS 103           HZ3      LYS 103   5.653 -18.206   1.456
  900    H    ASP 104           H        ASP 104   0.100 -13.635  -1.160
  901    HA   ASP 104           HA       ASP 104   0.417 -13.488  -4.122
  902    HB2  ASP 104           HB2      ASP 104  -1.767 -12.807  -3.093
  903    HB3  ASP 104           HB3      ASP 104  -0.915 -11.516  -2.239
  904    H    GLU 105           H        GLU 105   1.365 -11.596  -4.945
  905    HA   GLU 105           HA       GLU 105   3.734 -11.411  -5.351
  906    HB2  GLU 105           HB2      GLU 105   2.234  -9.612  -6.015
  907    HB3  GLU 105           HB3      GLU 105   2.396  -8.852  -4.442
  908    HG2  GLU 105           HG2      GLU 105   3.723  -7.645  -6.021
  909    HG3  GLU 105           HG3      GLU 105   4.807  -8.418  -4.878
  910    H    ASP 106           H        ASP 106   3.508  -9.132  -2.580
  911    HA   ASP 106           HA       ASP 106   6.336  -9.579  -2.141
  912    HB2  ASP 106           HB2      ASP 106   5.714  -7.374  -2.063
  913    HB3  ASP 106           HB3      ASP 106   4.341  -7.678  -1.005
  914    H    GLY 107           H        GLY 107   3.646 -11.104  -0.749
  915    HA2  GLY 107           HA2      GLY 107   4.329 -13.065   0.692
  916    HA3  GLY 107           HA3      GLY 107   5.219 -11.926   1.693
  917    H    PHE 108           H        PHE 108   1.875 -11.757   0.323
  918    HA   PHE 108           HA       PHE 108   0.797 -11.833   3.079
  919    HB2  PHE 108           HB2      PHE 108  -0.886 -10.091   2.501
  920    HB3  PHE 108           HB3      PHE 108   0.761  -9.549   2.726
  921    HD1  PHE 108           HD1      PHE 108   2.144  -8.742   0.785
  922    HD2  PHE 108           HD2      PHE 108  -1.981  -9.932   0.337
  923    HE1  PHE 108           HE1      PHE 108   2.036  -7.567  -1.405
  924    HE2  PHE 108           HE2      PHE 108  -2.070  -8.779  -1.858
  925    HZ   PHE 108           HZ       PHE 108  -0.056  -7.605  -2.732
  926    H    LEU 109           H        LEU 109  -1.423 -12.526   3.382
  927    HA   LEU 109           HA       LEU 109  -2.276 -14.366   1.188
  928    HB2  LEU 109           HB2      LEU 109  -2.069 -15.338   3.372
  929    HB3  LEU 109           HB3      LEU 109  -3.093 -14.096   4.083
  930    HG   LEU 109           HG       LEU 109  -5.040 -14.952   2.808
  931   HD11  LEU 109          HD11      LEU 109  -3.054 -17.036   1.798
  932   HD12  LEU 109          HD12      LEU 109  -4.806 -17.214   1.717
  933   HD13  LEU 109          HD13      LEU 109  -4.020 -15.918   0.820
  934   HD21  LEU 109          HD21      LEU 109  -4.539 -15.814   5.065
  935   HD22  LEU 109          HD22      LEU 109  -5.275 -17.073   4.050
  936   HD23  LEU 109          HD23      LEU 109  -3.535 -17.097   4.369
  937    H    TYR 110           H        TYR 110  -3.848 -13.790  -0.197
  938    HA   TYR 110           HA       TYR 110  -5.592 -11.510   0.532
  939    HB2  TYR 110           HB2      TYR 110  -4.167 -10.608  -0.938
  940    HB3  TYR 110           HB3      TYR 110  -4.078 -12.042  -1.935
  941    HD1  TYR 110           HD1      TYR 110  -5.330 -12.259  -3.887
  942    HD2  TYR 110           HD2      TYR 110  -6.392  -9.249  -0.978
  943    HE1  TYR 110           HE1      TYR 110  -6.918 -11.245  -5.517
  944    HE2  TYR 110           HE2      TYR 110  -7.971  -8.228  -2.624
  945    HH   TYR 110           HH       TYR 110  -8.355  -9.507  -5.954
  946    H    MET 111           H        MET 111  -7.700 -11.395   0.323
  947    HA   MET 111           HA       MET 111  -9.128 -13.741  -0.843
  948    HB2  MET 111           HB2      MET 111  -9.881 -12.490   1.825
  949    HB3  MET 111           HB3      MET 111 -10.486 -13.973   1.081
  950    HG2  MET 111           HG2      MET 111  -8.173 -14.955   1.397
  951    HG3  MET 111           HG3      MET 111  -7.765 -13.523   2.351
  952    HE1  MET 111           HE1      MET 111  -8.119 -16.545   4.878
  953    HE2  MET 111           HE2      MET 111  -7.555 -16.596   3.199
  954    HE3  MET 111           HE3      MET 111  -7.030 -15.280   4.275
  955    H    VAL 112           H        VAL 112 -11.107 -13.304  -1.749
  956    HA   VAL 112           HA       VAL 112 -12.135 -10.514  -1.557
  957    HB   VAL 112           HB       VAL 112 -12.971 -10.422  -3.663
  958   HG11  VAL 112          HG11      VAL 112 -11.061 -10.697  -5.135
  959   HG12  VAL 112          HG12      VAL 112 -10.487 -10.175  -3.544
  960   HG13  VAL 112          HG13      VAL 112 -10.310 -11.872  -4.040
  961   HG21  VAL 112          HG21      VAL 112 -13.951 -12.658  -3.916
  962   HG22  VAL 112          HG22      VAL 112 -12.979 -12.222  -5.323
  963   HG23  VAL 112          HG23      VAL 112 -12.317 -13.348  -4.126
  964    H    TYR 113           H        TYR 113 -14.315 -10.153  -1.341
  965    HA   TYR 113           HA       TYR 113 -15.781 -12.425  -0.115
  966    HB2  TYR 113           HB2      TYR 113 -15.028 -11.470   1.721
  967    HB3  TYR 113           HB3      TYR 113 -14.841  -9.897   0.999
  968    HD1  TYR 113           HD1      TYR 113 -15.782  -8.342   2.345
  969    HD2  TYR 113           HD2      TYR 113 -17.964 -12.011   1.614
  970    HE1  TYR 113           HE1      TYR 113 -17.674  -7.485   3.687
  971    HE2  TYR 113           HE2      TYR 113 -19.805 -11.154   3.053
  972    HH   TYR 113           HH       TYR 113 -19.788  -7.907   4.519
  973    H    ALA 114           H        ALA 114 -17.675 -12.959  -0.874
  974    HA   ALA 114           HA       ALA 114 -19.368 -10.902  -2.225
  975    HB1  ALA 114           HB1      ALA 114 -19.364 -12.247  -4.280
  976    HB2  ALA 114           HB2      ALA 114 -17.712 -11.774  -3.868
  977    HB3  ALA 114           HB3      ALA 114 -18.259 -13.421  -3.527
  978    H    SER 115           H        SER 115 -21.470 -11.620  -2.805
  979    HA   SER 115           HA       SER 115 -22.717 -13.647  -1.080
  980    HB2  SER 115           HB2      SER 115 -23.934 -11.640  -1.570
  981    HB3  SER 115           HB3      SER 115 -23.698 -11.836  -3.307
  982    HG   SER 115           HG       SER 115 -25.796 -12.487  -2.665
  983    H    GLN 116           H        GLN 116 -21.430 -13.522  -4.305
  984    HA   GLN 116           HA       GLN 116 -22.538 -16.159  -5.108
  985    HB2  GLN 116           HB2      GLN 116 -20.805 -14.290  -6.779
  986    HB3  GLN 116           HB3      GLN 116 -21.825 -15.611  -7.308
  987    HG2  GLN 116           HG2      GLN 116 -22.868 -13.590  -7.975
  988    HG3  GLN 116           HG3      GLN 116 -23.854 -14.301  -6.694
  989   HE21  GLN 116          HE21      GLN 116 -21.682 -11.072  -5.308
  990   HE22  GLN 116          HE22      GLN 116 -20.834 -12.232  -6.336
  991    H    GLU 117           H        GLU 117 -21.127 -17.916  -5.752
  992    HA   GLU 117           HA       GLU 117 -18.458 -17.962  -4.580
  993    HB2  GLU 117           HB2      GLU 117 -18.362 -20.183  -5.214
  994    HB3  GLU 117           HB3      GLU 117 -20.029 -19.942  -4.738
  995    HG2  GLU 117           HG2      GLU 117 -18.984 -20.117  -7.603
  996    HG3  GLU 117           HG3      GLU 117 -19.705 -21.425  -6.693
  997    H    THR 118           H        THR 118 -19.789 -17.217  -7.738
  998    HA   THR 118           HA       THR 118 -17.379 -15.948  -8.568
  999    HB   THR 118           HB       THR 118 -16.846 -18.286  -9.273
 1000    HG1  THR 118           HG1      THR 118 -16.120 -17.582 -11.273
 1001   HG21  THR 118          HG21      THR 118 -19.029 -17.871 -11.373
 1002   HG22  THR 118          HG22      THR 118 -17.906 -19.242 -11.238
 1003   HG23  THR 118          HG23      THR 118 -19.147 -18.995 -10.003
 1004    H    PHE 119           H        PHE 119 -17.725 -14.633 -10.558
 1005    HA   PHE 119           HA       PHE 119 -20.494 -14.358 -11.437
 1006    HB2  PHE 119           HB2      PHE 119 -20.820 -13.206  -9.453
 1007    HB3  PHE 119           HB3      PHE 119 -19.306 -12.338  -9.596
 1008    HD1  PHE 119           HD1      PHE 119 -19.100 -10.324 -11.029
 1009    HD2  PHE 119           HD2      PHE 119 -22.792 -12.513 -10.697
 1010    HE1  PHE 119           HE1      PHE 119 -20.322  -8.404 -12.023
 1011    HE2  PHE 119           HE2      PHE 119 -24.025 -10.585 -11.693
 1012    HZ   PHE 119           HZ       PHE 119 -22.782  -8.529 -12.351
 1013    H    GLY 120           H        GLY 120 -17.404 -12.574 -11.625
 1014    HA2  GLY 120           HA2      GLY 120 -17.000 -12.964 -14.388
 1015    HA3  GLY 120           HA3      GLY 120 -17.875 -11.440 -14.212
 1016    H1   ASP  10           H1       ASP  10 -10.346   1.815  16.143
 1017    H2   ASP  10           H2       ASP  10  -9.830   1.922  17.694
 1018    H3   ASP  10           H3       ASP  10 -10.400   3.261  16.925
 1019    HA   ASP  10           HA       ASP  10  -8.638   3.284  15.387
 1020    HB2  ASP  10           HB2      ASP  10  -7.700   3.281  18.250
 1021    HB3  ASP  10           HB3      ASP  10  -6.654   3.689  16.888
 1022    H    TYR  11           H        TYR  11  -7.169   0.960  17.720
 1023    HA   TYR  11           HA       TYR  11  -5.492   0.195  15.595
 1024    HB2  TYR  11           HB2      TYR  11  -5.589  -0.802  18.402
 1025    HB3  TYR  11           HB3      TYR  11  -4.460  -1.430  17.217
 1026    HD1  TYR  11           HD1      TYR  11  -4.686   0.861  19.771
 1027    HD2  TYR  11           HD2      TYR  11  -3.286   0.643  15.672
 1028    HE1  TYR  11           HE1      TYR  11  -3.164   2.785  20.173
 1029    HE2  TYR  11           HE2      TYR  11  -1.811   2.565  16.088
 1030    HH   TYR  11           HH       TYR  11  -1.048   4.121  17.603
 1031    H    GLU  12           H        GLU  12  -8.481  -0.922  15.649
 1032    HA   GLU  12           HA       GLU  12  -8.070  -3.551  14.554
 1033    HB2  GLU  12           HB2      GLU  12 -10.290  -3.364  13.685
 1034    HB3  GLU  12           HB3      GLU  12 -10.267  -2.840  15.355
 1035    HG2  GLU  12           HG2      GLU  12 -10.243  -0.929  12.957
 1036    HG3  GLU  12           HG3      GLU  12 -11.713  -1.536  13.704
 1037    H    SER  13           H        SER  13  -7.137  -0.525  13.349
 1038    HA   SER  13           HA       SER  13  -5.800  -1.679  11.117
 1039    HB2  SER  13           HB2      SER  13  -8.346  -0.215  10.480
 1040    HB3  SER  13           HB3      SER  13  -6.969  -0.080   9.371
 1041    HG   SER  13           HG       SER  13  -8.041  -2.531  10.301
 1042    H    ASP  14           H        ASP  14  -6.505   1.187  13.047
 1043    HA   ASP  14           HA       ASP  14  -5.300   3.141  11.447
 1044    HB2  ASP  14           HB2      ASP  14  -6.679   3.682  13.346
 1045    HB3  ASP  14           HB3      ASP  14  -5.500   2.964  14.458
 1046    H    ASP  15           H        ASP  15  -3.316   3.799  10.972
 1047    HA   ASP  15           HA       ASP  15  -1.304   2.116  10.664
 1048    HB2  ASP  15           HB2      ASP  15  -1.416   3.981   9.334
 1049    HB3  ASP  15           HB3      ASP  15  -1.381   5.094  10.690
 1050    H    ASP  16           H        ASP  16   0.533   1.311  11.359
 1051    HA   ASP  16           HA       ASP  16   2.021   0.501  12.700
 1052    HB2  ASP  16           HB2      ASP  16   2.304   3.336  13.603
 1053    HB3  ASP  16           HB3      ASP  16   3.263   2.060  14.314
 1054    H    SER  17           H        SER  17   2.713  -0.544  14.506
 1055    HA   SER  17           HA       SER  17   2.375  -1.836  16.334
 1056    HB2  SER  17           HB2      SER  17   1.566   0.859  17.451
 1057    HB3  SER  17           HB3      SER  17   1.970  -0.562  18.433
 1058    HG   SER  17           HG       SER  17   3.782   0.824  18.087
 1059    H    TYR  18           H        TYR  18   0.036  -1.837  14.591
 1060    HA   TYR  18           HA       TYR  18  -2.292  -1.787  16.248
 1061    HB2  TYR  18           HB2      TYR  18  -3.452  -2.401  14.063
 1062    HB3  TYR  18           HB3      TYR  18  -2.695  -0.859  14.288
 1063    HD1  TYR  18           HD1      TYR  18  -0.992  -4.085  13.299
 1064    HD2  TYR  18           HD2      TYR  18  -2.213  -0.111  12.229
 1065    HE1  TYR  18           HE1      TYR  18   0.144  -4.337  11.101
 1066    HE2  TYR  18           HE2      TYR  18  -1.055  -0.342  10.019
 1067    HH   TYR  18           HH       TYR  18   0.694  -3.332   9.098
 1068    H    GLU  19           H        GLU  19  -4.133  -3.281  16.058
 1069    HA   GLU  19           HA       GLU  19  -3.263  -6.063  16.719
 1070    HB2  GLU  19           HB2      GLU  19  -4.291  -4.906  18.519
 1071    HB3  GLU  19           HB3      GLU  19  -5.663  -4.410  17.558
 1072    HG2  GLU  19           HG2      GLU  19  -5.008  -7.349  18.046
 1073    HG3  GLU  19           HG3      GLU  19  -5.883  -6.383  19.228
 1074    H    VAL  20           H        VAL  20  -5.640  -4.254  14.769
 1075    HA   VAL  20           HA       VAL  20  -6.896  -4.817  13.029
 1076    HB   VAL  20           HB       VAL  20  -4.669  -6.320  11.818
 1077   HG11  VAL  20          HG11      VAL  20  -6.820  -5.596  10.562
 1078   HG12  VAL  20          HG12      VAL  20  -6.161  -3.965  10.655
 1079   HG13  VAL  20          HG13      VAL  20  -5.242  -5.226   9.829
 1080   HG21  VAL  20          HG21      VAL  20  -3.483  -4.558  13.010
 1081   HG22  VAL  20          HG22      VAL  20  -3.532  -4.169  11.287
 1082   HG23  VAL  20          HG23      VAL  20  -4.638  -3.346  12.401
 1083    H    LEU  21           H        LEU  21  -7.708  -6.619  14.946
 1084    HA   LEU  21           HA       LEU  21  -9.289  -8.247  13.062
 1085    HB2  LEU  21           HB2      LEU  21  -7.195  -9.596  13.751
 1086    HB3  LEU  21           HB3      LEU  21  -7.902  -9.683  15.351
 1087    HG   LEU  21           HG       LEU  21  -9.831 -10.953  14.429
 1088   HD11  LEU  21          HD11      LEU  21 -10.016 -10.105  12.137
 1089   HD12  LEU  21          HD12      LEU  21  -8.373 -10.675  11.758
 1090   HD13  LEU  21          HD13      LEU  21  -9.686 -11.828  12.065
 1091   HD21  LEU  21          HD21      LEU  21  -7.177 -12.071  13.462
 1092   HD22  LEU  21          HD22      LEU  21  -7.732 -12.113  15.144
 1093   HD23  LEU  21          HD23      LEU  21  -8.634 -12.998  13.895
 1094    H    ASP  22           H        ASP  22  -9.037  -6.604  16.050
 1095    HA   ASP  22           HA       ASP  22 -10.164  -6.328  17.802
 1096    HB2  ASP  22           HB2      ASP  22 -12.577  -5.764  17.775
 1097    HB3  ASP  22           HB3      ASP  22 -11.445  -4.834  16.812
 1098    H    LEU  23           H        LEU  23  -9.295  -8.767  17.701
 1099    HA   LEU  23           HA       LEU  23 -11.194 -10.225  19.517
 1100    HB2  LEU  23           HB2      LEU  23  -8.923 -11.333  17.817
 1101    HB3  LEU  23           HB3      LEU  23  -9.783 -12.244  19.058
 1102    HG   LEU  23           HG       LEU  23 -10.981 -11.189  16.470
 1103   HD11  LEU  23          HD11      LEU  23  -9.492 -13.212  16.319
 1104   HD12  LEU  23          HD12      LEU  23 -10.516 -14.027  17.507
 1105   HD13  LEU  23          HD13      LEU  23 -11.174 -13.576  15.919
 1106   HD21  LEU  23          HD21      LEU  23 -12.289 -12.737  18.752
 1107   HD22  LEU  23          HD22      LEU  23 -12.742 -11.121  18.166
 1108   HD23  LEU  23          HD23      LEU  23 -12.999 -12.530  17.140
 1109    H    THR  24           H        THR  24  -8.300  -8.420  19.354
 1110    HA   THR  24           HA       THR  24  -6.768  -7.854  20.767
 1111    HB   THR  24           HB       THR  24  -7.078  -7.282  22.864
 1112    HG1  THR  24           HG1      THR  24  -7.227  -9.255  23.865
 1113   HG21  THR  24          HG21      THR  24  -9.009  -6.475  21.507
 1114   HG22  THR  24          HG22      THR  24  -9.967  -7.855  22.093
 1115   HG23  THR  24          HG23      THR  24  -9.374  -6.635  23.228
 1116    H    GLU  25           H        GLU  25  -6.524 -10.483  19.610
 1117    HA   GLU  25           HA       GLU  25  -4.746 -11.967  21.404
 1118    HB2  GLU  25           HB2      GLU  25  -5.289 -12.269  18.424
 1119    HB3  GLU  25           HB3      GLU  25  -4.386 -13.420  19.392
 1120    HG2  GLU  25           HG2      GLU  25  -7.328 -12.723  19.758
 1121    HG3  GLU  25           HG3      GLU  25  -6.694 -14.138  18.941
 1122    H    TYR  26           H        TYR  26  -3.941  -9.228  21.020
 1123    HA   TYR  26           HA       TYR  26  -1.895  -8.955  19.070
 1124    HB2  TYR  26           HB2      TYR  26  -2.991  -7.025  19.551
 1125    HB3  TYR  26           HB3      TYR  26  -2.847  -7.237  21.287
 1126    HD1  TYR  26           HD1      TYR  26  -1.128  -6.064  18.257
 1127    HD2  TYR  26           HD2      TYR  26  -0.814  -6.642  22.515
 1128    HE1  TYR  26           HE1      TYR  26   0.826  -4.516  18.316
 1129    HE2  TYR  26           HE2      TYR  26   1.157  -5.105  22.573
 1130    HH   TYR  26           HH       TYR  26   2.444  -3.522  19.625
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -6.470   3.282   6.627
    2    H2   MET   1           H2       MET   1  -6.405   2.656   5.103
    3    H3   MET   1           H3       MET   1  -6.038   4.230   5.384
    4    HA   MET   1           HA       MET   1  -8.343   4.680   6.091
    5    HB2  MET   1           HB2      MET   1  -7.559   5.249   3.824
    6    HB3  MET   1           HB3      MET   1  -8.017   3.650   3.232
    7    HG2  MET   1           HG2      MET   1 -10.397   4.138   3.731
    8    HG3  MET   1           HG3      MET   1  -9.937   5.704   4.405
    9    HE1  MET   1           HE1      MET   1 -12.211   5.551   2.334
   10    HE2  MET   1           HE2      MET   1 -11.567   7.093   2.939
   11    HE3  MET   1           HE3      MET   1 -11.781   6.846   1.195
   12    HA   PRO   2           HA       PRO   2 -10.373   0.603   6.834
   13    HB2  PRO   2           HB2      PRO   2 -11.694   2.121   9.051
   14    HB3  PRO   2           HB3      PRO   2 -10.886   0.531   9.111
   15    HG2  PRO   2           HG2      PRO   2  -9.703   2.688  10.194
   16    HG3  PRO   2           HG3      PRO   2  -8.747   1.507   9.234
   17    HD2  PRO   2           HD2      PRO   2  -9.945   4.138   8.289
   18    HD3  PRO   2           HD3      PRO   2  -8.255   3.571   8.158
   19    H    SER   3           H        SER   3 -11.825   3.870   6.866
   20    HA   SER   3           HA       SER   3 -14.501   3.245   6.818
   21    HB2  SER   3           HB2      SER   3 -13.145   5.680   5.633
   22    HB3  SER   3           HB3      SER   3 -14.866   5.540   6.058
   23    HG   SER   3           HG       SER   3 -13.658   6.502   7.755
   24    H    GLU   4           H        GLU   4 -15.675   2.144   5.502
   25    HA   GLU   4           HA       GLU   4 -16.698   1.209   3.761
   26    HB2  GLU   4           HB2      GLU   4 -17.804   3.330   4.098
   27    HB3  GLU   4           HB3      GLU   4 -16.724   4.112   2.954
   28    HG2  GLU   4           HG2      GLU   4 -18.871   3.713   1.921
   29    HG3  GLU   4           HG3      GLU   4 -17.637   2.785   1.095
   30    H    LYS   5           H        LYS   5 -14.487   3.398   2.057
   31    HA   LYS   5           HA       LYS   5 -14.791   2.086  -0.509
   32    HB2  LYS   5           HB2      LYS   5 -14.255   4.569   0.061
   33    HB3  LYS   5           HB3      LYS   5 -12.611   4.034   0.376
   34    HG2  LYS   5           HG2      LYS   5 -12.689   4.997  -1.788
   35    HG3  LYS   5           HG3      LYS   5 -12.456   3.270  -2.030
   36    HD2  LYS   5           HD2      LYS   5 -14.861   3.010  -2.611
   37    HD3  LYS   5           HD3      LYS   5 -15.151   4.715  -2.207
   38    HE2  LYS   5           HE2      LYS   5 -13.553   5.400  -3.997
   39    HE3  LYS   5           HE3      LYS   5 -13.331   3.698  -4.441
   40    HZ1  LYS   5           HZ1      LYS   5 -15.920   5.184  -4.571
   41    HZ2  LYS   5           HZ2      LYS   5 -14.996   4.788  -5.856
   42    HZ3  LYS   5           HZ3      LYS   5 -15.728   3.613  -4.994
   43    H    THR   6           H        THR   6 -13.040   1.063  -1.751
   44    HA   THR   6           HA       THR   6 -11.682  -0.957  -0.360
   45    HB   THR   6           HB       THR   6 -10.827  -1.790  -2.273
   46    HG1  THR   6           HG1      THR   6 -10.376  -0.409  -4.112
   47   HG21  THR   6          HG21      THR   6 -13.309  -1.443  -2.608
   48   HG22  THR   6          HG22      THR   6 -12.909   0.028  -3.548
   49   HG23  THR   6          HG23      THR   6 -12.361  -1.565  -4.095
   50    H    PHE   7           H        PHE   7  -9.562  -1.472   0.156
   51    HA   PHE   7           HA       PHE   7  -7.889   0.727   1.122
   52    HB2  PHE   7           HB2      PHE   7  -6.666  -0.960   2.093
   53    HB3  PHE   7           HB3      PHE   7  -8.064  -1.943   1.734
   54    HD1  PHE   7           HD1      PHE   7  -7.977  -3.626  -0.128
   55    HD2  PHE   7           HD2      PHE   7  -4.605  -1.125   0.824
   56    HE1  PHE   7           HE1      PHE   7  -6.582  -4.895  -1.737
   57    HE2  PHE   7           HE2      PHE   7  -3.214  -2.386  -0.766
   58    HZ   PHE   7           HZ       PHE   7  -4.197  -4.311  -2.049
   59    H    LYS   8           H        LYS   8  -8.041  -1.297  -1.848
   60    HA   LYS   8           HA       LYS   8  -5.496  -0.653  -2.919
   61    HB2  LYS   8           HB2      LYS   8  -6.793  -2.594  -3.610
   62    HB3  LYS   8           HB3      LYS   8  -8.084  -1.571  -4.232
   63    HG2  LYS   8           HG2      LYS   8  -6.820  -2.475  -6.057
   64    HG3  LYS   8           HG3      LYS   8  -6.592  -0.733  -6.014
   65    HD2  LYS   8           HD2      LYS   8  -4.355  -1.164  -4.818
   66    HD3  LYS   8           HD3      LYS   8  -4.604  -2.885  -5.121
   67    HE2  LYS   8           HE2      LYS   8  -4.423  -0.671  -7.231
   68    HE3  LYS   8           HE3      LYS   8  -3.111  -1.756  -6.781
   69    HZ1  LYS   8           HZ1      LYS   8  -4.494  -3.643  -7.590
   70    HZ2  LYS   8           HZ2      LYS   8  -5.665  -2.599  -8.080
   71    HZ3  LYS   8           HZ3      LYS   8  -4.192  -2.563  -8.775
   72    H    GLN   9           H        GLN   9  -8.528   1.088  -3.146
   73    HA   GLN   9           HA       GLN   9  -7.751   3.102  -5.019
   74    HB2  GLN   9           HB2      GLN   9  -9.977   3.023  -4.634
   75    HB3  GLN   9           HB3      GLN   9  -9.852   2.717  -2.929
   76    HG2  GLN   9           HG2      GLN   9  -9.304   5.442  -4.182
   77    HG3  GLN   9           HG3      GLN   9 -10.875   4.912  -3.606
   78   HE21  GLN   9          HE21      GLN   9  -9.534   4.874  -0.078
   79   HE22  GLN   9          HE22      GLN   9  -9.896   3.499  -1.104
   80    H    ARG  10           H        ARG  10  -6.737   2.666  -1.671
   81    HA   ARG  10           HA       ARG  10  -5.439   5.359  -1.666
   82    HB2  ARG  10           HB2      ARG  10  -7.012   4.485   0.254
   83    HB3  ARG  10           HB3      ARG  10  -5.639   3.490   0.708
   84    HG2  ARG  10           HG2      ARG  10  -5.130   5.319   1.989
   85    HG3  ARG  10           HG3      ARG  10  -4.342   5.872   0.522
   86    HD2  ARG  10           HD2      ARG  10  -7.040   6.679   1.652
   87    HD3  ARG  10           HD3      ARG  10  -5.639   7.702   1.411
   88    HE   ARG  10           HE       ARG  10  -7.649   6.834  -0.590
   89   HH11  ARG  10          HH11      ARG  10  -4.896   9.477  -1.696
   90   HH12  ARG  10          HH12      ARG  10  -4.640   8.609  -0.203
   91   HH21  ARG  10          HH21      ARG  10  -6.702   9.056  -2.947
   92   HH22  ARG  10          HH22      ARG  10  -7.865   7.856  -2.408
   93    H    ARG  11           H        ARG  11  -4.598   1.897  -1.108
   94    HA   ARG  11           HA       ARG  11  -1.692   2.632  -1.372
   95    HB2  ARG  11           HB2      ARG  11  -2.927   0.415   0.327
   96    HB3  ARG  11           HB3      ARG  11  -1.205   0.762   0.160
   97    HG2  ARG  11           HG2      ARG  11  -1.720   3.111   1.030
   98    HG3  ARG  11           HG3      ARG  11  -3.338   2.504   1.445
   99    HD2  ARG  11           HD2      ARG  11  -2.362   0.858   2.978
  100    HD3  ARG  11           HD3      ARG  11  -0.721   1.324   2.483
  101    HE   ARG  11           HE       ARG  11  -2.309   3.579   3.420
  102   HH11  ARG  11          HH11      ARG  11  -1.635   4.725   5.170
  103   HH12  ARG  11          HH12      ARG  11  -0.676   3.940   6.402
  104   HH21  ARG  11          HH21      ARG  11  -0.211   0.992   4.725
  105   HH22  ARG  11          HH22      ARG  11   0.283   2.037   6.013
  106    H    THR  12           H        THR  12  -0.312   1.350  -2.478
  107    HA   THR  12           HA       THR  12  -1.219  -1.192  -3.566
  108    HB   THR  12           HB       THR  12  -1.859   0.495  -5.276
  109    HG1  THR  12           HG1      THR  12  -1.026  -1.032  -6.874
  110   HG21  THR  12          HG21      THR  12   1.080   0.338  -6.059
  111   HG22  THR  12          HG22      THR  12  -0.243   1.165  -6.896
  112   HG23  THR  12          HG23      THR  12   0.325   1.775  -5.331
  113    H    PHE  13           H        PHE  13   0.929  -1.853  -5.219
  114    HA   PHE  13           HA       PHE  13   2.327  -3.348  -3.570
  115    HB2  PHE  13           HB2      PHE  13   3.172  -2.262  -6.211
  116    HB3  PHE  13           HB3      PHE  13   4.267  -3.289  -5.300
  117    HD1  PHE  13           HD1      PHE  13   1.273  -3.267  -7.380
  118    HD2  PHE  13           HD2      PHE  13   3.613  -5.586  -4.594
  119    HE1  PHE  13           HE1      PHE  13   0.096  -5.339  -8.104
  120    HE2  PHE  13           HE2      PHE  13   2.438  -7.651  -5.319
  121    HZ   PHE  13           HZ       PHE  13   0.665  -7.528  -7.065
  122    H    GLU  14           H        GLU  14   3.946  -0.197  -4.262
  123    HA   GLU  14           HA       GLU  14   6.163  -0.850  -2.562
  124    HB2  GLU  14           HB2      GLU  14   5.022   1.873  -3.312
  125    HB3  GLU  14           HB3      GLU  14   6.589   1.625  -2.560
  126    HG2  GLU  14           HG2      GLU  14   5.751   0.596  -5.308
  127    HG3  GLU  14           HG3      GLU  14   6.726   2.020  -4.995
  128    H    GLN  15           H        GLN  15   3.094   0.805  -1.797
  129    HA   GLN  15           HA       GLN  15   3.766   1.314   0.996
  130    HB2  GLN  15           HB2      GLN  15   1.099   1.218  -0.476
  131    HB3  GLN  15           HB3      GLN  15   1.292   1.725   1.197
  132    HG2  GLN  15           HG2      GLN  15   2.583   3.105  -1.199
  133    HG3  GLN  15           HG3      GLN  15   1.109   3.633  -0.398
  134   HE21  GLN  15          HE21      GLN  15   4.172   5.476   0.952
  135   HE22  GLN  15          HE22      GLN  15   3.705   5.102  -0.699
  136    H    ARG  16           H        ARG  16   2.058  -1.310  -0.742
  137    HA   ARG  16           HA       ARG  16   1.335  -2.782   1.644
  138    HB2  ARG  16           HB2      ARG  16   1.532  -3.533  -1.291
  139    HB3  ARG  16           HB3      ARG  16   1.264  -4.757  -0.049
  140    HG2  ARG  16           HG2      ARG  16  -0.684  -3.429   0.810
  141    HG3  ARG  16           HG3      ARG  16  -0.517  -2.336  -0.572
  142    HD2  ARG  16           HD2      ARG  16  -0.740  -5.336  -0.943
  143    HD3  ARG  16           HD3      ARG  16  -2.161  -4.410  -0.596
  144    HE   ARG  16           HE       ARG  16  -2.026  -3.256  -2.673
  145   HH11  ARG  16          HH11      ARG  16   0.232  -5.948  -2.622
  146   HH12  ARG  16          HH12      ARG  16   0.546  -5.794  -4.324
  147   HH21  ARG  16          HH21      ARG  16  -1.529  -3.169  -4.910
  148   HH22  ARG  16          HH22      ARG  16  -0.527  -4.430  -5.542
  149    H    VAL  17           H        VAL  17   4.207  -3.037  -0.455
  150    HA   VAL  17           HA       VAL  17   5.414  -5.248   0.966
  151    HB   VAL  17           HB       VAL  17   6.508  -3.057  -0.848
  152   HG11  VAL  17          HG11      VAL  17   8.391  -3.635   0.589
  153   HG12  VAL  17          HG12      VAL  17   8.054  -5.371   0.399
  154   HG13  VAL  17          HG13      VAL  17   8.610  -4.398  -0.985
  155   HG21  VAL  17          HG21      VAL  17   6.750  -4.907  -2.434
  156   HG22  VAL  17          HG22      VAL  17   6.247  -6.086  -1.201
  157   HG23  VAL  17          HG23      VAL  17   5.085  -4.905  -1.835
  158    H    GLU  18           H        GLU  18   5.742  -1.640   1.386
  159    HA   GLU  18           HA       GLU  18   7.449  -1.825   3.681
  160    HB2  GLU  18           HB2      GLU  18   5.500   0.279   2.715
  161    HB3  GLU  18           HB3      GLU  18   6.348   0.430   4.266
  162    HG2  GLU  18           HG2      GLU  18   8.513   0.209   3.175
  163    HG3  GLU  18           HG3      GLU  18   7.749   0.014   1.592
  164    H    ASP  19           H        ASP  19   3.823  -1.694   3.575
  165    HA   ASP  19           HA       ASP  19   3.452  -2.066   6.339
  166    HB2  ASP  19           HB2      ASP  19   1.705  -2.805   3.993
  167    HB3  ASP  19           HB3      ASP  19   1.262  -3.216   5.641
  168    H    VAL  20           H        VAL  20   3.785  -4.739   3.950
  169    HA   VAL  20           HA       VAL  20   3.631  -6.818   5.935
  170    HB   VAL  20           HB       VAL  20   4.947  -6.766   3.186
  171   HG11  VAL  20          HG11      VAL  20   4.471  -9.144   5.042
  172   HG12  VAL  20          HG12      VAL  20   4.890  -9.255   3.323
  173   HG13  VAL  20          HG13      VAL  20   6.046  -8.560   4.450
  174   HG21  VAL  20          HG21      VAL  20   2.483  -6.527   3.235
  175   HG22  VAL  20          HG22      VAL  20   2.948  -8.082   2.552
  176   HG23  VAL  20          HG23      VAL  20   2.340  -7.991   4.221
  177    H    ARG  21           H        ARG  21   6.536  -5.093   4.603
  178    HA   ARG  21           HA       ARG  21   8.451  -6.628   6.113
  179    HB2  ARG  21           HB2      ARG  21   8.549  -3.836   4.911
  180    HB3  ARG  21           HB3      ARG  21   9.919  -4.558   5.762
  181    HG2  ARG  21           HG2      ARG  21  10.025  -6.420   4.208
  182    HG3  ARG  21           HG3      ARG  21   8.573  -5.867   3.359
  183    HD2  ARG  21           HD2      ARG  21   9.728  -3.782   2.711
  184    HD3  ARG  21           HD3      ARG  21  11.185  -4.313   3.581
  185    HE   ARG  21           HE       ARG  21  10.504  -6.358   1.744
  186   HH11  ARG  21          HH11      ARG  21  12.417  -5.326  -0.923
  187   HH12  ARG  21          HH12      ARG  21  11.541  -6.640  -0.202
  188   HH21  ARG  21          HH21      ARG  21  12.521  -3.353   0.048
  189   HH22  ARG  21          HH22      ARG  21  11.726  -3.071   1.571
  190    H    LEU  22           H        LEU  22   6.803  -3.583   6.976
  191    HA   LEU  22           HA       LEU  22   8.032  -3.310   9.572
  192    HB2  LEU  22           HB2      LEU  22   5.399  -2.333   8.389
  193    HB3  LEU  22           HB3      LEU  22   5.926  -1.892  10.013
  194    HG   LEU  22           HG       LEU  22   7.705  -1.375   7.601
  195   HD11  LEU  22          HD11      LEU  22   5.537  -0.263   7.193
  196   HD12  LEU  22          HD12      LEU  22   5.639   0.519   8.785
  197   HD13  LEU  22          HD13      LEU  22   6.823   0.903   7.508
  198   HD21  LEU  22          HD21      LEU  22   8.656   0.367   9.041
  199   HD22  LEU  22          HD22      LEU  22   7.522  -0.053  10.341
  200   HD23  LEU  22          HD23      LEU  22   8.765  -1.211   9.826
  201    H    ILE  23           H        ILE  23   4.909  -4.867   8.597
  202    HA   ILE  23           HA       ILE  23   4.329  -5.691  11.281
  203    HB   ILE  23           HB       ILE  23   3.191  -6.211   8.579
  204   HG12  ILE  23          HG12      ILE  23   1.137  -5.490   9.727
  205   HG13  ILE  23          HG13      ILE  23   1.970  -5.508  11.284
  206   HG21  ILE  23          HG21      ILE  23   1.551  -7.841   9.425
  207   HG22  ILE  23          HG22      ILE  23   3.171  -8.506   9.355
  208   HG23  ILE  23          HG23      ILE  23   2.487  -8.011  10.927
  209   HD11  ILE  23          HD11      ILE  23   3.386  -3.597  10.538
  210   HD12  ILE  23          HD12      ILE  23   2.481  -3.567   9.002
  211   HD13  ILE  23          HD13      ILE  23   1.670  -3.232  10.528
  212    H    ARG  24           H        ARG  24   6.108  -7.428   8.725
  213    HA   ARG  24           HA       ARG  24   6.464  -9.848  10.226
  214    HB2  ARG  24           HB2      ARG  24   6.799  -9.769   7.823
  215    HB3  ARG  24           HB3      ARG  24   8.056  -8.551   7.974
  216    HG2  ARG  24           HG2      ARG  24   9.008 -10.742   7.458
  217    HG3  ARG  24           HG3      ARG  24   9.583 -10.140   9.007
  218    HD2  ARG  24           HD2      ARG  24   7.803 -11.650  10.122
  219    HD3  ARG  24           HD3      ARG  24   7.469 -12.281   8.512
  220    HE   ARG  24           HE       ARG  24   9.434 -13.499   8.570
  221   HH11  ARG  24          HH11      ARG  24  11.206 -14.441   9.485
  222   HH12  ARG  24          HH12      ARG  24  11.892 -13.801  10.944
  223   HH21  ARG  24          HH21      ARG  24   9.643 -11.205  11.260
  224   HH22  ARG  24          HH22      ARG  24  11.049 -12.013  11.904
  225    H    GLU  25           H        GLU  25   8.244  -6.779  10.375
  226    HA   GLU  25           HA       GLU  25  10.237  -7.810  12.256
  227    HB2  GLU  25           HB2      GLU  25  10.717  -5.938  10.791
  228    HB3  GLU  25           HB3      GLU  25   9.410  -4.980  11.506
  229    HG2  GLU  25           HG2      GLU  25  10.555  -4.964  13.679
  230    HG3  GLU  25           HG3      GLU  25  11.809  -6.038  13.054
  231    H    GLN  26           H        GLN  26   7.186  -5.937  12.584
  232    HA   GLN  26           HA       GLN  26   7.278  -5.609  15.413
  233    HB2  GLN  26           HB2      GLN  26   4.965  -5.704  13.453
  234    HB3  GLN  26           HB3      GLN  26   4.771  -5.265  15.155
  235    HG2  GLN  26           HG2      GLN  26   6.019  -3.269  14.935
  236    HG3  GLN  26           HG3      GLN  26   6.646  -3.708  13.349
  237   HE21  GLN  26          HE21      GLN  26   2.636  -2.920  12.999
  238   HE22  GLN  26          HE22      GLN  26   3.161  -4.365  13.853
  239    H    HIS  27           H        HIS  27   5.573  -8.115  13.494
  240    HA   HIS  27           HA       HIS  27   5.087  -9.744  15.967
  241    HB2  HIS  27           HB2      HIS  27   2.982  -8.987  13.891
  242    HB3  HIS  27           HB3      HIS  27   2.727  -9.956  15.340
  243    HD1  HIS  27           HD1      HIS  27   3.791  -8.150  17.636
  244    HD2  HIS  27           HD2      HIS  27   1.624  -6.829  14.250
  245    HE1  HIS  27           HE1      HIS  27   2.570  -6.006  18.350
  246    HE2  HIS  27           HE2      HIS  27   1.242  -5.208  16.295
  247    HA   PRO  28           HA       PRO  28   6.749 -12.305  12.426
  248    HB2  PRO  28           HB2      PRO  28   7.874 -13.754  14.832
  249    HB3  PRO  28           HB3      PRO  28   8.625 -13.479  13.234
  250    HG2  PRO  28           HG2      PRO  28   9.333 -11.934  15.327
  251    HG3  PRO  28           HG3      PRO  28   9.000 -11.153  13.745
  252    HD2  PRO  28           HD2      PRO  28   7.169 -11.381  16.144
  253    HD3  PRO  28           HD3      PRO  28   7.527  -9.962  15.111
  254    H    THR  29           H        THR  29   4.982 -13.280  15.351
  255    HA   THR  29           HA       THR  29   4.174 -15.870  14.347
  256    HB   THR  29           HB       THR  29   2.984 -16.189  16.316
  257    HG1  THR  29           HG1      THR  29   2.393 -14.486  17.672
  258   HG21  THR  29          HG21      THR  29   5.177 -14.277  17.242
  259   HG22  THR  29          HG22      THR  29   4.466 -15.644  18.121
  260   HG23  THR  29          HG23      THR  29   5.476 -15.949  16.696
  261    H    LYS  30           H        LYS  30   3.054 -12.861  13.363
  262    HA   LYS  30           HA       LYS  30   0.304 -13.919  12.851
  263    HB2  LYS  30           HB2      LYS  30   1.159 -11.019  13.120
  264    HB3  LYS  30           HB3      LYS  30  -0.471 -11.619  12.762
  265    HG2  LYS  30           HG2      LYS  30  -0.490 -12.824  14.955
  266    HG3  LYS  30           HG3      LYS  30   1.102 -12.154  15.330
  267    HD2  LYS  30           HD2      LYS  30   0.163  -9.861  15.296
  268    HD3  LYS  30           HD3      LYS  30  -1.398 -10.491  14.773
  269    HE2  LYS  30           HE2      LYS  30  -1.540  -9.990  17.126
  270    HE3  LYS  30           HE3      LYS  30  -1.667 -11.735  16.899
  271    HZ1  LYS  30           HZ1      LYS  30   0.787 -10.292  17.816
  272    HZ2  LYS  30           HZ2      LYS  30  -0.213 -11.166  18.766
  273    HZ3  LYS  30           HZ3      LYS  30   0.683 -11.927  17.631
  274    H    ILE  31           H        ILE  31  -0.664 -13.790  11.014
  275    HA   ILE  31           HA       ILE  31   0.919 -13.591   8.546
  276    HB   ILE  31           HB       ILE  31  -1.954 -14.444   9.079
  277   HG12  ILE  31          HG12      ILE  31  -0.535 -15.935  10.309
  278   HG13  ILE  31          HG13      ILE  31  -1.159 -16.758   8.890
  279   HG21  ILE  31          HG21      ILE  31  -1.656 -13.816   6.739
  280   HG22  ILE  31          HG22      ILE  31  -0.206 -14.830   6.617
  281   HG23  ILE  31          HG23      ILE  31  -1.816 -15.560   6.894
  282   HD11  ILE  31          HD11      ILE  31   1.671 -15.676   9.195
  283   HD12  ILE  31          HD12      ILE  31   1.163 -17.369   9.273
  284   HD13  ILE  31          HD13      ILE  31   1.032 -16.477   7.745
  285    HA   PRO  32           HA       PRO  32  -1.243  -9.645   7.649
  286    HB2  PRO  32           HB2      PRO  32   0.126  -8.878   5.438
  287    HB3  PRO  32           HB3      PRO  32   0.872  -8.856   7.059
  288    HG2  PRO  32           HG2      PRO  32   1.113 -10.985   4.919
  289    HG3  PRO  32           HG3      PRO  32   2.427 -10.213   5.863
  290    HD2  PRO  32           HD2      PRO  32   1.283 -12.644   6.517
  291    HD3  PRO  32           HD3      PRO  32   1.961 -11.527   7.741
  292    H    VAL  33           H        VAL  33  -3.199  -9.496   6.685
  293    HA   VAL  33           HA       VAL  33  -3.824 -11.118   4.263
  294    HB   VAL  33           HB       VAL  33  -5.643 -10.826   6.669
  295   HG11  VAL  33          HG11      VAL  33  -5.789 -12.640   4.230
  296   HG12  VAL  33          HG12      VAL  33  -6.885 -12.699   5.626
  297   HG13  VAL  33          HG13      VAL  33  -6.874 -11.277   4.594
  298   HG21  VAL  33          HG21      VAL  33  -3.857 -13.175   5.932
  299   HG22  VAL  33          HG22      VAL  33  -3.786 -12.194   7.411
  300   HG23  VAL  33          HG23      VAL  33  -5.178 -13.238   7.113
  301    H    ILE  34           H        ILE  34  -5.210 -10.257   2.771
  302    HA   ILE  34           HA       ILE  34  -6.338  -7.506   3.273
  303    HB   ILE  34           HB       ILE  34  -5.700  -8.909   0.653
  304   HG12  ILE  34          HG12      ILE  34  -3.657  -8.124   1.654
  305   HG13  ILE  34          HG13      ILE  34  -4.054  -7.145   0.260
  306   HG21  ILE  34          HG21      ILE  34  -6.316  -6.734  -0.401
  307   HG22  ILE  34          HG22      ILE  34  -7.685  -7.558   0.313
  308   HG23  ILE  34          HG23      ILE  34  -6.948  -6.173   1.165
  309   HD11  ILE  34          HD11      ILE  34  -4.855  -5.319   1.758
  310   HD12  ILE  34          HD12      ILE  34  -4.404  -6.312   3.168
  311   HD13  ILE  34          HD13      ILE  34  -3.163  -5.754   2.037
  312    H    ILE  35           H        ILE  35  -8.537  -7.203   3.008
  313    HA   ILE  35           HA       ILE  35 -10.141  -9.428   1.923
  314    HB   ILE  35           HB       ILE  35 -10.383  -9.756   4.285
  315   HG12  ILE  35          HG12      ILE  35 -12.898  -8.524   3.038
  316   HG13  ILE  35          HG13      ILE  35 -12.275 -10.148   2.700
  317   HG21  ILE  35          HG21      ILE  35 -11.398  -8.077   5.763
  318   HG22  ILE  35          HG22      ILE  35  -9.913  -7.432   5.084
  319   HG23  ILE  35          HG23      ILE  35 -11.499  -6.909   4.451
  320   HD11  ILE  35          HD11      ILE  35 -13.358  -9.181   5.366
  321   HD12  ILE  35          HD12      ILE  35 -14.078 -10.358   4.259
  322   HD13  ILE  35          HD13      ILE  35 -12.562 -10.754   5.095
  323    H    GLU  36           H        GLU  36 -11.457  -8.735   0.320
  324    HA   GLU  36           HA       GLU  36 -12.530  -5.965   0.533
  325    HB2  GLU  36           HB2      GLU  36 -11.093  -7.161  -1.842
  326    HB3  GLU  36           HB3      GLU  36 -12.321  -5.928  -2.078
  327    HG2  GLU  36           HG2      GLU  36  -9.809  -5.615  -0.384
  328    HG3  GLU  36           HG3      GLU  36 -10.058  -4.979  -1.998
  329    H    ARG  37           H        ARG  37 -14.490  -5.501  -0.268
  330    HA   ARG  37           HA       ARG  37 -16.425  -7.657  -0.537
  331    HB2  ARG  37           HB2      ARG  37 -16.953  -5.414   0.357
  332    HB3  ARG  37           HB3      ARG  37 -16.613  -4.686  -1.213
  333    HG2  ARG  37           HG2      ARG  37 -18.516  -5.787  -2.231
  334    HG3  ARG  37           HG3      ARG  37 -18.733  -6.842  -0.825
  335    HD2  ARG  37           HD2      ARG  37 -20.410  -5.050  -0.827
  336    HD3  ARG  37           HD3      ARG  37 -19.346  -4.964   0.578
  337    HE   ARG  37           HE       ARG  37 -18.398  -3.257  -1.579
  338   HH11  ARG  37          HH11      ARG  37 -20.842  -3.283   0.932
  339   HH12  ARG  37          HH12      ARG  37 -20.645  -1.562   1.235
  340   HH21  ARG  37          HH21      ARG  37 -19.225  -0.377   0.161
  341   HH22  ARG  37          HH22      ARG  37 -18.238  -1.052  -1.111
  342    H    TYR  38           H        TYR  38 -17.119  -8.699  -2.275
  343    HA   TYR  38           HA       TYR  38 -15.411  -9.007  -4.384
  344    HB2  TYR  38           HB2      TYR  38 -16.547 -10.834  -3.727
  345    HB3  TYR  38           HB3      TYR  38 -18.102 -10.021  -3.735
  346    HD1  TYR  38           HD1      TYR  38 -19.659 -10.579  -5.328
  347    HD2  TYR  38           HD2      TYR  38 -15.468 -11.236  -6.153
  348    HE1  TYR  38           HE1      TYR  38 -20.252 -11.764  -7.435
  349    HE2  TYR  38           HE2      TYR  38 -16.068 -12.395  -8.264
  350    HH   TYR  38           HH       TYR  38 -17.765 -13.104  -9.642
  351    H    LYS  39           H        LYS  39 -15.250  -8.780  -6.586
  352    HA   LYS  39           HA       LYS  39 -15.944  -6.170  -7.496
  353    HB2  LYS  39           HB2      LYS  39 -13.925  -7.502  -8.121
  354    HB3  LYS  39           HB3      LYS  39 -14.940  -8.540  -9.137
  355    HG2  LYS  39           HG2      LYS  39 -15.540  -6.591 -10.547
  356    HG3  LYS  39           HG3      LYS  39 -14.637  -5.517  -9.458
  357    HD2  LYS  39           HD2      LYS  39 -12.539  -6.777 -10.010
  358    HD3  LYS  39           HD3      LYS  39 -13.473  -7.759 -11.168
  359    HE2  LYS  39           HE2      LYS  39 -14.124  -5.659 -12.372
  360    HE3  LYS  39           HE3      LYS  39 -13.147  -4.716 -11.236
  361    HZ1  LYS  39           HZ1      LYS  39 -11.918  -5.185 -13.280
  362    HZ2  LYS  39           HZ2      LYS  39 -11.172  -5.930 -12.033
  363    HZ3  LYS  39           HZ3      LYS  39 -12.080  -6.795 -13.085
  364    H    GLY  40           H        GLY  40 -17.495  -9.283  -8.124
  365    HA2  GLY  40           HA2      GLY  40 -19.290  -8.305 -10.198
  366    HA3  GLY  40           HA3      GLY  40 -19.341  -9.870  -9.398
  367    H    GLU  41           H        GLU  41 -19.484  -8.149  -6.714
  368    HA   GLU  41           HA       GLU  41 -22.172  -7.023  -6.862
  369    HB2  GLU  41           HB2      GLU  41 -23.007  -9.145  -6.713
  370    HB3  GLU  41           HB3      GLU  41 -21.701  -9.760  -5.733
  371    HG2  GLU  41           HG2      GLU  41 -23.596  -7.693  -4.574
  372    HG3  GLU  41           HG3      GLU  41 -24.127  -9.353  -4.752
  373    H    LYS  42           H        LYS  42 -22.252  -5.315  -5.659
  374    HA   LYS  42           HA       LYS  42 -20.430  -4.928  -3.320
  375    HB2  LYS  42           HB2      LYS  42 -22.071  -2.965  -4.963
  376    HB3  LYS  42           HB3      LYS  42 -20.917  -2.523  -3.710
  377    HG2  LYS  42           HG2      LYS  42 -20.195  -3.890  -6.346
  378    HG3  LYS  42           HG3      LYS  42 -20.040  -2.172  -5.986
  379    HD2  LYS  42           HD2      LYS  42 -18.390  -2.668  -4.198
  380    HD3  LYS  42           HD3      LYS  42 -18.571  -4.400  -4.496
  381    HE2  LYS  42           HE2      LYS  42 -16.525  -3.600  -5.516
  382    HE3  LYS  42           HE3      LYS  42 -17.647  -4.183  -6.749
  383    HZ1  LYS  42           HZ1      LYS  42 -18.191  -1.858  -7.283
  384    HZ2  LYS  42           HZ2      LYS  42 -17.226  -1.299  -6.080
  385    HZ3  LYS  42           HZ3      LYS  42 -16.582  -2.060  -7.367
  386    H    GLN  43           H        GLN  43 -23.204  -6.312  -3.399
  387    HA   GLN  43           HA       GLN  43 -25.099  -4.540  -2.186
  388    HB2  GLN  43           HB2      GLN  43 -25.652  -6.426  -3.672
  389    HB3  GLN  43           HB3      GLN  43 -25.028  -7.562  -2.476
  390    HG2  GLN  43           HG2      GLN  43 -27.367  -7.608  -2.370
  391    HG3  GLN  43           HG3      GLN  43 -26.757  -6.905  -0.881
  392   HE21  GLN  43          HE21      GLN  43 -29.579  -4.718  -1.576
  393   HE22  GLN  43          HE22      GLN  43 -29.183  -6.251  -0.812
  394    H    LEU  44           H        LEU  44 -22.982  -7.090  -0.754
  395    HA   LEU  44           HA       LEU  44 -24.161  -6.915   1.842
  396    HB2  LEU  44           HB2      LEU  44 -21.387  -7.821   0.992
  397    HB3  LEU  44           HB3      LEU  44 -22.021  -8.015   2.618
  398    HG   LEU  44           HG       LEU  44 -23.105  -9.362   0.109
  399   HD11  LEU  44          HD11      LEU  44 -22.330 -11.404   1.333
  400   HD12  LEU  44          HD12      LEU  44 -20.995 -10.285   0.966
  401   HD13  LEU  44          HD13      LEU  44 -21.667 -10.375   2.609
  402   HD21  LEU  44          HD21      LEU  44 -25.004  -8.955   1.611
  403   HD22  LEU  44          HD22      LEU  44 -24.543 -10.654   1.688
  404   HD23  LEU  44          HD23      LEU  44 -24.072  -9.562   2.999
  405    HA   PRO  45           HA       PRO  45 -22.144  -3.321   3.688
  406    HB2  PRO  45           HB2      PRO  45 -22.369  -3.894   6.343
  407    HB3  PRO  45           HB3      PRO  45 -23.791  -3.512   5.334
  408    HG2  PRO  45           HG2      PRO  45 -22.743  -6.270   6.072
  409    HG3  PRO  45           HG3      PRO  45 -24.418  -5.646   6.240
  410    HD2  PRO  45           HD2      PRO  45 -23.637  -7.107   4.081
  411    HD3  PRO  45           HD3      PRO  45 -24.793  -5.751   3.916
  412    H    VAL  46           H        VAL  46 -20.155  -2.787   4.829
  413    HA   VAL  46           HA       VAL  46 -18.149  -5.011   4.911
  414    HB   VAL  46           HB       VAL  46 -18.092  -3.356   2.995
  415   HG11  VAL  46          HG11      VAL  46 -16.697  -1.559   5.028
  416   HG12  VAL  46          HG12      VAL  46 -16.933  -1.275   3.300
  417   HG13  VAL  46          HG13      VAL  46 -18.333  -1.276   4.387
  418   HG21  VAL  46          HG21      VAL  46 -16.214  -4.907   3.558
  419   HG22  VAL  46          HG22      VAL  46 -15.691  -3.380   2.830
  420   HG23  VAL  46          HG23      VAL  46 -15.513  -3.643   4.577
  421    H    LEU  47           H        LEU  47 -19.433  -2.566   6.944
  422    HA   LEU  47           HA       LEU  47 -18.844  -1.757   9.002
  423    HB2  LEU  47           HB2      LEU  47 -18.155  -4.705   9.205
  424    HB3  LEU  47           HB3      LEU  47 -18.015  -3.652  10.586
  425    HG   LEU  47           HG       LEU  47 -20.076  -4.913  10.628
  426   HD11  LEU  47          HD11      LEU  47 -19.942  -2.717  11.758
  427   HD12  LEU  47          HD12      LEU  47 -20.622  -1.934  10.308
  428   HD13  LEU  47          HD13      LEU  47 -21.581  -3.109  11.219
  429   HD21  LEU  47          HD21      LEU  47 -21.077  -3.257   8.290
  430   HD22  LEU  47          HD22      LEU  47 -20.570  -4.962   8.165
  431   HD23  LEU  47          HD23      LEU  47 -21.951  -4.495   9.190
  432    H    ASP  48           H        ASP  48 -17.023  -0.990   7.168
  433    HA   ASP  48           HA       ASP  48 -14.991  -0.117   6.857
  434    HB2  ASP  48           HB2      ASP  48 -15.407   0.411   9.791
  435    HB3  ASP  48           HB3      ASP  48 -14.135   1.170   8.839
  436    H    LYS  49           H        LYS  49 -14.624  -2.838   6.862
  437    HA   LYS  49           HA       LYS  49 -11.811  -3.046   7.871
  438    HB2  LYS  49           HB2      LYS  49 -14.055  -5.072   8.033
  439    HB3  LYS  49           HB3      LYS  49 -12.359  -5.515   8.245
  440    HG2  LYS  49           HG2      LYS  49 -12.096  -4.203  10.195
  441    HG3  LYS  49           HG3      LYS  49 -13.522  -3.237   9.863
  442    HD2  LYS  49           HD2      LYS  49 -14.985  -5.230  10.319
  443    HD3  LYS  49           HD3      LYS  49 -13.526  -6.117  10.794
  444    HE2  LYS  49           HE2      LYS  49 -14.403  -5.286  12.849
  445    HE3  LYS  49           HE3      LYS  49 -13.023  -4.270  12.455
  446    HZ1  LYS  49           HZ1      LYS  49 -14.565  -2.643  12.922
  447    HZ2  LYS  49           HZ2      LYS  49 -14.983  -2.810  11.340
  448    HZ3  LYS  49           HZ3      LYS  49 -15.871  -3.549  12.489
  449    H    THR  50           H        THR  50 -10.360  -3.297   6.455
  450    HA   THR  50           HA       THR  50 -10.852  -4.624   3.845
  451    HB   THR  50           HB       THR  50  -9.736  -2.886   2.679
  452    HG1  THR  50           HG1      THR  50  -9.048  -1.003   3.962
  453   HG21  THR  50          HG21      THR  50 -12.140  -2.389   3.257
  454   HG22  THR  50          HG22      THR  50 -11.562  -1.426   4.639
  455   HG23  THR  50          HG23      THR  50 -11.139  -0.958   2.979
  456    H    LYS  51           H        LYS  51  -8.584  -4.076   6.431
  457    HA   LYS  51           HA       LYS  51  -6.725  -6.103   5.238
  458    HB2  LYS  51           HB2      LYS  51  -5.958  -3.689   6.910
  459    HB3  LYS  51           HB3      LYS  51  -4.864  -4.943   6.315
  460    HG2  LYS  51           HG2      LYS  51  -5.115  -4.209   4.033
  461    HG3  LYS  51           HG3      LYS  51  -6.453  -3.131   4.437
  462    HD2  LYS  51           HD2      LYS  51  -4.333  -1.903   4.062
  463    HD3  LYS  51           HD3      LYS  51  -5.037  -1.647   5.667
  464    HE2  LYS  51           HE2      LYS  51  -3.449  -3.424   6.552
  465    HE3  LYS  51           HE3      LYS  51  -2.661  -3.452   4.972
  466    HZ1  LYS  51           HZ1      LYS  51  -1.709  -1.968   6.802
  467    HZ2  LYS  51           HZ2      LYS  51  -1.825  -1.260   5.349
  468    HZ3  LYS  51           HZ3      LYS  51  -2.946  -0.931   6.551
  469    H    PHE  52           H        PHE  52  -5.763  -7.512   6.714
  470    HA   PHE  52           HA       PHE  52  -6.538  -7.404   9.537
  471    HB2  PHE  52           HB2      PHE  52  -7.328  -9.665   7.720
  472    HB3  PHE  52           HB3      PHE  52  -7.152  -9.896   9.446
  473    HD1  PHE  52           HD1      PHE  52  -9.593  -9.804   7.219
  474    HD2  PHE  52           HD2      PHE  52  -8.391  -7.547  10.691
  475    HE1  PHE  52           HE1      PHE  52 -11.956  -9.207   7.664
  476    HE2  PHE  52           HE2      PHE  52 -10.753  -6.950  11.128
  477    HZ   PHE  52           HZ       PHE  52 -12.548  -7.815   9.622
  478    H    LEU  53           H        LEU  53  -5.384  -8.599  11.042
  479    HA   LEU  53           HA       LEU  53  -2.921  -9.971  10.059
  480    HB2  LEU  53           HB2      LEU  53  -3.221  -7.856  12.153
  481    HB3  LEU  53           HB3      LEU  53  -2.326  -9.270  12.652
  482    HG   LEU  53           HG       LEU  53  -0.709  -9.009  10.865
  483   HD11  LEU  53          HD11      LEU  53  -1.985  -7.953   9.082
  484   HD12  LEU  53          HD12      LEU  53  -2.264  -6.511  10.065
  485   HD13  LEU  53          HD13      LEU  53  -0.632  -6.918   9.512
  486   HD21  LEU  53          HD21      LEU  53  -1.134  -6.395  12.382
  487   HD22  LEU  53          HD22      LEU  53  -0.429  -7.873  13.072
  488   HD23  LEU  53          HD23      LEU  53   0.398  -7.029  11.765
  489    H    VAL  54           H        VAL  54  -2.780 -12.039  10.794
  490    HA   VAL  54           HA       VAL  54  -4.745 -12.920  12.868
  491    HB   VAL  54           HB       VAL  54  -4.209 -14.579  10.424
  492   HG11  VAL  54          HG11      VAL  54  -6.543 -14.499  12.391
  493   HG12  VAL  54          HG12      VAL  54  -6.312 -15.654  11.059
  494   HG13  VAL  54          HG13      VAL  54  -5.201 -15.666  12.438
  495   HG21  VAL  54          HG21      VAL  54  -6.477 -12.580  10.754
  496   HG22  VAL  54          HG22      VAL  54  -5.168 -12.493   9.549
  497   HG23  VAL  54          HG23      VAL  54  -6.334 -13.804   9.472
  498    HA   PRO  55           HA       PRO  55  -1.013 -14.931  14.407
  499    HB2  PRO  55           HB2      PRO  55  -2.011 -16.166  16.638
  500    HB3  PRO  55           HB3      PRO  55  -1.650 -14.422  16.551
  501    HG2  PRO  55           HG2      PRO  55  -4.327 -15.780  16.237
  502    HG3  PRO  55           HG3      PRO  55  -3.932 -14.299  17.156
  503    HD2  PRO  55           HD2      PRO  55  -5.028 -14.240  14.650
  504    HD3  PRO  55           HD3      PRO  55  -3.905 -12.981  15.234
  505    H    ASP  56           H        ASP  56  -0.086 -16.888  14.105
  506    HA   ASP  56           HA       ASP  56  -1.153 -18.480  12.139
  507    HB2  ASP  56           HB2      ASP  56   0.728 -20.072  12.605
  508    HB3  ASP  56           HB3      ASP  56   1.140 -18.387  12.319
  509    H    HIS  57           H        HIS  57  -1.676 -19.128  15.526
  510    HA   HIS  57           HA       HIS  57  -2.506 -21.862  15.261
  511    HB2  HIS  57           HB2      HIS  57  -3.262 -21.653  17.528
  512    HB3  HIS  57           HB3      HIS  57  -1.777 -20.740  17.376
  513    HD1  HIS  57           HD1      HIS  57  -5.586 -20.174  17.765
  514    HD2  HIS  57           HD2      HIS  57  -1.864 -18.219  18.177
  515    HE1  HIS  57           HE1      HIS  57  -6.079 -17.908  18.881
  516    HE2  HIS  57           HE2      HIS  57  -3.816 -16.715  19.137
  517    H    VAL  58           H        VAL  58  -4.188 -19.051  14.201
  518    HA   VAL  58           HA       VAL  58  -6.925 -19.895  14.744
  519    HB   VAL  58           HB       VAL  58  -5.713 -17.849  12.871
  520   HG11  VAL  58          HG11      VAL  58  -8.659 -18.379  13.429
  521   HG12  VAL  58          HG12      VAL  58  -8.031 -16.873  12.727
  522   HG13  VAL  58          HG13      VAL  58  -7.832 -18.390  11.850
  523   HG21  VAL  58          HG21      VAL  58  -6.599 -16.257  14.536
  524   HG22  VAL  58          HG22      VAL  58  -7.306 -17.590  15.473
  525   HG23  VAL  58          HG23      VAL  58  -5.543 -17.430  15.333
  526    H    ASN  59           H        ASN  59  -8.123 -21.384  13.675
  527    HA   ASN  59           HA       ASN  59  -7.277 -22.750  11.253
  528    HB2  ASN  59           HB2      ASN  59  -9.995 -22.624  12.653
  529    HB3  ASN  59           HB3      ASN  59  -9.550 -23.765  11.401
  530   HD21  ASN  59          HD21      ASN  59  -7.894 -25.940  13.651
  531   HD22  ASN  59          HD22      ASN  59  -8.272 -25.579  11.965
  532    H    MET  60           H        MET  60  -8.103 -22.485   9.090
  533    HA   MET  60           HA       MET  60  -8.831 -19.867   8.267
  534    HB2  MET  60           HB2      MET  60  -7.796 -21.615   6.851
  535    HB3  MET  60           HB3      MET  60  -9.300 -22.529   6.879
  536    HG2  MET  60           HG2      MET  60  -9.168 -21.331   4.794
  537    HG3  MET  60           HG3      MET  60 -10.452 -20.615   5.754
  538    HE1  MET  60           HE1      MET  60 -10.654 -18.096   6.034
  539    HE2  MET  60           HE2      MET  60  -9.756 -17.122   4.859
  540    HE3  MET  60           HE3      MET  60 -10.610 -18.583   4.318
  541    H    SER  61           H        SER  61 -10.978 -22.649   8.983
  542    HA   SER  61           HA       SER  61 -13.487 -21.403   8.481
  543    HB2  SER  61           HB2      SER  61 -14.322 -23.137  10.077
  544    HB3  SER  61           HB3      SER  61 -13.288 -23.786   8.797
  545    HG   SER  61           HG       SER  61 -12.791 -24.543  10.987
  546    H    GLU  62           H        GLU  62 -11.384 -21.300  11.375
  547    HA   GLU  62           HA       GLU  62 -13.279 -19.839  13.008
  548    HB2  GLU  62           HB2      GLU  62 -11.507 -21.213  14.003
  549    HB3  GLU  62           HB3      GLU  62 -10.279 -20.206  13.258
  550    HG2  GLU  62           HG2      GLU  62 -10.415 -19.633  15.555
  551    HG3  GLU  62           HG3      GLU  62 -10.988 -18.268  14.611
  552    H    LEU  63           H        LEU  63 -10.517 -18.777  10.951
  553    HA   LEU  63           HA       LEU  63 -10.825 -15.964  11.375
  554    HB2  LEU  63           HB2      LEU  63  -8.891 -16.863  10.198
  555    HB3  LEU  63           HB3      LEU  63  -9.916 -17.537   8.935
  556    HG   LEU  63           HG       LEU  63 -10.565 -15.227   8.226
  557   HD11  LEU  63          HD11      LEU  63  -9.170 -13.318   9.058
  558   HD12  LEU  63          HD12      LEU  63 -10.231 -13.976  10.311
  559   HD13  LEU  63          HD13      LEU  63  -8.505 -14.387  10.318
  560   HD21  LEU  63          HD21      LEU  63  -8.668 -16.428   7.178
  561   HD22  LEU  63          HD22      LEU  63  -8.470 -14.668   7.145
  562   HD23  LEU  63          HD23      LEU  63  -7.557 -15.640   8.327
  563    H    ILE  64           H        ILE  64 -12.433 -18.138   9.015
  564    HA   ILE  64           HA       ILE  64 -14.155 -16.168   7.858
  565    HB   ILE  64           HB       ILE  64 -14.274 -19.183   8.144
  566   HG12  ILE  64          HG12      ILE  64 -13.992 -17.260   5.808
  567   HG13  ILE  64          HG13      ILE  64 -12.658 -18.004   6.654
  568   HG21  ILE  64          HG21      ILE  64 -16.239 -19.256   6.645
  569   HG22  ILE  64          HG22      ILE  64 -16.645 -18.534   8.189
  570   HG23  ILE  64          HG23      ILE  64 -16.402 -17.486   6.767
  571   HD11  ILE  64          HD11      ILE  64 -12.957 -19.222   4.632
  572   HD12  ILE  64          HD12      ILE  64 -13.516 -20.268   5.952
  573   HD13  ILE  64          HD13      ILE  64 -14.690 -19.403   4.908
  574    H    LYS  65           H        LYS  65 -14.709 -18.217  10.749
  575    HA   LYS  65           HA       LYS  65 -17.284 -17.221  11.332
  576    HB2  LYS  65           HB2      LYS  65 -16.021 -19.244  12.291
  577    HB3  LYS  65           HB3      LYS  65 -15.295 -18.116  13.450
  578    HG2  LYS  65           HG2      LYS  65 -17.608 -17.443  14.162
  579    HG3  LYS  65           HG3      LYS  65 -18.272 -18.584  12.976
  580    HD2  LYS  65           HD2      LYS  65 -17.161 -20.467  14.169
  581    HD3  LYS  65           HD3      LYS  65 -16.485 -19.326  15.347
  582    HE2  LYS  65           HE2      LYS  65 -18.789 -18.642  16.002
  583    HE3  LYS  65           HE3      LYS  65 -19.463 -19.781  14.830
  584    HZ1  LYS  65           HZ1      LYS  65 -17.791 -20.550  17.175
  585    HZ2  LYS  65           HZ2      LYS  65 -19.408 -20.751  17.063
  586    HZ3  LYS  65           HZ3      LYS  65 -18.419 -21.602  16.088
  587    H    ILE  66           H        ILE  66 -14.125 -15.832  12.478
  588    HA   ILE  66           HA       ILE  66 -15.477 -13.727  13.929
  589    HB   ILE  66           HB       ILE  66 -13.381 -14.051  14.682
  590   HG12  ILE  66          HG12      ILE  66 -14.043 -11.618  14.507
  591   HG13  ILE  66          HG13      ILE  66 -12.372 -11.991  14.824
  592   HG21  ILE  66          HG21      ILE  66 -12.210 -15.142  12.933
  593   HG22  ILE  66          HG22      ILE  66 -12.180 -13.678  11.928
  594   HG23  ILE  66          HG23      ILE  66 -11.255 -13.759  13.438
  595   HD11  ILE  66          HD11      ILE  66 -13.427 -10.962  12.168
  596   HD12  ILE  66          HD12      ILE  66 -12.456 -10.098  13.358
  597   HD13  ILE  66          HD13      ILE  66 -11.748 -11.443  12.478
  598    H    ILE  67           H        ILE  67 -14.319 -13.759  10.510
  599    HA   ILE  67           HA       ILE  67 -15.264 -11.072  10.013
  600    HB   ILE  67           HB       ILE  67 -14.615 -13.413   8.211
  601   HG12  ILE  67          HG12      ILE  67 -13.095 -11.584   7.229
  602   HG13  ILE  67          HG13      ILE  67 -13.579 -10.559   8.579
  603   HG21  ILE  67          HG21      ILE  67 -15.807 -10.760   7.269
  604   HG22  ILE  67          HG22      ILE  67 -15.089 -12.001   6.224
  605   HG23  ILE  67          HG23      ILE  67 -16.570 -12.359   7.099
  606   HD11  ILE  67          HD11      ILE  67 -12.512 -12.193  10.135
  607   HD12  ILE  67          HD12      ILE  67 -12.078 -13.208   8.732
  608   HD13  ILE  67          HD13      ILE  67 -11.377 -11.600   8.920
  609    H    ARG  68           H        ARG  68 -16.959 -14.201   9.613
  610    HA   ARG  68           HA       ARG  68 -19.440 -13.183   8.703
  611    HB2  ARG  68           HB2      ARG  68 -18.680 -15.556   8.639
  612    HB3  ARG  68           HB3      ARG  68 -18.808 -15.646  10.389
  613    HG2  ARG  68           HG2      ARG  68 -20.653 -16.769   9.314
  614    HG3  ARG  68           HG3      ARG  68 -21.264 -15.420  10.267
  615    HD2  ARG  68           HD2      ARG  68 -21.936 -14.222   8.390
  616    HD3  ARG  68           HD3      ARG  68 -20.654 -14.869   7.377
  617    HE   ARG  68           HE       ARG  68 -21.852 -17.018   7.243
  618   HH11  ARG  68          HH11      ARG  68 -23.905 -14.365   8.275
  619   HH12  ARG  68          HH12      ARG  68 -25.281 -14.980   7.410
  620   HH21  ARG  68          HH21      ARG  68 -23.700 -17.744   6.167
  621   HH22  ARG  68          HH22      ARG  68 -25.096 -16.691   6.097
  622    H    ARG  69           H        ARG  69 -18.296 -13.517  12.060
  623    HA   ARG  69           HA       ARG  69 -20.841 -12.516  13.139
  624    HB2  ARG  69           HB2      ARG  69 -19.581 -14.268  14.315
  625    HB3  ARG  69           HB3      ARG  69 -18.194 -13.196  14.489
  626    HG2  ARG  69           HG2      ARG  69 -19.437 -13.351  16.589
  627    HG3  ARG  69           HG3      ARG  69 -19.483 -11.705  15.971
  628    HD2  ARG  69           HD2      ARG  69 -21.811 -12.256  14.999
  629    HD3  ARG  69           HD3      ARG  69 -21.702 -13.786  15.864
  630    HE   ARG  69           HE       ARG  69 -22.025 -12.691  17.889
  631   HH11  ARG  69          HH11      ARG  69 -21.582 -10.166  15.440
  632   HH12  ARG  69          HH12      ARG  69 -22.358  -8.977  16.453
  633   HH21  ARG  69          HH21      ARG  69 -22.927 -11.085  19.106
  634   HH22  ARG  69          HH22      ARG  69 -23.038  -9.469  18.484
  635    H    ARG  70           H        ARG  70 -17.670 -11.013  12.519
  636    HA   ARG  70           HA       ARG  70 -18.369  -8.483  13.851
  637    HB2  ARG  70           HB2      ARG  70 -16.243  -9.194  11.788
  638    HB3  ARG  70           HB3      ARG  70 -16.407  -7.594  12.503
  639    HG2  ARG  70           HG2      ARG  70 -15.837 -10.127  14.110
  640    HG3  ARG  70           HG3      ARG  70 -14.631  -8.991  13.514
  641    HD2  ARG  70           HD2      ARG  70 -14.866  -8.391  15.721
  642    HD3  ARG  70           HD3      ARG  70 -15.847  -7.189  14.871
  643    HE   ARG  70           HE       ARG  70 -17.349  -9.535  15.805
  644   HH11  ARG  70          HH11      ARG  70 -18.949  -9.198  17.368
  645   HH12  ARG  70          HH12      ARG  70 -18.830  -7.824  18.423
  646   HH21  ARG  70          HH21      ARG  70 -17.236  -6.344  18.211
  647   HH22  ARG  70          HH22      ARG  70 -15.944  -6.583  17.059
  648    H    LEU  71           H        LEU  71 -18.688  -9.663  10.505
  649    HA   LEU  71           HA       LEU  71 -19.978  -7.213   9.548
  650    HB2  LEU  71           HB2      LEU  71 -20.041 -10.091   8.537
  651    HB3  LEU  71           HB3      LEU  71 -20.784  -8.733   7.702
  652    HG   LEU  71           HG       LEU  71 -17.779  -8.990   8.224
  653   HD11  LEU  71          HD11      LEU  71 -19.408  -9.395   5.676
  654   HD12  LEU  71          HD12      LEU  71 -17.640  -9.487   5.817
  655   HD13  LEU  71          HD13      LEU  71 -18.650 -10.688   6.643
  656   HD21  LEU  71          HD21      LEU  71 -19.379  -7.020   6.540
  657   HD22  LEU  71          HD22      LEU  71 -18.416  -6.641   7.988
  658   HD23  LEU  71          HD23      LEU  71 -17.612  -7.187   6.519
  659    H    GLN  72           H        GLN  72 -22.237  -6.789   9.490
  660    HA   GLN  72           HA       GLN  72 -23.803  -8.137  11.529
  661    HB2  GLN  72           HB2      GLN  72 -24.362  -5.714   9.801
  662    HB3  GLN  72           HB3      GLN  72 -25.487  -6.355  11.013
  663    HG2  GLN  72           HG2      GLN  72 -23.766  -6.102  12.778
  664    HG3  GLN  72           HG3      GLN  72 -22.649  -5.396  11.613
  665   HE21  GLN  72          HE21      GLN  72 -24.285  -2.577  13.414
  666   HE22  GLN  72          HE22      GLN  72 -23.242  -3.919  13.865
  667    H    LEU  73           H        LEU  73 -23.441 -10.124  10.050
  668    HA   LEU  73           HA       LEU  73 -25.817 -10.561   8.270
  669    HB2  LEU  73           HB2      LEU  73 -22.933 -11.481   7.906
  670    HB3  LEU  73           HB3      LEU  73 -24.286 -11.998   6.901
  671    HG   LEU  73           HG       LEU  73 -23.299  -9.120   7.143
  672   HD11  LEU  73          HD11      LEU  73 -22.348  -9.450   4.926
  673   HD12  LEU  73          HD12      LEU  73 -21.670 -10.650   6.041
  674   HD13  LEU  73          HD13      LEU  73 -22.926 -11.138   4.888
  675   HD21  LEU  73          HD21      LEU  73 -24.711  -8.738   5.140
  676   HD22  LEU  73          HD22      LEU  73 -25.308 -10.407   5.234
  677   HD23  LEU  73          HD23      LEU  73 -25.686  -9.224   6.510
  678    H    ASN  74           H        ASN  74 -27.029 -11.509   9.861
  679    HA   ASN  74           HA       ASN  74 -26.207 -13.731  11.493
  680    HB2  ASN  74           HB2      ASN  74 -28.953 -12.770  10.570
  681    HB3  ASN  74           HB3      ASN  74 -28.704 -13.987  11.817
  682   HD21  ASN  74          HD21      ASN  74 -29.161 -10.581  13.372
  683   HD22  ASN  74          HD22      ASN  74 -30.052 -11.399  12.099
  684    H    ALA  75           H        ALA  75 -27.349 -15.920  11.361
  685    HA   ALA  75           HA       ALA  75 -26.296 -17.417   9.284
  686    HB1  ALA  75           HB1      ALA  75 -27.026 -18.249  11.501
  687    HB2  ALA  75           HB2      ALA  75 -28.726 -18.022  11.018
  688    HB3  ALA  75           HB3      ALA  75 -27.715 -19.224  10.189
  689    H    ASN  76           H        ASN  76 -29.539 -15.981   9.378
  690    HA   ASN  76           HA       ASN  76 -30.703 -17.308   7.137
  691    HB2  ASN  76           HB2      ASN  76 -31.924 -16.058   8.879
  692    HB3  ASN  76           HB3      ASN  76 -31.183 -14.546   8.356
  693   HD21  ASN  76          HD21      ASN  76 -33.502 -14.031   5.758
  694   HD22  ASN  76          HD22      ASN  76 -32.046 -13.458   6.578
  695    H    GLN  77           H        GLN  77 -28.369 -14.642   7.241
  696    HA   GLN  77           HA       GLN  77 -28.924 -13.732   4.508
  697    HB2  GLN  77           HB2      GLN  77 -26.548 -13.041   6.282
  698    HB3  GLN  77           HB3      GLN  77 -27.112 -12.185   4.855
  699    HG2  GLN  77           HG2      GLN  77 -28.395 -12.296   7.602
  700    HG3  GLN  77           HG3      GLN  77 -27.768 -10.895   6.741
  701   HE21  GLN  77          HE21      GLN  77 -30.739 -10.627   4.637
  702   HE22  GLN  77          HE22      GLN  77 -29.019 -10.271   4.658
  703    H    ALA  78           H        ALA  78 -27.873 -14.321   2.664
  704    HA   ALA  78           HA       ALA  78 -26.094 -16.608   2.645
  705    HB1  ALA  78           HB1      ALA  78 -27.725 -16.183   0.846
  706    HB2  ALA  78           HB2      ALA  78 -26.888 -14.671   0.428
  707    HB3  ALA  78           HB3      ALA  78 -26.070 -16.232   0.220
  708    H    PHE  79           H        PHE  79 -23.917 -16.675   2.589
  709    HA   PHE  79           HA       PHE  79 -22.277 -14.432   1.830
  710    HB2  PHE  79           HB2      PHE  79 -22.593 -13.523   3.916
  711    HB3  PHE  79           HB3      PHE  79 -22.595 -15.080   4.717
  712    HD1  PHE  79           HD1      PHE  79 -20.557 -12.247   3.778
  713    HD2  PHE  79           HD2      PHE  79 -20.428 -16.378   5.007
  714    HE1  PHE  79           HE1      PHE  79 -18.179 -11.982   4.462
  715    HE2  PHE  79           HE2      PHE  79 -18.057 -16.108   5.671
  716    HZ   PHE  79           HZ       PHE  79 -16.930 -13.907   5.402
  717    H    PHE  80           H        PHE  80 -20.255 -14.842   1.212
  718    HA   PHE  80           HA       PHE  80 -18.989 -17.434   1.899
  719    HB2  PHE  80           HB2      PHE  80 -19.290 -16.357  -0.927
  720    HB3  PHE  80           HB3      PHE  80 -18.240 -17.684  -0.452
  721    HD1  PHE  80           HD1      PHE  80 -19.138 -19.893   0.208
  722    HD2  PHE  80           HD2      PHE  80 -21.709 -16.682  -1.069
  723    HE1  PHE  80           HE1      PHE  80 -20.991 -21.512  -0.144
  724    HE2  PHE  80           HE2      PHE  80 -23.566 -18.298  -1.417
  725    HZ   PHE  80           HZ       PHE  80 -23.204 -20.718  -0.954
  726    H    LEU  81           H        LEU  81 -16.923 -17.210   2.519
  727    HA   LEU  81           HA       LEU  81 -15.443 -14.722   1.807
  728    HB2  LEU  81           HB2      LEU  81 -15.611 -15.415   4.187
  729    HB3  LEU  81           HB3      LEU  81 -14.774 -16.904   3.795
  730    HG   LEU  81           HG       LEU  81 -13.385 -15.206   4.924
  731   HD11  LEU  81          HD11      LEU  81 -11.413 -15.498   3.719
  732   HD12  LEU  81          HD12      LEU  81 -12.393 -16.919   3.319
  733   HD13  LEU  81          HD13      LEU  81 -12.223 -15.577   2.149
  734   HD21  LEU  81          HD21      LEU  81 -13.531 -13.532   2.383
  735   HD22  LEU  81          HD22      LEU  81 -14.353 -13.158   3.921
  736   HD23  LEU  81          HD23      LEU  81 -12.583 -13.196   3.838
  737    H    LEU  82           H        LEU  82 -14.143 -14.775   0.157
  738    HA   LEU  82           HA       LEU  82 -13.473 -17.337  -1.178
  739    HB2  LEU  82           HB2      LEU  82 -13.788 -14.571  -2.365
  740    HB3  LEU  82           HB3      LEU  82 -13.663 -16.087  -3.240
  741    HG   LEU  82           HG       LEU  82 -16.016 -15.181  -1.520
  742   HD11  LEU  82          HD11      LEU  82 -15.761 -13.977  -3.678
  743   HD12  LEU  82          HD12      LEU  82 -15.766 -15.537  -4.532
  744   HD13  LEU  82          HD13      LEU  82 -17.202 -14.993  -3.631
  745   HD21  LEU  82          HD21      LEU  82 -15.594 -17.707  -3.172
  746   HD22  LEU  82          HD22      LEU  82 -15.894 -17.602  -1.421
  747   HD23  LEU  82          HD23      LEU  82 -17.170 -17.162  -2.560
  748    H    VAL  83           H        VAL  83 -11.438 -17.778  -0.327
  749    HA   VAL  83           HA       VAL  83  -9.281 -15.774  -0.248
  750    HB   VAL  83           HB       VAL  83  -9.050 -18.779  -0.005
  751   HG11  VAL  83          HG11      VAL  83  -7.191 -16.509   0.818
  752   HG12  VAL  83          HG12      VAL  83  -6.935 -18.240   1.147
  753   HG13  VAL  83          HG13      VAL  83  -6.912 -17.654  -0.511
  754   HG21  VAL  83          HG21      VAL  83 -10.511 -18.035   1.784
  755   HG22  VAL  83          HG22      VAL  83  -8.899 -18.305   2.461
  756   HG23  VAL  83          HG23      VAL  83  -9.459 -16.649   2.133
  757    H    ASN  84           H        ASN  84  -7.875 -15.311  -1.896
  758    HA   ASN  84           HA       ASN  84  -7.380 -15.022  -4.126
  759    HB2  ASN  84           HB2      ASN  84  -5.925 -16.886  -3.226
  760    HB3  ASN  84           HB3      ASN  84  -6.998 -18.041  -4.014
  761   HD21  ASN  84          HD21      ASN  84  -4.223 -17.617  -6.333
  762   HD22  ASN  84          HD22      ASN  84  -4.597 -18.370  -4.766
  763    H    GLY  85           H        GLY  85 -10.057 -14.890  -3.859
  764    HA2  GLY  85           HA2      GLY  85 -11.946 -14.753  -5.137
  765    HA3  GLY  85           HA3      GLY  85 -11.058 -15.464  -6.483
  766    H    HIS  86           H        HIS  86 -10.984 -17.675  -3.852
  767    HA   HIS  86           HA       HIS  86 -13.440 -19.094  -4.826
  768    HB2  HIS  86           HB2      HIS  86 -10.650 -20.242  -4.469
  769    HB3  HIS  86           HB3      HIS  86 -12.102 -21.188  -4.806
  770    HD1  HIS  86           HD1      HIS  86  -9.660 -18.805  -6.578
  771    HD2  HIS  86           HD2      HIS  86 -13.299 -20.867  -7.237
  772    HE1  HIS  86           HE1      HIS  86 -10.090 -18.743  -9.120
  773    HE2  HIS  86           HE2      HIS  86 -12.309 -19.993  -9.512
  774    H    SER  87           H        SER  87 -14.573 -20.357  -3.420
  775    HA   SER  87           HA       SER  87 -14.641 -19.415  -0.755
  776    HB2  SER  87           HB2      SER  87 -16.609 -20.243  -1.910
  777    HB3  SER  87           HB3      SER  87 -15.932 -21.887  -1.932
  778    HG   SER  87           HG       SER  87 -17.329 -21.691  -0.183
  779    H    MET  88           H        MET  88 -13.992 -20.084   1.189
  780    HA   MET  88           HA       MET  88 -12.685 -22.761   1.489
  781    HB2  MET  88           HB2      MET  88 -11.643 -20.113   2.549
  782    HB3  MET  88           HB3      MET  88 -11.107 -21.680   3.141
  783    HG2  MET  88           HG2      MET  88 -10.614 -22.275   0.685
  784    HG3  MET  88           HG3      MET  88 -10.708 -20.531   0.390
  785    HE1  MET  88           HE1      MET  88  -8.190 -22.594  -0.139
  786    HE2  MET  88           HE2      MET  88  -8.210 -20.892  -0.640
  787    HE3  MET  88           HE3      MET  88  -6.845 -21.524   0.308
  788    H    VAL  89           H        VAL  89 -15.483 -21.612   2.225
  789    HA   VAL  89           HA       VAL  89 -15.582 -21.398   5.062
  790    HB   VAL  89           HB       VAL  89 -17.927 -21.453   4.952
  791   HG11  VAL  89          HG11      VAL  89 -16.864 -19.450   3.946
  792   HG12  VAL  89          HG12      VAL  89 -17.005 -20.190   2.332
  793   HG13  VAL  89          HG13      VAL  89 -18.459 -19.802   3.268
  794   HG21  VAL  89          HG21      VAL  89 -18.361 -23.459   3.648
  795   HG22  VAL  89          HG22      VAL  89 -19.205 -22.091   2.927
  796   HG23  VAL  89          HG23      VAL  89 -17.710 -22.695   2.183
  797    H    SER  90           H        SER  90 -15.341 -24.317   3.223
  798    HA   SER  90           HA       SER  90 -16.209 -26.040   5.454
  799    HB2  SER  90           HB2      SER  90 -15.778 -27.844   3.830
  800    HB3  SER  90           HB3      SER  90 -16.864 -26.602   3.185
  801    HG   SER  90           HG       SER  90 -15.203 -27.202   1.680
  802    H    VAL  91           H        VAL  91 -13.194 -24.561   4.619
  803    HA   VAL  91           HA       VAL  91 -11.667 -26.956   5.286
  804    HB   VAL  91           HB       VAL  91 -11.233 -25.432   3.277
  805   HG11  VAL  91          HG11      VAL  91  -9.511 -23.799   3.492
  806   HG12  VAL  91          HG12      VAL  91 -10.766 -23.367   4.670
  807   HG13  VAL  91          HG13      VAL  91  -9.269 -24.149   5.212
  808   HG21  VAL  91          HG21      VAL  91  -8.947 -26.577   4.934
  809   HG22  VAL  91          HG22      VAL  91  -9.982 -27.474   3.795
  810   HG23  VAL  91          HG23      VAL  91  -8.914 -26.201   3.201
  811    H    SER  92           H        SER  92 -10.676 -27.513   7.056
  812    HA   SER  92           HA       SER  92 -10.803 -25.744   9.389
  813    HB2  SER  92           HB2      SER  92 -11.497 -28.117   9.425
  814    HB3  SER  92           HB3      SER  92  -9.824 -28.606   9.109
  815    HG   SER  92           HG       SER  92 -10.403 -28.665  11.351
  816    H    THR  93           H        THR  93  -8.312 -26.467   7.109
  817    HA   THR  93           HA       THR  93  -6.089 -26.691   8.673
  818    HB   THR  93           HB       THR  93  -6.354 -27.021   6.177
  819    HG1  THR  93           HG1      THR  93  -4.172 -27.101   6.031
  820   HG21  THR  93          HG21      THR  93  -5.395 -25.347   4.722
  821   HG22  THR  93          HG22      THR  93  -6.731 -24.577   5.597
  822   HG23  THR  93          HG23      THR  93  -5.045 -24.271   6.084
  823    HA   PRO  94           HA       PRO  94  -5.046 -22.935  10.684
  824    HB2  PRO  94           HB2      PRO  94  -2.163 -23.567  10.041
  825    HB3  PRO  94           HB3      PRO  94  -2.891 -23.073  11.603
  826    HG2  PRO  94           HG2      PRO  94  -2.301 -25.667  11.169
  827    HG3  PRO  94           HG3      PRO  94  -3.889 -25.237  11.892
  828    HD2  PRO  94           HD2      PRO  94  -3.249 -25.859   8.999
  829    HD3  PRO  94           HD3      PRO  94  -4.555 -26.522  10.029
  830    H    ILE  95           H        ILE  95  -4.583 -20.766  10.318
  831    HA   ILE  95           HA       ILE  95  -4.675 -19.844   7.662
  832    HB   ILE  95           HB       ILE  95  -5.531 -18.642   9.643
  833   HG12  ILE  95          HG12      ILE  95  -4.933 -16.361   9.051
  834   HG13  ILE  95          HG13      ILE  95  -3.516 -16.894   8.154
  835   HG21  ILE  95          HG21      ILE  95  -4.039 -17.311  11.079
  836   HG22  ILE  95          HG22      ILE  95  -3.658 -19.021  11.224
  837   HG23  ILE  95          HG23      ILE  95  -2.614 -17.956  10.256
  838   HD11  ILE  95          HD11      ILE  95  -5.522 -16.288   6.751
  839   HD12  ILE  95          HD12      ILE  95  -4.918 -17.921   6.450
  840   HD13  ILE  95          HD13      ILE  95  -6.379 -17.687   7.438
  841    H    SER  96           H        SER  96  -1.811 -20.614   9.547
  842    HA   SER  96           HA       SER  96   0.141 -19.251   7.922
  843    HB2  SER  96           HB2      SER  96   1.695 -20.914   8.966
  844    HB3  SER  96           HB3      SER  96   0.723 -19.989  10.123
  845    HG   SER  96           HG       SER  96   0.792 -22.312  10.531
  846    H    GLU  97           H        GLU  97  -1.406 -22.485   7.662
  847    HA   GLU  97           HA       GLU  97   0.235 -23.335   5.415
  848    HB2  GLU  97           HB2      GLU  97  -0.913 -24.931   6.938
  849    HB3  GLU  97           HB3      GLU  97  -2.470 -24.308   6.417
  850    HG2  GLU  97           HG2      GLU  97  -2.116 -26.361   5.302
  851    HG3  GLU  97           HG3      GLU  97  -2.030 -25.088   4.101
  852    H    VAL  98           H        VAL  98  -2.994 -21.819   5.720
  853    HA   VAL  98           HA       VAL  98  -3.442 -21.565   2.885
  854    HB   VAL  98           HB       VAL  98  -4.538 -19.654   4.948
  855   HG11  VAL  98          HG11      VAL  98  -5.606 -20.616   2.254
  856   HG12  VAL  98          HG12      VAL  98  -6.403 -19.462   3.345
  857   HG13  VAL  98          HG13      VAL  98  -4.884 -19.028   2.558
  858   HG21  VAL  98          HG21      VAL  98  -6.541 -21.180   4.958
  859   HG22  VAL  98          HG22      VAL  98  -5.567 -22.400   4.123
  860   HG23  VAL  98          HG23      VAL  98  -5.125 -21.859   5.765
  861    H    TYR  99           H        TYR  99  -1.729 -19.416   5.187
  862    HA   TYR  99           HA       TYR  99  -1.032 -17.435   3.302
  863    HB2  TYR  99           HB2      TYR  99  -0.664 -16.810   5.449
  864    HB3  TYR  99           HB3      TYR  99   0.150 -18.286   5.887
  865    HD1  TYR  99           HD1      TYR  99   0.571 -15.042   4.106
  866    HD2  TYR  99           HD2      TYR  99   2.523 -18.582   5.632
  867    HE1  TYR  99           HE1      TYR  99   2.799 -13.970   3.793
  868    HE2  TYR  99           HE2      TYR  99   4.737 -17.512   5.285
  869    HH   TYR  99           HH       TYR  99   5.868 -15.620   4.618
  870    H    GLU 100           H        GLU 100   0.940 -20.332   4.070
  871    HA   GLU 100           HA       GLU 100   2.896 -19.751   2.120
  872    HB2  GLU 100           HB2      GLU 100   3.302 -21.351   3.865
  873    HB3  GLU 100           HB3      GLU 100   1.934 -22.334   3.372
  874    HG2  GLU 100           HG2      GLU 100   3.982 -23.425   2.778
  875    HG3  GLU 100           HG3      GLU 100   3.054 -23.033   1.338
  876    H    SER 101           H        SER 101  -0.248 -21.306   1.746
  877    HA   SER 101           HA       SER 101   0.190 -22.141  -1.019
  878    HB2  SER 101           HB2      SER 101  -2.343 -21.970   0.660
  879    HB3  SER 101           HB3      SER 101  -2.212 -22.715  -0.941
  880    HG   SER 101           HG       SER 101  -0.985 -23.533   1.488
  881    H    GLU 102           H        GLU 102  -1.402 -19.308   0.482
  882    HA   GLU 102           HA       GLU 102  -2.188 -18.317  -2.234
  883    HB2  GLU 102           HB2      GLU 102  -3.692 -17.966   0.374
  884    HB3  GLU 102           HB3      GLU 102  -4.229 -17.472  -1.220
  885    HG2  GLU 102           HG2      GLU 102  -3.860 -20.331  -0.234
  886    HG3  GLU 102           HG3      GLU 102  -5.376 -19.486  -0.455
  887    H    LYS 103           H        LYS 103   0.121 -17.454  -0.100
  888    HA   LYS 103           HA       LYS 103  -0.280 -14.593  -0.015
  889    HB2  LYS 103           HB2      LYS 103   2.059 -14.411   0.534
  890    HB3  LYS 103           HB3      LYS 103   1.328 -15.713   1.458
  891    HG2  LYS 103           HG2      LYS 103   2.300 -17.344  -0.290
  892    HG3  LYS 103           HG3      LYS 103   3.162 -15.950  -0.966
  893    HD2  LYS 103           HD2      LYS 103   4.117 -15.590   1.397
  894    HD3  LYS 103           HD3      LYS 103   3.492 -17.188   1.801
  895    HE2  LYS 103           HE2      LYS 103   5.436 -16.534  -0.469
  896    HE3  LYS 103           HE3      LYS 103   5.922 -17.130   1.116
  897    HZ1  LYS 103           HZ1      LYS 103   5.766 -18.874  -0.634
  898    HZ2  LYS 103           HZ2      LYS 103   4.896 -19.234   0.682
  899    HZ3  LYS 103           HZ3      LYS 103   4.144 -18.701  -0.694
  900    H    ASP 104           H        ASP 104   0.295 -12.974  -1.383
  901    HA   ASP 104           HA       ASP 104   1.106 -13.670  -4.172
  902    HB2  ASP 104           HB2      ASP 104  -0.958 -12.317  -3.714
  903    HB3  ASP 104           HB3      ASP 104   0.076 -11.070  -3.015
  904    H    GLU 105           H        GLU 105   2.548 -11.791  -5.118
  905    HA   GLU 105           HA       GLU 105   5.133 -12.190  -4.042
  906    HB2  GLU 105           HB2      GLU 105   4.131 -10.224  -6.138
  907    HB3  GLU 105           HB3      GLU 105   5.842 -10.573  -5.819
  908    HG2  GLU 105           HG2      GLU 105   5.423 -12.985  -6.311
  909    HG3  GLU 105           HG3      GLU 105   3.765 -12.580  -6.774
  910    H    ASP 106           H        ASP 106   2.924  -9.766  -3.020
  911    HA   ASP 106           HA       ASP 106   4.975  -7.907  -1.989
  912    HB2  ASP 106           HB2      ASP 106   3.066  -6.737  -0.967
  913    HB3  ASP 106           HB3      ASP 106   2.917  -6.900  -2.708
  914    H    GLY 107           H        GLY 107   3.472 -10.821  -1.047
  915    HA2  GLY 107           HA2      GLY 107   4.002 -12.141   0.830
  916    HA3  GLY 107           HA3      GLY 107   4.483 -10.712   1.741
  917    H    PHE 108           H        PHE 108   1.532  -9.903   0.287
  918    HA   PHE 108           HA       PHE 108   0.005 -10.488   2.719
  919    HB2  PHE 108           HB2      PHE 108  -0.541  -8.840   0.300
  920    HB3  PHE 108           HB3      PHE 108  -1.888  -9.474   1.192
  921    HD1  PHE 108           HD1      PHE 108   0.563  -6.833   1.078
  922    HD2  PHE 108           HD2      PHE 108  -2.167  -8.955   3.630
  923    HE1  PHE 108           HE1      PHE 108   0.556  -4.925   2.674
  924    HE2  PHE 108           HE2      PHE 108  -2.181  -7.049   5.229
  925    HZ   PHE 108           HZ       PHE 108  -0.792  -5.037   4.754
  926    H    LEU 109           H        LEU 109  -1.639 -11.884   3.057
  927    HA   LEU 109           HA       LEU 109  -2.180 -13.950   0.998
  928    HB2  LEU 109           HB2      LEU 109  -1.841 -14.319   3.547
  929    HB3  LEU 109           HB3      LEU 109  -3.462 -13.667   3.727
  930    HG   LEU 109           HG       LEU 109  -2.611 -16.200   2.259
  931   HD11  LEU 109          HD11      LEU 109  -2.735 -16.270   4.747
  932   HD12  LEU 109          HD12      LEU 109  -4.404 -15.702   4.680
  933   HD13  LEU 109          HD13      LEU 109  -3.971 -17.294   4.012
  934   HD21  LEU 109          HD21      LEU 109  -5.107 -16.644   2.070
  935   HD22  LEU 109          HD22      LEU 109  -5.363 -14.899   2.362
  936   HD23  LEU 109          HD23      LEU 109  -4.451 -15.471   0.939
  937    H    TYR 110           H        TYR 110  -3.785 -13.611  -0.497
  938    HA   TYR 110           HA       TYR 110  -5.613 -11.372  -0.049
  939    HB2  TYR 110           HB2      TYR 110  -4.738 -12.751  -2.539
  940    HB3  TYR 110           HB3      TYR 110  -6.175 -11.741  -2.512
  941    HD1  TYR 110           HD1      TYR 110  -6.064  -9.347  -2.431
  942    HD2  TYR 110           HD2      TYR 110  -2.514 -11.721  -1.779
  943    HE1  TYR 110           HE1      TYR 110  -4.659  -7.282  -2.463
  944    HE2  TYR 110           HE2      TYR 110  -1.137  -9.654  -1.778
  945    HH   TYR 110           HH       TYR 110  -1.126  -7.413  -1.877
  946    H    MET 111           H        MET 111  -7.673 -11.266   0.371
  947    HA   MET 111           HA       MET 111  -9.401 -13.593  -0.296
  948    HB2  MET 111           HB2      MET 111  -9.657 -12.079   2.333
  949    HB3  MET 111           HB3      MET 111 -10.471 -13.556   1.833
  950    HG2  MET 111           HG2      MET 111  -8.187 -14.684   1.828
  951    HG3  MET 111           HG3      MET 111  -7.545 -13.228   2.593
  952    HE1  MET 111           HE1      MET 111  -7.333 -16.261   3.501
  953    HE2  MET 111           HE2      MET 111  -6.534 -14.956   4.415
  954    HE3  MET 111           HE3      MET 111  -7.546 -16.143   5.257
  955    H    VAL 112           H        VAL 112 -11.520 -13.094  -0.816
  956    HA   VAL 112           HA       VAL 112 -12.446 -10.315  -0.512
  957    HB   VAL 112           HB       VAL 112 -13.433 -10.122  -2.659
  958   HG11  VAL 112          HG11      VAL 112 -11.525  -9.974  -4.133
  959   HG12  VAL 112          HG12      VAL 112 -11.020  -9.506  -2.503
  960   HG13  VAL 112          HG13      VAL 112 -10.595 -11.112  -3.141
  961   HG21  VAL 112          HG21      VAL 112 -14.102 -12.399  -3.140
  962   HG22  VAL 112          HG22      VAL 112 -13.129 -11.769  -4.468
  963   HG23  VAL 112          HG23      VAL 112 -12.396 -12.895  -3.309
  964    H    TYR 113           H        TYR 113 -14.961 -10.217  -0.537
  965    HA   TYR 113           HA       TYR 113 -16.113 -12.911   0.162
  966    HB2  TYR 113           HB2      TYR 113 -16.931 -12.230   2.233
  967    HB3  TYR 113           HB3      TYR 113 -15.289 -11.614   2.240
  968    HD1  TYR 113           HD1      TYR 113 -18.816 -10.775   2.438
  969    HD2  TYR 113           HD2      TYR 113 -14.883  -9.141   1.768
  970    HE1  TYR 113           HE1      TYR 113 -19.693  -8.480   2.857
  971    HE2  TYR 113           HE2      TYR 113 -15.778  -6.845   2.159
  972    HH   TYR 113           HH       TYR 113 -19.109  -6.266   3.185
  973    H    ALA 114           H        ALA 114 -18.372 -13.010  -0.005
  974    HA   ALA 114           HA       ALA 114 -19.793 -10.895  -1.542
  975    HB1  ALA 114           HB1      ALA 114 -18.272 -12.283  -3.088
  976    HB2  ALA 114           HB2      ALA 114 -19.224 -13.694  -2.630
  977    HB3  ALA 114           HB3      ALA 114 -19.998 -12.335  -3.479
  978    H    SER 115           H        SER 115 -22.018 -11.479  -2.024
  979    HA   SER 115           HA       SER 115 -23.420 -13.121  -0.041
  980    HB2  SER 115           HB2      SER 115 -24.403 -11.087  -0.997
  981    HB3  SER 115           HB3      SER 115 -24.313 -11.778  -2.624
  982    HG   SER 115           HG       SER 115 -26.414 -12.006  -1.672
  983    H    GLN 116           H        GLN 116 -22.161 -13.559  -3.264
  984    HA   GLN 116           HA       GLN 116 -22.771 -16.460  -3.332
  985    HB2  GLN 116           HB2      GLN 116 -23.650 -16.331  -5.542
  986    HB3  GLN 116           HB3      GLN 116 -24.580 -15.238  -4.531
  987    HG2  GLN 116           HG2      GLN 116 -22.473 -14.441  -6.591
  988    HG3  GLN 116           HG3      GLN 116 -24.211 -14.324  -6.773
  989   HE21  GLN 116          HE21      GLN 116 -22.230 -11.476  -4.534
  990   HE22  GLN 116          HE22      GLN 116 -21.376 -12.902  -5.163
  991    H    GLU 117           H        GLU 117 -21.164 -17.686  -4.452
  992    HA   GLU 117           HA       GLU 117 -18.565 -16.474  -4.631
  993    HB2  GLU 117           HB2      GLU 117 -18.944 -18.780  -3.987
  994    HB3  GLU 117           HB3      GLU 117 -19.564 -19.174  -5.600
  995    HG2  GLU 117           HG2      GLU 117 -17.399 -18.887  -6.594
  996    HG3  GLU 117           HG3      GLU 117 -16.769 -18.076  -5.161
  997    H    THR 118           H        THR 118 -21.045 -16.901  -7.065
  998    HA   THR 118           HA       THR 118 -19.594 -15.199  -8.930
  999    HB   THR 118           HB       THR 118 -18.640 -17.332  -9.589
 1000    HG1  THR 118           HG1      THR 118 -19.143 -17.148 -11.722
 1001   HG21  THR 118          HG21      THR 118 -20.430 -18.909  -8.856
 1002   HG22  THR 118          HG22      THR 118 -21.489 -18.298 -10.144
 1003   HG23  THR 118          HG23      THR 118 -19.982 -19.147 -10.551
 1004    H    PHE 119           H        PHE 119 -20.942 -14.302 -10.548
 1005    HA   PHE 119           HA       PHE 119 -23.802 -14.337  -9.991
 1006    HB2  PHE 119           HB2      PHE 119 -23.920 -12.743 -11.966
 1007    HB3  PHE 119           HB3      PHE 119 -23.165 -12.231 -10.474
 1008    HD1  PHE 119           HD1      PHE 119 -22.459 -13.332 -13.958
 1009    HD2  PHE 119           HD2      PHE 119 -20.831 -11.609 -10.356
 1010    HE1  PHE 119           HE1      PHE 119 -20.391 -12.699 -15.190
 1011    HE2  PHE 119           HE2      PHE 119 -18.772 -10.970 -11.593
 1012    HZ   PHE 119           HZ       PHE 119 -18.548 -11.517 -14.009
 1013    H    GLY 120           H        GLY 120 -21.870 -16.319 -11.884
 1014    HA2  GLY 120           HA2      GLY 120 -22.463 -18.219 -13.090
 1015    HA3  GLY 120           HA3      GLY 120 -24.168 -17.816 -12.887
 1016    H1   ASP  10           H1       ASP  10  -8.581  -1.162  20.671
 1017    H2   ASP  10           H2       ASP  10  -7.286  -2.160  20.500
 1018    H3   ASP  10           H3       ASP  10  -7.215  -0.886  21.540
 1019    HA   ASP  10           HA       ASP  10  -7.340   0.694  19.789
 1020    HB2  ASP  10           HB2      ASP  10  -5.127  -1.336  19.426
 1021    HB3  ASP  10           HB3      ASP  10  -5.175   0.211  18.588
 1022    H    TYR  11           H        TYR  11  -6.776   1.000  17.337
 1023    HA   TYR  11           HA       TYR  11  -9.213   0.236  16.155
 1024    HB2  TYR  11           HB2      TYR  11  -8.306   1.484  14.113
 1025    HB3  TYR  11           HB3      TYR  11  -8.669   2.320  15.608
 1026    HD1  TYR  11           HD1      TYR  11  -5.833   0.908  13.605
 1027    HD2  TYR  11           HD2      TYR  11  -7.031   3.602  16.768
 1028    HE1  TYR  11           HE1      TYR  11  -3.533   1.879  13.660
 1029    HE2  TYR  11           HE2      TYR  11  -4.734   4.552  16.821
 1030    HH   TYR  11           HH       TYR  11  -2.612   4.496  15.927
 1031    H    GLU  12           H        GLU  12  -9.938  -0.762  14.422
 1032    HA   GLU  12           HA       GLU  12  -8.529  -3.127  13.457
 1033    HB2  GLU  12           HB2      GLU  12 -10.511  -3.430  12.056
 1034    HB3  GLU  12           HB3      GLU  12 -10.913  -3.266  13.758
 1035    HG2  GLU  12           HG2      GLU  12 -11.060  -0.805  12.001
 1036    HG3  GLU  12           HG3      GLU  12 -12.253  -2.068  11.776
 1037    H    SER  13           H        SER  13  -8.299  -3.552  11.165
 1038    HA   SER  13           HA       SER  13  -7.378  -3.310   9.130
 1039    HB2  SER  13           HB2      SER  13  -9.849  -2.924   9.142
 1040    HB3  SER  13           HB3      SER  13  -9.522  -1.200   8.927
 1041    HG   SER  13           HG       SER  13  -8.450  -1.714   6.964
 1042    H    ASP  14           H        ASP  14  -6.829  -0.163  10.686
 1043    HA   ASP  14           HA       ASP  14  -6.096   1.125   8.279
 1044    HB2  ASP  14           HB2      ASP  14  -6.890   2.237  10.353
 1045    HB3  ASP  14           HB3      ASP  14  -5.303   1.980  11.069
 1046    H    ASP  15           H        ASP  15  -3.411   1.366  10.633
 1047    HA   ASP  15           HA       ASP  15  -1.668  -0.375   9.120
 1048    HB2  ASP  15           HB2      ASP  15  -0.113   1.209   8.246
 1049    HB3  ASP  15           HB3      ASP  15  -1.694   1.572   7.612
 1050    H    ASP  16           H        ASP  16   0.738   0.159   9.738
 1051    HA   ASP  16           HA       ASP  16   2.333  -0.065  11.239
 1052    HB2  ASP  16           HB2      ASP  16   1.052   2.446  12.253
 1053    HB3  ASP  16           HB3      ASP  16   2.565   1.814  12.887
 1054    H    SER  17           H        SER  17   1.164   1.027  14.204
 1055    HA   SER  17           HA       SER  17   1.797  -1.544  15.373
 1056    HB2  SER  17           HB2      SER  17   1.476  -0.326  17.511
 1057    HB3  SER  17           HB3      SER  17   2.592   0.483  16.402
 1058    HG   SER  17           HG       SER  17   1.083   1.964  17.327
 1059    H    TYR  18           H        TYR  18  -0.883  -0.991  13.809
 1060    HA   TYR  18           HA       TYR  18  -3.016  -1.095  15.540
 1061    HB2  TYR  18           HB2      TYR  18  -4.378  -1.927  13.654
 1062    HB3  TYR  18           HB3      TYR  18  -3.462  -0.473  13.405
 1063    HD1  TYR  18           HD1      TYR  18  -4.633  -1.367  11.210
 1064    HD2  TYR  18           HD2      TYR  18  -1.025  -3.052  12.819
 1065    HE1  TYR  18           HE1      TYR  18  -4.044  -2.275   8.955
 1066    HE2  TYR  18           HE2      TYR  18  -0.444  -3.934  10.593
 1067    HH   TYR  18           HH       TYR  18  -1.099  -4.161   8.290
 1068    H    GLU  19           H        GLU  19  -4.529  -2.496  16.364
 1069    HA   GLU  19           HA       GLU  19  -3.694  -5.298  16.829
 1070    HB2  GLU  19           HB2      GLU  19  -6.046  -3.615  17.732
 1071    HB3  GLU  19           HB3      GLU  19  -5.974  -5.367  18.013
 1072    HG2  GLU  19           HG2      GLU  19  -3.828  -5.146  19.188
 1073    HG3  GLU  19           HG3      GLU  19  -3.830  -3.401  18.925
 1074    H    VAL  20           H        VAL  20  -5.723  -3.595  14.618
 1075    HA   VAL  20           HA       VAL  20  -6.663  -4.065  12.736
 1076    HB   VAL  20           HB       VAL  20  -5.435  -6.690  12.182
 1077   HG11  VAL  20          HG11      VAL  20  -4.941  -5.562  10.065
 1078   HG12  VAL  20          HG12      VAL  20  -6.649  -5.330  10.489
 1079   HG13  VAL  20          HG13      VAL  20  -5.485  -4.016  10.729
 1080   HG21  VAL  20          HG21      VAL  20  -3.244  -5.442  11.692
 1081   HG22  VAL  20          HG22      VAL  20  -3.829  -4.236  12.830
 1082   HG23  VAL  20          HG23      VAL  20  -3.556  -5.888  13.375
 1083    H    LEU  21           H        LEU  21  -6.902  -7.162  14.442
 1084    HA   LEU  21           HA       LEU  21  -9.175  -8.051  12.775
 1085    HB2  LEU  21           HB2      LEU  21  -7.105  -9.394  13.546
 1086    HB3  LEU  21           HB3      LEU  21  -7.818  -9.382  15.145
 1087    HG   LEU  21           HG       LEU  21  -9.815 -10.645  14.178
 1088   HD11  LEU  21          HD11      LEU  21  -9.639 -10.054  11.806
 1089   HD12  LEU  21          HD12      LEU  21  -8.002 -10.742  11.723
 1090   HD13  LEU  21          HD13      LEU  21  -9.403 -11.794  11.978
 1091   HD21  LEU  21          HD21      LEU  21  -7.077 -11.908  13.809
 1092   HD22  LEU  21          HD22      LEU  21  -7.966 -11.783  15.342
 1093   HD23  LEU  21          HD23      LEU  21  -8.619 -12.778  14.027
 1094    H    ASP  22           H        ASP  22  -8.980  -6.105  15.466
 1095    HA   ASP  22           HA       ASP  22 -10.168  -5.578  17.234
 1096    HB2  ASP  22           HB2      ASP  22 -11.783  -4.775  15.848
 1097    HB3  ASP  22           HB3      ASP  22 -12.358  -6.365  15.379
 1098    H    LEU  23           H        LEU  23 -11.110  -8.888  16.455
 1099    HA   LEU  23           HA       LEU  23 -11.584  -9.867  19.098
 1100    HB2  LEU  23           HB2      LEU  23 -12.294 -11.123  17.170
 1101    HB3  LEU  23           HB3      LEU  23 -10.678 -11.078  16.472
 1102    HG   LEU  23           HG       LEU  23  -9.856 -12.592  18.271
 1103   HD11  LEU  23          HD11      LEU  23 -12.821 -12.904  18.925
 1104   HD12  LEU  23          HD12      LEU  23 -11.489 -13.877  19.591
 1105   HD13  LEU  23          HD13      LEU  23 -11.619 -12.166  19.997
 1106   HD21  LEU  23          HD21      LEU  23 -10.511 -13.459  16.061
 1107   HD22  LEU  23          HD22      LEU  23 -10.786 -14.625  17.349
 1108   HD23  LEU  23          HD23      LEU  23 -12.165 -13.724  16.671
 1109    H    THR  24           H        THR  24 -10.248 -10.589  20.696
 1110    HA   THR  24           HA       THR  24  -7.567  -9.966  20.931
 1111    HB   THR  24           HB       THR  24  -8.610 -12.319  22.447
 1112    HG1  THR  24           HG1      THR  24  -9.815 -10.926  23.752
 1113   HG21  THR  24          HG21      THR  24  -7.091  -9.793  23.248
 1114   HG22  THR  24          HG22      THR  24  -7.586 -11.084  24.361
 1115   HG23  THR  24          HG23      THR  24  -6.409 -11.432  23.094
 1116    H    GLU  25           H        GLU  25  -5.567 -11.026  20.903
 1117    HA   GLU  25           HA       GLU  25  -5.201 -12.796  18.709
 1118    HB2  GLU  25           HB2      GLU  25  -2.850 -12.766  19.320
 1119    HB3  GLU  25           HB3      GLU  25  -3.548 -11.148  19.369
 1120    HG2  GLU  25           HG2      GLU  25  -3.699 -11.248  21.830
 1121    HG3  GLU  25           HG3      GLU  25  -3.094 -12.903  21.818
 1122    H    TYR  26           H        TYR  26  -6.183 -13.730  21.807
 1123    HA   TYR  26           HA       TYR  26  -5.632 -16.523  21.162
 1124    HB2  TYR  26           HB2      TYR  26  -4.844 -15.312  23.778
 1125    HB3  TYR  26           HB3      TYR  26  -5.258 -17.009  23.631
 1126    HD1  TYR  26           HD1      TYR  26  -4.054 -18.442  21.836
 1127    HD2  TYR  26           HD2      TYR  26  -2.595 -14.653  23.289
 1128    HE1  TYR  26           HE1      TYR  26  -1.762 -19.012  21.033
 1129    HE2  TYR  26           HE2      TYR  26  -0.308 -15.220  22.487
 1130    HH   TYR  26           HH       TYR  26   1.021 -16.788  21.455
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1 -11.708  -0.935   6.095
    2    H2   MET   1           H2       MET   1 -10.146  -1.055   6.646
    3    H3   MET   1           H3       MET   1 -11.377  -1.363   7.645
    4    HA   MET   1           HA       MET   1 -10.432   0.746   8.159
    5    HB2  MET   1           HB2      MET   1  -9.522   1.259   5.937
    6    HB3  MET   1           HB3      MET   1 -11.151   1.486   5.292
    7    HG2  MET   1           HG2      MET   1 -10.098   3.628   5.766
    8    HG3  MET   1           HG3      MET   1 -11.503   3.414   6.799
    9    HE1  MET   1           HE1      MET   1  -9.295   5.666   7.294
   10    HE2  MET   1           HE2      MET   1 -10.693   5.427   8.372
   11    HE3  MET   1           HE3      MET   1  -9.059   5.537   9.048
   12    HA   PRO   2           HA       PRO   2 -14.739   0.662   9.167
   13    HB2  PRO   2           HB2      PRO   2 -14.746   1.709  11.658
   14    HB3  PRO   2           HB3      PRO   2 -13.992   0.124  11.258
   15    HG2  PRO   2           HG2      PRO   2 -12.587   2.823  11.412
   16    HG3  PRO   2           HG3      PRO   2 -12.176   1.314  12.305
   17    HD2  PRO   2           HD2      PRO   2 -10.933   1.885   9.981
   18    HD3  PRO   2           HD3      PRO   2 -11.489   0.220  10.334
   19    H    SER   3           H        SER   3 -13.060   3.776   8.917
   20    HA   SER   3           HA       SER   3 -15.431   5.367   9.263
   21    HB2  SER   3           HB2      SER   3 -12.809   6.120   7.944
   22    HB3  SER   3           HB3      SER   3 -14.106   7.232   8.421
   23    HG   SER   3           HG       SER   3 -12.581   7.150  10.080
   24    H    GLU   4           H        GLU   4 -13.574   4.971   6.171
   25    HA   GLU   4           HA       GLU   4 -16.064   4.986   4.588
   26    HB2  GLU   4           HB2      GLU   4 -13.997   7.225   4.552
   27    HB3  GLU   4           HB3      GLU   4 -15.126   6.964   3.240
   28    HG2  GLU   4           HG2      GLU   4 -15.867   7.711   6.088
   29    HG3  GLU   4           HG3      GLU   4 -15.803   8.787   4.701
   30    H    LYS   5           H        LYS   5 -15.871   4.352   2.512
   31    HA   LYS   5           HA       LYS   5 -15.156   3.363   0.627
   32    HB2  LYS   5           HB2      LYS   5 -12.695   5.062   1.158
   33    HB3  LYS   5           HB3      LYS   5 -13.020   4.248  -0.366
   34    HG2  LYS   5           HG2      LYS   5 -15.155   5.473  -0.600
   35    HG3  LYS   5           HG3      LYS   5 -14.819   6.353   0.907
   36    HD2  LYS   5           HD2      LYS   5 -12.694   7.214  -0.108
   37    HD3  LYS   5           HD3      LYS   5 -13.122   6.446  -1.636
   38    HE2  LYS   5           HE2      LYS   5 -14.772   8.583  -0.198
   39    HE3  LYS   5           HE3      LYS   5 -13.644   8.905  -1.510
   40    HZ1  LYS   5           HZ1      LYS   5 -15.028   7.498  -2.969
   41    HZ2  LYS   5           HZ2      LYS   5 -16.113   7.253  -1.762
   42    HZ3  LYS   5           HZ3      LYS   5 -15.886   8.742  -2.375
   43    H    THR   6           H        THR   6 -13.396   2.154  -0.585
   44    HA   THR   6           HA       THR   6 -12.729  -0.248   0.886
   45    HB   THR   6           HB       THR   6 -12.141  -1.279  -1.039
   46    HG1  THR   6           HG1      THR   6 -11.434  -0.157  -2.897
   47   HG21  THR   6          HG21      THR   6 -13.732  -0.804  -2.768
   48   HG22  THR   6          HG22      THR   6 -14.524  -0.462  -1.227
   49   HG23  THR   6          HG23      THR   6 -13.928   0.878  -2.241
   50    H    PHE   7           H        PHE   7 -10.463  -1.285   0.638
   51    HA   PHE   7           HA       PHE   7  -8.835   0.307   2.334
   52    HB2  PHE   7           HB2      PHE   7  -8.906  -1.926   2.801
   53    HB3  PHE   7           HB3      PHE   7  -8.522  -2.409   1.163
   54    HD1  PHE   7           HD1      PHE   7  -6.545  -3.616   1.084
   55    HD2  PHE   7           HD2      PHE   7  -6.848  -0.267   3.775
   56    HE1  PHE   7           HE1      PHE   7  -4.294  -4.121   1.979
   57    HE2  PHE   7           HE2      PHE   7  -4.588  -0.758   4.653
   58    HZ   PHE   7           HZ       PHE   7  -3.297  -2.701   3.749
   59    H    LYS   8           H        LYS   8  -8.785   0.307  -1.059
   60    HA   LYS   8           HA       LYS   8  -6.183   1.343  -1.587
   61    HB2  LYS   8           HB2      LYS   8  -7.806   0.597  -3.286
   62    HB3  LYS   8           HB3      LYS   8  -8.903   1.899  -2.843
   63    HG2  LYS   8           HG2      LYS   8  -7.820   2.399  -4.921
   64    HG3  LYS   8           HG3      LYS   8  -7.323   3.578  -3.709
   65    HD2  LYS   8           HD2      LYS   8  -5.169   2.330  -3.400
   66    HD3  LYS   8           HD3      LYS   8  -5.660   1.178  -4.642
   67    HE2  LYS   8           HE2      LYS   8  -5.272   4.187  -5.037
   68    HE3  LYS   8           HE3      LYS   8  -4.069   2.958  -5.417
   69    HZ1  LYS   8           HZ1      LYS   8  -5.276   3.574  -7.409
   70    HZ2  LYS   8           HZ2      LYS   8  -5.641   2.024  -7.063
   71    HZ3  LYS   8           HZ3      LYS   8  -6.724   3.216  -6.748
   72    H    GLN   9           H        GLN   9  -8.916   2.882  -0.002
   73    HA   GLN   9           HA       GLN   9  -8.044   5.604  -0.191
   74    HB2  GLN   9           HB2      GLN   9 -10.305   4.788   0.423
   75    HB3  GLN   9           HB3      GLN   9  -9.699   4.218   1.977
   76    HG2  GLN   9           HG2      GLN   9  -9.210   7.117   1.280
   77    HG3  GLN   9           HG3      GLN   9 -10.874   6.638   1.554
   78   HE21  GLN   9          HE21      GLN   9 -10.405   6.003   5.075
   79   HE22  GLN   9          HE22      GLN   9 -11.355   5.421   3.716
   80    H    ARG  10           H        ARG  10  -7.101   2.977   2.020
   81    HA   ARG  10           HA       ARG  10  -5.335   4.801   3.599
   82    HB2  ARG  10           HB2      ARG  10  -6.197   1.914   3.975
   83    HB3  ARG  10           HB3      ARG  10  -4.937   2.656   4.952
   84    HG2  ARG  10           HG2      ARG  10  -7.815   3.665   4.813
   85    HG3  ARG  10           HG3      ARG  10  -7.156   2.590   6.041
   86    HD2  ARG  10           HD2      ARG  10  -7.015   4.636   7.112
   87    HD3  ARG  10           HD3      ARG  10  -5.382   4.441   6.477
   88    HE   ARG  10           HE       ARG  10  -7.417   5.981   4.882
   89   HH11  ARG  10          HH11      ARG  10  -7.016   7.914   4.238
   90   HH12  ARG  10          HH12      ARG  10  -5.640   8.840   4.822
   91   HH21  ARG  10          HH21      ARG  10  -4.244   7.897   6.312
   92   HH22  ARG  10          HH22      ARG  10  -4.542   6.282   6.884
   93    H    ARG  11           H        ARG  11  -4.967   1.900   1.519
   94    HA   ARG  11           HA       ARG  11  -2.017   2.482   1.478
   95    HB2  ARG  11           HB2      ARG  11  -3.498  -0.142   1.913
   96    HB3  ARG  11           HB3      ARG  11  -1.800  -0.090   1.479
   97    HG2  ARG  11           HG2      ARG  11  -2.942   1.138   4.020
   98    HG3  ARG  11           HG3      ARG  11  -2.124  -0.421   3.879
   99    HD2  ARG  11           HD2      ARG  11  -0.127   0.830   2.919
  100    HD3  ARG  11           HD3      ARG  11  -0.894   2.329   3.459
  101    HE   ARG  11           HE       ARG  11   0.075   0.046   5.163
  102   HH11  ARG  11          HH11      ARG  11  -1.012   3.420   5.246
  103   HH12  ARG  11          HH12      ARG  11  -0.247   3.646   6.798
  104   HH21  ARG  11          HH21      ARG  11   1.094   0.494   6.944
  105   HH22  ARG  11          HH22      ARG  11   0.793   2.016   7.801
  106    H    THR  12           H        THR  12  -0.743   1.718  -0.092
  107    HA   THR  12           HA       THR  12  -1.897   0.804  -2.659
  108    HB   THR  12           HB       THR  12  -0.620   2.211  -3.980
  109    HG1  THR  12           HG1      THR  12   1.059   3.493  -3.155
  110   HG21  THR  12          HG21      THR  12  -1.286   4.074  -1.658
  111   HG22  THR  12          HG22      THR  12  -1.127   4.489  -3.375
  112   HG23  THR  12          HG23      THR  12  -2.479   3.486  -2.840
  113    H    PHE  13           H        PHE  13  -0.167  -0.248  -4.119
  114    HA   PHE  13           HA       PHE  13   0.868  -2.454  -2.820
  115    HB2  PHE  13           HB2      PHE  13   0.537  -2.723  -5.056
  116    HB3  PHE  13           HB3      PHE  13   1.413  -1.262  -5.489
  117    HD1  PHE  13           HD1      PHE  13   3.839  -1.210  -5.741
  118    HD2  PHE  13           HD2      PHE  13   1.794  -4.829  -4.588
  119    HE1  PHE  13           HE1      PHE  13   5.888  -2.519  -6.218
  120    HE2  PHE  13           HE2      PHE  13   3.850  -6.138  -5.063
  121    HZ   PHE  13           HZ       PHE  13   5.901  -4.988  -5.883
  122    H    GLU  14           H        GLU  14   2.914   0.398  -3.552
  123    HA   GLU  14           HA       GLU  14   5.301  -0.748  -2.449
  124    HB2  GLU  14           HB2      GLU  14   5.266   1.168  -3.955
  125    HB3  GLU  14           HB3      GLU  14   4.436   2.155  -2.735
  126    HG2  GLU  14           HG2      GLU  14   6.373   2.003  -1.241
  127    HG3  GLU  14           HG3      GLU  14   7.188   0.911  -2.369
  128    H    GLN  15           H        GLN  15   2.660   1.116  -0.900
  129    HA   GLN  15           HA       GLN  15   3.993   1.233   1.693
  130    HB2  GLN  15           HB2      GLN  15   1.065   1.616   0.992
  131    HB3  GLN  15           HB3      GLN  15   1.844   2.064   2.513
  132    HG2  GLN  15           HG2      GLN  15   2.390   3.287  -0.229
  133    HG3  GLN  15           HG3      GLN  15   1.493   4.027   1.084
  134   HE21  GLN  15          HE21      GLN  15   5.073   5.306   1.009
  135   HE22  GLN  15          HE22      GLN  15   3.855   5.147  -0.249
  136    H    ARG  16           H        ARG  16   1.826  -1.115   0.125
  137    HA   ARG  16           HA       ARG  16   1.520  -2.731   2.557
  138    HB2  ARG  16           HB2      ARG  16   0.977  -3.380  -0.354
  139    HB3  ARG  16           HB3      ARG  16   0.650  -4.471   1.012
  140    HG2  ARG  16           HG2      ARG  16  -0.747  -2.620   2.065
  141    HG3  ARG  16           HG3      ARG  16  -0.572  -1.718   0.551
  142    HD2  ARG  16           HD2      ARG  16  -1.852  -4.445   0.873
  143    HD3  ARG  16           HD3      ARG  16  -2.706  -2.910   0.696
  144    HE   ARG  16           HE       ARG  16  -0.913  -4.134  -1.411
  145   HH11  ARG  16          HH11      ARG  16  -2.801  -3.242  -4.000
  146   HH12  ARG  16          HH12      ARG  16  -1.389  -4.080  -3.352
  147   HH21  ARG  16          HH21      ARG  16  -3.853  -2.253  -0.837
  148   HH22  ARG  16          HH22      ARG  16  -4.188  -2.202  -2.543
  149    H    VAL  17           H        VAL  17   3.797  -2.788  -0.183
  150    HA   VAL  17           HA       VAL  17   5.307  -5.085   0.655
  151    HB   VAL  17           HB       VAL  17   6.034  -2.602  -0.925
  152   HG11  VAL  17          HG11      VAL  17   8.126  -3.783  -1.586
  153   HG12  VAL  17          HG12      VAL  17   8.142  -3.287   0.111
  154   HG13  VAL  17          HG13      VAL  17   7.829  -4.986  -0.311
  155   HG21  VAL  17          HG21      VAL  17   4.526  -4.328  -1.964
  156   HG22  VAL  17          HG22      VAL  17   6.080  -4.173  -2.795
  157   HG23  VAL  17          HG23      VAL  17   5.782  -5.543  -1.704
  158    H    GLU  18           H        GLU  18   5.506  -1.591   1.678
  159    HA   GLU  18           HA       GLU  18   7.519  -2.155   3.677
  160    HB2  GLU  18           HB2      GLU  18   5.503   0.102   3.450
  161    HB3  GLU  18           HB3      GLU  18   6.654  -0.023   4.774
  162    HG2  GLU  18           HG2      GLU  18   7.361   0.206   1.824
  163    HG3  GLU  18           HG3      GLU  18   7.427   1.495   3.025
  164    H    ASP  19           H        ASP  19   3.888  -2.008   4.033
  165    HA   ASP  19           HA       ASP  19   3.920  -2.746   6.736
  166    HB2  ASP  19           HB2      ASP  19   1.807  -3.175   4.647
  167    HB3  ASP  19           HB3      ASP  19   1.629  -3.807   6.269
  168    H    VAL  20           H        VAL  20   4.059  -5.099   4.024
  169    HA   VAL  20           HA       VAL  20   4.012  -7.334   5.827
  170    HB   VAL  20           HB       VAL  20   3.481  -7.602   3.458
  171   HG11  VAL  20          HG11      VAL  20   5.289  -6.291   2.437
  172   HG12  VAL  20          HG12      VAL  20   6.496  -7.487   2.964
  173   HG13  VAL  20          HG13      VAL  20   5.234  -7.924   1.801
  174   HG21  VAL  20          HG21      VAL  20   5.756  -9.377   4.447
  175   HG22  VAL  20          HG22      VAL  20   4.049  -9.509   4.928
  176   HG23  VAL  20          HG23      VAL  20   4.528  -9.803   3.250
  177    H    ARG  21           H        ARG  21   6.769  -5.483   4.473
  178    HA   ARG  21           HA       ARG  21   8.879  -6.986   5.704
  179    HB2  ARG  21           HB2      ARG  21   9.328  -5.418   3.946
  180    HB3  ARG  21           HB3      ARG  21   8.567  -4.089   4.818
  181    HG2  ARG  21           HG2      ARG  21  10.380  -4.085   6.485
  182    HG3  ARG  21           HG3      ARG  21  11.162  -5.445   5.645
  183    HD2  ARG  21           HD2      ARG  21  11.453  -4.079   3.642
  184    HD3  ARG  21           HD3      ARG  21  10.506  -2.770   4.338
  185    HE   ARG  21           HE       ARG  21  13.210  -3.670   5.268
  186   HH11  ARG  21          HH11      ARG  21  14.549  -2.171   6.173
  187   HH12  ARG  21          HH12      ARG  21  14.046  -0.514   6.316
  188   HH21  ARG  21          HH21      ARG  21  10.910  -0.964   4.973
  189   HH22  ARG  21          HH22      ARG  21  12.057   0.131   5.693
  190    H    LEU  22           H        LEU  22   7.066  -4.170   6.890
  191    HA   LEU  22           HA       LEU  22   8.389  -3.989   9.431
  192    HB2  LEU  22           HB2      LEU  22   5.713  -2.976   8.402
  193    HB3  LEU  22           HB3      LEU  22   6.361  -2.554   9.988
  194    HG   LEU  22           HG       LEU  22   7.947  -2.002   7.463
  195   HD11  LEU  22          HD11      LEU  22   6.024  -0.115   8.880
  196   HD12  LEU  22          HD12      LEU  22   7.098   0.289   7.512
  197   HD13  LEU  22          HD13      LEU  22   5.765  -0.847   7.281
  198   HD21  LEU  22          HD21      LEU  22   9.034  -0.305   8.883
  199   HD22  LEU  22          HD22      LEU  22   8.024  -0.806  10.260
  200   HD23  LEU  22          HD23      LEU  22   9.218  -1.923   9.565
  201    H    ILE  23           H        ILE  23   5.188  -5.548   8.609
  202    HA   ILE  23           HA       ILE  23   4.827  -6.387  11.316
  203    HB   ILE  23           HB       ILE  23   3.139  -6.071   9.399
  204   HG12  ILE  23          HG12      ILE  23   2.315  -6.469  11.538
  205   HG13  ILE  23          HG13      ILE  23   1.494  -7.536  10.417
  206   HG21  ILE  23          HG21      ILE  23   3.469  -9.069   9.025
  207   HG22  ILE  23          HG22      ILE  23   2.323  -7.952   8.239
  208   HG23  ILE  23          HG23      ILE  23   4.054  -7.838   7.897
  209   HD11  ILE  23          HD11      ILE  23   3.537  -8.296  12.516
  210   HD12  ILE  23          HD12      ILE  23   1.838  -8.752  12.432
  211   HD13  ILE  23          HD13      ILE  23   2.974  -9.434  11.257
  212    H    ARG  24           H        ARG  24   6.400  -8.066   8.556
  213    HA   ARG  24           HA       ARG  24   6.966 -10.547   9.888
  214    HB2  ARG  24           HB2      ARG  24   8.413  -8.980   7.728
  215    HB3  ARG  24           HB3      ARG  24   9.042 -10.501   8.322
  216    HG2  ARG  24           HG2      ARG  24   6.224 -10.276   7.196
  217    HG3  ARG  24           HG3      ARG  24   7.649 -10.545   6.186
  218    HD2  ARG  24           HD2      ARG  24   8.178 -12.575   7.577
  219    HD3  ARG  24           HD3      ARG  24   6.604 -12.378   8.376
  220    HE   ARG  24           HE       ARG  24   5.909 -12.363   5.729
  221   HH11  ARG  24          HH11      ARG  24   7.816 -14.731   7.530
  222   HH12  ARG  24          HH12      ARG  24   7.414 -15.989   6.387
  223   HH21  ARG  24          HH21      ARG  24   5.441 -14.083   4.391
  224   HH22  ARG  24          HH22      ARG  24   6.098 -15.666   4.767
  225    H    GLU  25           H        GLU  25   8.684  -7.416  10.106
  226    HA   GLU  25           HA       GLU  25  10.660  -8.492  11.979
  227    HB2  GLU  25           HB2      GLU  25   9.900  -5.675  11.161
  228    HB3  GLU  25           HB3      GLU  25  11.135  -6.012  12.361
  229    HG2  GLU  25           HG2      GLU  25  11.188  -7.035   9.486
  230    HG3  GLU  25           HG3      GLU  25  12.001  -5.582  10.052
  231    H    GLN  26           H        GLN  26   7.562  -6.735  12.384
  232    HA   GLN  26           HA       GLN  26   7.827  -6.216  15.180
  233    HB2  GLN  26           HB2      GLN  26   5.373  -6.580  13.437
  234    HB3  GLN  26           HB3      GLN  26   5.290  -6.016  15.101
  235    HG2  GLN  26           HG2      GLN  26   6.222  -3.949  14.634
  236    HG3  GLN  26           HG3      GLN  26   7.037  -4.502  13.177
  237   HE21  GLN  26          HE21      GLN  26   2.995  -4.122  12.475
  238   HE22  GLN  26          HE22      GLN  26   3.511  -5.169  13.783
  239    H    HIS  27           H        HIS  27   6.001  -8.840  13.550
  240    HA   HIS  27           HA       HIS  27   5.984 -10.507  16.031
  241    HB2  HIS  27           HB2      HIS  27   3.441  -9.523  14.662
  242    HB3  HIS  27           HB3      HIS  27   3.514 -10.708  15.961
  243    HD1  HIS  27           HD1      HIS  27   5.086  -9.392  18.222
  244    HD2  HIS  27           HD2      HIS  27   2.398  -7.380  15.651
  245    HE1  HIS  27           HE1      HIS  27   4.244  -7.336  19.515
  246    HE2  HIS  27           HE2      HIS  27   2.621  -6.108  17.944
  247    HA   PRO  28           HA       PRO  28   6.637 -12.856  12.113
  248    HB2  PRO  28           HB2      PRO  28   8.065 -14.662  14.062
  249    HB3  PRO  28           HB3      PRO  28   8.548 -14.166  12.405
  250    HG2  PRO  28           HG2      PRO  28   9.708 -12.986  14.553
  251    HG3  PRO  28           HG3      PRO  28   9.174 -11.967  13.180
  252    HD2  PRO  28           HD2      PRO  28   7.740 -12.478  15.782
  253    HD3  PRO  28           HD3      PRO  28   8.050 -10.931  14.934
  254    H    THR  29           H        THR  29   5.244 -13.925  15.174
  255    HA   THR  29           HA       THR  29   3.965 -16.312  14.172
  256    HB   THR  29           HB       THR  29   2.850 -16.476  16.213
  257    HG1  THR  29           HG1      THR  29   2.697 -14.721  17.646
  258   HG21  THR  29          HG21      THR  29   4.538 -16.264  17.910
  259   HG22  THR  29          HG22      THR  29   5.367 -16.700  16.408
  260   HG23  THR  29          HG23      THR  29   5.413 -15.019  17.003
  261    H    LYS  30           H        LYS  30   3.219 -13.079  13.444
  262    HA   LYS  30           HA       LYS  30   0.346 -13.749  12.986
  263    HB2  LYS  30           HB2      LYS  30   1.706 -11.063  13.301
  264    HB3  LYS  30           HB3      LYS  30   0.032 -11.272  12.742
  265    HG2  LYS  30           HG2      LYS  30  -0.543 -12.496  14.805
  266    HG3  LYS  30           HG3      LYS  30   1.124 -12.332  15.386
  267    HD2  LYS  30           HD2      LYS  30   0.885  -9.899  15.543
  268    HD3  LYS  30           HD3      LYS  30  -0.702  -9.970  14.774
  269    HE2  LYS  30           HE2      LYS  30  -1.017  -9.676  17.155
  270    HE3  LYS  30           HE3      LYS  30  -1.607 -11.268  16.674
  271    HZ1  LYS  30           HZ1      LYS  30  -0.365 -11.481  18.699
  272    HZ2  LYS  30           HZ2      LYS  30   0.538 -12.205  17.558
  273    HZ3  LYS  30           HZ3      LYS  30   0.952 -10.706  18.110
  274    H    ILE  31           H        ILE  31  -0.648 -13.512  11.166
  275    HA   ILE  31           HA       ILE  31   1.010 -13.736   8.723
  276    HB   ILE  31           HB       ILE  31  -1.683 -14.922   9.471
  277   HG12  ILE  31          HG12      ILE  31   0.047 -15.903  10.872
  278   HG13  ILE  31          HG13      ILE  31  -0.506 -17.057   9.677
  279   HG21  ILE  31          HG21      ILE  31  -1.597 -14.744   7.085
  280   HG22  ILE  31          HG22      ILE  31   0.091 -15.282   7.053
  281   HG23  ILE  31          HG23      ILE  31  -1.200 -16.419   7.490
  282   HD11  ILE  31          HD11      ILE  31   1.916 -17.204   9.976
  283   HD12  ILE  31          HD12      ILE  31   1.547 -16.684   8.326
  284   HD13  ILE  31          HD13      ILE  31   2.120 -15.509   9.532
  285    HA   PRO  32           HA       PRO  32  -1.236 -10.131   7.362
  286    HB2  PRO  32           HB2      PRO  32   0.169  -9.492   5.131
  287    HB3  PRO  32           HB3      PRO  32   0.905  -9.465   6.759
  288    HG2  PRO  32           HG2      PRO  32   0.999 -11.673   4.686
  289    HG3  PRO  32           HG3      PRO  32   2.375 -10.941   5.571
  290    HD2  PRO  32           HD2      PRO  32   1.159 -13.265   6.374
  291    HD3  PRO  32           HD3      PRO  32   1.864 -12.092   7.523
  292    H    VAL  33           H        VAL  33  -3.220  -9.839   6.471
  293    HA   VAL  33           HA       VAL  33  -3.973 -11.297   3.980
  294    HB   VAL  33           HB       VAL  33  -6.014 -12.135   5.104
  295   HG11  VAL  33          HG11      VAL  33  -3.509 -13.134   6.553
  296   HG12  VAL  33          HG12      VAL  33  -5.037 -13.989   6.346
  297   HG13  VAL  33          HG13      VAL  33  -4.006 -13.650   4.937
  298   HG21  VAL  33          HG21      VAL  33  -5.902 -10.496   7.043
  299   HG22  VAL  33          HG22      VAL  33  -6.256 -12.173   7.488
  300   HG23  VAL  33          HG23      VAL  33  -4.623 -11.479   7.738
  301    H    ILE  34           H        ILE  34  -5.742 -10.421   2.825
  302    HA   ILE  34           HA       ILE  34  -6.805  -7.748   3.721
  303    HB   ILE  34           HB       ILE  34  -5.808  -8.536   0.956
  304   HG12  ILE  34          HG12      ILE  34  -4.786  -6.307   2.768
  305   HG13  ILE  34          HG13      ILE  34  -4.073  -7.907   2.712
  306   HG21  ILE  34          HG21      ILE  34  -7.159  -5.960   1.905
  307   HG22  ILE  34          HG22      ILE  34  -6.378  -6.167   0.328
  308   HG23  ILE  34          HG23      ILE  34  -7.795  -7.117   0.712
  309   HD11  ILE  34          HD11      ILE  34  -4.154  -5.995   0.366
  310   HD12  ILE  34          HD12      ILE  34  -2.752  -6.489   1.332
  311   HD13  ILE  34          HD13      ILE  34  -3.575  -7.677   0.316
  312    H    ILE  35           H        ILE  35  -9.000  -7.459   3.433
  313    HA   ILE  35           HA       ILE  35 -10.491  -9.599   1.990
  314    HB   ILE  35           HB       ILE  35 -10.823 -10.047   4.284
  315   HG12  ILE  35          HG12      ILE  35 -13.314  -8.717   3.132
  316   HG13  ILE  35          HG13      ILE  35 -12.734 -10.352   2.781
  317   HG21  ILE  35          HG21      ILE  35 -11.671  -8.545   5.940
  318   HG22  ILE  35          HG22      ILE  35 -10.362  -7.675   5.167
  319   HG23  ILE  35          HG23      ILE  35 -12.063  -7.311   4.735
  320   HD11  ILE  35          HD11      ILE  35 -12.896 -10.817   5.299
  321   HD12  ILE  35          HD12      ILE  35 -13.785  -9.289   5.435
  322   HD13  ILE  35          HD13      ILE  35 -14.447 -10.592   4.448
  323    H    GLU  36           H        GLU  36 -11.749  -8.941   0.387
  324    HA   GLU  36           HA       GLU  36 -12.617  -6.077   0.312
  325    HB2  GLU  36           HB2      GLU  36 -10.604  -6.150  -0.974
  326    HB3  GLU  36           HB3      GLU  36 -11.078  -7.650  -1.759
  327    HG2  GLU  36           HG2      GLU  36 -11.205  -5.863  -3.331
  328    HG3  GLU  36           HG3      GLU  36 -12.809  -6.501  -3.048
  329    H    ARG  37           H        ARG  37 -14.666  -5.744  -0.259
  330    HA   ARG  37           HA       ARG  37 -16.479  -7.951  -0.689
  331    HB2  ARG  37           HB2      ARG  37 -17.239  -5.961   0.441
  332    HB3  ARG  37           HB3      ARG  37 -16.825  -4.944  -0.943
  333    HG2  ARG  37           HG2      ARG  37 -18.606  -5.913  -2.292
  334    HG3  ARG  37           HG3      ARG  37 -18.883  -7.180  -1.095
  335    HD2  ARG  37           HD2      ARG  37 -20.636  -5.562  -0.975
  336    HD3  ARG  37           HD3      ARG  37 -19.699  -5.512   0.526
  337    HE   ARG  37           HE       ARG  37 -18.562  -3.534  -1.110
  338   HH11  ARG  37          HH11      ARG  37 -21.807  -4.036   0.142
  339   HH12  ARG  37          HH12      ARG  37 -22.156  -2.326   0.131
  340   HH21  ARG  37          HH21      ARG  37 -19.059  -1.358  -0.987
  341   HH22  ARG  37          HH22      ARG  37 -20.618  -0.862  -0.422
  342    H    TYR  38           H        TYR  38 -17.309  -8.823  -2.509
  343    HA   TYR  38           HA       TYR  38 -15.849  -8.734  -4.852
  344    HB2  TYR  38           HB2      TYR  38 -16.944 -10.694  -4.445
  345    HB3  TYR  38           HB3      TYR  38 -18.496  -9.915  -4.207
  346    HD1  TYR  38           HD1      TYR  38 -20.107 -10.035  -5.906
  347    HD2  TYR  38           HD2      TYR  38 -15.931 -10.525  -6.884
  348    HE1  TYR  38           HE1      TYR  38 -20.701 -10.543  -8.283
  349    HE2  TYR  38           HE2      TYR  38 -16.535 -11.006  -9.245
  350    HH   TYR  38           HH       TYR  38 -18.240 -11.252 -10.776
  351    H    LYS  39           H        LYS  39 -15.713  -7.755  -6.736
  352    HA   LYS  39           HA       LYS  39 -16.692  -5.103  -6.874
  353    HB2  LYS  39           HB2      LYS  39 -15.381  -6.856  -8.998
  354    HB3  LYS  39           HB3      LYS  39 -15.682  -5.126  -9.195
  355    HG2  LYS  39           HG2      LYS  39 -14.291  -4.631  -7.204
  356    HG3  LYS  39           HG3      LYS  39 -13.943  -6.358  -7.010
  357    HD2  LYS  39           HD2      LYS  39 -12.898  -6.406  -9.261
  358    HD3  LYS  39           HD3      LYS  39 -13.251  -4.675  -9.462
  359    HE2  LYS  39           HE2      LYS  39 -11.849  -4.177  -7.458
  360    HE3  LYS  39           HE3      LYS  39 -11.501  -5.898  -7.269
  361    HZ1  LYS  39           HZ1      LYS  39 -10.737  -4.256  -9.639
  362    HZ2  LYS  39           HZ2      LYS  39  -9.714  -4.754  -8.472
  363    HZ3  LYS  39           HZ3      LYS  39 -10.409  -5.847  -9.466
  364    H    GLY  40           H        GLY  40 -17.838  -7.959  -8.655
  365    HA2  GLY  40           HA2      GLY  40 -19.535  -6.485 -10.462
  366    HA3  GLY  40           HA3      GLY  40 -19.474  -8.231 -10.259
  367    H    GLU  41           H        GLU  41 -20.179  -7.824  -7.280
  368    HA   GLU  41           HA       GLU  41 -22.957  -6.862  -7.389
  369    HB2  GLU  41           HB2      GLU  41 -23.163  -9.181  -8.198
  370    HB3  GLU  41           HB3      GLU  41 -22.273  -9.760  -6.802
  371    HG2  GLU  41           HG2      GLU  41 -24.505 -10.292  -6.414
  372    HG3  GLU  41           HG3      GLU  41 -24.122  -8.987  -5.310
  373    H    LYS  42           H        LYS  42 -22.273  -5.296  -5.992
  374    HA   LYS  42           HA       LYS  42 -21.025  -5.902  -3.414
  375    HB2  LYS  42           HB2      LYS  42 -22.116  -3.308  -4.586
  376    HB3  LYS  42           HB3      LYS  42 -21.181  -3.437  -3.099
  377    HG2  LYS  42           HG2      LYS  42 -19.267  -4.406  -4.395
  378    HG3  LYS  42           HG3      LYS  42 -20.178  -4.123  -5.892
  379    HD2  LYS  42           HD2      LYS  42 -20.272  -1.668  -5.311
  380    HD3  LYS  42           HD3      LYS  42 -19.305  -2.012  -3.876
  381    HE2  LYS  42           HE2      LYS  42 -17.776  -1.171  -5.472
  382    HE3  LYS  42           HE3      LYS  42 -17.460  -2.897  -5.378
  383    HZ1  LYS  42           HZ1      LYS  42 -18.728  -3.178  -7.488
  384    HZ2  LYS  42           HZ2      LYS  42 -19.115  -1.583  -7.507
  385    HZ3  LYS  42           HZ3      LYS  42 -17.568  -2.043  -7.699
  386    H    GLN  43           H        GLN  43 -23.463  -7.274  -3.646
  387    HA   GLN  43           HA       GLN  43 -25.716  -5.824  -2.672
  388    HB2  GLN  43           HB2      GLN  43 -25.836  -7.780  -4.082
  389    HB3  GLN  43           HB3      GLN  43 -25.186  -8.819  -2.816
  390    HG2  GLN  43           HG2      GLN  43 -27.691  -7.157  -2.355
  391    HG3  GLN  43           HG3      GLN  43 -27.789  -8.634  -3.301
  392   HE21  GLN  43          HE21      GLN  43 -28.555  -9.436   0.303
  393   HE22  GLN  43          HE22      GLN  43 -29.200  -8.229  -0.805
  394    H    LEU  44           H        LEU  44 -23.440  -7.955  -0.877
  395    HA   LEU  44           HA       LEU  44 -24.852  -7.529   1.663
  396    HB2  LEU  44           HB2      LEU  44 -22.133  -8.733   1.009
  397    HB3  LEU  44           HB3      LEU  44 -22.820  -8.638   2.628
  398    HG   LEU  44           HG       LEU  44 -24.014 -10.215   0.328
  399   HD11  LEU  44          HD11      LEU  44 -22.602 -11.120   2.874
  400   HD12  LEU  44          HD12      LEU  44 -23.250 -12.163   1.596
  401   HD13  LEU  44          HD13      LEU  44 -21.870 -11.110   1.251
  402   HD21  LEU  44          HD21      LEU  44 -24.827 -10.035   3.274
  403   HD22  LEU  44          HD22      LEU  44 -25.803  -9.537   1.871
  404   HD23  LEU  44          HD23      LEU  44 -25.434 -11.241   2.120
  405    HA   PRO  45           HA       PRO  45 -22.812  -3.715   2.678
  406    HB2  PRO  45           HB2      PRO  45 -22.957  -3.625   5.384
  407    HB3  PRO  45           HB3      PRO  45 -24.408  -3.531   4.347
  408    HG2  PRO  45           HG2      PRO  45 -23.291  -5.994   5.734
  409    HG3  PRO  45           HG3      PRO  45 -24.976  -5.384   5.752
  410    HD2  PRO  45           HD2      PRO  45 -24.172  -7.332   4.023
  411    HD3  PRO  45           HD3      PRO  45 -25.359  -6.085   3.533
  412    H    VAL  46           H        VAL  46 -20.712  -2.979   3.004
  413    HA   VAL  46           HA       VAL  46 -18.675  -4.914   3.849
  414    HB   VAL  46           HB       VAL  46 -18.396  -3.249   1.963
  415   HG11  VAL  46          HG11      VAL  46 -19.000  -1.172   3.218
  416   HG12  VAL  46          HG12      VAL  46 -17.552  -1.390   4.236
  417   HG13  VAL  46          HG13      VAL  46 -17.386  -1.098   2.497
  418   HG21  VAL  46          HG21      VAL  46 -16.172  -3.496   4.020
  419   HG22  VAL  46          HG22      VAL  46 -16.604  -4.718   2.799
  420   HG23  VAL  46          HG23      VAL  46 -15.985  -3.140   2.290
  421    H    LEU  47           H        LEU  47 -20.302  -2.260   5.333
  422    HA   LEU  47           HA       LEU  47 -20.367  -1.316   7.346
  423    HB2  LEU  47           HB2      LEU  47 -19.392  -3.978   8.395
  424    HB3  LEU  47           HB3      LEU  47 -20.122  -2.691   9.344
  425    HG   LEU  47           HG       LEU  47 -21.505  -4.311   7.161
  426   HD11  LEU  47          HD11      LEU  47 -22.791  -5.244   9.015
  427   HD12  LEU  47          HD12      LEU  47 -21.057  -5.509   9.277
  428   HD13  LEU  47          HD13      LEU  47 -21.900  -4.231  10.179
  429   HD21  LEU  47          HD21      LEU  47 -22.611  -2.136   9.005
  430   HD22  LEU  47          HD22      LEU  47 -22.485  -2.041   7.237
  431   HD23  LEU  47          HD23      LEU  47 -23.590  -3.202   7.972
  432    H    ASP  48           H        ASP  48 -17.360  -3.174   7.691
  433    HA   ASP  48           HA       ASP  48 -15.867  -0.717   8.276
  434    HB2  ASP  48           HB2      ASP  48 -15.154  -1.570  10.532
  435    HB3  ASP  48           HB3      ASP  48 -16.816  -1.006  10.412
  436    H    LYS  49           H        LYS  49 -15.520  -4.263   8.430
  437    HA   LYS  49           HA       LYS  49 -12.622  -4.047   8.521
  438    HB2  LYS  49           HB2      LYS  49 -14.621  -6.254   8.658
  439    HB3  LYS  49           HB3      LYS  49 -12.982  -6.685   8.151
  440    HG2  LYS  49           HG2      LYS  49 -13.194  -7.022  10.527
  441    HG3  LYS  49           HG3      LYS  49 -12.053  -5.714  10.217
  442    HD2  LYS  49           HD2      LYS  49 -13.856  -4.048  10.706
  443    HD3  LYS  49           HD3      LYS  49 -14.980  -5.404  11.006
  444    HE2  LYS  49           HE2      LYS  49 -13.710  -6.108  12.936
  445    HE3  LYS  49           HE3      LYS  49 -12.444  -4.915  12.624
  446    HZ1  LYS  49           HZ1      LYS  49 -15.279  -4.042  13.040
  447    HZ2  LYS  49           HZ2      LYS  49 -14.258  -4.287  14.330
  448    HZ3  LYS  49           HZ3      LYS  49 -13.923  -3.158  13.198
  449    H    THR  50           H        THR  50 -11.128  -4.205   7.139
  450    HA   THR  50           HA       THR  50 -11.512  -5.222   4.402
  451    HB   THR  50           HB       THR  50 -10.186  -2.603   4.401
  452    HG1  THR  50           HG1      THR  50 -12.994  -2.586   4.412
  453   HG21  THR  50          HG21      THR  50 -11.532  -2.321   2.332
  454   HG22  THR  50          HG22      THR  50 -10.548  -3.801   2.298
  455   HG23  THR  50          HG23      THR  50 -12.292  -3.897   2.621
  456    H    LYS  51           H        LYS  51  -9.249  -4.082   6.853
  457    HA   LYS  51           HA       LYS  51  -7.033  -5.618   5.501
  458    HB2  LYS  51           HB2      LYS  51  -6.714  -3.130   5.898
  459    HB3  LYS  51           HB3      LYS  51  -6.865  -3.443   7.627
  460    HG2  LYS  51           HG2      LYS  51  -4.846  -5.019   7.408
  461    HG3  LYS  51           HG3      LYS  51  -4.708  -4.459   5.724
  462    HD2  LYS  51           HD2      LYS  51  -4.647  -2.069   6.700
  463    HD3  LYS  51           HD3      LYS  51  -4.465  -2.834   8.291
  464    HE2  LYS  51           HE2      LYS  51  -2.379  -3.956   7.498
  465    HE3  LYS  51           HE3      LYS  51  -2.584  -3.199   5.916
  466    HZ1  LYS  51           HZ1      LYS  51  -1.106  -1.778   7.077
  467    HZ2  LYS  51           HZ2      LYS  51  -2.544  -0.991   7.249
  468    HZ3  LYS  51           HZ3      LYS  51  -1.953  -1.832   8.495
  469    H    PHE  52           H        PHE  52  -6.043  -7.298   6.749
  470    HA   PHE  52           HA       PHE  52  -6.589  -7.352   9.555
  471    HB2  PHE  52           HB2      PHE  52  -7.474  -9.607   9.813
  472    HB3  PHE  52           HB3      PHE  52  -8.572  -8.396   9.237
  473    HD1  PHE  52           HD1      PHE  52  -8.881 -11.375   9.377
  474    HD2  PHE  52           HD2      PHE  52  -7.878  -8.761   6.096
  475    HE1  PHE  52           HE1      PHE  52  -9.730 -13.048   7.772
  476    HE2  PHE  52           HE2      PHE  52  -8.570 -10.534   4.523
  477    HZ   PHE  52           HZ       PHE  52  -9.539 -12.642   5.335
  478    H    LEU  53           H        LEU  53  -5.490  -8.985  10.864
  479    HA   LEU  53           HA       LEU  53  -3.200 -10.294   9.555
  480    HB2  LEU  53           HB2      LEU  53  -2.848  -8.697  12.105
  481    HB3  LEU  53           HB3      LEU  53  -1.644  -9.703  11.351
  482    HG   LEU  53           HG       LEU  53  -2.697  -7.152  10.073
  483   HD11  LEU  53          HD11      LEU  53  -1.593  -6.528  12.139
  484   HD12  LEU  53          HD12      LEU  53  -0.293  -7.692  11.871
  485   HD13  LEU  53          HD13      LEU  53  -0.438  -6.246  10.848
  486   HD21  LEU  53          HD21      LEU  53  -0.528  -7.307   8.812
  487   HD22  LEU  53          HD22      LEU  53  -0.368  -8.982   9.418
  488   HD23  LEU  53          HD23      LEU  53  -1.764  -8.478   8.405
  489    H    VAL  54           H        VAL  54  -2.792 -12.298  10.579
  490    HA   VAL  54           HA       VAL  54  -4.690 -12.992  12.788
  491    HB   VAL  54           HB       VAL  54  -4.108 -14.934  10.590
  492   HG11  VAL  54          HG11      VAL  54  -6.477 -14.581  12.493
  493   HG12  VAL  54          HG12      VAL  54  -6.246 -15.898  11.320
  494   HG13  VAL  54          HG13      VAL  54  -5.151 -15.744  12.697
  495   HG21  VAL  54          HG21      VAL  54  -6.235 -14.304   9.513
  496   HG22  VAL  54          HG22      VAL  54  -6.331 -12.871  10.565
  497   HG23  VAL  54          HG23      VAL  54  -5.008 -13.058   9.381
  498    HA   PRO  55           HA       PRO  55  -1.108 -14.944  14.707
  499    HB2  PRO  55           HB2      PRO  55  -3.189 -16.384  16.331
  500    HB3  PRO  55           HB3      PRO  55  -1.731 -15.503  16.885
  501    HG2  PRO  55           HG2      PRO  55  -4.203 -14.417  17.151
  502    HG3  PRO  55           HG3      PRO  55  -2.802 -13.411  16.664
  503    HD2  PRO  55           HD2      PRO  55  -4.959 -14.607  14.908
  504    HD3  PRO  55           HD3      PRO  55  -4.270 -12.957  14.897
  505    H    ASP  56           H        ASP  56  -0.046 -16.792  14.112
  506    HA   ASP  56           HA       ASP  56  -0.935 -18.222  11.955
  507    HB2  ASP  56           HB2      ASP  56   1.010 -19.757  12.354
  508    HB3  ASP  56           HB3      ASP  56   1.343 -18.033  12.296
  509    H    HIS  57           H        HIS  57  -1.516 -19.232  15.228
  510    HA   HIS  57           HA       HIS  57  -2.278 -21.975  14.587
  511    HB2  HIS  57           HB2      HIS  57  -2.465 -20.263  17.091
  512    HB3  HIS  57           HB3      HIS  57  -3.175 -21.866  17.008
  513    HD1  HIS  57           HD1      HIS  57   0.425 -20.474  16.230
  514    HD2  HIS  57           HD2      HIS  57  -1.707 -23.659  18.036
  515    HE1  HIS  57           HE1      HIS  57   2.182 -22.052  17.245
  516    HE2  HIS  57           HE2      HIS  57   0.881 -23.991  18.340
  517    H    VAL  58           H        VAL  58  -4.038 -19.082  14.088
  518    HA   VAL  58           HA       VAL  58  -6.720 -20.076  14.699
  519    HB   VAL  58           HB       VAL  58  -5.869 -17.856  12.851
  520   HG11  VAL  58          HG11      VAL  58  -8.186 -17.026  13.124
  521   HG12  VAL  58          HG12      VAL  58  -8.162 -18.600  12.330
  522   HG13  VAL  58          HG13      VAL  58  -8.598 -18.486  14.046
  523   HG21  VAL  58          HG21      VAL  58  -5.204 -17.413  15.200
  524   HG22  VAL  58          HG22      VAL  58  -6.569 -16.385  14.754
  525   HG23  VAL  58          HG23      VAL  58  -6.838 -17.826  15.747
  526    H    ASN  59           H        ASN  59  -7.925 -21.506  13.535
  527    HA   ASN  59           HA       ASN  59  -6.970 -22.528  10.947
  528    HB2  ASN  59           HB2      ASN  59  -9.390 -23.216  12.658
  529    HB3  ASN  59           HB3      ASN  59  -8.941 -24.058  11.174
  530   HD21  ASN  59          HD21      ASN  59  -7.584 -25.940  14.118
  531   HD22  ASN  59          HD22      ASN  59  -9.187 -25.341  13.715
  532    H    MET  60           H        MET  60  -8.212 -22.539   8.967
  533    HA   MET  60           HA       MET  60  -9.216 -20.045   8.208
  534    HB2  MET  60           HB2      MET  60  -9.619 -22.815   7.051
  535    HB3  MET  60           HB3      MET  60 -10.362 -21.419   6.290
  536    HG2  MET  60           HG2      MET  60  -7.408 -21.961   6.646
  537    HG3  MET  60           HG3      MET  60  -8.333 -21.891   5.147
  538    HE1  MET  60           HE1      MET  60  -9.140 -17.965   4.998
  539    HE2  MET  60           HE2      MET  60  -9.711 -19.586   4.521
  540    HE3  MET  60           HE3      MET  60 -10.060 -18.958   6.146
  541    H    SER  61           H        SER  61 -11.307 -22.856   9.133
  542    HA   SER  61           HA       SER  61 -13.769 -21.461   8.809
  543    HB2  SER  61           HB2      SER  61 -14.675 -23.210  10.312
  544    HB3  SER  61           HB3      SER  61 -13.642 -23.877   9.034
  545    HG   SER  61           HG       SER  61 -13.165 -24.780  11.121
  546    H    GLU  62           H        GLU  62 -11.588 -21.611  11.659
  547    HA   GLU  62           HA       GLU  62 -13.277 -20.070  13.402
  548    HB2  GLU  62           HB2      GLU  62 -11.418 -21.527  14.174
  549    HB3  GLU  62           HB3      GLU  62 -10.260 -20.426  13.437
  550    HG2  GLU  62           HG2      GLU  62 -10.287 -19.968  15.758
  551    HG3  GLU  62           HG3      GLU  62 -11.013 -18.595  14.948
  552    H    LEU  63           H        LEU  63 -10.632 -19.063  11.211
  553    HA   LEU  63           HA       LEU  63 -10.781 -16.252  11.749
  554    HB2  LEU  63           HB2      LEU  63  -8.920 -17.353  10.549
  555    HB3  LEU  63           HB3      LEU  63  -9.999 -17.804   9.235
  556    HG   LEU  63           HG       LEU  63 -10.315 -15.422   8.635
  557   HD11  LEU  63          HD11      LEU  63  -8.438 -14.975  10.999
  558   HD12  LEU  63          HD12      LEU  63  -8.687 -13.767   9.729
  559   HD13  LEU  63          HD13      LEU  63 -10.053 -14.271  10.731
  560   HD21  LEU  63          HD21      LEU  63  -8.530 -16.724   7.589
  561   HD22  LEU  63          HD22      LEU  63  -8.010 -15.045   7.810
  562   HD23  LEU  63          HD23      LEU  63  -7.416 -16.317   8.913
  563    H    ILE  64           H        ILE  64 -12.534 -18.307   9.429
  564    HA   ILE  64           HA       ILE  64 -14.059 -16.175   8.232
  565    HB   ILE  64           HB       ILE  64 -14.280 -19.188   8.283
  566   HG12  ILE  64          HG12      ILE  64 -13.687 -17.203   6.038
  567   HG13  ILE  64          HG13      ILE  64 -12.428 -17.881   7.043
  568   HG21  ILE  64          HG21      ILE  64 -15.994 -19.058   6.519
  569   HG22  ILE  64          HG22      ILE  64 -16.597 -18.403   8.027
  570   HG23  ILE  64          HG23      ILE  64 -16.093 -17.296   6.723
  571   HD11  ILE  64          HD11      ILE  64 -13.147 -20.188   6.301
  572   HD12  ILE  64          HD12      ILE  64 -14.163 -19.366   5.078
  573   HD13  ILE  64          HD13      ILE  64 -12.414 -19.144   5.066
  574    H    LYS  65           H        LYS  65 -14.739 -18.225  11.096
  575    HA   LYS  65           HA       LYS  65 -17.354 -17.175  11.626
  576    HB2  LYS  65           HB2      LYS  65 -15.209 -18.346  13.419
  577    HB3  LYS  65           HB3      LYS  65 -16.753 -17.775  14.059
  578    HG2  LYS  65           HG2      LYS  65 -18.011 -19.399  12.890
  579    HG3  LYS  65           HG3      LYS  65 -16.697 -19.763  11.772
  580    HD2  LYS  65           HD2      LYS  65 -16.936 -21.590  13.368
  581    HD3  LYS  65           HD3      LYS  65 -15.380 -20.792  13.562
  582    HE2  LYS  65           HE2      LYS  65 -16.505 -19.420  15.470
  583    HE3  LYS  65           HE3      LYS  65 -17.842 -20.563  15.352
  584    HZ1  LYS  65           HZ1      LYS  65 -14.993 -21.196  15.991
  585    HZ2  LYS  65           HZ2      LYS  65 -16.253 -21.279  17.032
  586    HZ3  LYS  65           HZ3      LYS  65 -16.156 -22.354  15.800
  587    H    ILE  66           H        ILE  66 -14.196 -15.882  12.898
  588    HA   ILE  66           HA       ILE  66 -15.502 -13.660  14.197
  589    HB   ILE  66           HB       ILE  66 -13.408 -14.057  15.005
  590   HG12  ILE  66          HG12      ILE  66 -13.989 -11.588  14.673
  591   HG13  ILE  66          HG13      ILE  66 -12.352 -12.019  15.106
  592   HG21  ILE  66          HG21      ILE  66 -11.270 -13.963  13.805
  593   HG22  ILE  66          HG22      ILE  66 -12.302 -15.264  13.246
  594   HG23  ILE  66          HG23      ILE  66 -12.134 -13.788  12.265
  595   HD11  ILE  66          HD11      ILE  66 -13.177 -11.147  12.305
  596   HD12  ILE  66          HD12      ILE  66 -12.346 -10.180  13.517
  597   HD13  ILE  66          HD13      ILE  66 -11.538 -11.578  12.833
  598    H    ILE  67           H        ILE  67 -14.180 -13.896  10.887
  599    HA   ILE  67           HA       ILE  67 -14.840 -11.198  10.167
  600    HB   ILE  67           HB       ILE  67 -14.385 -13.748   8.590
  601   HG12  ILE  67          HG12      ILE  67 -12.423 -12.800   9.752
  602   HG13  ILE  67          HG13      ILE  67 -12.255 -12.760   8.008
  603   HG21  ILE  67          HG21      ILE  67 -15.814 -12.462   7.127
  604   HG22  ILE  67          HG22      ILE  67 -14.892 -10.972   7.443
  605   HG23  ILE  67          HG23      ILE  67 -14.161 -12.333   6.549
  606   HD11  ILE  67          HD11      ILE  67 -11.354 -10.739   9.106
  607   HD12  ILE  67          HD12      ILE  67 -12.661 -10.323   7.985
  608   HD13  ILE  67          HD13      ILE  67 -12.936 -10.334   9.744
  609    H    ARG  68           H        ARG  68 -16.811 -14.181   9.676
  610    HA   ARG  68           HA       ARG  68 -19.096 -12.877   8.581
  611    HB2  ARG  68           HB2      ARG  68 -18.606 -15.355   8.643
  612    HB3  ARG  68           HB3      ARG  68 -19.016 -15.367  10.360
  613    HG2  ARG  68           HG2      ARG  68 -21.335 -14.537   9.744
  614    HG3  ARG  68           HG3      ARG  68 -20.861 -14.625   8.041
  615    HD2  ARG  68           HD2      ARG  68 -22.109 -16.600   8.558
  616    HD3  ARG  68           HD3      ARG  68 -20.416 -17.070   8.341
  617    HE   ARG  68           HE       ARG  68 -21.389 -16.501  11.105
  618   HH11  ARG  68          HH11      ARG  68 -20.754 -19.077   8.815
  619   HH12  ARG  68          HH12      ARG  68 -20.630 -20.283  10.067
  620   HH21  ARG  68          HH21      ARG  68 -21.196 -18.082  12.652
  621   HH22  ARG  68          HH22      ARG  68 -20.934 -19.729  12.181
  622    H    ARG  69           H        ARG  69 -18.311 -13.532  12.008
  623    HA   ARG  69           HA       ARG  69 -20.724 -12.362  13.040
  624    HB2  ARG  69           HB2      ARG  69 -19.406 -14.014  14.305
  625    HB3  ARG  69           HB3      ARG  69 -18.037 -12.913  14.386
  626    HG2  ARG  69           HG2      ARG  69 -19.199 -12.939  16.525
  627    HG3  ARG  69           HG3      ARG  69 -19.342 -11.348  15.799
  628    HD2  ARG  69           HD2      ARG  69 -21.675 -12.200  14.911
  629    HD3  ARG  69           HD3      ARG  69 -21.449 -13.520  16.041
  630    HE   ARG  69           HE       ARG  69 -21.760 -12.069  17.847
  631   HH11  ARG  69          HH11      ARG  69 -21.583 -10.042  14.958
  632   HH12  ARG  69          HH12      ARG  69 -22.605  -8.819  15.654
  633   HH21  ARG  69          HH21      ARG  69 -22.902 -10.386  18.719
  634   HH22  ARG  69          HH22      ARG  69 -23.225  -8.960  17.777
  635    H    ARG  70           H        ARG  70 -17.465 -10.886  12.617
  636    HA   ARG  70           HA       ARG  70 -18.257  -8.293  13.687
  637    HB2  ARG  70           HB2      ARG  70 -15.988  -9.166  11.844
  638    HB3  ARG  70           HB3      ARG  70 -16.165  -7.513  12.424
  639    HG2  ARG  70           HG2      ARG  70 -15.856  -9.930  14.271
  640    HG3  ARG  70           HG3      ARG  70 -14.527  -8.912  13.715
  641    HD2  ARG  70           HD2      ARG  70 -15.602  -6.939  14.784
  642    HD3  ARG  70           HD3      ARG  70 -16.885  -7.968  15.409
  643    HE   ARG  70           HE       ARG  70 -14.017  -7.914  16.244
  644   HH11  ARG  70          HH11      ARG  70 -17.188  -9.299  16.934
  645   HH12  ARG  70          HH12      ARG  70 -16.700  -9.762  18.539
  646   HH21  ARG  70          HH21      ARG  70 -13.515  -8.467  18.217
  647   HH22  ARG  70          HH22      ARG  70 -14.655  -9.304  19.265
  648    H    LEU  71           H        LEU  71 -18.367  -9.625  10.401
  649    HA   LEU  71           HA       LEU  71 -19.552  -7.258   9.212
  650    HB2  LEU  71           HB2      LEU  71 -19.476 -10.186   8.392
  651    HB3  LEU  71           HB3      LEU  71 -20.155  -8.924   7.380
  652    HG   LEU  71           HG       LEU  71 -17.256  -8.848   8.311
  653   HD11  LEU  71          HD11      LEU  71 -18.452  -9.916   5.723
  654   HD12  LEU  71          HD12      LEU  71 -16.722  -9.682   6.035
  655   HD13  LEU  71          HD13      LEU  71 -17.650 -10.868   6.973
  656   HD21  LEU  71          HD21      LEU  71 -18.785  -7.382   6.120
  657   HD22  LEU  71          HD22      LEU  71 -18.119  -6.666   7.605
  658   HD23  LEU  71          HD23      LEU  71 -17.030  -7.303   6.370
  659    H    GLN  72           H        GLN  72 -20.883  -9.064  11.631
  660    HA   GLN  72           HA       GLN  72 -22.920  -9.341  12.510
  661    HB2  GLN  72           HB2      GLN  72 -23.913  -7.141  10.685
  662    HB3  GLN  72           HB3      GLN  72 -24.553  -7.617  12.248
  663    HG2  GLN  72           HG2      GLN  72 -21.886  -6.247  11.722
  664    HG3  GLN  72           HG3      GLN  72 -23.314  -5.524  12.432
  665   HE21  GLN  72          HE21      GLN  72 -20.692  -6.785  15.007
  666   HE22  GLN  72          HE22      GLN  72 -20.358  -6.272  13.351
  667    H    LEU  73           H        LEU  73 -22.314 -10.949  10.035
  668    HA   LEU  73           HA       LEU  73 -24.890 -11.210   8.645
  669    HB2  LEU  73           HB2      LEU  73 -22.310 -12.780   8.397
  670    HB3  LEU  73           HB3      LEU  73 -23.703 -12.932   7.326
  671    HG   LEU  73           HG       LEU  73 -22.026 -10.407   7.688
  672   HD11  LEU  73          HD11      LEU  73 -21.093 -10.901   5.521
  673   HD12  LEU  73          HD12      LEU  73 -20.786 -12.260   6.612
  674   HD13  LEU  73          HD13      LEU  73 -22.074 -12.377   5.390
  675   HD21  LEU  73          HD21      LEU  73 -24.296  -9.839   6.943
  676   HD22  LEU  73          HD22      LEU  73 -23.157  -9.649   5.608
  677   HD23  LEU  73          HD23      LEU  73 -24.213 -11.081   5.670
  678    H    ASN  74           H        ASN  74 -26.522 -12.282   9.466
  679    HA   ASN  74           HA       ASN  74 -26.239 -14.436  11.435
  680    HB2  ASN  74           HB2      ASN  74 -28.653 -13.272   9.971
  681    HB3  ASN  74           HB3      ASN  74 -28.752 -14.503  11.229
  682   HD21  ASN  74          HD21      ASN  74 -29.104 -10.931  12.605
  683   HD22  ASN  74          HD22      ASN  74 -29.718 -11.592  11.098
  684    H    ALA  75           H        ALA  75 -27.215 -16.568  11.149
  685    HA   ALA  75           HA       ALA  75 -26.063 -18.064   9.103
  686    HB1  ALA  75           HB1      ALA  75 -26.857 -18.899  11.303
  687    HB2  ALA  75           HB2      ALA  75 -28.544 -18.686  10.768
  688    HB3  ALA  75           HB3      ALA  75 -27.499 -19.880   9.970
  689    H    ASN  76           H        ASN  76 -29.244 -16.537   9.065
  690    HA   ASN  76           HA       ASN  76 -30.417 -17.913   6.859
  691    HB2  ASN  76           HB2      ASN  76 -31.661 -16.608   8.519
  692    HB3  ASN  76           HB3      ASN  76 -30.827 -15.127   8.039
  693   HD21  ASN  76          HD21      ASN  76 -33.028 -14.467   5.381
  694   HD22  ASN  76          HD22      ASN  76 -31.579 -13.981   6.264
  695    H    GLN  77           H        GLN  77 -27.949 -15.378   6.878
  696    HA   GLN  77           HA       GLN  77 -28.564 -14.425   4.175
  697    HB2  GLN  77           HB2      GLN  77 -26.074 -13.882   5.845
  698    HB3  GLN  77           HB3      GLN  77 -26.646 -12.989   4.441
  699    HG2  GLN  77           HG2      GLN  77 -27.791 -13.017   7.253
  700    HG3  GLN  77           HG3      GLN  77 -27.158 -11.654   6.333
  701   HE21  GLN  77          HE21      GLN  77 -30.239 -11.322   4.385
  702   HE22  GLN  77          HE22      GLN  77 -28.507 -11.070   4.266
  703    H    ALA  78           H        ALA  78 -27.620 -15.043   2.264
  704    HA   ALA  78           HA       ALA  78 -25.837 -17.346   2.136
  705    HB1  ALA  78           HB1      ALA  78 -26.669 -15.330   0.001
  706    HB2  ALA  78           HB2      ALA  78 -25.824 -16.870  -0.279
  707    HB3  ALA  78           HB3      ALA  78 -27.482 -16.873   0.359
  708    H    PHE  79           H        PHE  79 -23.663 -17.313   2.358
  709    HA   PHE  79           HA       PHE  79 -22.145 -14.836   1.941
  710    HB2  PHE  79           HB2      PHE  79 -22.692 -14.343   4.082
  711    HB3  PHE  79           HB3      PHE  79 -22.692 -16.017   4.603
  712    HD1  PHE  79           HD1      PHE  79 -20.780 -17.046   5.581
  713    HD2  PHE  79           HD2      PHE  79 -20.394 -13.227   3.633
  714    HE1  PHE  79           HE1      PHE  79 -18.506 -16.791   6.534
  715    HE2  PHE  79           HE2      PHE  79 -18.127 -12.948   4.622
  716    HZ   PHE  79           HZ       PHE  79 -17.185 -14.726   6.090
  717    H    PHE  80           H        PHE  80 -20.172 -14.869   1.327
  718    HA   PHE  80           HA       PHE  80 -18.598 -17.356   1.510
  719    HB2  PHE  80           HB2      PHE  80 -19.181 -15.779  -1.000
  720    HB3  PHE  80           HB3      PHE  80 -17.808 -16.855  -0.846
  721    HD1  PHE  80           HD1      PHE  80 -18.042 -19.285  -0.828
  722    HD2  PHE  80           HD2      PHE  80 -21.501 -16.715  -0.956
  723    HE1  PHE  80           HE1      PHE  80 -19.464 -21.222  -1.459
  724    HE2  PHE  80           HE2      PHE  80 -22.927 -18.656  -1.561
  725    HZ   PHE  80           HZ       PHE  80 -21.905 -20.914  -1.820
  726    H    LEU  81           H        LEU  81 -16.536 -17.239   1.993
  727    HA   LEU  81           HA       LEU  81 -15.109 -14.620   1.772
  728    HB2  LEU  81           HB2      LEU  81 -15.719 -15.284   4.096
  729    HB3  LEU  81           HB3      LEU  81 -14.813 -16.765   3.921
  730    HG   LEU  81           HG       LEU  81 -13.703 -15.037   5.271
  731   HD11  LEU  81          HD11      LEU  81 -12.327 -16.724   3.992
  732   HD12  LEU  81          HD12      LEU  81 -12.021 -15.458   2.783
  733   HD13  LEU  81          HD13      LEU  81 -11.502 -15.232   4.473
  734   HD21  LEU  81          HD21      LEU  81 -14.485 -13.031   4.103
  735   HD22  LEU  81          HD22      LEU  81 -12.723 -13.042   4.333
  736   HD23  LEU  81          HD23      LEU  81 -13.419 -13.392   2.732
  737    H    LEU  82           H        LEU  82 -14.372 -15.036  -0.253
  738    HA   LEU  82           HA       LEU  82 -13.350 -17.670  -1.014
  739    HB2  LEU  82           HB2      LEU  82 -13.575 -15.115  -2.628
  740    HB3  LEU  82           HB3      LEU  82 -13.343 -16.732  -3.257
  741    HG   LEU  82           HG       LEU  82 -15.857 -15.794  -1.798
  742   HD11  LEU  82          HD11      LEU  82 -15.368 -16.216  -4.775
  743   HD12  LEU  82          HD12      LEU  82 -16.896 -15.746  -3.999
  744   HD13  LEU  82          HD13      LEU  82 -15.519 -14.642  -3.958
  745   HD21  LEU  82          HD21      LEU  82 -15.531 -18.232  -1.632
  746   HD22  LEU  82          HD22      LEU  82 -16.833 -17.875  -2.775
  747   HD23  LEU  82          HD23      LEU  82 -15.235 -18.333  -3.387
  748    H    VAL  83           H        VAL  83 -11.347 -18.124  -0.245
  749    HA   VAL  83           HA       VAL  83  -9.147 -16.183  -0.140
  750    HB   VAL  83           HB       VAL  83  -9.057 -19.214   0.067
  751   HG11  VAL  83          HG11      VAL  83  -6.943 -18.817   1.273
  752   HG12  VAL  83          HG12      VAL  83  -6.843 -18.159  -0.361
  753   HG13  VAL  83          HG13      VAL  83  -7.118 -17.068   1.021
  754   HG21  VAL  83          HG21      VAL  83 -10.525 -18.380   1.837
  755   HG22  VAL  83          HG22      VAL  83  -8.956 -18.816   2.525
  756   HG23  VAL  83          HG23      VAL  83  -9.346 -17.113   2.257
  757    H    ASN  84           H        ASN  84  -8.104 -15.483  -1.912
  758    HA   ASN  84           HA       ASN  84  -7.783 -15.172  -4.158
  759    HB2  ASN  84           HB2      ASN  84  -6.497 -17.878  -3.662
  760    HB3  ASN  84           HB3      ASN  84  -6.306 -16.997  -5.172
  761   HD21  ASN  84          HD21      ASN  84  -3.416 -16.147  -3.078
  762   HD22  ASN  84          HD22      ASN  84  -4.079 -17.619  -3.773
  763    H    GLY  85           H        GLY  85 -10.418 -15.750  -3.824
  764    HA2  GLY  85           HA2      GLY  85 -12.189 -15.983  -5.307
  765    HA3  GLY  85           HA3      GLY  85 -11.117 -16.693  -6.502
  766    H    HIS  86           H        HIS  86 -10.778 -18.522  -3.644
  767    HA   HIS  86           HA       HIS  86 -12.959 -20.431  -4.437
  768    HB2  HIS  86           HB2      HIS  86 -10.141 -21.086  -3.493
  769    HB3  HIS  86           HB3      HIS  86 -11.403 -22.255  -3.891
  770    HD1  HIS  86           HD1      HIS  86  -8.658 -20.321  -5.538
  771    HD2  HIS  86           HD2      HIS  86 -12.378 -22.031  -6.588
  772    HE1  HIS  86           HE1      HIS  86  -8.693 -20.461  -8.110
  773    HE2  HIS  86           HE2      HIS  86 -10.953 -21.523  -8.744
  774    H    SER  87           H        SER  87 -14.115 -21.506  -2.841
  775    HA   SER  87           HA       SER  87 -14.325 -20.069  -0.322
  776    HB2  SER  87           HB2      SER  87 -16.293 -20.946  -1.513
  777    HB3  SER  87           HB3      SER  87 -15.725 -22.610  -1.232
  778    HG   SER  87           HG       SER  87 -17.197 -21.962   0.398
  779    H    MET  88           H        MET  88 -13.811 -20.654   1.718
  780    HA   MET  88           HA       MET  88 -12.577 -23.318   2.264
  781    HB2  MET  88           HB2      MET  88 -11.368 -20.616   2.964
  782    HB3  MET  88           HB3      MET  88 -10.841 -22.139   3.681
  783    HG2  MET  88           HG2      MET  88 -10.457 -23.012   1.322
  784    HG3  MET  88           HG3      MET  88 -10.659 -21.340   0.770
  785    HE1  MET  88           HE1      MET  88  -8.337 -21.488  -0.418
  786    HE2  MET  88           HE2      MET  88  -6.820 -21.941   0.385
  787    HE3  MET  88           HE3      MET  88  -8.094 -23.154   0.160
  788    H    VAL  89           H        VAL  89 -15.270 -21.949   2.962
  789    HA   VAL  89           HA       VAL  89 -15.202 -21.229   5.711
  790    HB   VAL  89           HB       VAL  89 -17.522 -21.102   5.723
  791   HG11  VAL  89          HG11      VAL  89 -16.376 -19.484   4.177
  792   HG12  VAL  89          HG12      VAL  89 -16.796 -20.545   2.814
  793   HG13  VAL  89          HG13      VAL  89 -18.070 -19.796   3.786
  794   HG21  VAL  89          HG21      VAL  89 -18.193 -23.306   4.917
  795   HG22  VAL  89          HG22      VAL  89 -18.995 -22.050   3.976
  796   HG23  VAL  89          HG23      VAL  89 -17.606 -22.919   3.281
  797    H    SER  90           H        SER  90 -15.433 -24.456   4.413
  798    HA   SER  90           HA       SER  90 -16.093 -25.607   7.064
  799    HB2  SER  90           HB2      SER  90 -16.318 -27.696   5.786
  800    HB3  SER  90           HB3      SER  90 -17.319 -26.391   5.118
  801    HG   SER  90           HG       SER  90 -16.141 -27.538   3.479
  802    H    VAL  91           H        VAL  91 -13.173 -24.776   5.498
  803    HA   VAL  91           HA       VAL  91 -11.864 -27.302   6.060
  804    HB   VAL  91           HB       VAL  91 -11.549 -25.845   3.972
  805   HG11  VAL  91          HG11      VAL  91  -9.202 -24.807   5.616
  806   HG12  VAL  91          HG12      VAL  91  -9.582 -24.470   3.917
  807   HG13  VAL  91          HG13      VAL  91 -10.646 -23.853   5.199
  808   HG21  VAL  91          HG21      VAL  91  -9.394 -26.919   3.558
  809   HG22  VAL  91          HG22      VAL  91  -9.208 -27.286   5.286
  810   HG23  VAL  91          HG23      VAL  91 -10.513 -28.039   4.342
  811    H    SER  92           H        SER  92 -10.288 -27.895   7.405
  812    HA   SER  92           HA       SER  92 -10.129 -26.434   9.914
  813    HB2  SER  92           HB2      SER  92  -8.971 -28.479  10.682
  814    HB3  SER  92           HB3      SER  92 -10.509 -28.829   9.877
  815    HG   SER  92           HG       SER  92  -8.804 -30.215   9.151
  816    H    THR  93           H        THR  93  -8.116 -26.345   7.138
  817    HA   THR  93           HA       THR  93  -5.604 -26.461   8.082
  818    HB   THR  93           HB       THR  93  -6.184 -24.380   6.016
  819    HG1  THR  93           HG1      THR  93  -6.432 -26.122   4.533
  820   HG21  THR  93          HG21      THR  93  -4.098 -26.593   6.210
  821   HG22  THR  93          HG22      THR  93  -4.270 -25.444   4.865
  822   HG23  THR  93          HG23      THR  93  -3.820 -24.852   6.468
  823    HA   PRO  94           HA       PRO  94  -4.829 -22.800  10.620
  824    HB2  PRO  94           HB2      PRO  94  -2.098 -22.911  10.817
  825    HB3  PRO  94           HB3      PRO  94  -3.194 -23.994  11.728
  826    HG2  PRO  94           HG2      PRO  94  -1.775 -24.567   9.098
  827    HG3  PRO  94           HG3      PRO  94  -1.831 -25.588  10.579
  828    HD2  PRO  94           HD2      PRO  94  -3.492 -26.040   8.504
  829    HD3  PRO  94           HD3      PRO  94  -4.086 -26.197  10.181
  830    H    ILE  95           H        ILE  95  -4.513 -20.675  10.093
  831    HA   ILE  95           HA       ILE  95  -4.501 -19.959   7.405
  832    HB   ILE  95           HB       ILE  95  -5.514 -18.625   9.159
  833   HG12  ILE  95          HG12      ILE  95  -4.828 -16.335   8.524
  834   HG13  ILE  95          HG13      ILE  95  -3.384 -16.946   7.729
  835   HG21  ILE  95          HG21      ILE  95  -4.260 -17.249  10.714
  836   HG22  ILE  95          HG22      ILE  95  -3.680 -18.890  10.902
  837   HG23  ILE  95          HG23      ILE  95  -2.712 -17.712   9.995
  838   HD11  ILE  95          HD11      ILE  95  -4.804 -18.147   6.072
  839   HD12  ILE  95          HD12      ILE  95  -6.250 -17.523   6.903
  840   HD13  ILE  95          HD13      ILE  95  -5.129 -16.410   6.106
  841    H    SER  96           H        SER  96  -1.624 -20.213   9.458
  842    HA   SER  96           HA       SER  96   0.169 -18.697   7.820
  843    HB2  SER  96           HB2      SER  96   0.699 -19.403  10.098
  844    HB3  SER  96           HB3      SER  96   0.716 -21.108   9.592
  845    HG   SER  96           HG       SER  96   2.842 -20.218   9.649
  846    H    GLU  97           H        GLU  97  -0.708 -22.181   7.640
  847    HA   GLU  97           HA       GLU  97   1.134 -22.819   5.509
  848    HB2  GLU  97           HB2      GLU  97   0.224 -24.540   6.996
  849    HB3  GLU  97           HB3      GLU  97  -1.416 -24.129   6.516
  850    HG2  GLU  97           HG2      GLU  97  -0.814 -26.168   5.446
  851    HG3  GLU  97           HG3      GLU  97  -0.991 -24.928   4.218
  852    H    VAL  98           H        VAL  98  -2.337 -21.962   5.550
  853    HA   VAL  98           HA       VAL  98  -2.717 -21.987   2.717
  854    HB   VAL  98           HB       VAL  98  -4.194 -20.130   4.596
  855   HG11  VAL  98          HG11      VAL  98  -6.022 -20.415   2.996
  856   HG12  VAL  98          HG12      VAL  98  -4.593 -19.830   2.134
  857   HG13  VAL  98          HG13      VAL  98  -5.046 -21.542   2.025
  858   HG21  VAL  98          HG21      VAL  98  -4.706 -23.077   4.043
  859   HG22  VAL  98          HG22      VAL  98  -4.368 -22.324   5.621
  860   HG23  VAL  98          HG23      VAL  98  -5.878 -21.974   4.780
  861    H    TYR  99           H        TYR  99  -1.722 -19.287   4.872
  862    HA   TYR  99           HA       TYR  99  -1.411 -17.382   2.824
  863    HB2  TYR  99           HB2      TYR  99  -1.502 -16.470   4.919
  864    HB3  TYR  99           HB3      TYR  99  -0.342 -17.614   5.581
  865    HD1  TYR  99           HD1      TYR  99   1.894 -17.026   5.873
  866    HD2  TYR  99           HD2      TYR  99  -0.531 -14.796   3.091
  867    HE1  TYR  99           HE1      TYR  99   3.722 -15.387   5.591
  868    HE2  TYR  99           HE2      TYR  99   1.329 -13.201   2.746
  869    HH   TYR  99           HH       TYR  99   3.393 -12.515   3.437
  870    H    GLU 100           H        GLU 100   1.263 -19.442   4.091
  871    HA   GLU 100           HA       GLU 100   3.114 -18.286   2.256
  872    HB2  GLU 100           HB2      GLU 100   3.086 -20.909   3.765
  873    HB3  GLU 100           HB3      GLU 100   4.402 -20.518   2.668
  874    HG2  GLU 100           HG2      GLU 100   3.555 -18.781   5.030
  875    HG3  GLU 100           HG3      GLU 100   4.868 -19.956   5.061
  876    H    SER 101           H        SER 101   0.765 -20.870   1.721
  877    HA   SER 101           HA       SER 101   1.743 -21.528  -0.951
  878    HB2  SER 101           HB2      SER 101   0.473 -23.102   0.450
  879    HB3  SER 101           HB3      SER 101  -0.935 -22.022   0.396
  880    HG   SER 101           HG       SER 101  -0.987 -23.758  -1.181
  881    H    GLU 102           H        GLU 102  -0.821 -19.346   0.296
  882    HA   GLU 102           HA       GLU 102  -1.579 -18.579  -2.473
  883    HB2  GLU 102           HB2      GLU 102  -3.059 -18.419   0.164
  884    HB3  GLU 102           HB3      GLU 102  -3.715 -17.871  -1.354
  885    HG2  GLU 102           HG2      GLU 102  -2.918 -20.745  -0.769
  886    HG3  GLU 102           HG3      GLU 102  -4.545 -20.084  -0.681
  887    H    LYS 103           H        LYS 103   0.459 -17.123  -0.323
  888    HA   LYS 103           HA       LYS 103  -0.348 -14.424  -0.333
  889    HB2  LYS 103           HB2      LYS 103   2.030 -13.869  -0.087
  890    HB3  LYS 103           HB3      LYS 103   1.514 -15.168   0.986
  891    HG2  LYS 103           HG2      LYS 103   2.585 -16.849  -0.461
  892    HG3  LYS 103           HG3      LYS 103   3.054 -15.582  -1.609
  893    HD2  LYS 103           HD2      LYS 103   4.383 -14.474   0.185
  894    HD3  LYS 103           HD3      LYS 103   4.024 -15.815   1.277
  895    HE2  LYS 103           HE2      LYS 103   5.359 -16.152  -1.461
  896    HE3  LYS 103           HE3      LYS 103   6.279 -15.836   0.009
  897    HZ1  LYS 103           HZ1      LYS 103   6.139 -18.223  -0.482
  898    HZ2  LYS 103           HZ2      LYS 103   5.478 -17.875   0.972
  899    HZ3  LYS 103           HZ3      LYS 103   4.509 -18.225  -0.311
  900    H    ASP 104           H        ASP 104  -0.300 -12.744  -1.687
  901    HA   ASP 104           HA       ASP 104   0.367 -13.202  -4.573
  902    HB2  ASP 104           HB2      ASP 104  -1.939 -12.445  -3.760
  903    HB3  ASP 104           HB3      ASP 104  -1.179 -10.925  -3.279
  904    H    GLU 105           H        GLU 105   1.119 -10.960  -5.585
  905    HA   GLU 105           HA       GLU 105   3.782 -10.538  -4.840
  906    HB2  GLU 105           HB2      GLU 105   1.924  -8.737  -6.446
  907    HB3  GLU 105           HB3      GLU 105   3.673  -8.566  -6.403
  908    HG2  GLU 105           HG2      GLU 105   2.169 -11.009  -7.431
  909    HG3  GLU 105           HG3      GLU 105   2.848  -9.726  -8.421
  910    H    ASP 106           H        ASP 106   1.010  -8.761  -3.586
  911    HA   ASP 106           HA       ASP 106   2.381  -6.572  -2.345
  912    HB2  ASP 106           HB2      ASP 106  -0.157  -8.087  -1.643
  913    HB3  ASP 106           HB3      ASP 106   0.400  -6.689  -0.738
  914    H    GLY 107           H        GLY 107   2.608  -9.914  -1.598
  915    HA2  GLY 107           HA2      GLY 107   3.732 -11.029   0.095
  916    HA3  GLY 107           HA3      GLY 107   3.995  -9.518   0.968
  917    H    PHE 108           H        PHE 108   0.783  -9.787   0.045
  918    HA   PHE 108           HA       PHE 108  -0.162 -10.820   2.665
  919    HB2  PHE 108           HB2      PHE 108  -1.237  -8.651   0.865
  920    HB3  PHE 108           HB3      PHE 108  -2.258  -9.462   2.023
  921    HD1  PHE 108           HD1      PHE 108  -2.553  -8.523   4.131
  922    HD2  PHE 108           HD2      PHE 108   1.014  -7.574   1.916
  923    HE1  PHE 108           HE1      PHE 108  -1.927  -6.885   5.870
  924    HE2  PHE 108           HE2      PHE 108   1.644  -5.930   3.659
  925    HZ   PHE 108           HZ       PHE 108   0.184  -5.591   5.643
  926    H    LEU 109           H        LEU 109  -2.063 -12.112   2.790
  927    HA   LEU 109           HA       LEU 109  -2.701 -13.688   0.360
  928    HB2  LEU 109           HB2      LEU 109  -2.728 -14.265   3.095
  929    HB3  LEU 109           HB3      LEU 109  -4.429 -13.982   2.761
  930    HG   LEU 109           HG       LEU 109  -2.616 -16.024   1.416
  931   HD11  LEU 109          HD11      LEU 109  -5.117 -16.451   3.104
  932   HD12  LEU 109          HD12      LEU 109  -3.934 -17.656   2.571
  933   HD13  LEU 109          HD13      LEU 109  -3.488 -16.460   3.796
  934   HD21  LEU 109          HD21      LEU 109  -4.807 -16.850   0.419
  935   HD22  LEU 109          HD22      LEU 109  -5.531 -15.306   0.889
  936   HD23  LEU 109          HD23      LEU 109  -4.191 -15.365  -0.288
  937    H    TYR 110           H        TYR 110  -4.666 -13.460  -0.821
  938    HA   TYR 110           HA       TYR 110  -6.423 -11.223  -0.018
  939    HB2  TYR 110           HB2      TYR 110  -5.748 -12.209  -2.740
  940    HB3  TYR 110           HB3      TYR 110  -7.256 -11.377  -2.432
  941    HD1  TYR 110           HD1      TYR 110  -7.371  -9.012  -1.965
  942    HD2  TYR 110           HD2      TYR 110  -3.564 -11.011  -2.367
  943    HE1  TYR 110           HE1      TYR 110  -6.232  -6.808  -2.225
  944    HE2  TYR 110           HE2      TYR 110  -2.439  -8.811  -2.641
  945    HH   TYR 110           HH       TYR 110  -2.741  -6.578  -2.973
  946    H    MET 111           H        MET 111  -8.441 -11.285   0.433
  947    HA   MET 111           HA       MET 111  -9.982 -13.810  -0.027
  948    HB2  MET 111           HB2      MET 111  -9.973 -11.961   2.398
  949    HB3  MET 111           HB3      MET 111 -11.189 -13.193   2.069
  950    HG2  MET 111           HG2      MET 111  -9.762 -14.224   3.543
  951    HG3  MET 111           HG3      MET 111  -9.283 -14.890   1.984
  952    HE1  MET 111           HE1      MET 111  -7.419 -15.843   3.691
  953    HE2  MET 111           HE2      MET 111  -6.165 -14.833   4.448
  954    HE3  MET 111           HE3      MET 111  -7.837 -14.761   5.045
  955    H    VAL 112           H        VAL 112 -11.548 -13.482  -1.489
  956    HA   VAL 112           HA       VAL 112 -12.788 -10.802  -1.705
  957    HB   VAL 112           HB       VAL 112 -13.558 -13.064  -3.502
  958   HG11  VAL 112          HG11      VAL 112 -13.529 -10.033  -3.815
  959   HG12  VAL 112          HG12      VAL 112 -14.158 -11.220  -4.983
  960   HG13  VAL 112          HG13      VAL 112 -14.955 -11.011  -3.412
  961   HG21  VAL 112          HG21      VAL 112 -11.132 -12.927  -3.761
  962   HG22  VAL 112          HG22      VAL 112 -11.925 -12.158  -5.139
  963   HG23  VAL 112          HG23      VAL 112 -11.218 -11.150  -3.852
  964    H    TYR 113           H        TYR 113 -14.370 -10.292  -0.458
  965    HA   TYR 113           HA       TYR 113 -16.112 -12.330   0.743
  966    HB2  TYR 113           HB2      TYR 113 -15.398 -11.091   2.430
  967    HB3  TYR 113           HB3      TYR 113 -15.293  -9.612   1.491
  968    HD1  TYR 113           HD1      TYR 113 -18.200 -11.900   2.318
  969    HD2  TYR 113           HD2      TYR 113 -16.459  -7.950   2.542
  970    HE1  TYR 113           HE1      TYR 113 -20.305 -11.008   3.310
  971    HE2  TYR 113           HE2      TYR 113 -18.565  -7.083   3.543
  972    HH   TYR 113           HH       TYR 113 -20.719  -7.565   4.178
  973    H    ALA 114           H        ALA 114 -18.120 -12.876   0.129
  974    HA   ALA 114           HA       ALA 114 -19.609 -11.024  -1.663
  975    HB1  ALA 114           HB1      ALA 114 -17.907 -12.233  -3.045
  976    HB2  ALA 114           HB2      ALA 114 -18.560 -13.774  -2.490
  977    HB3  ALA 114           HB3      ALA 114 -19.553 -12.694  -3.498
  978    H    SER 115           H        SER 115 -21.684 -11.795  -2.385
  979    HA   SER 115           HA       SER 115 -23.253 -13.346  -0.476
  980    HB2  SER 115           HB2      SER 115 -25.043 -12.829  -2.189
  981    HB3  SER 115           HB3      SER 115 -24.220 -11.404  -1.535
  982    HG   SER 115           HG       SER 115 -24.432 -11.378  -3.851
  983    H    GLN 116           H        GLN 116 -21.374 -14.153  -3.230
  984    HA   GLN 116           HA       GLN 116 -22.385 -16.898  -3.449
  985    HB2  GLN 116           HB2      GLN 116 -22.405 -16.459  -6.054
  986    HB3  GLN 116           HB3      GLN 116 -23.831 -16.240  -5.056
  987    HG2  GLN 116           HG2      GLN 116 -23.544 -14.479  -6.753
  988    HG3  GLN 116           HG3      GLN 116 -23.656 -13.870  -5.118
  989   HE21  GLN 116          HE21      GLN 116 -20.743 -11.963  -5.710
  990   HE22  GLN 116          HE22      GLN 116 -22.351 -12.062  -4.960
  991    H    GLU 117           H        GLU 117 -20.999 -18.243  -4.917
  992    HA   GLU 117           HA       GLU 117 -18.184 -17.523  -4.591
  993    HB2  GLU 117           HB2      GLU 117 -17.690 -19.703  -5.066
  994    HB3  GLU 117           HB3      GLU 117 -19.153 -19.810  -4.121
  995    HG2  GLU 117           HG2      GLU 117 -18.941 -20.125  -7.152
  996    HG3  GLU 117           HG3      GLU 117 -18.959 -21.428  -5.989
  997    H    THR 118           H        THR 118 -20.513 -17.254  -7.169
  998    HA   THR 118           HA       THR 118 -18.597 -15.978  -8.968
  999    HB   THR 118           HB       THR 118 -19.739 -17.473 -10.889
 1000    HG1  THR 118           HG1      THR 118 -20.842 -18.940  -9.613
 1001   HG21  THR 118          HG21      THR 118 -17.301 -18.489  -9.399
 1002   HG22  THR 118          HG22      THR 118 -17.754 -18.819 -11.086
 1003   HG23  THR 118          HG23      THR 118 -17.322 -17.172 -10.600
 1004    H    PHE 119           H        PHE 119 -19.744 -14.677 -10.441
 1005    HA   PHE 119           HA       PHE 119 -22.651 -14.869 -10.594
 1006    HB2  PHE 119           HB2      PHE 119 -22.583 -13.565  -8.701
 1007    HB3  PHE 119           HB3      PHE 119 -21.259 -12.584  -9.285
 1008    HD1  PHE 119           HD1      PHE 119 -21.636 -10.733 -10.890
 1009    HD2  PHE 119           HD2      PHE 119 -24.867 -13.117  -9.324
 1010    HE1  PHE 119           HE1      PHE 119 -23.268  -9.000 -11.625
 1011    HE2  PHE 119           HE2      PHE 119 -26.504 -11.388 -10.067
 1012    HZ   PHE 119           HZ       PHE 119 -25.705  -9.330 -11.214
 1013    H    GLY 120           H        GLY 120 -23.692 -13.967 -12.322
 1014    HA2  GLY 120           HA2      GLY 120 -23.251 -12.426 -14.385
 1015    HA3  GLY 120           HA3      GLY 120 -21.920 -13.544 -14.683
 1016    H1   ASP  10           H1       ASP  10  -7.519   3.990  11.072
 1017    H2   ASP  10           H2       ASP  10  -7.834   5.308  12.023
 1018    H3   ASP  10           H3       ASP  10  -6.474   4.406  12.264
 1019    HA   ASP  10           HA       ASP  10  -8.027   3.964  13.950
 1020    HB2  ASP  10           HB2      ASP  10  -9.960   3.334  11.736
 1021    HB3  ASP  10           HB3      ASP  10 -10.161   2.710  13.380
 1022    H    TYR  11           H        TYR  11  -8.139   2.011  15.092
 1023    HA   TYR  11           HA       TYR  11  -5.934   0.518  14.321
 1024    HB2  TYR  11           HB2      TYR  11  -7.743   0.266  16.675
 1025    HB3  TYR  11           HB3      TYR  11  -6.431  -0.862  16.419
 1026    HD1  TYR  11           HD1      TYR  11  -4.138   0.523  15.496
 1027    HD2  TYR  11           HD2      TYR  11  -7.148   1.900  18.272
 1028    HE1  TYR  11           HE1      TYR  11  -2.470   2.028  16.568
 1029    HE2  TYR  11           HE2      TYR  11  -5.488   3.420  19.315
 1030    HH   TYR  11           HH       TYR  11  -3.310   4.161  19.335
 1031    H    GLU  12           H        GLU  12  -8.939  -0.413  13.146
 1032    HA   GLU  12           HA       GLU  12  -8.111  -3.214  12.750
 1033    HB2  GLU  12           HB2      GLU  12 -10.345  -2.999  12.792
 1034    HB3  GLU  12           HB3      GLU  12 -10.392  -1.511  11.859
 1035    HG2  GLU  12           HG2      GLU  12  -9.674  -4.216  10.631
 1036    HG3  GLU  12           HG3      GLU  12 -11.316  -3.601  10.772
 1037    H    SER  13           H        SER  13  -7.540  -0.116  11.077
 1038    HA   SER  13           HA       SER  13  -6.305  -1.498   8.732
 1039    HB2  SER  13           HB2      SER  13  -7.600   1.198   9.060
 1040    HB3  SER  13           HB3      SER  13  -6.566   0.814   7.675
 1041    HG   SER  13           HG       SER  13  -8.804  -0.730   8.517
 1042    H    ASP  14           H        ASP  14  -5.247   0.329  11.431
 1043    HA   ASP  14           HA       ASP  14  -3.203   1.806  10.144
 1044    HB2  ASP  14           HB2      ASP  14  -3.860   1.359  13.031
 1045    HB3  ASP  14           HB3      ASP  14  -2.516   2.374  12.525
 1046    H    ASP  15           H        ASP  15  -1.160   1.208  12.465
 1047    HA   ASP  15           HA       ASP  15   0.346  -0.959  11.280
 1048    HB2  ASP  15           HB2      ASP  15   2.253   0.577  10.533
 1049    HB3  ASP  15           HB3      ASP  15   0.837   0.397   9.530
 1050    H    ASP  16           H        ASP  16   2.748  -0.876  11.975
 1051    HA   ASP  16           HA       ASP  16   4.263  -1.203  13.525
 1052    HB2  ASP  16           HB2      ASP  16   4.701   1.008  13.591
 1053    HB3  ASP  16           HB3      ASP  16   3.227   1.412  14.457
 1054    H    SER  17           H        SER  17   1.347  -0.615  15.417
 1055    HA   SER  17           HA       SER  17   1.345  -3.302  16.440
 1056    HB2  SER  17           HB2      SER  17   2.998  -2.346  18.043
 1057    HB3  SER  17           HB3      SER  17   1.818  -1.093  18.493
 1058    HG   SER  17           HG       SER  17   1.777  -2.908  19.926
 1059    H    TYR  18           H        TYR  18  -0.814  -3.728  16.223
 1060    HA   TYR  18           HA       TYR  18  -2.790  -1.750  17.046
 1061    HB2  TYR  18           HB2      TYR  18  -3.860  -1.549  14.888
 1062    HB3  TYR  18           HB3      TYR  18  -2.291  -0.790  14.989
 1063    HD1  TYR  18           HD1      TYR  18  -0.300  -2.821  14.071
 1064    HD2  TYR  18           HD2      TYR  18  -4.284  -1.888  12.738
 1065    HE1  TYR  18           HE1      TYR  18   0.236  -3.764  11.847
 1066    HE2  TYR  18           HE2      TYR  18  -3.739  -2.827  10.497
 1067    HH   TYR  18           HH       TYR  18  -0.552  -4.235   9.648
 1068    H    GLU  19           H        GLU  19  -4.995  -2.338  17.049
 1069    HA   GLU  19           HA       GLU  19  -5.447  -4.999  17.971
 1070    HB2  GLU  19           HB2      GLU  19  -7.514  -2.997  16.976
 1071    HB3  GLU  19           HB3      GLU  19  -7.832  -4.384  18.004
 1072    HG2  GLU  19           HG2      GLU  19  -6.202  -1.924  18.747
 1073    HG3  GLU  19           HG3      GLU  19  -7.835  -2.288  19.265
 1074    H    VAL  20           H        VAL  20  -5.896  -3.597  14.817
 1075    HA   VAL  20           HA       VAL  20  -6.349  -4.310  12.813
 1076    HB   VAL  20           HB       VAL  20  -4.045  -4.855  13.382
 1077   HG11  VAL  20          HG11      VAL  20  -4.772  -7.796  13.116
 1078   HG12  VAL  20          HG12      VAL  20  -3.212  -7.039  13.524
 1079   HG13  VAL  20          HG13      VAL  20  -4.503  -6.994  14.685
 1080   HG21  VAL  20          HG21      VAL  20  -5.117  -4.758  11.080
 1081   HG22  VAL  20          HG22      VAL  20  -3.605  -5.630  11.223
 1082   HG23  VAL  20          HG23      VAL  20  -5.150  -6.525  11.115
 1083    H    LEU  21           H        LEU  21  -6.634  -7.504  14.393
 1084    HA   LEU  21           HA       LEU  21  -8.795  -8.379  12.543
 1085    HB2  LEU  21           HB2      LEU  21  -6.859  -9.770  13.494
 1086    HB3  LEU  21           HB3      LEU  21  -7.640  -9.651  15.056
 1087    HG   LEU  21           HG       LEU  21  -9.577 -10.949  14.188
 1088   HD11  LEU  21          HD11      LEU  21  -7.931 -11.058  11.616
 1089   HD12  LEU  21          HD12      LEU  21  -9.346 -12.076  11.955
 1090   HD13  LEU  21          HD13      LEU  21  -9.553 -10.326  11.787
 1091   HD21  LEU  21          HD21      LEU  21  -8.412 -13.080  13.950
 1092   HD22  LEU  21          HD22      LEU  21  -6.908 -12.244  13.488
 1093   HD23  LEU  21          HD23      LEU  21  -7.541 -12.083  15.134
 1094    H    ASP  22           H        ASP  22  -8.726  -6.156  14.964
 1095    HA   ASP  22           HA       ASP  22  -9.928  -5.628  16.831
 1096    HB2  ASP  22           HB2      ASP  22 -11.086  -4.637  14.940
 1097    HB3  ASP  22           HB3      ASP  22 -12.048  -6.099  14.747
 1098    H    LEU  23           H        LEU  23  -9.059  -8.077  17.299
 1099    HA   LEU  23           HA       LEU  23 -11.286  -9.561  18.648
 1100    HB2  LEU  23           HB2      LEU  23 -10.638 -10.592  16.504
 1101    HB3  LEU  23           HB3      LEU  23  -8.963 -10.667  17.029
 1102    HG   LEU  23           HG       LEU  23  -9.608 -12.311  18.818
 1103   HD11  LEU  23          HD11      LEU  23 -12.337 -12.217  17.444
 1104   HD12  LEU  23          HD12      LEU  23 -11.823 -13.407  18.663
 1105   HD13  LEU  23          HD13      LEU  23 -11.978 -11.707  19.108
 1106   HD21  LEU  23          HD21      LEU  23  -8.746 -13.193  16.757
 1107   HD22  LEU  23          HD22      LEU  23 -10.060 -14.220  17.298
 1108   HD23  LEU  23          HD23      LEU  23 -10.333 -13.070  15.970
 1109    H    THR  24           H        THR  24  -8.135  -8.172  19.137
 1110    HA   THR  24           HA       THR  24  -6.547  -8.426  20.659
 1111    HB   THR  24           HB       THR  24  -8.343  -9.344  22.833
 1112    HG1  THR  24           HG1      THR  24  -9.245  -7.311  22.975
 1113   HG21  THR  24          HG21      THR  24  -5.988  -8.661  23.315
 1114   HG22  THR  24          HG22      THR  24  -6.321  -7.063  22.611
 1115   HG23  THR  24          HG23      THR  24  -7.172  -7.594  24.083
 1116    H    GLU  25           H        GLU  25  -6.654 -10.560  19.017
 1117    HA   GLU  25           HA       GLU  25  -5.986 -12.645  18.594
 1118    HB2  GLU  25           HB2      GLU  25  -3.779 -13.191  19.276
 1119    HB3  GLU  25           HB3      GLU  25  -3.921 -11.466  18.961
 1120    HG2  GLU  25           HG2      GLU  25  -3.942 -10.971  21.358
 1121    HG3  GLU  25           HG3      GLU  25  -3.953 -12.695  21.750
 1122    H    TYR  26           H        TYR  26  -7.957 -12.590  20.946
 1123    HA   TYR  26           HA       TYR  26  -7.730 -15.472  21.528
 1124    HB2  TYR  26           HB2      TYR  26  -8.102 -13.338  23.582
 1125    HB3  TYR  26           HB3      TYR  26  -8.698 -14.971  23.823
 1126    HD1  TYR  26           HD1      TYR  26  -7.134 -16.950  23.749
 1127    HD2  TYR  26           HD2      TYR  26  -5.739 -12.869  23.853
 1128    HE1  TYR  26           HE1      TYR  26  -4.893 -17.733  24.525
 1129    HE2  TYR  26           HE2      TYR  26  -3.495 -13.654  24.623
 1130    HH   TYR  26           HH       TYR  26  -2.765 -17.128  25.143
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -8.251   4.357   8.711
    2    H2   MET   1           H2       MET   1  -7.959   5.806   8.027
    3    H3   MET   1           H3       MET   1  -9.438   5.506   8.633
    4    HA   MET   1           HA       MET   1  -9.399   5.466   6.228
    5    HB2  MET   1           HB2      MET   1  -8.242   3.939   4.910
    6    HB3  MET   1           HB3      MET   1  -7.070   4.637   6.013
    7    HG2  MET   1           HG2      MET   1  -7.027   2.547   7.323
    8    HG3  MET   1           HG3      MET   1  -8.326   1.880   6.322
    9    HE1  MET   1           HE1      MET   1  -5.892   0.023   6.585
   10    HE2  MET   1           HE2      MET   1  -7.287  -0.226   5.514
   11    HE3  MET   1           HE3      MET   1  -5.641  -0.389   4.872
   12    HA   PRO   2           HA       PRO   2 -11.613   1.196   6.662
   13    HB2  PRO   2           HB2      PRO   2 -12.978   0.758   9.050
   14    HB3  PRO   2           HB3      PRO   2 -11.394   0.071   8.635
   15    HG2  PRO   2           HG2      PRO   2 -11.990   2.553  10.251
   16    HG3  PRO   2           HG3      PRO   2 -10.841   1.228  10.626
   17    HD2  PRO   2           HD2      PRO   2 -10.025   3.527   9.581
   18    HD3  PRO   2           HD3      PRO   2  -9.301   1.989   9.003
   19    H    SER   3           H        SER   3 -13.272   1.594   5.411
   20    HA   SER   3           HA       SER   3 -15.563   3.326   6.087
   21    HB2  SER   3           HB2      SER   3 -13.758   4.895   5.438
   22    HB3  SER   3           HB3      SER   3 -13.526   4.016   3.919
   23    HG   SER   3           HG       SER   3 -14.916   5.993   3.921
   24    H    GLU   4           H        GLU   4 -16.893   3.581   3.933
   25    HA   GLU   4           HA       GLU   4 -17.664   1.027   2.818
   26    HB2  GLU   4           HB2      GLU   4 -18.040   3.870   1.787
   27    HB3  GLU   4           HB3      GLU   4 -18.866   2.453   1.139
   28    HG2  GLU   4           HG2      GLU   4 -20.021   2.109   3.275
   29    HG3  GLU   4           HG3      GLU   4 -19.170   3.485   3.991
   30    H    LYS   5           H        LYS   5 -15.402   3.534   1.839
   31    HA   LYS   5           HA       LYS   5 -14.778   2.394  -0.813
   32    HB2  LYS   5           HB2      LYS   5 -13.739   4.785   0.741
   33    HB3  LYS   5           HB3      LYS   5 -13.018   4.242  -0.765
   34    HG2  LYS   5           HG2      LYS   5 -14.505   6.042  -1.247
   35    HG3  LYS   5           HG3      LYS   5 -15.144   4.564  -1.965
   36    HD2  LYS   5           HD2      LYS   5 -16.869   4.408  -0.261
   37    HD3  LYS   5           HD3      LYS   5 -16.137   5.741   0.670
   38    HE2  LYS   5           HE2      LYS   5 -16.598   7.272  -1.253
   39    HE3  LYS   5           HE3      LYS   5 -17.347   5.932  -2.123
   40    HZ1  LYS   5           HZ1      LYS   5 -19.031   7.272  -0.996
   41    HZ2  LYS   5           HZ2      LYS   5 -19.016   5.795  -0.298
   42    HZ3  LYS   5           HZ3      LYS   5 -18.325   7.069   0.456
   43    H    THR   6           H        THR   6 -12.867   1.401  -1.414
   44    HA   THR   6           HA       THR   6 -11.553  -0.171   0.617
   45    HB   THR   6           HB       THR   6 -10.543  -1.425  -0.923
   46    HG1  THR   6           HG1      THR   6  -9.947  -0.601  -3.010
   47   HG21  THR   6          HG21      THR   6 -11.922  -1.823  -2.859
   48   HG22  THR   6          HG22      THR   6 -12.996  -1.381  -1.526
   49   HG23  THR   6          HG23      THR   6 -12.609  -0.193  -2.800
   50    H    PHE   7           H        PHE   7  -9.152  -0.398   0.886
   51    HA   PHE   7           HA       PHE   7  -8.037   2.100   1.780
   52    HB2  PHE   7           HB2      PHE   7  -5.970   0.801   2.189
   53    HB3  PHE   7           HB3      PHE   7  -7.422   0.113   2.893
   54    HD1  PHE   7           HD1      PHE   7  -5.145  -0.195  -0.072
   55    HD2  PHE   7           HD2      PHE   7  -8.036  -2.143   2.482
   56    HE1  PHE   7           HE1      PHE   7  -4.832  -2.319  -1.327
   57    HE2  PHE   7           HE2      PHE   7  -7.712  -4.249   1.226
   58    HZ   PHE   7           HZ       PHE   7  -6.126  -4.334  -0.696
   59    H    LYS   8           H        LYS   8  -8.106   0.845  -1.454
   60    HA   LYS   8           HA       LYS   8  -5.574   1.824  -2.386
   61    HB2  LYS   8           HB2      LYS   8  -6.935   0.160  -3.574
   62    HB3  LYS   8           HB3      LYS   8  -8.212   1.349  -3.833
   63    HG2  LYS   8           HG2      LYS   8  -6.973   0.981  -5.866
   64    HG3  LYS   8           HG3      LYS   8  -6.770   2.641  -5.334
   65    HD2  LYS   8           HD2      LYS   8  -4.526   1.969  -4.336
   66    HD3  LYS   8           HD3      LYS   8  -4.738   0.369  -5.051
   67    HE2  LYS   8           HE2      LYS   8  -4.633   3.036  -6.560
   68    HE3  LYS   8           HE3      LYS   8  -3.270   1.940  -6.353
   69    HZ1  LYS   8           HZ1      LYS   8  -4.312   1.586  -8.504
   70    HZ2  LYS   8           HZ2      LYS   8  -4.528   0.240  -7.613
   71    HZ3  LYS   8           HZ3      LYS   8  -5.772   1.282  -7.846
   72    H    GLN   9           H        GLN   9  -8.462   3.523  -1.585
   73    HA   GLN   9           HA       GLN   9  -8.012   6.032  -2.879
   74    HB2  GLN   9           HB2      GLN   9 -10.083   5.228  -1.746
   75    HB3  GLN   9           HB3      GLN   9  -9.284   5.389  -0.179
   76    HG2  GLN   9           HG2      GLN   9  -9.150   7.812  -0.443
   77    HG3  GLN   9           HG3      GLN   9  -9.702   7.694  -2.126
   78   HE21  GLN   9          HE21      GLN   9 -12.495   7.238   0.877
   79   HE22  GLN   9          HE22      GLN   9 -10.802   6.952   1.253
   80    H    ARG  10           H        ARG  10  -6.221   4.493  -0.337
   81    HA   ARG  10           HA       ARG  10  -4.658   6.986   0.230
   82    HB2  ARG  10           HB2      ARG  10  -6.204   6.641   2.027
   83    HB3  ARG  10           HB3      ARG  10  -5.751   4.939   2.182
   84    HG2  ARG  10           HG2      ARG  10  -3.524   5.541   2.991
   85    HG3  ARG  10           HG3      ARG  10  -3.835   7.264   2.706
   86    HD2  ARG  10           HD2      ARG  10  -5.472   7.379   4.424
   87    HD3  ARG  10           HD3      ARG  10  -5.640   5.636   4.531
   88    HE   ARG  10           HE       ARG  10  -3.583   7.320   5.780
   89   HH11  ARG  10          HH11      ARG  10  -2.162   6.386   7.270
   90   HH12  ARG  10          HH12      ARG  10  -2.026   4.627   7.291
   91   HH21  ARG  10          HH21      ARG  10  -4.325   3.946   4.958
   92   HH22  ARG  10          HH22      ARG  10  -3.111   3.388   6.108
   93    H    ARG  11           H        ARG  11  -4.423   3.347   0.409
   94    HA   ARG  11           HA       ARG  11  -1.463   3.604   0.506
   95    HB2  ARG  11           HB2      ARG  11  -3.349   1.234   0.833
   96    HB3  ARG  11           HB3      ARG  11  -1.606   1.108   0.948
   97    HG2  ARG  11           HG2      ARG  11  -3.106   2.992   2.806
   98    HG3  ARG  11           HG3      ARG  11  -3.091   1.257   3.093
   99    HD2  ARG  11           HD2      ARG  11  -1.384   2.083   4.426
  100    HD3  ARG  11           HD3      ARG  11  -0.561   1.312   3.080
  101    HE   ARG  11           HE       ARG  11  -0.257   3.644   2.104
  102   HH11  ARG  11          HH11      ARG  11   0.872   5.396   2.484
  103   HH12  ARG  11          HH12      ARG  11   1.275   5.888   4.116
  104   HH21  ARG  11          HH21      ARG  11  -0.486   3.344   5.641
  105   HH22  ARG  11          HH22      ARG  11   0.592   4.698   5.840
  106    H    THR  12           H        THR  12  -0.088   2.371  -0.798
  107    HA   THR  12           HA       THR  12  -1.096   1.485  -3.446
  108    HB   THR  12           HB       THR  12   0.546   2.563  -4.675
  109    HG1  THR  12           HG1      THR  12   2.302   3.607  -3.729
  110   HG21  THR  12          HG21      THR  12   0.360   4.927  -4.240
  111   HG22  THR  12          HG22      THR  12  -1.201   4.169  -3.884
  112   HG23  THR  12          HG23      THR  12  -0.116   4.652  -2.554
  113    H    PHE  13           H        PHE  13   0.560   0.121  -4.693
  114    HA   PHE  13           HA       PHE  13   1.069  -2.173  -3.194
  115    HB2  PHE  13           HB2      PHE  13   0.768  -2.440  -5.468
  116    HB3  PHE  13           HB3      PHE  13   2.004  -1.269  -5.881
  117    HD1  PHE  13           HD1      PHE  13   1.356  -4.781  -5.171
  118    HD2  PHE  13           HD2      PHE  13   4.449  -1.825  -5.693
  119    HE1  PHE  13           HE1      PHE  13   3.039  -6.591  -5.514
  120    HE2  PHE  13           HE2      PHE  13   6.120  -3.626  -6.012
  121    HZ   PHE  13           HZ       PHE  13   5.421  -6.009  -5.917
  122    H    GLU  14           H        GLU  14   3.588   0.234  -4.009
  123    HA   GLU  14           HA       GLU  14   5.699  -1.182  -2.665
  124    HB2  GLU  14           HB2      GLU  14   5.333   1.785  -3.247
  125    HB3  GLU  14           HB3      GLU  14   6.832   1.075  -2.664
  126    HG2  GLU  14           HG2      GLU  14   5.472   0.374  -5.303
  127    HG3  GLU  14           HG3      GLU  14   6.796   1.510  -5.112
  128    H    GLN  15           H        GLN  15   3.354   1.243  -1.484
  129    HA   GLN  15           HA       GLN  15   4.514   1.531   1.149
  130    HB2  GLN  15           HB2      GLN  15   1.648   1.944   0.208
  131    HB3  GLN  15           HB3      GLN  15   2.309   2.464   1.760
  132    HG2  GLN  15           HG2      GLN  15   3.840   4.019   0.657
  133    HG3  GLN  15           HG3      GLN  15   3.325   3.464  -0.938
  134   HE21  GLN  15          HE21      GLN  15   1.285   6.439  -0.604
  135   HE22  GLN  15          HE22      GLN  15   2.882   5.927  -1.135
  136    H    ARG  16           H        ARG  16   1.940  -0.610  -0.167
  137    HA   ARG  16           HA       ARG  16   1.401  -1.933   2.356
  138    HB2  ARG  16           HB2      ARG  16   0.840  -2.781  -0.511
  139    HB3  ARG  16           HB3      ARG  16   0.345  -3.694   0.924
  140    HG2  ARG  16           HG2      ARG  16  -0.812  -1.563   1.756
  141    HG3  ARG  16           HG3      ARG  16  -0.548  -0.899   0.141
  142    HD2  ARG  16           HD2      ARG  16  -2.180  -3.367   0.860
  143    HD3  ARG  16           HD3      ARG  16  -2.796  -1.813   0.337
  144    HE   ARG  16           HE       ARG  16  -2.014  -2.182  -1.888
  145   HH11  ARG  16          HH11      ARG  16  -1.777  -3.653  -3.640
  146   HH12  ARG  16          HH12      ARG  16  -1.476  -5.344  -3.220
  147   HH21  ARG  16          HH21      ARG  16  -1.646  -5.130   0.068
  148   HH22  ARG  16          HH22      ARG  16  -1.466  -6.071  -1.425
  149    H    VAL  17           H        VAL  17   3.721  -2.676  -0.266
  150    HA   VAL  17           HA       VAL  17   4.678  -5.159   0.866
  151    HB   VAL  17           HB       VAL  17   5.865  -3.136  -1.064
  152   HG11  VAL  17          HG11      VAL  17   7.142  -5.738  -0.122
  153   HG12  VAL  17          HG12      VAL  17   7.640  -4.819  -1.562
  154   HG13  VAL  17          HG13      VAL  17   7.825  -4.101   0.036
  155   HG21  VAL  17          HG21      VAL  17   3.986  -4.662  -1.814
  156   HG22  VAL  17          HG22      VAL  17   5.498  -4.916  -2.693
  157   HG23  VAL  17          HG23      VAL  17   5.015  -6.043  -1.410
  158    H    GLU  18           H        GLU  18   5.876  -1.732   1.263
  159    HA   GLU  18           HA       GLU  18   7.897  -2.378   3.183
  160    HB2  GLU  18           HB2      GLU  18   6.256   0.109   2.637
  161    HB3  GLU  18           HB3      GLU  18   7.368   0.032   4.013
  162    HG2  GLU  18           HG2      GLU  18   9.241  -0.470   2.590
  163    HG3  GLU  18           HG3      GLU  18   8.212  -0.549   1.150
  164    H    ASP  19           H        ASP  19   4.482  -1.426   3.758
  165    HA   ASP  19           HA       ASP  19   4.457  -1.832   6.554
  166    HB2  ASP  19           HB2      ASP  19   2.732  -0.598   5.690
  167    HB3  ASP  19           HB3      ASP  19   2.356  -1.784   4.450
  168    H    VAL  20           H        VAL  20   3.665  -4.357   4.096
  169    HA   VAL  20           HA       VAL  20   3.260  -6.291   6.103
  170    HB   VAL  20           HB       VAL  20   2.680  -6.333   3.546
  171   HG11  VAL  20          HG11      VAL  20   3.907  -7.973   2.286
  172   HG12  VAL  20          HG12      VAL  20   4.996  -6.657   2.701
  173   HG13  VAL  20          HG13      VAL  20   5.087  -8.203   3.586
  174   HG21  VAL  20          HG21      VAL  20   3.246  -8.801   5.223
  175   HG22  VAL  20          HG22      VAL  20   1.772  -7.796   5.245
  176   HG23  VAL  20          HG23      VAL  20   2.179  -8.724   3.797
  177    H    ARG  21           H        ARG  21   6.288  -5.472   4.471
  178    HA   ARG  21           HA       ARG  21   7.881  -7.545   5.726
  179    HB2  ARG  21           HB2      ARG  21   8.604  -4.824   4.546
  180    HB3  ARG  21           HB3      ARG  21   9.804  -5.961   5.147
  181    HG2  ARG  21           HG2      ARG  21   7.839  -6.625   2.910
  182    HG3  ARG  21           HG3      ARG  21   9.460  -5.984   2.659
  183    HD2  ARG  21           HD2      ARG  21  10.402  -7.983   3.865
  184    HD3  ARG  21           HD3      ARG  21   8.770  -8.629   3.988
  185    HE   ARG  21           HE       ARG  21   8.719  -9.122   1.723
  186   HH11  ARG  21          HH11      ARG  21  11.744  -7.451   2.362
  187   HH12  ARG  21          HH12      ARG  21  12.437  -7.949   0.846
  188   HH21  ARG  21          HH21      ARG  21   9.664  -9.695  -0.201
  189   HH22  ARG  21          HH22      ARG  21  11.285  -9.184  -0.561
  190    H    LEU  22           H        LEU  22   7.230  -4.157   6.689
  191    HA   LEU  22           HA       LEU  22   8.721  -4.231   9.136
  192    HB2  LEU  22           HB2      LEU  22   6.303  -2.622   8.212
  193    HB3  LEU  22           HB3      LEU  22   7.031  -2.377   9.798
  194    HG   LEU  22           HG       LEU  22   8.736  -2.285   7.303
  195   HD11  LEU  22          HD11      LEU  22   8.436   0.138   7.167
  196   HD12  LEU  22          HD12      LEU  22   6.885  -0.672   6.944
  197   HD13  LEU  22          HD13      LEU  22   7.254   0.092   8.504
  198   HD21  LEU  22          HD21      LEU  22   9.906  -2.339   9.482
  199   HD22  LEU  22          HD22      LEU  22  10.144  -0.793   8.666
  200   HD23  LEU  22          HD23      LEU  22   8.994  -0.917  10.017
  201    H    ILE  23           H        ILE  23   5.232  -4.900   8.548
  202    HA   ILE  23           HA       ILE  23   4.555  -5.606  11.193
  203    HB   ILE  23           HB       ILE  23   3.390  -6.004   8.487
  204   HG12  ILE  23          HG12      ILE  23   1.455  -4.990   9.451
  205   HG13  ILE  23          HG13      ILE  23   2.013  -5.283  11.095
  206   HG21  ILE  23          HG21      ILE  23   3.061  -8.287   9.245
  207   HG22  ILE  23          HG22      ILE  23   2.375  -7.707  10.792
  208   HG23  ILE  23          HG23      ILE  23   1.558  -7.405   9.242
  209   HD11  ILE  23          HD11      ILE  23   3.787  -3.535  10.777
  210   HD12  ILE  23          HD12      ILE  23   3.148  -3.236   9.148
  211   HD13  ILE  23          HD13      ILE  23   2.141  -2.926  10.564
  212    H    ARG  24           H        ARG  24   5.748  -7.852   8.627
  213    HA   ARG  24           HA       ARG  24   5.585 -10.107  10.423
  214    HB2  ARG  24           HB2      ARG  24   5.800  -9.925   7.736
  215    HB3  ARG  24           HB3      ARG  24   7.518 -10.073   8.096
  216    HG2  ARG  24           HG2      ARG  24   6.783 -12.302   7.750
  217    HG3  ARG  24           HG3      ARG  24   6.857 -12.156   9.505
  218    HD2  ARG  24           HD2      ARG  24   4.289 -11.435   9.231
  219    HD3  ARG  24           HD3      ARG  24   4.426 -12.273   7.690
  220    HE   ARG  24           HE       ARG  24   4.176 -13.409  10.322
  221   HH11  ARG  24          HH11      ARG  24   4.845 -15.372  10.975
  222   HH12  ARG  24          HH12      ARG  24   5.465 -16.533   9.818
  223   HH21  ARG  24          HH21      ARG  24   5.513 -14.300   7.190
  224   HH22  ARG  24          HH22      ARG  24   5.989 -15.875   7.759
  225    H    GLU  25           H        GLU  25   8.101  -7.689   9.985
  226    HA   GLU  25           HA       GLU  25  10.042  -9.108  11.654
  227    HB2  GLU  25           HB2      GLU  25   9.869  -6.260  10.637
  228    HB3  GLU  25           HB3      GLU  25  11.138  -6.822  11.737
  229    HG2  GLU  25           HG2      GLU  25  11.823  -8.554  10.148
  230    HG3  GLU  25           HG3      GLU  25  10.552  -8.089   9.027
  231    H    GLN  26           H        GLN  26   7.715  -6.390  12.342
  232    HA   GLN  26           HA       GLN  26   8.523  -6.346  15.124
  233    HB2  GLN  26           HB2      GLN  26   6.671  -4.850  15.531
  234    HB3  GLN  26           HB3      GLN  26   7.713  -4.308  14.225
  235    HG2  GLN  26           HG2      GLN  26   6.072  -4.532  12.606
  236    HG3  GLN  26           HG3      GLN  26   5.207  -5.808  13.487
  237   HE21  GLN  26          HE21      GLN  26   2.846  -3.114  13.880
  238   HE22  GLN  26          HE22      GLN  26   3.207  -4.546  12.940
  239    H    HIS  27           H        HIS  27   5.964  -8.155  13.465
  240    HA   HIS  27           HA       HIS  27   5.435  -9.653  16.009
  241    HB2  HIS  27           HB2      HIS  27   3.279  -8.563  14.157
  242    HB3  HIS  27           HB3      HIS  27   3.016  -9.565  15.587
  243    HD1  HIS  27           HD1      HIS  27   4.501  -8.082  17.853
  244    HD2  HIS  27           HD2      HIS  27   2.321  -6.245  14.738
  245    HE1  HIS  27           HE1      HIS  27   3.769  -5.776  18.740
  246    HE2  HIS  27           HE2      HIS  27   2.465  -4.650  16.826
  247    HA   PRO  28           HA       PRO  28   6.398 -12.418  12.370
  248    HB2  PRO  28           HB2      PRO  28   7.463 -14.061  14.676
  249    HB3  PRO  28           HB3      PRO  28   8.130 -13.864  13.025
  250    HG2  PRO  28           HG2      PRO  28   9.204 -12.495  15.098
  251    HG3  PRO  28           HG3      PRO  28   8.918 -11.654  13.542
  252    HD2  PRO  28           HD2      PRO  28   7.227 -11.595  16.048
  253    HD3  PRO  28           HD3      PRO  28   7.716 -10.253  14.974
  254    H    THR  29           H        THR  29   4.847 -13.279  15.471
  255    HA   THR  29           HA       THR  29   3.551 -15.650  14.479
  256    HB   THR  29           HB       THR  29   2.451 -15.847  16.509
  257    HG1  THR  29           HG1      THR  29   2.205 -14.118  17.937
  258   HG21  THR  29          HG21      THR  29   4.970 -16.005  16.716
  259   HG22  THR  29          HG22      THR  29   4.974 -14.328  17.314
  260   HG23  THR  29          HG23      THR  29   4.120 -15.590  18.218
  261    H    LYS  30           H        LYS  30   2.756 -12.387  13.868
  262    HA   LYS  30           HA       LYS  30  -0.070 -13.072  13.227
  263    HB2  LYS  30           HB2      LYS  30   1.426 -10.436  13.256
  264    HB3  LYS  30           HB3      LYS  30  -0.192 -10.625  12.565
  265    HG2  LYS  30           HG2      LYS  30  -1.103 -11.393  14.691
  266    HG3  LYS  30           HG3      LYS  30   0.499 -11.352  15.447
  267    HD2  LYS  30           HD2      LYS  30   0.615  -8.921  15.202
  268    HD3  LYS  30           HD3      LYS  30  -0.909  -8.897  14.297
  269    HE2  LYS  30           HE2      LYS  30  -2.173  -9.643  16.239
  270    HE3  LYS  30           HE3      LYS  30  -0.701  -9.940  17.162
  271    HZ1  LYS  30           HZ1      LYS  30  -0.276  -7.589  17.271
  272    HZ2  LYS  30           HZ2      LYS  30  -1.461  -7.222  16.196
  273    HZ3  LYS  30           HZ3      LYS  30  -1.848  -7.756  17.686
  274    H    ILE  31           H        ILE  31  -0.945 -12.903  11.275
  275    HA   ILE  31           HA       ILE  31   0.834 -13.424   8.939
  276    HB   ILE  31           HB       ILE  31  -1.861 -14.609   9.704
  277   HG12  ILE  31          HG12      ILE  31  -0.115 -15.452  11.188
  278   HG13  ILE  31          HG13      ILE  31  -0.704 -16.699  10.104
  279   HG21  ILE  31          HG21      ILE  31  -0.057 -15.200   7.341
  280   HG22  ILE  31          HG22      ILE  31  -1.444 -16.202   7.838
  281   HG23  ILE  31          HG23      ILE  31  -1.707 -14.542   7.292
  282   HD11  ILE  31          HD11      ILE  31   1.331 -16.498   8.704
  283   HD12  ILE  31          HD12      ILE  31   1.941 -15.211   9.769
  284   HD13  ILE  31          HD13      ILE  31   1.729 -16.850  10.392
  285    HA   PRO  32           HA       PRO  32  -1.445  -9.920   7.369
  286    HB2  PRO  32           HB2      PRO  32  -0.215  -9.522   4.988
  287    HB3  PRO  32           HB3      PRO  32   0.643  -9.339   6.554
  288    HG2  PRO  32           HG2      PRO  32   0.589 -11.770   4.733
  289    HG3  PRO  32           HG3      PRO  32   2.032 -10.942   5.400
  290    HD2  PRO  32           HD2      PRO  32   0.948 -13.139   6.592
  291    HD3  PRO  32           HD3      PRO  32   1.652 -11.800   7.547
  292    H    VAL  33           H        VAL  33  -3.432  -9.714   6.564
  293    HA   VAL  33           HA       VAL  33  -4.355 -11.430   4.304
  294    HB   VAL  33           HB       VAL  33  -5.866 -10.962   6.901
  295   HG11  VAL  33          HG11      VAL  33  -6.563 -12.610   4.435
  296   HG12  VAL  33          HG12      VAL  33  -7.442 -12.670   5.982
  297   HG13  VAL  33          HG13      VAL  33  -7.440 -11.185   5.041
  298   HG21  VAL  33          HG21      VAL  33  -4.479 -13.457   5.857
  299   HG22  VAL  33          HG22      VAL  33  -4.104 -12.564   7.344
  300   HG23  VAL  33          HG23      VAL  33  -5.630 -13.440   7.206
  301    H    ILE  34           H        ILE  34  -5.885 -10.489   2.924
  302    HA   ILE  34           HA       ILE  34  -6.973  -7.803   3.695
  303    HB   ILE  34           HB       ILE  34  -5.480  -8.499   1.185
  304   HG12  ILE  34          HG12      ILE  34  -5.726  -5.863   2.710
  305   HG13  ILE  34          HG13      ILE  34  -4.591  -7.120   3.183
  306   HG21  ILE  34          HG21      ILE  34  -7.789  -6.512   1.328
  307   HG22  ILE  34          HG22      ILE  34  -6.551  -6.522   0.051
  308   HG23  ILE  34          HG23      ILE  34  -7.621  -7.902   0.224
  309   HD11  ILE  34          HD11      ILE  34  -3.388  -5.533   1.897
  310   HD12  ILE  34          HD12      ILE  34  -3.544  -7.003   0.909
  311   HD13  ILE  34          HD13      ILE  34  -4.560  -5.587   0.573
  312    H    ILE  35           H        ILE  35  -9.145  -7.684   3.479
  313    HA   ILE  35           HA       ILE  35 -10.467  -9.735   1.794
  314    HB   ILE  35           HB       ILE  35 -10.968 -10.078   4.177
  315   HG12  ILE  35          HG12      ILE  35 -13.400  -9.268   2.502
  316   HG13  ILE  35          HG13      ILE  35 -12.483 -10.767   2.296
  317   HG21  ILE  35          HG21      ILE  35 -11.038  -7.653   4.867
  318   HG22  ILE  35          HG22      ILE  35 -12.593  -7.491   4.032
  319   HG23  ILE  35          HG23      ILE  35 -12.416  -8.586   5.425
  320   HD11  ILE  35          HD11      ILE  35 -12.977 -11.373   4.675
  321   HD12  ILE  35          HD12      ILE  35 -14.073  -9.973   4.758
  322   HD13  ILE  35          HD13      ILE  35 -14.406 -11.290   3.625
  323    H    GLU  36           H        GLU  36 -11.839  -9.059   0.225
  324    HA   GLU  36           HA       GLU  36 -12.730  -6.204   0.126
  325    HB2  GLU  36           HB2      GLU  36 -10.436  -6.396  -0.988
  326    HB3  GLU  36           HB3      GLU  36 -11.134  -7.600  -2.078
  327    HG2  GLU  36           HG2      GLU  36 -12.849  -5.739  -2.710
  328    HG3  GLU  36           HG3      GLU  36 -11.759  -4.631  -1.885
  329    H    ARG  37           H        ARG  37 -14.610  -5.981  -0.631
  330    HA   ARG  37           HA       ARG  37 -16.407  -8.120  -1.272
  331    HB2  ARG  37           HB2      ARG  37 -16.784  -5.940  -0.183
  332    HB3  ARG  37           HB3      ARG  37 -16.578  -5.115  -1.736
  333    HG2  ARG  37           HG2      ARG  37 -18.636  -6.253  -2.569
  334    HG3  ARG  37           HG3      ARG  37 -18.804  -7.068  -0.995
  335    HD2  ARG  37           HD2      ARG  37 -18.792  -4.032  -1.422
  336    HD3  ARG  37           HD3      ARG  37 -20.211  -5.020  -1.135
  337    HE   ARG  37           HE       ARG  37 -19.661  -5.330   1.101
  338   HH11  ARG  37          HH11      ARG  37 -17.183  -3.192  -0.279
  339   HH12  ARG  37          HH12      ARG  37 -16.539  -2.837   1.294
  340   HH21  ARG  37          HH21      ARG  37 -18.798  -4.746   3.024
  341   HH22  ARG  37          HH22      ARG  37 -17.437  -3.662   3.128
  342    H    TYR  38           H        TYR  38 -17.310  -8.771  -3.214
  343    HA   TYR  38           HA       TYR  38 -15.618  -8.934  -5.368
  344    HB2  TYR  38           HB2      TYR  38 -16.992 -10.676  -5.142
  345    HB3  TYR  38           HB3      TYR  38 -18.431  -9.692  -4.926
  346    HD1  TYR  38           HD1      TYR  38 -20.056  -9.912  -6.558
  347    HD2  TYR  38           HD2      TYR  38 -15.897 -10.383  -7.652
  348    HE1  TYR  38           HE1      TYR  38 -20.720 -10.414  -8.897
  349    HE2  TYR  38           HE2      TYR  38 -16.584 -10.854  -9.999
  350    HH   TYR  38           HH       TYR  38 -20.016 -10.958 -11.021
  351    H    LYS  39           H        LYS  39 -14.984  -7.932  -7.118
  352    HA   LYS  39           HA       LYS  39 -15.652  -5.203  -7.528
  353    HB2  LYS  39           HB2      LYS  39 -14.147  -7.237  -9.213
  354    HB3  LYS  39           HB3      LYS  39 -14.401  -5.581  -9.763
  355    HG2  LYS  39           HG2      LYS  39 -13.285  -4.679  -7.773
  356    HG3  LYS  39           HG3      LYS  39 -12.995  -6.322  -7.164
  357    HD2  LYS  39           HD2      LYS  39 -11.547  -6.846  -9.046
  358    HD3  LYS  39           HD3      LYS  39 -12.039  -5.387  -9.901
  359    HE2  LYS  39           HE2      LYS  39  -9.818  -5.080  -9.060
  360    HE3  LYS  39           HE3      LYS  39 -10.916  -3.961  -8.251
  361    HZ1  LYS  39           HZ1      LYS  39 -10.832  -5.298  -6.261
  362    HZ2  LYS  39           HZ2      LYS  39 -10.039  -6.533  -7.022
  363    HZ3  LYS  39           HZ3      LYS  39  -9.297  -5.107  -6.752
  364    H    GLY  40           H        GLY  40 -16.955  -8.051  -9.190
  365    HA2  GLY  40           HA2      GLY  40 -18.201  -6.596 -11.349
  366    HA3  GLY  40           HA3      GLY  40 -18.520  -8.265 -10.885
  367    H    GLU  41           H        GLU  41 -19.344  -7.474  -8.092
  368    HA   GLU  41           HA       GLU  41 -21.567  -5.614  -8.379
  369    HB2  GLU  41           HB2      GLU  41 -22.622  -7.669  -9.266
  370    HB3  GLU  41           HB3      GLU  41 -22.087  -8.558  -7.847
  371    HG2  GLU  41           HG2      GLU  41 -24.362  -8.163  -7.495
  372    HG3  GLU  41           HG3      GLU  41 -23.535  -7.076  -6.418
  373    H    LYS  42           H        LYS  42 -21.724  -4.491  -6.564
  374    HA   LYS  42           HA       LYS  42 -20.591  -5.321  -3.979
  375    HB2  LYS  42           HB2      LYS  42 -22.340  -2.946  -4.752
  376    HB3  LYS  42           HB3      LYS  42 -21.457  -3.111  -3.240
  377    HG2  LYS  42           HG2      LYS  42 -20.121  -2.914  -5.988
  378    HG3  LYS  42           HG3      LYS  42 -20.476  -1.548  -4.941
  379    HD2  LYS  42           HD2      LYS  42 -18.991  -2.421  -3.195
  380    HD3  LYS  42           HD3      LYS  42 -18.682  -3.878  -4.152
  381    HE2  LYS  42           HE2      LYS  42 -16.788  -2.317  -4.287
  382    HE3  LYS  42           HE3      LYS  42 -17.508  -2.598  -5.865
  383    HZ1  LYS  42           HZ1      LYS  42 -18.034  -0.181  -4.186
  384    HZ2  LYS  42           HZ2      LYS  42 -17.014  -0.236  -5.460
  385    HZ3  LYS  42           HZ3      LYS  42 -18.607  -0.430  -5.707
  386    H    GLN  43           H        GLN  43 -22.112  -7.331  -4.483
  387    HA   GLN  43           HA       GLN  43 -24.933  -7.084  -4.127
  388    HB2  GLN  43           HB2      GLN  43 -23.569  -8.945  -5.294
  389    HB3  GLN  43           HB3      GLN  43 -23.273  -9.623  -3.701
  390    HG2  GLN  43           HG2      GLN  43 -25.606 -10.060  -3.351
  391    HG3  GLN  43           HG3      GLN  43 -26.082  -8.982  -4.666
  392   HE21  GLN  43          HE21      GLN  43 -26.633 -12.321  -6.051
  393   HE22  GLN  43          HE22      GLN  43 -27.359 -11.268  -4.846
  394    H    LEU  44           H        LEU  44 -22.409  -7.786  -1.816
  395    HA   LEU  44           HA       LEU  44 -24.402  -8.126   0.361
  396    HB2  LEU  44           HB2      LEU  44 -21.575  -9.074  -0.112
  397    HB3  LEU  44           HB3      LEU  44 -22.313  -9.132   1.501
  398    HG   LEU  44           HG       LEU  44 -23.043 -10.720  -0.962
  399   HD11  LEU  44          HD11      LEU  44 -22.703 -12.614   0.544
  400   HD12  LEU  44          HD12      LEU  44 -21.288 -11.547   0.612
  401   HD13  LEU  44          HD13      LEU  44 -22.494 -11.531   1.924
  402   HD21  LEU  44          HD21      LEU  44 -24.722 -10.464   1.567
  403   HD22  LEU  44          HD22      LEU  44 -25.231 -10.080  -0.099
  404   HD23  LEU  44          HD23      LEU  44 -24.899 -11.746   0.348
  405    HA   PRO  45           HA       PRO  45 -23.997  -4.499   2.402
  406    HB2  PRO  45           HB2      PRO  45 -22.650  -5.924   4.717
  407    HB3  PRO  45           HB3      PRO  45 -23.896  -4.632   4.779
  408    HG2  PRO  45           HG2      PRO  45 -24.668  -7.211   4.957
  409    HG3  PRO  45           HG3      PRO  45 -25.569  -6.100   3.880
  410    HD2  PRO  45           HD2      PRO  45 -23.545  -8.203   3.139
  411    HD3  PRO  45           HD3      PRO  45 -25.025  -7.680   2.280
  412    H    VAL  46           H        VAL  46 -22.869  -2.698   2.415
  413    HA   VAL  46           HA       VAL  46 -20.051  -2.769   1.759
  414    HB   VAL  46           HB       VAL  46 -21.490  -0.160   1.849
  415   HG11  VAL  46          HG11      VAL  46 -19.531  -1.395  -0.150
  416   HG12  VAL  46          HG12      VAL  46 -20.107   0.284  -0.119
  417   HG13  VAL  46          HG13      VAL  46 -19.067  -0.311   1.177
  418   HG21  VAL  46          HG21      VAL  46 -22.299  -0.567  -0.479
  419   HG22  VAL  46          HG22      VAL  46 -21.916  -2.293  -0.280
  420   HG23  VAL  46          HG23      VAL  46 -23.159  -1.515   0.731
  421    H    LEU  47           H        LEU  47 -20.508  -3.510   4.419
  422    HA   LEU  47           HA       LEU  47 -19.759  -1.457   6.280
  423    HB2  LEU  47           HB2      LEU  47 -19.501  -4.489   6.363
  424    HB3  LEU  47           HB3      LEU  47 -19.137  -3.449   7.738
  425    HG   LEU  47           HG       LEU  47 -21.873  -3.539   6.388
  426   HD11  LEU  47          HD11      LEU  47 -22.565  -4.887   8.322
  427   HD12  LEU  47          HD12      LEU  47 -21.317  -5.699   7.371
  428   HD13  LEU  47          HD13      LEU  47 -20.890  -4.911   8.921
  429   HD21  LEU  47          HD21      LEU  47 -22.630  -2.485   8.510
  430   HD22  LEU  47          HD22      LEU  47 -20.945  -2.361   9.051
  431   HD23  LEU  47          HD23      LEU  47 -21.506  -1.442   7.638
  432    H    ASP  48           H        ASP  48 -17.830  -1.310   7.496
  433    HA   ASP  48           HA       ASP  48 -15.674  -0.733   5.708
  434    HB2  ASP  48           HB2      ASP  48 -14.777   0.519   7.714
  435    HB3  ASP  48           HB3      ASP  48 -16.294   1.011   6.996
  436    H    LYS  49           H        LYS  49 -15.767  -3.532   6.080
  437    HA   LYS  49           HA       LYS  49 -13.290  -4.234   7.638
  438    HB2  LYS  49           HB2      LYS  49 -15.581  -5.789   6.394
  439    HB3  LYS  49           HB3      LYS  49 -14.084  -6.598   6.796
  440    HG2  LYS  49           HG2      LYS  49 -15.889  -6.837   8.474
  441    HG3  LYS  49           HG3      LYS  49 -14.361  -6.307   9.115
  442    HD2  LYS  49           HD2      LYS  49 -16.545  -4.272   8.526
  443    HD3  LYS  49           HD3      LYS  49 -16.596  -5.266   9.965
  444    HE2  LYS  49           HE2      LYS  49 -14.270  -4.494  10.602
  445    HE3  LYS  49           HE3      LYS  49 -14.294  -3.384   9.244
  446    HZ1  LYS  49           HZ1      LYS  49 -16.183  -2.222  10.224
  447    HZ2  LYS  49           HZ2      LYS  49 -16.286  -3.301  11.468
  448    HZ3  LYS  49           HZ3      LYS  49 -14.983  -2.319  11.323
  449    H    THR  50           H        THR  50 -11.402  -4.035   6.623
  450    HA   THR  50           HA       THR  50 -11.171  -4.858   3.796
  451    HB   THR  50           HB       THR  50 -10.298  -2.979   2.896
  452    HG1  THR  50           HG1      THR  50  -9.761  -1.114   4.251
  453   HG21  THR  50          HG21      THR  50 -11.763  -1.088   3.335
  454   HG22  THR  50          HG22      THR  50 -12.716  -2.574   3.369
  455   HG23  THR  50          HG23      THR  50 -12.258  -1.768   4.894
  456    H    LYS  51           H        LYS  51  -8.632  -3.291   5.663
  457    HA   LYS  51           HA       LYS  51  -6.769  -5.453   4.953
  458    HB2  LYS  51           HB2      LYS  51  -6.309  -2.962   4.926
  459    HB3  LYS  51           HB3      LYS  51  -6.365  -2.984   6.694
  460    HG2  LYS  51           HG2      LYS  51  -4.465  -4.699   6.621
  461    HG3  LYS  51           HG3      LYS  51  -4.389  -4.428   4.867
  462    HD2  LYS  51           HD2      LYS  51  -4.011  -1.964   5.330
  463    HD3  LYS  51           HD3      LYS  51  -4.039  -2.342   7.066
  464    HE2  LYS  51           HE2      LYS  51  -2.189  -4.108   6.406
  465    HE3  LYS  51           HE3      LYS  51  -2.004  -3.107   4.959
  466    HZ1  LYS  51           HZ1      LYS  51  -1.682  -2.262   7.784
  467    HZ2  LYS  51           HZ2      LYS  51  -0.503  -2.359   6.681
  468    HZ3  LYS  51           HZ3      LYS  51  -1.644  -1.164   6.580
  469    H    PHE  52           H        PHE  52  -5.907  -7.048   6.286
  470    HA   PHE  52           HA       PHE  52  -6.624  -7.052   9.139
  471    HB2  PHE  52           HB2      PHE  52  -7.526  -9.103   7.165
  472    HB3  PHE  52           HB3      PHE  52  -7.230  -9.550   8.836
  473    HD1  PHE  52           HD1      PHE  52  -8.423  -8.315  10.722
  474    HD2  PHE  52           HD2      PHE  52  -9.553  -7.953   6.576
  475    HE1  PHE  52           HE1      PHE  52 -10.606  -7.338  11.397
  476    HE2  PHE  52           HE2      PHE  52 -11.735  -6.979   7.264
  477    HZ   PHE  52           HZ       PHE  52 -12.245  -6.659   9.683
  478    H    LEU  53           H        LEU  53  -5.473  -8.192  10.630
  479    HA   LEU  53           HA       LEU  53  -3.131  -9.744   9.665
  480    HB2  LEU  53           HB2      LEU  53  -3.042  -7.864  12.053
  481    HB3  LEU  53           HB3      LEU  53  -1.789  -8.993  11.572
  482    HG   LEU  53           HG       LEU  53  -2.615  -6.492  10.037
  483   HD11  LEU  53          HD11      LEU  53  -0.347  -5.749  10.685
  484   HD12  LEU  53          HD12      LEU  53  -1.314  -6.103  12.124
  485   HD13  LEU  53          HD13      LEU  53  -0.079  -7.258  11.573
  486   HD21  LEU  53          HD21      LEU  53  -0.586  -6.931   8.659
  487   HD22  LEU  53          HD22      LEU  53  -0.478  -8.561   9.391
  488   HD23  LEU  53          HD23      LEU  53  -1.874  -8.080   8.387
  489    H    VAL  54           H        VAL  54  -3.089 -11.716  10.593
  490    HA   VAL  54           HA       VAL  54  -5.086 -12.271  12.753
  491    HB   VAL  54           HB       VAL  54  -4.505 -14.113  10.439
  492   HG11  VAL  54          HG11      VAL  54  -5.497 -15.126  12.508
  493   HG12  VAL  54          HG12      VAL  54  -6.857 -13.988  12.388
  494   HG13  VAL  54          HG13      VAL  54  -6.591 -15.198  11.121
  495   HG21  VAL  54          HG21      VAL  54  -6.685 -13.391   9.497
  496   HG22  VAL  54          HG22      VAL  54  -6.771 -12.098  10.712
  497   HG23  VAL  54          HG23      VAL  54  -5.491 -12.096   9.475
  498    HA   PRO  55           HA       PRO  55  -1.556 -14.264  14.750
  499    HB2  PRO  55           HB2      PRO  55  -3.708 -15.678  16.321
  500    HB3  PRO  55           HB3      PRO  55  -2.222 -14.883  16.911
  501    HG2  PRO  55           HG2      PRO  55  -4.616 -13.642  17.156
  502    HG3  PRO  55           HG3      PRO  55  -3.185 -12.708  16.618
  503    HD2  PRO  55           HD2      PRO  55  -5.397 -13.902  14.920
  504    HD3  PRO  55           HD3      PRO  55  -4.673 -12.262  14.855
  505    H    ASP  56           H        ASP  56  -0.455 -16.132  14.223
  506    HA   ASP  56           HA       ASP  56  -1.340 -17.949  12.311
  507    HB2  ASP  56           HB2      ASP  56   0.639 -19.310  12.944
  508    HB3  ASP  56           HB3      ASP  56   0.967 -17.601  12.688
  509    H    HIS  57           H        HIS  57  -1.981 -18.136  15.680
  510    HA   HIS  57           HA       HIS  57  -2.649 -20.898  16.046
  511    HB2  HIS  57           HB2      HIS  57  -3.724 -18.327  17.322
  512    HB3  HIS  57           HB3      HIS  57  -4.108 -19.941  17.878
  513    HD1  HIS  57           HD1      HIS  57  -0.409 -18.771  17.156
  514    HD2  HIS  57           HD2      HIS  57  -3.198 -19.575  20.243
  515    HE1  HIS  57           HE1      HIS  57   0.844 -18.507  19.375
  516    HE2  HIS  57           HE2      HIS  57  -0.880 -18.935  21.253
  517    H    VAL  58           H        VAL  58  -4.412 -18.327  14.397
  518    HA   VAL  58           HA       VAL  58  -7.067 -19.348  14.904
  519    HB   VAL  58           HB       VAL  58  -6.017 -17.268  12.977
  520   HG11  VAL  58          HG11      VAL  58  -8.370 -16.405  12.900
  521   HG12  VAL  58          HG12      VAL  58  -8.141 -17.947  12.082
  522   HG13  VAL  58          HG13      VAL  58  -8.899 -17.901  13.693
  523   HG21  VAL  58          HG21      VAL  58  -7.431 -17.038  15.674
  524   HG22  VAL  58          HG22      VAL  58  -5.724 -16.658  15.361
  525   HG23  VAL  58          HG23      VAL  58  -6.993 -15.669  14.633
  526    H    ASN  59           H        ASN  59  -8.295 -20.735  13.789
  527    HA   ASN  59           HA       ASN  59  -7.289 -22.094  11.379
  528    HB2  ASN  59           HB2      ASN  59  -9.802 -22.302  13.071
  529    HB3  ASN  59           HB3      ASN  59  -9.664 -23.148  11.541
  530   HD21  ASN  59          HD21      ASN  59  -8.619 -25.547  14.106
  531   HD22  ASN  59          HD22      ASN  59 -10.097 -24.708  13.658
  532    H    MET  60           H        MET  60  -8.201 -22.048   9.260
  533    HA   MET  60           HA       MET  60  -9.059 -19.521   8.285
  534    HB2  MET  60           HB2      MET  60  -7.966 -21.229   6.945
  535    HB3  MET  60           HB3      MET  60  -9.322 -22.325   7.151
  536    HG2  MET  60           HG2      MET  60  -9.447 -21.478   4.975
  537    HG3  MET  60           HG3      MET  60 -10.755 -20.697   5.839
  538    HE1  MET  60           HE1      MET  60 -10.426 -18.024   6.766
  539    HE2  MET  60           HE2      MET  60 -10.116 -17.023   5.339
  540    HE3  MET  60           HE3      MET  60 -11.282 -18.357   5.243
  541    H    SER  61           H        SER  61 -11.077 -22.388   9.116
  542    HA   SER  61           HA       SER  61 -13.635 -21.260   8.663
  543    HB2  SER  61           HB2      SER  61 -14.371 -23.011  10.285
  544    HB3  SER  61           HB3      SER  61 -13.315 -23.622   8.999
  545    HG   SER  61           HG       SER  61 -12.775 -24.319  11.220
  546    H    GLU  62           H        GLU  62 -11.508 -21.018  11.498
  547    HA   GLU  62           HA       GLU  62 -13.392 -19.663  13.223
  548    HB2  GLU  62           HB2      GLU  62 -11.509 -20.963  14.035
  549    HB3  GLU  62           HB3      GLU  62 -10.374 -19.861  13.249
  550    HG2  GLU  62           HG2      GLU  62 -11.184 -18.022  14.744
  551    HG3  GLU  62           HG3      GLU  62 -12.198 -19.214  15.577
  552    H    LEU  63           H        LEU  63 -10.739 -18.433  11.103
  553    HA   LEU  63           HA       LEU  63 -11.229 -15.637  11.509
  554    HB2  LEU  63           HB2      LEU  63  -9.205 -16.422  10.404
  555    HB3  LEU  63           HB3      LEU  63 -10.142 -17.208   9.140
  556    HG   LEU  63           HG       LEU  63 -10.923 -14.964   8.327
  557   HD11  LEU  63          HD11      LEU  63  -8.932 -13.925  10.399
  558   HD12  LEU  63          HD12      LEU  63  -9.669 -12.952   9.101
  559   HD13  LEU  63          HD13      LEU  63 -10.684 -13.635  10.382
  560   HD21  LEU  63          HD21      LEU  63  -8.835 -14.340   7.265
  561   HD22  LEU  63          HD22      LEU  63  -7.902 -15.231   8.509
  562   HD23  LEU  63          HD23      LEU  63  -8.949 -16.102   7.366
  563    H    ILE  64           H        ILE  64 -12.636 -17.925   9.130
  564    HA   ILE  64           HA       ILE  64 -14.495 -16.147   7.906
  565    HB   ILE  64           HB       ILE  64 -14.290 -19.106   8.325
  566   HG12  ILE  64          HG12      ILE  64 -14.871 -17.677   5.734
  567   HG13  ILE  64          HG13      ILE  64 -13.262 -17.553   6.449
  568   HG21  ILE  64          HG21      ILE  64 -16.853 -17.826   7.286
  569   HG22  ILE  64          HG22      ILE  64 -16.408 -19.527   7.060
  570   HG23  ILE  64          HG23      ILE  64 -16.680 -18.916   8.683
  571   HD11  ILE  64          HD11      ILE  64 -12.884 -19.909   6.347
  572   HD12  ILE  64          HD12      ILE  64 -14.564 -20.244   5.944
  573   HD13  ILE  64          HD13      ILE  64 -13.518 -19.411   4.769
  574    H    LYS  65           H        LYS  65 -14.938 -18.068  10.922
  575    HA   LYS  65           HA       LYS  65 -17.603 -17.230  11.386
  576    HB2  LYS  65           HB2      LYS  65 -16.412 -19.159  12.448
  577    HB3  LYS  65           HB3      LYS  65 -15.527 -18.027  13.479
  578    HG2  LYS  65           HG2      LYS  65 -17.667 -17.224  14.447
  579    HG3  LYS  65           HG3      LYS  65 -18.556 -18.312  13.359
  580    HD2  LYS  65           HD2      LYS  65 -17.470 -20.272  14.412
  581    HD3  LYS  65           HD3      LYS  65 -16.564 -19.195  15.501
  582    HE2  LYS  65           HE2      LYS  65 -18.703 -18.341  16.435
  583    HE3  LYS  65           HE3      LYS  65 -19.609 -19.397  15.346
  584    HZ1  LYS  65           HZ1      LYS  65 -17.743 -20.344  17.475
  585    HZ2  LYS  65           HZ2      LYS  65 -19.372 -20.402  17.551
  586    HZ3  LYS  65           HZ3      LYS  65 -18.584 -21.321  16.461
  587    H    ILE  66           H        ILE  66 -14.600 -15.727  12.751
  588    HA   ILE  66           HA       ILE  66 -16.103 -13.600  14.023
  589    HB   ILE  66           HB       ILE  66 -13.985 -14.060  14.893
  590   HG12  ILE  66          HG12      ILE  66 -14.817 -11.631  14.840
  591   HG13  ILE  66          HG13      ILE  66 -13.180 -11.973  15.343
  592   HG21  ILE  66          HG21      ILE  66 -12.703 -14.904  13.057
  593   HG22  ILE  66          HG22      ILE  66 -12.696 -13.336  12.232
  594   HG23  ILE  66          HG23      ILE  66 -11.830 -13.564  13.772
  595   HD11  ILE  66          HD11      ILE  66 -13.244  -9.951  14.009
  596   HD12  ILE  66          HD12      ILE  66 -12.273 -11.174  13.208
  597   HD13  ILE  66          HD13      ILE  66 -13.910 -10.823  12.618
  598    H    ILE  67           H        ILE  67 -14.581 -13.758  10.770
  599    HA   ILE  67           HA       ILE  67 -15.229 -11.029  10.095
  600    HB   ILE  67           HB       ILE  67 -14.583 -13.494   8.459
  601   HG12  ILE  67          HG12      ILE  67 -12.755 -12.533   9.831
  602   HG13  ILE  67          HG13      ILE  67 -12.432 -12.488   8.114
  603   HG21  ILE  67          HG21      ILE  67 -15.053 -10.690   7.375
  604   HG22  ILE  67          HG22      ILE  67 -14.226 -12.008   6.511
  605   HG23  ILE  67          HG23      ILE  67 -15.920 -12.186   6.943
  606   HD11  ILE  67          HD11      ILE  67 -13.262 -10.086   9.818
  607   HD12  ILE  67          HD12      ILE  67 -11.635 -10.470   9.258
  608   HD13  ILE  67          HD13      ILE  67 -12.885 -10.046   8.079
  609    H    ARG  68           H        ARG  68 -17.077 -14.055   9.429
  610    HA   ARG  68           HA       ARG  68 -19.282 -12.832   8.100
  611    HB2  ARG  68           HB2      ARG  68 -18.702 -15.313   8.297
  612    HB3  ARG  68           HB3      ARG  68 -19.336 -15.273   9.939
  613    HG2  ARG  68           HG2      ARG  68 -21.532 -14.395   8.835
  614    HG3  ARG  68           HG3      ARG  68 -20.805 -14.893   7.304
  615    HD2  ARG  68           HD2      ARG  68 -20.454 -17.138   8.921
  616    HD3  ARG  68           HD3      ARG  68 -21.980 -16.505   9.526
  617    HE   ARG  68           HE       ARG  68 -21.466 -17.858   7.022
  618   HH11  ARG  68          HH11      ARG  68 -23.696 -15.458   8.345
  619   HH12  ARG  68          HH12      ARG  68 -24.963 -15.938   7.246
  620   HH21  ARG  68          HH21      ARG  68 -23.189 -18.393   5.675
  621   HH22  ARG  68          HH22      ARG  68 -24.626 -17.383   5.721
  622    H    ARG  69           H        ARG  69 -18.796 -13.435  11.591
  623    HA   ARG  69           HA       ARG  69 -21.240 -12.210  12.510
  624    HB2  ARG  69           HB2      ARG  69 -19.894 -13.780  13.831
  625    HB3  ARG  69           HB3      ARG  69 -18.561 -12.621  13.922
  626    HG2  ARG  69           HG2      ARG  69 -19.959 -11.059  15.218
  627    HG3  ARG  69           HG3      ARG  69 -21.350 -12.151  15.059
  628    HD2  ARG  69           HD2      ARG  69 -20.113 -13.900  16.299
  629    HD3  ARG  69           HD3      ARG  69 -18.717 -12.805  16.452
  630    HE   ARG  69           HE       ARG  69 -21.035 -11.489  17.475
  631   HH11  ARG  69          HH11      ARG  69 -18.948 -14.148  18.418
  632   HH12  ARG  69          HH12      ARG  69 -19.300 -13.937  20.112
  633   HH21  ARG  69          HH21      ARG  69 -21.433 -11.274  19.645
  634   HH22  ARG  69          HH22      ARG  69 -20.672 -12.348  20.782
  635    H    ARG  70           H        ARG  70 -17.946 -10.781  12.182
  636    HA   ARG  70           HA       ARG  70 -18.735  -8.165  13.078
  637    HB2  ARG  70           HB2      ARG  70 -16.389  -9.249  12.907
  638    HB3  ARG  70           HB3      ARG  70 -16.384  -8.711  11.218
  639    HG2  ARG  70           HG2      ARG  70 -16.690  -6.358  12.003
  640    HG3  ARG  70           HG3      ARG  70 -16.809  -6.933  13.669
  641    HD2  ARG  70           HD2      ARG  70 -14.466  -7.870  13.460
  642    HD3  ARG  70           HD3      ARG  70 -14.357  -7.121  11.868
  643    HE   ARG  70           HE       ARG  70 -14.107  -4.995  12.875
  644   HH11  ARG  70          HH11      ARG  70 -14.906  -7.248  15.530
  645   HH12  ARG  70          HH12      ARG  70 -14.378  -6.012  16.672
  646   HH21  ARG  70          HH21      ARG  70 -13.713  -3.628  14.409
  647   HH22  ARG  70          HH22      ARG  70 -13.795  -4.132  16.127
  648    H    LEU  71           H        LEU  71 -18.830  -9.615   9.873
  649    HA   LEU  71           HA       LEU  71 -19.809  -7.214   8.511
  650    HB2  LEU  71           HB2      LEU  71 -19.741 -10.168   7.781
  651    HB3  LEU  71           HB3      LEU  71 -20.356  -8.930   6.700
  652    HG   LEU  71           HG       LEU  71 -17.494  -8.919   7.726
  653   HD11  LEU  71          HD11      LEU  71 -18.647  -9.931   5.091
  654   HD12  LEU  71          HD12      LEU  71 -16.922  -9.801   5.490
  655   HD13  LEU  71          HD13      LEU  71 -17.951 -10.943   6.373
  656   HD21  LEU  71          HD21      LEU  71 -18.927  -7.422   5.487
  657   HD22  LEU  71          HD22      LEU  71 -18.222  -6.711   6.963
  658   HD23  LEU  71          HD23      LEU  71 -17.170  -7.441   5.737
  659    H    GLN  72           H        GLN  72 -21.327  -8.936  10.898
  660    HA   GLN  72           HA       GLN  72 -23.415  -9.217  11.626
  661    HB2  GLN  72           HB2      GLN  72 -24.176  -6.986   9.712
  662    HB3  GLN  72           HB3      GLN  72 -25.093  -7.540  11.112
  663    HG2  GLN  72           HG2      GLN  72 -23.212  -6.897  12.614
  664    HG3  GLN  72           HG3      GLN  72 -22.328  -6.257  11.223
  665   HE21  GLN  72          HE21      GLN  72 -23.933  -3.327  12.759
  666   HE22  GLN  72          HE22      GLN  72 -22.635  -4.452  13.140
  667    H    LEU  73           H        LEU  73 -22.615 -10.927   9.350
  668    HA   LEU  73           HA       LEU  73 -25.154 -11.387   7.886
  669    HB2  LEU  73           HB2      LEU  73 -22.493 -12.795   7.563
  670    HB3  LEU  73           HB3      LEU  73 -23.864 -12.854   6.463
  671    HG   LEU  73           HG       LEU  73 -22.152 -10.414   7.094
  672   HD11  LEU  73          HD11      LEU  73 -21.225 -10.651   4.900
  673   HD12  LEU  73          HD12      LEU  73 -20.993 -12.165   5.789
  674   HD13  LEU  73          HD13      LEU  73 -22.273 -12.045   4.552
  675   HD21  LEU  73          HD21      LEU  73 -24.448  -9.728   6.429
  676   HD22  LEU  73          HD22      LEU  73 -23.245  -9.326   5.202
  677   HD23  LEU  73          HD23      LEU  73 -24.305 -10.731   4.960
  678    H    ASN  74           H        ASN  74 -26.557 -12.221   9.338
  679    HA   ASN  74           HA       ASN  74 -25.995 -14.302  11.248
  680    HB2  ASN  74           HB2      ASN  74 -28.610 -13.275  10.049
  681    HB3  ASN  74           HB3      ASN  74 -28.523 -14.382  11.413
  682   HD21  ASN  74          HD21      ASN  74 -28.823 -10.789  12.585
  683   HD22  ASN  74          HD22      ASN  74 -29.674 -11.652  11.317
  684    H    ALA  75           H        ALA  75 -27.168 -16.445  11.295
  685    HA   ALA  75           HA       ALA  75 -26.044 -18.136   9.417
  686    HB1  ALA  75           HB1      ALA  75 -27.495 -19.869  10.438
  687    HB2  ALA  75           HB2      ALA  75 -26.823 -18.777  11.668
  688    HB3  ALA  75           HB3      ALA  75 -28.519 -18.599  11.144
  689    H    ASN  76           H        ASN  76 -29.331 -16.778   9.259
  690    HA   ASN  76           HA       ASN  76 -30.268 -18.359   7.038
  691    HB2  ASN  76           HB2      ASN  76 -31.714 -17.245   8.709
  692    HB3  ASN  76           HB3      ASN  76 -31.139 -15.663   8.172
  693   HD21  ASN  76          HD21      ASN  76 -33.672 -15.484   5.748
  694   HD22  ASN  76          HD22      ASN  76 -32.561 -14.652   6.826
  695    H    GLN  77           H        GLN  77 -28.250 -15.468   7.172
  696    HA   GLN  77           HA       GLN  77 -28.742 -14.671   4.390
  697    HB2  GLN  77           HB2      GLN  77 -28.364 -12.946   6.031
  698    HB3  GLN  77           HB3      GLN  77 -26.860 -13.687   6.567
  699    HG2  GLN  77           HG2      GLN  77 -26.453 -11.704   5.215
  700    HG3  GLN  77           HG3      GLN  77 -25.736 -13.139   4.496
  701   HE21  GLN  77          HE21      GLN  77 -27.336 -12.399   1.423
  702   HE22  GLN  77          HE22      GLN  77 -25.938 -13.073   2.257
  703    H    ALA  78           H        ALA  78 -27.625 -15.357   2.633
  704    HA   ALA  78           HA       ALA  78 -25.582 -17.382   2.791
  705    HB1  ALA  78           HB1      ALA  78 -27.184 -17.227   0.932
  706    HB2  ALA  78           HB2      ALA  78 -26.501 -15.650   0.455
  707    HB3  ALA  78           HB3      ALA  78 -25.516 -17.122   0.340
  708    H    PHE  79           H        PHE  79 -23.377 -17.272   2.406
  709    HA   PHE  79           HA       PHE  79 -22.040 -14.767   1.838
  710    HB2  PHE  79           HB2      PHE  79 -22.273 -14.267   4.081
  711    HB3  PHE  79           HB3      PHE  79 -21.998 -15.910   4.592
  712    HD1  PHE  79           HD1      PHE  79 -20.239 -12.918   3.225
  713    HD2  PHE  79           HD2      PHE  79 -19.845 -16.726   5.207
  714    HE1  PHE  79           HE1      PHE  79 -17.902 -12.346   3.868
  715    HE2  PHE  79           HE2      PHE  79 -17.505 -16.161   5.813
  716    HZ   PHE  79           HZ       PHE  79 -16.542 -13.961   5.166
  717    H    PHE  80           H        PHE  80 -20.214 -14.923   0.761
  718    HA   PHE  80           HA       PHE  80 -18.713 -17.473   0.861
  719    HB2  PHE  80           HB2      PHE  80 -19.471 -15.882  -1.553
  720    HB3  PHE  80           HB3      PHE  80 -18.039 -16.874  -1.525
  721    HD1  PHE  80           HD1      PHE  80 -18.136 -19.244  -1.842
  722    HD2  PHE  80           HD2      PHE  80 -21.736 -17.010  -1.043
  723    HE1  PHE  80           HE1      PHE  80 -19.503 -21.220  -2.463
  724    HE2  PHE  80           HE2      PHE  80 -23.103 -18.991  -1.662
  725    HZ   PHE  80           HZ       PHE  80 -21.986 -21.097  -2.371
  726    H    LEU  81           H        LEU  81 -16.767 -17.475   1.529
  727    HA   LEU  81           HA       LEU  81 -15.080 -15.023   1.300
  728    HB2  LEU  81           HB2      LEU  81 -15.623 -15.851   3.602
  729    HB3  LEU  81           HB3      LEU  81 -14.859 -17.380   3.225
  730    HG   LEU  81           HG       LEU  81 -13.475 -15.949   4.620
  731   HD11  LEU  81          HD11      LEU  81 -12.391 -17.500   2.948
  732   HD12  LEU  81          HD12      LEU  81 -12.082 -16.066   1.930
  733   HD13  LEU  81          HD13      LEU  81 -11.391 -16.168   3.550
  734   HD21  LEU  81          HD21      LEU  81 -13.329 -13.960   2.331
  735   HD22  LEU  81          HD22      LEU  81 -14.243 -13.753   3.841
  736   HD23  LEU  81          HD23      LEU  81 -12.477 -13.876   3.889
  737    H    LEU  82           H        LEU  82 -13.801 -15.159  -0.409
  738    HA   LEU  82           HA       LEU  82 -13.033 -17.827  -1.477
  739    HB2  LEU  82           HB2      LEU  82 -13.240 -15.212  -2.966
  740    HB3  LEU  82           HB3      LEU  82 -13.139 -16.825  -3.638
  741    HG   LEU  82           HG       LEU  82 -15.535 -15.655  -2.139
  742   HD11  LEU  82          HD11      LEU  82 -15.102 -16.281  -5.091
  743   HD12  LEU  82          HD12      LEU  82 -16.591 -15.661  -4.345
  744   HD13  LEU  82          HD13      LEU  82 -15.145 -14.658  -4.360
  745   HD21  LEU  82          HD21      LEU  82 -15.519 -18.045  -1.798
  746   HD22  LEU  82          HD22      LEU  82 -16.684 -17.702  -3.068
  747   HD23  LEU  82          HD23      LEU  82 -15.097 -18.347  -3.514
  748    H    VAL  83           H        VAL  83 -10.906 -18.280  -0.817
  749    HA   VAL  83           HA       VAL  83  -8.877 -16.139  -0.634
  750    HB   VAL  83           HB       VAL  83  -8.672 -19.159  -0.426
  751   HG11  VAL  83          HG11      VAL  83  -6.330 -18.739   0.350
  752   HG12  VAL  83          HG12      VAL  83  -6.554 -18.396  -1.365
  753   HG13  VAL  83          HG13      VAL  83  -6.480 -17.052  -0.203
  754   HG21  VAL  83          HG21      VAL  83  -8.109 -18.626   1.938
  755   HG22  VAL  83          HG22      VAL  83  -8.272 -16.898   1.582
  756   HG23  VAL  83          HG23      VAL  83  -9.697 -17.951   1.524
  757    H    ASN  84           H        ASN  84  -7.903 -15.308  -2.358
  758    HA   ASN  84           HA       ASN  84  -7.585 -14.827  -4.568
  759    HB2  ASN  84           HB2      ASN  84  -6.333 -17.590  -4.397
  760    HB3  ASN  84           HB3      ASN  84  -6.028 -16.437  -5.694
  761   HD21  ASN  84          HD21      ASN  84  -3.464 -16.161  -2.885
  762   HD22  ASN  84          HD22      ASN  84  -4.135 -17.581  -3.682
  763    H    GLY  85           H        GLY  85 -10.246 -15.692  -4.174
  764    HA2  GLY  85           HA2      GLY  85 -12.040 -15.821  -5.679
  765    HA3  GLY  85           HA3      GLY  85 -10.974 -16.418  -6.935
  766    H    HIS  86           H        HIS  86 -10.158 -18.558  -4.615
  767    HA   HIS  86           HA       HIS  86 -12.274 -20.526  -5.369
  768    HB2  HIS  86           HB2      HIS  86  -9.946 -21.230  -5.638
  769    HB3  HIS  86           HB3      HIS  86  -9.594 -20.825  -3.957
  770    HD1  HIS  86           HD1      HIS  86  -9.600 -22.954  -2.457
  771    HD2  HIS  86           HD2      HIS  86 -12.332 -23.083  -5.683
  772    HE1  HIS  86           HE1      HIS  86 -10.845 -25.202  -2.269
  773    HE2  HIS  86           HE2      HIS  86 -12.495 -25.278  -4.249
  774    H    SER  87           H        SER  87 -13.829 -21.268  -3.951
  775    HA   SER  87           HA       SER  87 -14.314 -19.802  -1.543
  776    HB2  SER  87           HB2      SER  87 -16.126 -20.848  -2.801
  777    HB3  SER  87           HB3      SER  87 -15.493 -22.460  -2.388
  778    HG   SER  87           HG       SER  87 -17.113 -21.856  -0.895
  779    H    MET  88           H        MET  88 -13.754 -19.973   0.464
  780    HA   MET  88           HA       MET  88 -12.216 -22.374   1.377
  781    HB2  MET  88           HB2      MET  88 -11.546 -19.586   1.326
  782    HB3  MET  88           HB3      MET  88 -11.772 -20.012   3.015
  783    HG2  MET  88           HG2      MET  88  -9.478 -20.365   2.434
  784    HG3  MET  88           HG3      MET  88 -10.212 -21.927   2.728
  785    HE1  MET  88           HE1      MET  88  -7.370 -21.258   1.207
  786    HE2  MET  88           HE2      MET  88  -7.933 -22.893   1.627
  787    HE3  MET  88           HE3      MET  88  -7.413 -22.532  -0.032
  788    H    VAL  89           H        VAL  89 -15.279 -21.425   1.647
  789    HA   VAL  89           HA       VAL  89 -15.780 -20.862   4.349
  790    HB   VAL  89           HB       VAL  89 -17.649 -22.239   2.407
  791   HG11  VAL  89          HG11      VAL  89 -18.231 -20.591   4.913
  792   HG12  VAL  89          HG12      VAL  89 -19.439 -21.136   3.732
  793   HG13  VAL  89          HG13      VAL  89 -18.570 -22.327   4.691
  794   HG21  VAL  89          HG21      VAL  89 -17.187 -19.274   3.003
  795   HG22  VAL  89          HG22      VAL  89 -16.782 -20.104   1.478
  796   HG23  VAL  89          HG23      VAL  89 -18.468 -19.932   1.957
  797    H    SER  90           H        SER  90 -15.421 -24.083   2.887
  798    HA   SER  90           HA       SER  90 -16.140 -25.486   5.371
  799    HB2  SER  90           HB2      SER  90 -15.762 -27.499   3.976
  800    HB3  SER  90           HB3      SER  90 -16.898 -26.354   3.241
  801    HG   SER  90           HG       SER  90 -15.311 -27.127   1.732
  802    H    VAL  91           H        VAL  91 -13.256 -24.011   4.444
  803    HA   VAL  91           HA       VAL  91 -11.439 -26.260   4.940
  804    HB   VAL  91           HB       VAL  91 -10.891 -23.338   4.349
  805   HG11  VAL  91          HG11      VAL  91  -8.930 -24.285   5.460
  806   HG12  VAL  91          HG12      VAL  91  -8.990 -25.712   4.395
  807   HG13  VAL  91          HG13      VAL  91  -8.609 -24.108   3.737
  808   HG21  VAL  91          HG21      VAL  91 -12.007 -24.526   2.476
  809   HG22  VAL  91          HG22      VAL  91 -10.312 -24.204   2.086
  810   HG23  VAL  91          HG23      VAL  91 -10.811 -25.829   2.588
  811    H    SER  92           H        SER  92 -10.717 -26.896   6.847
  812    HA   SER  92           HA       SER  92 -11.013 -25.274   9.272
  813    HB2  SER  92           HB2      SER  92 -11.546 -27.674   9.185
  814    HB3  SER  92           HB3      SER  92  -9.860 -28.052   8.801
  815    HG   SER  92           HG       SER  92 -10.384 -28.292  11.052
  816    H    THR  93           H        THR  93  -8.353 -26.034   7.097
  817    HA   THR  93           HA       THR  93  -6.158 -26.150   8.516
  818    HB   THR  93           HB       THR  93  -6.091 -24.427   6.073
  819    HG1  THR  93           HG1      THR  93  -6.267 -26.391   4.900
  820   HG21  THR  93          HG21      THR  93  -4.137 -25.836   5.515
  821   HG22  THR  93          HG22      THR  93  -3.916 -24.986   7.044
  822   HG23  THR  93          HG23      THR  93  -4.326 -26.719   7.043
  823    HA   PRO  94           HA       PRO  94  -5.194 -22.480  10.862
  824    HB2  PRO  94           HB2      PRO  94  -2.339 -23.287  10.288
  825    HB3  PRO  94           HB3      PRO  94  -3.059 -22.723  11.826
  826    HG2  PRO  94           HG2      PRO  94  -2.666 -25.363  11.440
  827    HG3  PRO  94           HG3      PRO  94  -4.234 -24.804  12.118
  828    HD2  PRO  94           HD2      PRO  94  -3.584 -25.574   9.263
  829    HD3  PRO  94           HD3      PRO  94  -4.994 -26.028  10.269
  830    H    ILE  95           H        ILE  95  -4.791 -20.333  10.472
  831    HA   ILE  95           HA       ILE  95  -4.845 -19.504   7.800
  832    HB   ILE  95           HB       ILE  95  -5.807 -18.290   9.739
  833   HG12  ILE  95          HG12      ILE  95  -5.354 -15.991   9.043
  834   HG13  ILE  95          HG13      ILE  95  -3.927 -16.487   8.138
  835   HG21  ILE  95          HG21      ILE  95  -3.824 -18.448  11.301
  836   HG22  ILE  95          HG22      ILE  95  -2.976 -17.252  10.293
  837   HG23  ILE  95          HG23      ILE  95  -4.455 -16.815  11.143
  838   HD11  ILE  95          HD11      ILE  95  -6.754 -17.476   7.538
  839   HD12  ILE  95          HD12      ILE  95  -5.978 -16.084   6.751
  840   HD13  ILE  95          HD13      ILE  95  -5.299 -17.705   6.532
  841    H    SER  96           H        SER  96  -1.992 -19.878   9.841
  842    HA   SER  96           HA       SER  96  -0.099 -18.449   8.214
  843    HB2  SER  96           HB2      SER  96   1.545 -19.930   9.428
  844    HB3  SER  96           HB3      SER  96   0.448 -19.014  10.479
  845    HG   SER  96           HG       SER  96   0.656 -21.307  11.028
  846    H    GLU  97           H        GLU  97  -1.134 -21.895   8.237
  847    HA   GLU  97           HA       GLU  97   0.591 -22.694   6.062
  848    HB2  GLU  97           HB2      GLU  97  -1.992 -23.893   7.125
  849    HB3  GLU  97           HB3      GLU  97  -0.934 -24.695   5.973
  850    HG2  GLU  97           HG2      GLU  97  -0.181 -23.889   8.824
  851    HG3  GLU  97           HG3      GLU  97  -0.680 -25.494   8.313
  852    H    VAL  98           H        VAL  98  -2.806 -21.549   6.150
  853    HA   VAL  98           HA       VAL  98  -3.235 -21.720   3.300
  854    HB   VAL  98           HB       VAL  98  -4.493 -19.734   5.225
  855   HG11  VAL  98          HG11      VAL  98  -5.400 -20.764   2.501
  856   HG12  VAL  98          HG12      VAL  98  -6.335 -19.684   3.570
  857   HG13  VAL  98          HG13      VAL  98  -4.826 -19.122   2.845
  858   HG21  VAL  98          HG21      VAL  98  -4.949 -22.035   5.995
  859   HG22  VAL  98          HG22      VAL  98  -6.399 -21.334   5.271
  860   HG23  VAL  98          HG23      VAL  98  -5.429 -22.503   4.348
  861    H    TYR  99           H        TYR  99  -1.917 -19.047   5.324
  862    HA   TYR  99           HA       TYR  99  -1.310 -17.320   3.168
  863    HB2  TYR  99           HB2      TYR  99  -1.302 -16.253   5.139
  864    HB3  TYR  99           HB3      TYR  99  -0.467 -17.539   5.978
  865    HD1  TYR  99           HD1      TYR  99   0.059 -14.554   3.827
  866    HD2  TYR  99           HD2      TYR  99   1.891 -17.695   6.153
  867    HE1  TYR  99           HE1      TYR  99   2.206 -13.297   3.851
  868    HE2  TYR  99           HE2      TYR  99   4.021 -16.425   6.189
  869    HH   TYR  99           HH       TYR  99   4.417 -13.255   4.570
  870    H    GLU 100           H        GLU 100   0.953 -19.748   4.558
  871    HA   GLU 100           HA       GLU 100   3.030 -19.224   2.687
  872    HB2  GLU 100           HB2      GLU 100   2.224 -21.749   4.168
  873    HB3  GLU 100           HB3      GLU 100   3.677 -21.656   3.188
  874    HG2  GLU 100           HG2      GLU 100   3.086 -19.838   5.563
  875    HG3  GLU 100           HG3      GLU 100   4.032 -21.315   5.643
  876    H    SER 101           H        SER 101   0.050 -21.042   2.204
  877    HA   SER 101           HA       SER 101   0.905 -22.185  -0.370
  878    HB2  SER 101           HB2      SER 101  -0.536 -23.393   1.222
  879    HB3  SER 101           HB3      SER 101  -1.788 -22.151   1.026
  880    HG   SER 101           HG       SER 101  -2.063 -24.055  -0.326
  881    H    GLU 102           H        GLU 102  -1.183 -19.477   0.688
  882    HA   GLU 102           HA       GLU 102  -1.731 -18.771  -2.171
  883    HB2  GLU 102           HB2      GLU 102  -3.522 -18.748   0.265
  884    HB3  GLU 102           HB3      GLU 102  -3.987 -18.024  -1.257
  885    HG2  GLU 102           HG2      GLU 102  -3.290 -20.969  -0.869
  886    HG3  GLU 102           HG3      GLU 102  -4.905 -20.300  -0.878
  887    H    LYS 103           H        LYS 103   0.194 -17.462   0.065
  888    HA   LYS 103           HA       LYS 103  -0.374 -14.694   0.106
  889    HB2  LYS 103           HB2      LYS 103   1.405 -15.643   1.384
  890    HB3  LYS 103           HB3      LYS 103   2.160 -16.360  -0.046
  891    HG2  LYS 103           HG2      LYS 103   2.793 -14.078  -0.826
  892    HG3  LYS 103           HG3      LYS 103   2.004 -13.400   0.602
  893    HD2  LYS 103           HD2      LYS 103   4.380 -13.530   1.066
  894    HD3  LYS 103           HD3      LYS 103   3.543 -14.732   2.047
  895    HE2  LYS 103           HE2      LYS 103   5.584 -15.696   1.246
  896    HE3  LYS 103           HE3      LYS 103   4.233 -16.532   0.497
  897    HZ1  LYS 103           HZ1      LYS 103   4.651 -15.241  -1.555
  898    HZ2  LYS 103           HZ2      LYS 103   5.879 -14.422  -0.830
  899    HZ3  LYS 103           HZ3      LYS 103   6.008 -16.019  -1.104
  900    H    ASP 104           H        ASP 104  -0.495 -13.135  -1.395
  901    HA   ASP 104           HA       ASP 104   0.145 -13.689  -4.225
  902    HB2  ASP 104           HB2      ASP 104  -1.981 -12.600  -3.378
  903    HB3  ASP 104           HB3      ASP 104  -1.010 -11.203  -2.909
  904    H    GLU 105           H        GLU 105   1.206 -11.730  -5.403
  905    HA   GLU 105           HA       GLU 105   3.938 -11.747  -4.741
  906    HB2  GLU 105           HB2      GLU 105   2.402  -9.821  -6.533
  907    HB3  GLU 105           HB3      GLU 105   4.148  -9.998  -6.534
  908    HG2  GLU 105           HG2      GLU 105   2.161 -12.202  -7.245
  909    HG3  GLU 105           HG3      GLU 105   3.034 -11.202  -8.391
  910    H    ASP 106           H        ASP 106   1.565  -9.360  -3.705
  911    HA   ASP 106           HA       ASP 106   3.584  -7.437  -2.785
  912    HB2  ASP 106           HB2      ASP 106   1.658  -6.200  -1.867
  913    HB3  ASP 106           HB3      ASP 106   1.535  -6.545  -3.581
  914    H    GLY 107           H        GLY 107   2.689 -10.386  -1.603
  915    HA2  GLY 107           HA2      GLY 107   3.480 -11.404   0.324
  916    HA3  GLY 107           HA3      GLY 107   3.738  -9.843   1.094
  917    H    PHE 108           H        PHE 108   0.587  -9.691  -0.083
  918    HA   PHE 108           HA       PHE 108  -0.517 -10.547   2.518
  919    HB2  PHE 108           HB2      PHE 108  -1.567  -8.731   0.390
  920    HB3  PHE 108           HB3      PHE 108  -2.648  -9.460   1.549
  921    HD1  PHE 108           HD1      PHE 108  -2.760  -8.758   3.824
  922    HD2  PHE 108           HD2      PHE 108   0.248  -7.147   1.197
  923    HE1  PHE 108           HE1      PHE 108  -2.265  -6.995   5.497
  924    HE2  PHE 108           HE2      PHE 108   0.711  -5.340   2.855
  925    HZ   PHE 108           HZ       PHE 108  -0.510  -5.290   5.011
  926    H    LEU 109           H        LEU 109  -2.159 -11.984   2.942
  927    HA   LEU 109           HA       LEU 109  -2.814 -13.930   0.807
  928    HB2  LEU 109           HB2      LEU 109  -2.323 -14.782   3.027
  929    HB3  LEU 109           HB3      LEU 109  -3.525 -13.713   3.745
  930    HG   LEU 109           HG       LEU 109  -5.347 -14.930   2.588
  931   HD11  LEU 109          HD11      LEU 109  -4.175 -15.792   0.611
  932   HD12  LEU 109          HD12      LEU 109  -3.095 -16.754   1.646
  933   HD13  LEU 109          HD13      LEU 109  -4.825 -17.134   1.557
  934   HD21  LEU 109          HD21      LEU 109  -5.242 -16.952   3.939
  935   HD22  LEU 109          HD22      LEU 109  -3.485 -16.782   4.131
  936   HD23  LEU 109          HD23      LEU 109  -4.573 -15.595   4.864
  937    H    TYR 110           H        TYR 110  -4.221 -13.107  -0.696
  938    HA   TYR 110           HA       TYR 110  -6.322 -11.274   0.083
  939    HB2  TYR 110           HB2      TYR 110  -5.289 -12.202  -2.523
  940    HB3  TYR 110           HB3      TYR 110  -6.959 -11.666  -2.462
  941    HD1  TYR 110           HD1      TYR 110  -7.482  -9.406  -2.631
  942    HD2  TYR 110           HD2      TYR 110  -3.497 -10.554  -1.424
  943    HE1  TYR 110           HE1      TYR 110  -6.759  -7.040  -2.780
  944    HE2  TYR 110           HE2      TYR 110  -2.790  -8.175  -1.549
  945    HH   TYR 110           HH       TYR 110  -4.963  -5.591  -2.728
  946    H    MET 111           H        MET 111  -8.384 -11.389   0.334
  947    HA   MET 111           HA       MET 111  -9.812 -13.965  -0.177
  948    HB2  MET 111           HB2      MET 111 -10.194 -12.162   2.249
  949    HB3  MET 111           HB3      MET 111 -10.962 -13.720   1.912
  950    HG2  MET 111           HG2      MET 111  -8.622 -14.728   1.942
  951    HG3  MET 111           HG3      MET 111  -8.053 -13.193   2.610
  952    HE1  MET 111           HE1      MET 111  -7.823 -16.267   3.697
  953    HE2  MET 111           HE2      MET 111  -6.957 -14.883   4.400
  954    HE3  MET 111           HE3      MET 111  -7.913 -15.952   5.433
  955    H    VAL 112           H        VAL 112 -11.383 -13.618  -1.662
  956    HA   VAL 112           HA       VAL 112 -12.587 -10.932  -1.895
  957    HB   VAL 112           HB       VAL 112 -13.287 -13.188  -3.735
  958   HG11  VAL 112          HG11      VAL 112 -13.775 -11.333  -5.279
  959   HG12  VAL 112          HG12      VAL 112 -14.752 -11.203  -3.812
  960   HG13  VAL 112          HG13      VAL 112 -13.329 -10.156  -4.029
  961   HG21  VAL 112          HG21      VAL 112 -11.590 -12.285  -5.298
  962   HG22  VAL 112          HG22      VAL 112 -10.960 -11.253  -3.996
  963   HG23  VAL 112          HG23      VAL 112 -10.858 -13.028  -3.875
  964    H    TYR 113           H        TYR 113 -14.579 -10.385  -1.367
  965    HA   TYR 113           HA       TYR 113 -16.265 -12.361   0.049
  966    HB2  TYR 113           HB2      TYR 113 -15.614 -11.078   1.710
  967    HB3  TYR 113           HB3      TYR 113 -15.384  -9.659   0.720
  968    HD1  TYR 113           HD1      TYR 113 -18.474 -11.729   1.561
  969    HD2  TYR 113           HD2      TYR 113 -16.475  -7.895   1.634
  970    HE1  TYR 113           HE1      TYR 113 -20.462 -10.673   2.645
  971    HE2  TYR 113           HE2      TYR 113 -18.454  -6.893   2.719
  972    HH   TYR 113           HH       TYR 113 -20.676  -7.181   3.335
  973    H    ALA 114           H        ALA 114 -18.140 -12.996  -0.674
  974    HA   ALA 114           HA       ALA 114 -19.717 -11.230  -2.479
  975    HB1  ALA 114           HB1      ALA 114 -19.511 -12.891  -4.314
  976    HB2  ALA 114           HB2      ALA 114 -17.911 -12.308  -3.843
  977    HB3  ALA 114           HB3      ALA 114 -18.453 -13.895  -3.292
  978    H    SER 115           H        SER 115 -21.689 -12.464  -3.357
  979    HA   SER 115           HA       SER 115 -22.972 -14.091  -1.215
  980    HB2  SER 115           HB2      SER 115 -24.049 -12.078  -2.476
  981    HB3  SER 115           HB3      SER 115 -24.224 -13.215  -3.827
  982    HG   SER 115           HG       SER 115 -26.093 -13.280  -2.526
  983    H    GLN 116           H        GLN 116 -21.029 -14.691  -3.855
  984    HA   GLN 116           HA       GLN 116 -21.947 -17.453  -4.322
  985    HB2  GLN 116           HB2      GLN 116 -22.406 -17.125  -6.590
  986    HB3  GLN 116           HB3      GLN 116 -23.174 -15.732  -5.847
  987    HG2  GLN 116           HG2      GLN 116 -20.529 -15.754  -7.338
  988    HG3  GLN 116           HG3      GLN 116 -22.058 -15.185  -7.957
  989   HE21  GLN 116          HE21      GLN 116 -20.013 -12.245  -6.908
  990   HE22  GLN 116          HE22      GLN 116 -19.602 -13.694  -7.836
  991    H    GLU 117           H        GLU 117 -20.289 -18.729  -5.541
  992    HA   GLU 117           HA       GLU 117 -17.563 -17.812  -4.998
  993    HB2  GLU 117           HB2      GLU 117 -18.146 -20.112  -4.634
  994    HB3  GLU 117           HB3      GLU 117 -18.610 -20.324  -6.332
  995    HG2  GLU 117           HG2      GLU 117 -16.359 -20.090  -7.088
  996    HG3  GLU 117           HG3      GLU 117 -15.812 -19.465  -5.522
  997    H    THR 118           H        THR 118 -19.559 -17.955  -7.916
  998    HA   THR 118           HA       THR 118 -17.317 -17.615  -9.677
  999    HB   THR 118           HB       THR 118 -18.638 -17.803 -11.484
 1000    HG1  THR 118           HG1      THR 118 -20.853 -17.324 -11.493
 1001   HG21  THR 118          HG21      THR 118 -20.409 -19.191  -9.426
 1002   HG22  THR 118          HG22      THR 118 -20.153 -19.632 -11.126
 1003   HG23  THR 118          HG23      THR 118 -18.831 -19.822  -9.958
 1004    H    PHE 119           H        PHE 119 -16.876 -15.991 -11.228
 1005    HA   PHE 119           HA       PHE 119 -17.518 -13.261 -10.337
 1006    HB2  PHE 119           HB2      PHE 119 -15.038 -12.689 -10.533
 1007    HB3  PHE 119           HB3      PHE 119 -15.672 -13.493  -9.120
 1008    HD1  PHE 119           HD1      PHE 119 -13.793 -14.106 -12.285
 1009    HD2  PHE 119           HD2      PHE 119 -14.879 -15.623  -8.399
 1010    HE1  PHE 119           HE1      PHE 119 -12.143 -15.949 -12.541
 1011    HE2  PHE 119           HE2      PHE 119 -13.237 -17.468  -8.661
 1012    HZ   PHE 119           HZ       PHE 119 -11.868 -17.637 -10.729
 1013    H    GLY 120           H        GLY 120 -18.507 -14.603 -12.632
 1014    HA2  GLY 120           HA2      GLY 120 -19.197 -13.913 -14.760
 1015    HA3  GLY 120           HA3      GLY 120 -18.145 -12.508 -14.647
 1016    H1   ASP  10           H1       ASP  10  -6.651   0.449  22.000
 1017    H2   ASP  10           H2       ASP  10  -7.580   1.426  21.062
 1018    H3   ASP  10           H3       ASP  10  -8.224   0.071  21.735
 1019    HA   ASP  10           HA       ASP  10  -6.071   0.073  19.753
 1020    HB2  ASP  10           HB2      ASP  10  -6.621  -2.391  19.492
 1021    HB3  ASP  10           HB3      ASP  10  -5.734  -1.868  20.909
 1022    H    TYR  11           H        TYR  11  -6.595  -0.920  17.639
 1023    HA   TYR  11           HA       TYR  11  -9.317  -0.430  16.713
 1024    HB2  TYR  11           HB2      TYR  11  -8.369   1.056  14.799
 1025    HB3  TYR  11           HB3      TYR  11  -8.823   1.695  16.358
 1026    HD1  TYR  11           HD1      TYR  11  -7.284   2.851  17.732
 1027    HD2  TYR  11           HD2      TYR  11  -5.873   0.631  14.312
 1028    HE1  TYR  11           HE1      TYR  11  -5.026   3.868  18.004
 1029    HE2  TYR  11           HE2      TYR  11  -3.610   1.673  14.586
 1030    HH   TYR  11           HH       TYR  11  -2.244   2.936  16.013
 1031    H    GLU  12           H        GLU  12  -9.860  -0.835  14.540
 1032    HA   GLU  12           HA       GLU  12  -8.866  -3.472  13.768
 1033    HB2  GLU  12           HB2      GLU  12 -10.822  -3.517  12.259
 1034    HB3  GLU  12           HB3      GLU  12 -11.168  -3.330  13.982
 1035    HG2  GLU  12           HG2      GLU  12 -11.628  -0.927  13.647
 1036    HG3  GLU  12           HG3      GLU  12 -11.219  -1.074  11.932
 1037    H    SER  13           H        SER  13  -9.938  -2.416  10.868
 1038    HA   SER  13           HA       SER  13  -7.497  -2.788   9.576
 1039    HB2  SER  13           HB2      SER  13 -10.079  -1.628   8.491
 1040    HB3  SER  13           HB3      SER  13  -8.773  -2.342   7.538
 1041    HG   SER  13           HG       SER  13  -9.161  -4.325   8.552
 1042    H    ASP  14           H        ASP  14  -6.522  -0.795  11.001
 1043    HA   ASP  14           HA       ASP  14  -6.080   1.407   9.056
 1044    HB2  ASP  14           HB2      ASP  14  -5.833   1.407  12.032
 1045    HB3  ASP  14           HB3      ASP  14  -5.005   2.608  11.040
 1046    H    ASP  15           H        ASP  15  -3.463   1.408  11.120
 1047    HA   ASP  15           HA       ASP  15  -1.705  -0.244   9.477
 1048    HB2  ASP  15           HB2      ASP  15  -1.580   2.775   9.452
 1049    HB3  ASP  15           HB3      ASP  15  -0.140   1.816   9.203
 1050    H    ASP  16           H        ASP  16   0.540  -0.313  10.214
 1051    HA   ASP  16           HA       ASP  16   2.084  -0.731  11.727
 1052    HB2  ASP  16           HB2      ASP  16   1.372   2.105  12.391
 1053    HB3  ASP  16           HB3      ASP  16   2.733   1.277  13.140
 1054    H    SER  17           H        SER  17   0.367   1.036  14.259
 1055    HA   SER  17           HA       SER  17   1.276  -0.988  16.177
 1056    HB2  SER  17           HB2      SER  17   0.605   0.729  17.839
 1057    HB3  SER  17           HB3      SER  17   1.727   1.343  16.614
 1058    HG   SER  17           HG       SER  17  -0.025   2.792  16.966
 1059    H    TYR  18           H        TYR  18  -1.501  -0.674  14.433
 1060    HA   TYR  18           HA       TYR  18  -3.651  -1.142  16.139
 1061    HB2  TYR  18           HB2      TYR  18  -4.755  -2.039  14.106
 1062    HB3  TYR  18           HB3      TYR  18  -3.956  -0.502  13.906
 1063    HD1  TYR  18           HD1      TYR  18  -1.208  -2.768  13.656
 1064    HD2  TYR  18           HD2      TYR  18  -4.801  -1.521  11.640
 1065    HE1  TYR  18           HE1      TYR  18  -0.267  -3.541  11.550
 1066    HE2  TYR  18           HE2      TYR  18  -3.903  -2.478   9.504
 1067    HH   TYR  18           HH       TYR  18  -0.656  -3.970   9.318
 1068    H    GLU  19           H        GLU  19  -5.075  -2.960  16.448
 1069    HA   GLU  19           HA       GLU  19  -3.695  -5.611  16.643
 1070    HB2  GLU  19           HB2      GLU  19  -6.220  -4.590  17.972
 1071    HB3  GLU  19           HB3      GLU  19  -5.663  -6.255  18.065
 1072    HG2  GLU  19           HG2      GLU  19  -4.143  -3.823  19.084
 1073    HG3  GLU  19           HG3      GLU  19  -5.061  -4.950  20.061
 1074    H    VAL  20           H        VAL  20  -6.090  -3.943  14.826
 1075    HA   VAL  20           HA       VAL  20  -7.117  -4.334  13.003
 1076    HB   VAL  20           HB       VAL  20  -5.759  -6.743  12.026
 1077   HG11  VAL  20          HG11      VAL  20  -7.251  -5.245  10.660
 1078   HG12  VAL  20          HG12      VAL  20  -6.124  -3.906  10.973
 1079   HG13  VAL  20          HG13      VAL  20  -5.577  -5.290  10.041
 1080   HG21  VAL  20          HG21      VAL  20  -3.718  -5.275  11.511
 1081   HG22  VAL  20          HG22      VAL  20  -4.271  -4.250  12.831
 1082   HG23  VAL  20          HG23      VAL  20  -3.840  -5.928  13.162
 1083    H    LEU  21           H        LEU  21  -6.921  -7.616  14.337
 1084    HA   LEU  21           HA       LEU  21  -9.503  -8.374  13.139
 1085    HB2  LEU  21           HB2      LEU  21  -7.406  -9.841  13.601
 1086    HB3  LEU  21           HB3      LEU  21  -7.904  -9.807  15.288
 1087    HG   LEU  21           HG       LEU  21 -10.105 -10.883  14.570
 1088   HD11  LEU  21          HD11      LEU  21  -8.624 -11.113  11.902
 1089   HD12  LEU  21          HD12      LEU  21 -10.091 -12.012  12.334
 1090   HD13  LEU  21          HD13      LEU  21 -10.155 -10.256  12.179
 1091   HD21  LEU  21          HD21      LEU  21  -9.082 -13.108  14.217
 1092   HD22  LEU  21          HD22      LEU  21  -7.515 -12.324  13.884
 1093   HD23  LEU  21          HD23      LEU  21  -8.254 -12.196  15.488
 1094    H    ASP  22           H        ASP  22  -8.636  -6.469  15.760
 1095    HA   ASP  22           HA       ASP  22  -9.414  -5.995  17.808
 1096    HB2  ASP  22           HB2      ASP  22 -10.768  -4.648  16.417
 1097    HB3  ASP  22           HB3      ASP  22 -11.873  -5.968  16.110
 1098    H    LEU  23           H        LEU  23  -8.711  -8.496  17.958
 1099    HA   LEU  23           HA       LEU  23 -10.513  -9.764  19.916
 1100    HB2  LEU  23           HB2      LEU  23 -11.413 -10.588  17.818
 1101    HB3  LEU  23           HB3      LEU  23  -9.801 -10.943  17.210
 1102    HG   LEU  23           HG       LEU  23  -9.539 -12.754  18.892
 1103   HD11  LEU  23          HD11      LEU  23 -12.454 -12.121  19.566
 1104   HD12  LEU  23          HD12      LEU  23 -11.555 -13.556  20.105
 1105   HD13  LEU  23          HD13      LEU  23 -11.068 -11.957  20.667
 1106   HD21  LEU  23          HD21      LEU  23 -12.076 -12.974  17.221
 1107   HD22  LEU  23          HD22      LEU  23 -10.420 -13.223  16.626
 1108   HD23  LEU  23          HD23      LEU  23 -11.092 -14.319  17.839
 1109    H    THR  24           H        THR  24  -9.226 -10.319  21.571
 1110    HA   THR  24           HA       THR  24  -6.415 -10.754  21.351
 1111    HB   THR  24           HB       THR  24  -7.891 -11.634  23.786
 1112    HG1  THR  24           HG1      THR  24  -8.062  -9.505  24.453
 1113   HG21  THR  24          HG21      THR  24  -5.437 -11.771  23.811
 1114   HG22  THR  24          HG22      THR  24  -5.321 -10.056  23.347
 1115   HG23  THR  24          HG23      THR  24  -5.997 -10.522  24.925
 1116    H    GLU  25           H        GLU  25  -5.087 -12.538  21.518
 1117    HA   GLU  25           HA       GLU  25  -6.215 -15.180  22.014
 1118    HB2  GLU  25           HB2      GLU  25  -6.621 -14.997  19.613
 1119    HB3  GLU  25           HB3      GLU  25  -4.977 -14.433  19.349
 1120    HG2  GLU  25           HG2      GLU  25  -5.186 -16.670  18.554
 1121    HG3  GLU  25           HG3      GLU  25  -4.082 -16.645  19.912
 1122    H    TYR  26           H        TYR  26  -4.750 -16.657  22.773
 1123    HA   TYR  26           HA       TYR  26  -1.915 -15.911  22.985
 1124    HB2  TYR  26           HB2      TYR  26  -3.709 -16.380  25.331
 1125    HB3  TYR  26           HB3      TYR  26  -1.984 -16.671  25.412
 1126    HD1  TYR  26           HD1      TYR  26  -4.512 -14.166  25.720
 1127    HD2  TYR  26           HD2      TYR  26  -0.361 -14.778  24.719
 1128    HE1  TYR  26           HE1      TYR  26  -4.040 -11.774  26.230
 1129    HE2  TYR  26           HE2      TYR  26   0.112 -12.374  25.209
 1130    HH   TYR  26           HH       TYR  26  -2.449 -10.115  26.315
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -6.744   2.578   7.235
    2    H2   MET   1           H2       MET   1  -7.382   1.682   8.421
    3    H3   MET   1           H3       MET   1  -7.400   1.120   6.864
    4    HA   MET   1           HA       MET   1  -8.967   3.339   8.047
    5    HB2  MET   1           HB2      MET   1  -8.016   4.179   5.961
    6    HB3  MET   1           HB3      MET   1  -8.585   2.765   5.080
    7    HG2  MET   1           HG2      MET   1 -10.009   4.704   4.659
    8    HG3  MET   1           HG3      MET   1 -10.912   3.411   5.421
    9    HE1  MET   1           HE1      MET   1  -8.524   6.325   6.951
   10    HE2  MET   1           HE2      MET   1  -9.527   7.053   5.669
   11    HE3  MET   1           HE3      MET   1  -9.803   7.482   7.367
   12    HA   PRO   2           HA       PRO   2 -11.706  -0.389   8.011
   13    HB2  PRO   2           HB2      PRO   2 -12.943  -0.021  10.427
   14    HB3  PRO   2           HB3      PRO   2 -11.319  -0.742  10.299
   15    HG2  PRO   2           HG2      PRO   2 -12.022   2.161  10.882
   16    HG3  PRO   2           HG3      PRO   2 -10.904   1.080  11.768
   17    HD2  PRO   2           HD2      PRO   2 -10.030   2.851   9.887
   18    HD3  PRO   2           HD3      PRO   2  -9.273   1.238  10.105
   19    H    SER   3           H        SER   3 -12.734   0.621   6.189
   20    HA   SER   3           HA       SER   3 -15.253   2.096   6.772
   21    HB2  SER   3           HB2      SER   3 -13.438   3.778   6.473
   22    HB3  SER   3           HB3      SER   3 -13.119   3.115   4.858
   23    HG   SER   3           HG       SER   3 -14.573   5.013   4.991
   24    H    GLU   4           H        GLU   4 -16.376   2.555   4.571
   25    HA   GLU   4           HA       GLU   4 -17.077   0.083   3.264
   26    HB2  GLU   4           HB2      GLU   4 -18.651   1.866   3.529
   27    HB3  GLU   4           HB3      GLU   4 -17.635   3.025   2.694
   28    HG2  GLU   4           HG2      GLU   4 -18.564   0.561   1.211
   29    HG3  GLU   4           HG3      GLU   4 -19.742   1.809   1.570
   30    H    LYS   5           H        LYS   5 -14.833   2.674   2.419
   31    HA   LYS   5           HA       LYS   5 -14.316   1.592  -0.269
   32    HB2  LYS   5           HB2      LYS   5 -13.101   3.973   1.198
   33    HB3  LYS   5           HB3      LYS   5 -12.737   3.511  -0.478
   34    HG2  LYS   5           HG2      LYS   5 -15.140   3.696  -1.061
   35    HG3  LYS   5           HG3      LYS   5 -15.494   4.186   0.609
   36    HD2  LYS   5           HD2      LYS   5 -14.257   6.253   0.357
   37    HD3  LYS   5           HD3      LYS   5 -13.695   5.764  -1.250
   38    HE2  LYS   5           HE2      LYS   5 -15.556   7.361  -1.416
   39    HE3  LYS   5           HE3      LYS   5 -15.958   5.806  -2.147
   40    HZ1  LYS   5           HZ1      LYS   5 -17.783   6.674  -0.778
   41    HZ2  LYS   5           HZ2      LYS   5 -17.271   5.247  -0.158
   42    HZ3  LYS   5           HZ3      LYS   5 -16.854   6.670   0.563
   43    H    THR   6           H        THR   6 -12.344   0.874  -1.069
   44    HA   THR   6           HA       THR   6 -10.912  -0.891   0.694
   45    HB   THR   6           HB       THR   6  -9.892  -1.854  -1.043
   46    HG1  THR   6           HG1      THR   6  -9.394  -0.691  -2.991
   47   HG21  THR   6          HG21      THR   6 -11.294  -1.996  -2.990
   48   HG22  THR   6          HG22      THR   6 -12.361  -1.823  -1.589
   49   HG23  THR   6          HG23      THR   6 -12.049  -0.430  -2.659
   50    H    PHE   7           H        PHE   7  -8.440  -1.030   0.738
   51    HA   PHE   7           HA       PHE   7  -7.363   1.318   2.006
   52    HB2  PHE   7           HB2      PHE   7  -5.227   0.107   1.957
   53    HB3  PHE   7           HB3      PHE   7  -6.534  -0.923   2.506
   54    HD1  PHE   7           HD1      PHE   7  -7.150  -2.935   1.293
   55    HD2  PHE   7           HD2      PHE   7  -4.300  -0.153  -0.391
   56    HE1  PHE   7           HE1      PHE   7  -6.714  -4.501  -0.579
   57    HE2  PHE   7           HE2      PHE   7  -3.844  -1.745  -2.234
   58    HZ   PHE   7           HZ       PHE   7  -5.079  -3.896  -2.359
   59    H    LYS   8           H        LYS   8  -7.680   0.585  -1.430
   60    HA   LYS   8           HA       LYS   8  -5.251   1.839  -2.298
   61    HB2  LYS   8           HB2      LYS   8  -6.484   0.167  -3.597
   62    HB3  LYS   8           HB3      LYS   8  -7.831   1.287  -3.802
   63    HG2  LYS   8           HG2      LYS   8  -6.443   1.105  -5.816
   64    HG3  LYS   8           HG3      LYS   8  -6.501   2.750  -5.194
   65    HD2  LYS   8           HD2      LYS   8  -4.219   2.458  -4.205
   66    HD3  LYS   8           HD3      LYS   8  -4.214   0.776  -4.732
   67    HE2  LYS   8           HE2      LYS   8  -2.849   2.167  -6.198
   68    HE3  LYS   8           HE3      LYS   8  -4.207   1.463  -7.078
   69    HZ1  LYS   8           HZ1      LYS   8  -3.849   3.842  -7.595
   70    HZ2  LYS   8           HZ2      LYS   8  -5.336   3.614  -6.979
   71    HZ3  LYS   8           HZ3      LYS   8  -4.153   4.267  -6.051
   72    H    GLN   9           H        GLN   9  -8.278   3.258  -1.374
   73    HA   GLN   9           HA       GLN   9  -7.936   5.881  -2.487
   74    HB2  GLN   9           HB2      GLN   9 -10.021   5.088  -1.544
   75    HB3  GLN   9           HB3      GLN   9  -9.302   4.850   0.045
   76    HG2  GLN   9           HG2      GLN   9  -9.184   7.646  -1.104
   77    HG3  GLN   9           HG3      GLN   9 -10.766   7.020  -0.676
   78   HE21  GLN   9          HE21      GLN   9 -11.045   6.147   1.631
   79   HE22  GLN   9          HE22      GLN   9 -10.084   6.927   2.876
   80    H    ARG  10           H        ARG  10  -6.445   4.266   0.293
   81    HA   ARG  10           HA       ARG  10  -5.109   6.782   1.167
   82    HB2  ARG  10           HB2      ARG  10  -6.548   5.193   2.703
   83    HB3  ARG  10           HB3      ARG  10  -5.141   4.141   2.667
   84    HG2  ARG  10           HG2      ARG  10  -4.592   5.350   4.537
   85    HG3  ARG  10           HG3      ARG  10  -3.880   6.452   3.359
   86    HD2  ARG  10           HD2      ARG  10  -6.594   6.672   4.718
   87    HD3  ARG  10           HD3      ARG  10  -5.202   7.713   4.979
   88    HE   ARG  10           HE       ARG  10  -7.097   7.727   2.687
   89   HH11  ARG  10          HH11      ARG  10  -6.077  10.709   1.478
   90   HH12  ARG  10          HH12      ARG  10  -7.216   9.371   1.402
   91   HH21  ARG  10          HH21      ARG  10  -4.210   9.254   4.003
   92   HH22  ARG  10          HH22      ARG  10  -4.380  10.629   2.949
   93    H    ARG  11           H        ARG  11  -4.207   3.396   0.262
   94    HA   ARG  11           HA       ARG  11  -1.338   4.276   0.073
   95    HB2  ARG  11           HB2      ARG  11  -2.434   1.748   1.353
   96    HB3  ARG  11           HB3      ARG  11  -0.725   2.089   1.137
   97    HG2  ARG  11           HG2      ARG  11  -2.575   3.764   2.908
   98    HG3  ARG  11           HG3      ARG  11  -1.660   2.389   3.457
   99    HD2  ARG  11           HD2      ARG  11  -0.373   4.220   4.103
  100    HD3  ARG  11           HD3      ARG  11   0.468   3.542   2.699
  101    HE   ARG  11           HE       ARG  11  -1.337   5.637   1.869
  102   HH11  ARG  11          HH11      ARG  11  -0.633   7.582   1.225
  103   HH12  ARG  11          HH12      ARG  11   0.919   8.186   1.742
  104   HH21  ARG  11          HH21      ARG  11   1.723   5.369   3.559
  105   HH22  ARG  11          HH22      ARG  11   2.254   6.934   3.007
  106    H    THR  12           H        THR  12   0.012   3.198  -1.272
  107    HA   THR  12           HA       THR  12  -1.161   1.802  -3.584
  108    HB   THR  12           HB       THR  12   0.814   2.158  -4.749
  109    HG1  THR  12           HG1      THR  12   2.735   2.821  -3.694
  110   HG21  THR  12          HG21      THR  12   1.315   4.508  -4.601
  111   HG22  THR  12          HG22      THR  12  -0.414   4.290  -4.299
  112   HG23  THR  12          HG23      THR  12   0.697   4.609  -2.940
  113    H    PHE  13           H        PHE  13   0.010  -0.091  -4.602
  114    HA   PHE  13           HA       PHE  13   0.243  -2.270  -2.793
  115    HB2  PHE  13           HB2      PHE  13  -0.407  -2.863  -4.906
  116    HB3  PHE  13           HB3      PHE  13   0.873  -1.949  -5.680
  117    HD1  PHE  13           HD1      PHE  13   0.053  -5.140  -4.013
  118    HD2  PHE  13           HD2      PHE  13   3.169  -2.811  -5.882
  119    HE1  PHE  13           HE1      PHE  13   1.472  -7.183  -4.205
  120    HE2  PHE  13           HE2      PHE  13   4.580  -4.845  -6.054
  121    HZ   PHE  13           HZ       PHE  13   3.735  -7.024  -5.207
  122    H    GLU  14           H        GLU  14   2.916  -0.291  -4.121
  123    HA   GLU  14           HA       GLU  14   4.992  -1.824  -2.809
  124    HB2  GLU  14           HB2      GLU  14   4.911   1.108  -3.637
  125    HB3  GLU  14           HB3      GLU  14   6.351   0.232  -3.078
  126    HG2  GLU  14           HG2      GLU  14   6.059  -1.389  -4.962
  127    HG3  GLU  14           HG3      GLU  14   4.711  -0.419  -5.566
  128    H    GLN  15           H        GLN  15   2.890   0.824  -1.648
  129    HA   GLN  15           HA       GLN  15   4.188   0.986   0.949
  130    HB2  GLN  15           HB2      GLN  15   1.478   1.874  -0.051
  131    HB3  GLN  15           HB3      GLN  15   2.058   2.168   1.596
  132    HG2  GLN  15           HG2      GLN  15   3.864   3.543   0.856
  133    HG3  GLN  15           HG3      GLN  15   3.704   3.028  -0.820
  134   HE21  GLN  15          HE21      GLN  15   3.848   5.681  -0.578
  135   HE22  GLN  15          HE22      GLN  15   2.246   6.383  -0.779
  136    H    ARG  16           H        ARG  16   1.605  -1.143  -0.358
  137    HA   ARG  16           HA       ARG  16   1.023  -2.424   2.168
  138    HB2  ARG  16           HB2      ARG  16   0.991  -3.734  -0.588
  139    HB3  ARG  16           HB3      ARG  16   0.325  -4.423   0.852
  140    HG2  ARG  16           HG2      ARG  16  -0.758  -1.830  -0.294
  141    HG3  ARG  16           HG3      ARG  16  -1.246  -3.415  -0.876
  142    HD2  ARG  16           HD2      ARG  16  -2.911  -2.854   0.642
  143    HD3  ARG  16           HD3      ARG  16  -1.920  -3.994   1.518
  144    HE   ARG  16           HE       ARG  16  -2.077  -1.021   1.872
  145   HH11  ARG  16          HH11      ARG  16  -0.977  -4.060   3.295
  146   HH12  ARG  16          HH12      ARG  16  -0.412  -3.229   4.743
  147   HH21  ARG  16          HH21      ARG  16  -1.282  -0.102   3.764
  148   HH22  ARG  16          HH22      ARG  16  -0.550  -1.161   4.958
  149    H    VAL  17           H        VAL  17   3.501  -3.142  -0.315
  150    HA   VAL  17           HA       VAL  17   4.730  -5.320   1.016
  151    HB   VAL  17           HB       VAL  17   6.212  -3.263  -0.671
  152   HG11  VAL  17          HG11      VAL  17   7.739  -4.745   0.526
  153   HG12  VAL  17          HG12      VAL  17   6.804  -6.170   0.038
  154   HG13  VAL  17          HG13      VAL  17   7.695  -5.211  -1.172
  155   HG21  VAL  17          HG21      VAL  17   5.859  -4.885  -2.545
  156   HG22  VAL  17          HG22      VAL  17   4.661  -5.718  -1.537
  157   HG23  VAL  17          HG23      VAL  17   4.407  -4.049  -2.036
  158    H    GLU  18           H        GLU  18   5.588  -1.828   1.346
  159    HA   GLU  18           HA       GLU  18   7.607  -2.232   3.320
  160    HB2  GLU  18           HB2      GLU  18   5.808   0.134   2.699
  161    HB3  GLU  18           HB3      GLU  18   7.068   0.175   3.947
  162    HG2  GLU  18           HG2      GLU  18   8.784  -0.418   2.304
  163    HG3  GLU  18           HG3      GLU  18   7.575  -0.489   1.019
  164    H    ASP  19           H        ASP  19   4.123  -1.440   3.859
  165    HA   ASP  19           HA       ASP  19   4.135  -1.558   6.707
  166    HB2  ASP  19           HB2      ASP  19   2.321  -0.607   5.483
  167    HB3  ASP  19           HB3      ASP  19   2.027  -2.123   4.634
  168    H    VAL  20           H        VAL  20   3.481  -4.255   4.414
  169    HA   VAL  20           HA       VAL  20   3.193  -6.247   6.458
  170    HB   VAL  20           HB       VAL  20   3.916  -6.451   3.508
  171   HG11  VAL  20          HG11      VAL  20   4.814  -8.474   4.505
  172   HG12  VAL  20          HG12      VAL  20   3.386  -8.651   5.550
  173   HG13  VAL  20          HG13      VAL  20   3.256  -8.885   3.795
  174   HG21  VAL  20          HG21      VAL  20   1.606  -5.645   4.128
  175   HG22  VAL  20          HG22      VAL  20   1.586  -7.213   3.323
  176   HG23  VAL  20          HG23      VAL  20   1.375  -7.119   5.083
  177    H    ARG  21           H        ARG  21   6.180  -5.114   4.728
  178    HA   ARG  21           HA       ARG  21   7.890  -7.078   5.956
  179    HB2  ARG  21           HB2      ARG  21   8.690  -5.824   4.038
  180    HB3  ARG  21           HB3      ARG  21   8.563  -4.291   4.917
  181    HG2  ARG  21           HG2      ARG  21  10.255  -5.041   6.543
  182    HG3  ARG  21           HG3      ARG  21  10.329  -6.627   5.774
  183    HD2  ARG  21           HD2      ARG  21  11.351  -5.642   3.789
  184    HD3  ARG  21           HD3      ARG  21  11.146  -4.005   4.469
  185    HE   ARG  21           HE       ARG  21  12.473  -5.429   6.460
  186   HH11  ARG  21          HH11      ARG  21  13.446  -4.638   3.170
  187   HH12  ARG  21          HH12      ARG  21  15.132  -4.765   3.589
  188   HH21  ARG  21          HH21      ARG  21  14.421  -5.547   6.909
  189   HH22  ARG  21          HH22      ARG  21  15.716  -5.264   5.745
  190    H    LEU  22           H        LEU  22   7.282  -3.669   7.027
  191    HA   LEU  22           HA       LEU  22   8.773  -3.888   9.429
  192    HB2  LEU  22           HB2      LEU  22   6.472  -2.115   8.505
  193    HB3  LEU  22           HB3      LEU  22   7.022  -2.083  10.177
  194    HG   LEU  22           HG       LEU  22   9.404  -1.778   9.234
  195   HD11  LEU  22          HD11      LEU  22   9.581  -0.513   7.144
  196   HD12  LEU  22          HD12      LEU  22   8.956  -2.134   6.840
  197   HD13  LEU  22          HD13      LEU  22   7.846  -0.739   6.844
  198   HD21  LEU  22          HD21      LEU  22   9.110   0.674   9.190
  199   HD22  LEU  22          HD22      LEU  22   7.354   0.460   9.007
  200   HD23  LEU  22          HD23      LEU  22   8.175  -0.068  10.497
  201    H    ILE  23           H        ILE  23   5.331  -4.709   8.826
  202    HA   ILE  23           HA       ILE  23   4.723  -5.498  11.499
  203    HB   ILE  23           HB       ILE  23   3.578  -6.162   8.791
  204   HG12  ILE  23          HG12      ILE  23   3.085  -3.926   9.609
  205   HG13  ILE  23          HG13      ILE  23   1.635  -4.903   9.585
  206   HG21  ILE  23          HG21      ILE  23   1.678  -7.260   9.928
  207   HG22  ILE  23          HG22      ILE  23   3.151  -8.203   9.971
  208   HG23  ILE  23          HG23      ILE  23   2.634  -7.324  11.434
  209   HD11  ILE  23          HD11      ILE  23   3.246  -3.983  11.997
  210   HD12  ILE  23          HD12      ILE  23   1.607  -3.529  11.548
  211   HD13  ILE  23          HD13      ILE  23   1.925  -5.178  12.117
  212    H    ARG  24           H        ARG  24   5.939  -7.573   8.794
  213    HA   ARG  24           HA       ARG  24   6.021  -9.963  10.418
  214    HB2  ARG  24           HB2      ARG  24   7.489  -9.129   7.879
  215    HB3  ARG  24           HB3      ARG  24   7.702 -10.711   8.607
  216    HG2  ARG  24           HG2      ARG  24   5.012  -9.619   7.671
  217    HG3  ARG  24           HG3      ARG  24   6.063 -10.659   6.717
  218    HD2  ARG  24           HD2      ARG  24   4.726 -11.405   9.347
  219    HD3  ARG  24           HD3      ARG  24   4.241 -11.920   7.723
  220    HE   ARG  24           HE       ARG  24   6.786 -12.799   7.749
  221   HH11  ARG  24          HH11      ARG  24   7.707 -14.629   8.619
  222   HH12  ARG  24          HH12      ARG  24   6.853 -15.530   9.831
  223   HH21  ARG  24          HH21      ARG  24   4.159 -13.417  10.039
  224   HH22  ARG  24          HH22      ARG  24   5.008 -14.778  10.718
  225    H    GLU  25           H        GLU  25   8.419  -7.405   9.972
  226    HA   GLU  25           HA       GLU  25  10.511  -8.676  11.488
  227    HB2  GLU  25           HB2      GLU  25   9.909  -5.777  10.843
  228    HB3  GLU  25           HB3      GLU  25  11.320  -6.279  11.784
  229    HG2  GLU  25           HG2      GLU  25  12.104  -7.705   9.949
  230    HG3  GLU  25           HG3      GLU  25  10.703  -7.283   8.971
  231    H    GLN  26           H        GLN  26   7.733  -6.680  12.647
  232    HA   GLN  26           HA       GLN  26   8.718  -6.991  15.430
  233    HB2  GLN  26           HB2      GLN  26   6.920  -5.577  16.107
  234    HB3  GLN  26           HB3      GLN  26   7.813  -4.832  14.787
  235    HG2  GLN  26           HG2      GLN  26   6.037  -5.181  13.245
  236    HG3  GLN  26           HG3      GLN  26   5.237  -6.362  14.275
  237   HE21  GLN  26          HE21      GLN  26   3.012  -3.686  14.994
  238   HE22  GLN  26          HE22      GLN  26   3.232  -5.235  14.214
  239    H    HIS  27           H        HIS  27   6.352  -8.610  13.394
  240    HA   HIS  27           HA       HIS  27   5.476 -10.317  15.708
  241    HB2  HIS  27           HB2      HIS  27   3.681  -9.049  13.604
  242    HB3  HIS  27           HB3      HIS  27   3.171 -10.214  14.816
  243    HD1  HIS  27           HD1      HIS  27   4.871  -8.455  17.215
  244    HD2  HIS  27           HD2      HIS  27   1.669  -7.523  14.617
  245    HE1  HIS  27           HE1      HIS  27   3.429  -6.704  18.432
  246    HE2  HIS  27           HE2      HIS  27   1.475  -6.139  16.844
  247    HA   PRO  28           HA       PRO  28   6.669 -12.989  12.078
  248    HB2  PRO  28           HB2      PRO  28   8.274 -14.785  13.396
  249    HB3  PRO  28           HB3      PRO  28   8.829 -13.225  12.725
  250    HG2  PRO  28           HG2      PRO  28   7.999 -13.819  15.587
  251    HG3  PRO  28           HG3      PRO  28   9.493 -13.006  15.017
  252    HD2  PRO  28           HD2      PRO  28   7.361 -11.567  15.840
  253    HD3  PRO  28           HD3      PRO  28   8.313 -11.045  14.415
  254    H    THR  29           H        THR  29   5.176 -13.640  15.206
  255    HA   THR  29           HA       THR  29   4.043 -16.213  14.459
  256    HB   THR  29           HB       THR  29   2.929 -16.243  16.486
  257    HG1  THR  29           HG1      THR  29   2.634 -14.370  17.736
  258   HG21  THR  29          HG21      THR  29   4.561 -15.751  18.180
  259   HG22  THR  29          HG22      THR  29   5.447 -16.281  16.739
  260   HG23  THR  29          HG23      THR  29   5.383 -14.554  17.163
  261    H    LYS  30           H        LYS  30   3.217 -13.146  13.323
  262    HA   LYS  30           HA       LYS  30   0.368 -13.972  12.901
  263    HB2  LYS  30           HB2      LYS  30   1.549 -11.187  13.152
  264    HB3  LYS  30           HB3      LYS  30  -0.116 -11.538  12.661
  265    HG2  LYS  30           HG2      LYS  30  -0.569 -12.674  14.784
  266    HG3  LYS  30           HG3      LYS  30   1.103 -12.438  15.310
  267    HD2  LYS  30           HD2      LYS  30   0.811 -10.002  15.355
  268    HD3  LYS  30           HD3      LYS  30  -0.794 -10.155  14.633
  269    HE2  LYS  30           HE2      LYS  30  -0.995  -9.710  17.012
  270    HE3  LYS  30           HE3      LYS  30  -1.641 -11.304  16.627
  271    HZ1  LYS  30           HZ1      LYS  30   0.406 -12.278  17.578
  272    HZ2  LYS  30           HZ2      LYS  30   1.034 -10.783  17.867
  273    HZ3  LYS  30           HZ3      LYS  30  -0.327 -11.266  18.650
  274    H    ILE  31           H        ILE  31  -0.666 -13.613  11.054
  275    HA   ILE  31           HA       ILE  31   1.019 -13.817   8.615
  276    HB   ILE  31           HB       ILE  31  -1.755 -14.867   9.270
  277   HG12  ILE  31          HG12      ILE  31  -0.111 -16.052  10.599
  278   HG13  ILE  31          HG13      ILE  31  -0.738 -17.088   9.335
  279   HG21  ILE  31          HG21      ILE  31  -1.616 -14.504   6.884
  280   HG22  ILE  31          HG22      ILE  31  -0.005 -15.244   6.811
  281   HG23  ILE  31          HG23      ILE  31  -1.436 -16.234   7.192
  282   HD11  ILE  31          HD11      ILE  31   1.655 -17.446   9.614
  283   HD12  ILE  31          HD12      ILE  31   1.351 -16.758   8.010
  284   HD13  ILE  31          HD13      ILE  31   1.999 -15.739   9.318
  285    HA   PRO  32           HA       PRO  32  -1.049  -9.953   7.522
  286    HB2  PRO  32           HB2      PRO  32   0.277  -9.326   5.241
  287    HB3  PRO  32           HB3      PRO  32   1.053  -9.272   6.849
  288    HG2  PRO  32           HG2      PRO  32   1.179 -11.521   4.798
  289    HG3  PRO  32           HG3      PRO  32   2.539 -10.769   5.681
  290    HD2  PRO  32           HD2      PRO  32   1.358 -13.089   6.481
  291    HD3  PRO  32           HD3      PRO  32   2.012 -11.906   7.658
  292    H    VAL  33           H        VAL  33  -3.155 -10.390   7.090
  293    HA   VAL  33           HA       VAL  33  -3.869 -11.478   4.414
  294    HB   VAL  33           HB       VAL  33  -5.686 -11.419   6.820
  295   HG11  VAL  33          HG11      VAL  33  -5.794 -12.969   4.206
  296   HG12  VAL  33          HG12      VAL  33  -6.943 -13.117   5.567
  297   HG13  VAL  33          HG13      VAL  33  -6.852 -11.616   4.657
  298   HG21  VAL  33          HG21      VAL  33  -5.228 -13.860   7.028
  299   HG22  VAL  33          HG22      VAL  33  -3.890 -13.674   5.859
  300   HG23  VAL  33          HG23      VAL  33  -3.833 -12.861   7.433
  301    H    ILE  34           H        ILE  34  -5.117 -10.374   3.029
  302    HA   ILE  34           HA       ILE  34  -6.182  -7.686   3.840
  303    HB   ILE  34           HB       ILE  34  -5.355  -8.515   1.050
  304   HG12  ILE  34          HG12      ILE  34  -3.283  -8.593   2.335
  305   HG13  ILE  34          HG13      ILE  34  -3.300  -7.272   1.195
  306   HG21  ILE  34          HG21      ILE  34  -6.916  -6.671   1.059
  307   HG22  ILE  34          HG22      ILE  34  -5.995  -5.820   2.319
  308   HG23  ILE  34          HG23      ILE  34  -5.307  -6.025   0.698
  309   HD11  ILE  34          HD11      ILE  34  -3.826  -6.950   4.184
  310   HD12  ILE  34          HD12      ILE  34  -2.290  -6.640   3.363
  311   HD13  ILE  34          HD13      ILE  34  -3.705  -5.640   2.985
  312    H    ILE  35           H        ILE  35  -8.327  -7.264   3.330
  313    HA   ILE  35           HA       ILE  35  -9.802  -9.327   1.772
  314    HB   ILE  35           HB       ILE  35 -10.236  -9.570   4.236
  315   HG12  ILE  35          HG12      ILE  35 -12.711  -8.896   2.570
  316   HG13  ILE  35          HG13      ILE  35 -11.743 -10.365   2.351
  317   HG21  ILE  35          HG21      ILE  35 -11.909  -7.025   3.899
  318   HG22  ILE  35          HG22      ILE  35 -11.761  -8.007   5.353
  319   HG23  ILE  35          HG23      ILE  35 -10.357  -7.111   4.787
  320   HD11  ILE  35          HD11      ILE  35 -13.678 -10.858   3.724
  321   HD12  ILE  35          HD12      ILE  35 -12.201 -11.056   4.676
  322   HD13  ILE  35          HD13      ILE  35 -13.240  -9.621   4.898
  323    H    GLU  36           H        GLU  36 -11.285  -8.645   0.336
  324    HA   GLU  36           HA       GLU  36 -12.132  -5.774   0.295
  325    HB2  GLU  36           HB2      GLU  36 -10.099  -6.190  -1.195
  326    HB3  GLU  36           HB3      GLU  36 -11.093  -7.326  -2.110
  327    HG2  GLU  36           HG2      GLU  36 -12.709  -5.319  -2.454
  328    HG3  GLU  36           HG3      GLU  36 -11.403  -4.321  -1.834
  329    H    ARG  37           H        ARG  37 -14.331  -5.537  -0.274
  330    HA   ARG  37           HA       ARG  37 -15.972  -7.897  -0.742
  331    HB2  ARG  37           HB2      ARG  37 -16.928  -5.870   0.304
  332    HB3  ARG  37           HB3      ARG  37 -16.531  -4.922  -1.125
  333    HG2  ARG  37           HG2      ARG  37 -18.874  -5.339  -1.202
  334    HG3  ARG  37           HG3      ARG  37 -18.137  -6.312  -2.465
  335    HD2  ARG  37           HD2      ARG  37 -18.173  -8.159  -0.479
  336    HD3  ARG  37           HD3      ARG  37 -19.484  -7.127   0.096
  337    HE   ARG  37           HE       ARG  37 -19.935  -7.632  -2.684
  338   HH11  ARG  37          HH11      ARG  37 -21.903 -10.428  -2.528
  339   HH12  ARG  37          HH12      ARG  37 -21.319  -9.067  -3.462
  340   HH21  ARG  37          HH21      ARG  37 -19.922  -9.568   0.232
  341   HH22  ARG  37          HH22      ARG  37 -21.059 -10.719  -0.419
  342    H    TYR  38           H        TYR  38 -16.609  -8.840  -2.641
  343    HA   TYR  38           HA       TYR  38 -14.903  -8.606  -4.804
  344    HB2  TYR  38           HB2      TYR  38 -15.778 -10.670  -4.485
  345    HB3  TYR  38           HB3      TYR  38 -17.429 -10.087  -4.404
  346    HD1  TYR  38           HD1      TYR  38 -14.626 -10.117  -6.937
  347    HD2  TYR  38           HD2      TYR  38 -18.818 -10.784  -6.131
  348    HE1  TYR  38           HE1      TYR  38 -14.996 -10.674  -9.330
  349    HE2  TYR  38           HE2      TYR  38 -19.172 -11.387  -8.522
  350    HH   TYR  38           HH       TYR  38 -16.626 -11.051 -10.981
  351    H    LYS  39           H        LYS  39 -14.670  -7.693  -6.723
  352    HA   LYS  39           HA       LYS  39 -15.643  -5.094  -6.975
  353    HB2  LYS  39           HB2      LYS  39 -14.222  -6.913  -8.941
  354    HB3  LYS  39           HB3      LYS  39 -14.678  -5.262  -9.364
  355    HG2  LYS  39           HG2      LYS  39 -13.404  -4.348  -7.489
  356    HG3  LYS  39           HG3      LYS  39 -12.922  -5.985  -6.985
  357    HD2  LYS  39           HD2      LYS  39 -11.655  -6.317  -9.027
  358    HD3  LYS  39           HD3      LYS  39 -12.336  -4.863  -9.755
  359    HE2  LYS  39           HE2      LYS  39 -10.057  -4.432  -9.100
  360    HE3  LYS  39           HE3      LYS  39 -11.164  -3.423  -8.171
  361    HZ1  LYS  39           HZ1      LYS  39  -9.375  -4.454  -6.817
  362    HZ2  LYS  39           HZ2      LYS  39 -10.848  -4.841  -6.250
  363    HZ3  LYS  39           HZ3      LYS  39  -9.968  -5.943  -7.120
  364    H    GLY  40           H        GLY  40 -17.205  -4.041  -7.875
  365    HA2  GLY  40           HA2      GLY  40 -19.101  -3.504  -9.058
  366    HA3  GLY  40           HA3      GLY  40 -18.848  -4.928 -10.070
  367    H    GLU  41           H        GLU  41 -19.014  -5.900  -6.804
  368    HA   GLU  41           HA       GLU  41 -21.926  -6.542  -7.005
  369    HB2  GLU  41           HB2      GLU  41 -20.302  -8.324  -7.915
  370    HB3  GLU  41           HB3      GLU  41 -19.745  -8.505  -6.258
  371    HG2  GLU  41           HG2      GLU  41 -21.286 -10.226  -6.592
  372    HG3  GLU  41           HG3      GLU  41 -22.160  -9.070  -5.604
  373    H    LYS  42           H        LYS  42 -21.256  -4.480  -5.453
  374    HA   LYS  42           HA       LYS  42 -20.870  -5.213  -2.639
  375    HB2  LYS  42           HB2      LYS  42 -21.761  -2.642  -3.994
  376    HB3  LYS  42           HB3      LYS  42 -21.478  -2.807  -2.256
  377    HG2  LYS  42           HG2      LYS  42 -19.110  -3.362  -2.640
  378    HG3  LYS  42           HG3      LYS  42 -19.337  -3.246  -4.390
  379    HD2  LYS  42           HD2      LYS  42 -19.908  -0.873  -4.211
  380    HD3  LYS  42           HD3      LYS  42 -19.846  -0.948  -2.445
  381    HE2  LYS  42           HE2      LYS  42 -17.392  -1.486  -2.560
  382    HE3  LYS  42           HE3      LYS  42 -17.471  -1.392  -4.318
  383    HZ1  LYS  42           HZ1      LYS  42 -18.178   0.964  -4.062
  384    HZ2  LYS  42           HZ2      LYS  42 -18.023   0.871  -2.427
  385    HZ3  LYS  42           HZ3      LYS  42 -16.714   0.710  -3.390
  386    H    GLN  43           H        GLN  43 -22.795  -6.881  -3.532
  387    HA   GLN  43           HA       GLN  43 -25.491  -5.873  -3.191
  388    HB2  GLN  43           HB2      GLN  43 -24.857  -7.741  -4.715
  389    HB3  GLN  43           HB3      GLN  43 -24.481  -8.751  -3.311
  390    HG2  GLN  43           HG2      GLN  43 -26.867  -8.496  -2.542
  391    HG3  GLN  43           HG3      GLN  43 -27.195  -7.507  -3.969
  392   HE21  GLN  43          HE21      GLN  43 -26.677 -11.590  -4.421
  393   HE22  GLN  43          HE22      GLN  43 -26.089 -10.818  -2.956
  394    H    LEU  44           H        LEU  44 -23.443  -8.005  -1.145
  395    HA   LEU  44           HA       LEU  44 -25.321  -7.825   1.120
  396    HB2  LEU  44           HB2      LEU  44 -22.457  -8.864   1.033
  397    HB3  LEU  44           HB3      LEU  44 -23.568  -9.019   2.377
  398    HG   LEU  44           HG       LEU  44 -23.689 -10.443  -0.288
  399   HD11  LEU  44          HD11      LEU  44 -22.253 -11.425   1.472
  400   HD12  LEU  44          HD12      LEU  44 -23.604 -11.369   2.623
  401   HD13  LEU  44          HD13      LEU  44 -23.681 -12.432   1.220
  402   HD21  LEU  44          HD21      LEU  44 -25.832 -10.353   1.874
  403   HD22  LEU  44          HD22      LEU  44 -26.008  -9.838   0.179
  404   HD23  LEU  44          HD23      LEU  44 -25.772 -11.550   0.555
  405    HA   PRO  45           HA       PRO  45 -24.129  -4.074   2.948
  406    HB2  PRO  45           HB2      PRO  45 -23.260  -5.655   5.386
  407    HB3  PRO  45           HB3      PRO  45 -24.176  -4.113   5.323
  408    HG2  PRO  45           HG2      PRO  45 -25.528  -6.426   5.636
  409    HG3  PRO  45           HG3      PRO  45 -26.112  -5.242   4.419
  410    HD2  PRO  45           HD2      PRO  45 -24.474  -7.740   3.982
  411    HD3  PRO  45           HD3      PRO  45 -25.869  -7.117   3.044
  412    H    VAL  46           H        VAL  46 -22.450  -3.024   2.124
  413    HA   VAL  46           HA       VAL  46 -19.727  -4.067   2.282
  414    HB   VAL  46           HB       VAL  46 -20.583  -3.239   0.197
  415   HG11  VAL  46          HG11      VAL  46 -20.665  -0.457   1.418
  416   HG12  VAL  46          HG12      VAL  46 -20.794  -0.844  -0.298
  417   HG13  VAL  46          HG13      VAL  46 -22.033  -1.406   0.829
  418   HG21  VAL  46          HG21      VAL  46 -18.611  -1.938  -0.459
  419   HG22  VAL  46          HG22      VAL  46 -18.202  -1.675   1.240
  420   HG23  VAL  46          HG23      VAL  46 -18.196  -3.316   0.572
  421    H    LEU  47           H        LEU  47 -19.990  -4.039   4.581
  422    HA   LEU  47           HA       LEU  47 -19.716  -1.600   6.142
  423    HB2  LEU  47           HB2      LEU  47 -19.441  -4.571   6.747
  424    HB3  LEU  47           HB3      LEU  47 -19.386  -3.340   8.003
  425    HG   LEU  47           HG       LEU  47 -21.786  -3.630   6.153
  426   HD11  LEU  47          HD11      LEU  47 -21.346  -4.879   8.887
  427   HD12  LEU  47          HD12      LEU  47 -22.867  -4.869   7.955
  428   HD13  LEU  47          HD13      LEU  47 -21.456  -5.742   7.325
  429   HD21  LEU  47          HD21      LEU  47 -21.459  -2.361   8.900
  430   HD22  LEU  47          HD22      LEU  47 -21.625  -1.477   7.365
  431   HD23  LEU  47          HD23      LEU  47 -22.964  -2.461   7.961
  432    H    ASP  48           H        ASP  48 -17.928  -1.973   7.974
  433    HA   ASP  48           HA       ASP  48 -15.469  -1.094   6.881
  434    HB2  ASP  48           HB2      ASP  48 -14.721  -1.143   9.296
  435    HB3  ASP  48           HB3      ASP  48 -16.151  -0.214   8.909
  436    H    LYS  49           H        LYS  49 -13.418  -1.937   8.086
  437    HA   LYS  49           HA       LYS  49 -11.657  -3.302   8.236
  438    HB2  LYS  49           HB2      LYS  49 -13.515  -5.656   7.872
  439    HB3  LYS  49           HB3      LYS  49 -11.831  -5.734   8.342
  440    HG2  LYS  49           HG2      LYS  49 -12.194  -4.940  10.470
  441    HG3  LYS  49           HG3      LYS  49 -13.604  -3.974  10.021
  442    HD2  LYS  49           HD2      LYS  49 -14.966  -6.017   9.763
  443    HD3  LYS  49           HD3      LYS  49 -13.576  -7.006  10.219
  444    HE2  LYS  49           HE2      LYS  49 -15.051  -6.743  12.121
  445    HE3  LYS  49           HE3      LYS  49 -13.519  -5.942  12.452
  446    HZ1  LYS  49           HZ1      LYS  49 -14.537  -3.818  12.239
  447    HZ2  LYS  49           HZ2      LYS  49 -15.808  -4.352  11.384
  448    HZ3  LYS  49           HZ3      LYS  49 -15.689  -4.672  13.003
  449    H    THR  50           H        THR  50 -10.043  -3.940   7.094
  450    HA   THR  50           HA       THR  50 -10.267  -4.718   4.225
  451    HB   THR  50           HB       THR  50  -8.741  -2.986   3.493
  452    HG1  THR  50           HG1      THR  50  -8.036  -1.410   4.946
  453   HG21  THR  50          HG21      THR  50 -11.179  -2.310   3.568
  454   HG22  THR  50          HG22      THR  50 -10.862  -1.560   5.157
  455   HG23  THR  50          HG23      THR  50 -10.038  -0.963   3.705
  456    H    LYS  51           H        LYS  51  -8.375  -4.635   7.202
  457    HA   LYS  51           HA       LYS  51  -6.327  -6.480   6.003
  458    HB2  LYS  51           HB2      LYS  51  -5.876  -4.072   7.826
  459    HB3  LYS  51           HB3      LYS  51  -4.637  -5.257   7.397
  460    HG2  LYS  51           HG2      LYS  51  -4.607  -4.541   5.101
  461    HG3  LYS  51           HG3      LYS  51  -6.066  -3.574   5.301
  462    HD2  LYS  51           HD2      LYS  51  -4.142  -2.114   5.263
  463    HD3  LYS  51           HD3      LYS  51  -4.934  -2.050   6.842
  464    HE2  LYS  51           HE2      LYS  51  -3.181  -3.762   7.666
  465    HE3  LYS  51           HE3      LYS  51  -2.375  -3.549   6.114
  466    HZ1  LYS  51           HZ1      LYS  51  -2.382  -1.041   6.804
  467    HZ2  LYS  51           HZ2      LYS  51  -2.670  -1.576   8.320
  468    HZ3  LYS  51           HZ3      LYS  51  -1.299  -2.045   7.509
  469    H    PHE  52           H        PHE  52  -5.702  -8.150   7.306
  470    HA   PHE  52           HA       PHE  52  -6.401  -8.095  10.220
  471    HB2  PHE  52           HB2      PHE  52  -6.880 -10.497   8.432
  472    HB3  PHE  52           HB3      PHE  52  -7.268 -10.337  10.137
  473    HD1  PHE  52           HD1      PHE  52  -8.780 -10.631   7.111
  474    HD2  PHE  52           HD2      PHE  52  -8.787  -7.962  10.499
  475    HE1  PHE  52           HE1      PHE  52 -11.122  -9.992   6.615
  476    HE2  PHE  52           HE2      PHE  52 -11.117  -7.336  10.003
  477    HZ   PHE  52           HZ       PHE  52 -12.305  -8.349   8.052
  478    H    LEU  53           H        LEU  53  -4.538  -8.423  11.320
  479    HA   LEU  53           HA       LEU  53  -2.346 -10.078  10.123
  480    HB2  LEU  53           HB2      LEU  53  -2.342  -8.319  12.610
  481    HB3  LEU  53           HB3      LEU  53  -0.967  -9.199  11.936
  482    HG   LEU  53           HG       LEU  53  -2.432  -6.847  10.640
  483   HD11  LEU  53          HD11      LEU  53  -0.212  -5.747  10.983
  484   HD12  LEU  53          HD12      LEU  53  -0.997  -6.194  12.506
  485   HD13  LEU  53          HD13      LEU  53   0.330  -7.180  11.888
  486   HD21  LEU  53          HD21      LEU  53  -1.741  -8.217   8.827
  487   HD22  LEU  53          HD22      LEU  53  -0.550  -6.933   8.970
  488   HD23  LEU  53          HD23      LEU  53  -0.162  -8.566   9.585
  489    H    VAL  54           H        VAL  54  -3.243 -12.088  10.297
  490    HA   VAL  54           HA       VAL  54  -4.707 -12.814  12.734
  491    HB   VAL  54           HB       VAL  54  -4.278 -14.642  10.385
  492   HG11  VAL  54          HG11      VAL  54  -5.285 -15.607  12.457
  493   HG12  VAL  54          HG12      VAL  54  -6.550 -14.358  12.424
  494   HG13  VAL  54          HG13      VAL  54  -6.452 -15.559  11.125
  495   HG21  VAL  54          HG21      VAL  54  -5.172 -12.574   9.420
  496   HG22  VAL  54          HG22      VAL  54  -6.436 -13.804   9.488
  497   HG23  VAL  54          HG23      VAL  54  -6.408 -12.494  10.693
  498    HA   PRO  55           HA       PRO  55  -1.203 -15.001  14.578
  499    HB2  PRO  55           HB2      PRO  55  -3.384 -16.439  16.092
  500    HB3  PRO  55           HB3      PRO  55  -1.852 -15.732  16.696
  501    HG2  PRO  55           HG2      PRO  55  -4.204 -14.423  17.050
  502    HG3  PRO  55           HG3      PRO  55  -2.743 -13.513  16.555
  503    HD2  PRO  55           HD2      PRO  55  -5.021 -14.506  14.816
  504    HD3  PRO  55           HD3      PRO  55  -4.218 -12.902  14.837
  505    H    ASP  56           H        ASP  56  -0.144 -16.819  13.963
  506    HA   ASP  56           HA       ASP  56  -0.863 -18.152  11.718
  507    HB2  ASP  56           HB2      ASP  56   0.958 -19.813  12.283
  508    HB3  ASP  56           HB3      ASP  56   1.362 -18.102  12.265
  509    H    HIS  57           H        HIS  57  -1.459 -19.541  14.900
  510    HA   HIS  57           HA       HIS  57  -2.342 -22.097  14.016
  511    HB2  HIS  57           HB2      HIS  57  -1.512 -21.466  16.294
  512    HB3  HIS  57           HB3      HIS  57  -3.004 -20.583  16.585
  513    HD1  HIS  57           HD1      HIS  57  -2.108 -24.271  15.601
  514    HD2  HIS  57           HD2      HIS  57  -4.600 -21.941  18.091
  515    HE1  HIS  57           HE1      HIS  57  -3.488 -25.930  17.017
  516    HE2  HIS  57           HE2      HIS  57  -5.007 -24.503  18.524
  517    H    VAL  58           H        VAL  58  -4.130 -19.132  13.796
  518    HA   VAL  58           HA       VAL  58  -6.781 -20.081  14.394
  519    HB   VAL  58           HB       VAL  58  -5.820 -17.778  12.671
  520   HG11  VAL  58          HG11      VAL  58  -8.646 -18.354  13.656
  521   HG12  VAL  58          HG12      VAL  58  -8.109 -16.812  12.967
  522   HG13  VAL  58          HG13      VAL  58  -8.114 -18.258  11.960
  523   HG21  VAL  58          HG21      VAL  58  -5.249 -17.607  15.090
  524   HG22  VAL  58          HG22      VAL  58  -6.460 -16.406  14.631
  525   HG23  VAL  58          HG23      VAL  58  -6.955 -17.870  15.508
  526    H    ASN  59           H        ASN  59  -8.219 -21.238  13.256
  527    HA   ASN  59           HA       ASN  59  -7.510 -22.481  10.722
  528    HB2  ASN  59           HB2      ASN  59 -10.171 -22.467  12.225
  529    HB3  ASN  59           HB3      ASN  59  -9.661 -23.630  11.013
  530   HD21  ASN  59          HD21      ASN  59  -7.767 -25.549  13.347
  531   HD22  ASN  59          HD22      ASN  59  -8.108 -25.265  11.635
  532    H    MET  60           H        MET  60  -8.556 -22.175   8.640
  533    HA   MET  60           HA       MET  60  -9.594 -19.621   7.953
  534    HB2  MET  60           HB2      MET  60  -9.780 -22.358   6.676
  535    HB3  MET  60           HB3      MET  60 -10.828 -21.080   6.070
  536    HG2  MET  60           HG2      MET  60  -7.816 -21.078   6.164
  537    HG3  MET  60           HG3      MET  60  -8.858 -21.169   4.733
  538    HE1  MET  60           HE1      MET  60 -11.059 -18.768   5.631
  539    HE2  MET  60           HE2      MET  60 -10.353 -17.413   4.740
  540    HE3  MET  60           HE3      MET  60 -10.469 -19.010   3.969
  541    H    SER  61           H        SER  61 -11.481 -22.549   8.839
  542    HA   SER  61           HA       SER  61 -14.059 -21.480   8.774
  543    HB2  SER  61           HB2      SER  61 -14.557 -23.217  10.501
  544    HB3  SER  61           HB3      SER  61 -13.642 -23.825   9.109
  545    HG   SER  61           HG       SER  61 -12.827 -24.472  11.252
  546    H    GLU  62           H        GLU  62 -11.643 -21.110  11.374
  547    HA   GLU  62           HA       GLU  62 -13.454 -19.756  13.196
  548    HB2  GLU  62           HB2      GLU  62 -11.511 -21.014  13.993
  549    HB3  GLU  62           HB3      GLU  62 -10.427 -19.954  13.111
  550    HG2  GLU  62           HG2      GLU  62 -10.342 -19.379  15.409
  551    HG3  GLU  62           HG3      GLU  62 -11.073 -18.045  14.529
  552    H    LEU  63           H        LEU  63 -10.889 -18.543  10.975
  553    HA   LEU  63           HA       LEU  63 -11.320 -15.725  11.373
  554    HB2  LEU  63           HB2      LEU  63  -9.361 -16.666  10.228
  555    HB3  LEU  63           HB3      LEU  63 -10.386 -17.383   8.987
  556    HG   LEU  63           HG       LEU  63 -11.021 -15.098   8.196
  557   HD11  LEU  63          HD11      LEU  63  -8.890 -14.223  10.200
  558   HD12  LEU  63          HD12      LEU  63  -9.565 -13.192   8.920
  559   HD13  LEU  63          HD13      LEU  63 -10.616 -13.779  10.221
  560   HD21  LEU  63          HD21      LEU  63  -8.024 -15.635   8.252
  561   HD22  LEU  63          HD22      LEU  63  -9.198 -16.360   7.128
  562   HD23  LEU  63          HD23      LEU  63  -8.907 -14.619   7.071
  563    H    ILE  64           H        ILE  64 -12.883 -18.030   9.132
  564    HA   ILE  64           HA       ILE  64 -14.758 -16.233   7.920
  565    HB   ILE  64           HB       ILE  64 -14.618 -19.206   8.392
  566   HG12  ILE  64          HG12      ILE  64 -14.855 -17.712   5.779
  567   HG13  ILE  64          HG13      ILE  64 -13.304 -17.878   6.607
  568   HG21  ILE  64          HG21      ILE  64 -16.682 -19.548   7.028
  569   HG22  ILE  64          HG22      ILE  64 -17.025 -18.820   8.582
  570   HG23  ILE  64          HG23      ILE  64 -17.001 -17.803   7.114
  571   HD11  ILE  64          HD11      ILE  64 -15.015 -20.203   5.676
  572   HD12  ILE  64          HD12      ILE  64 -13.562 -19.585   4.877
  573   HD13  ILE  64          HD13      ILE  64 -13.449 -20.328   6.482
  574    H    LYS  65           H        LYS  65 -15.115 -18.235  10.902
  575    HA   LYS  65           HA       LYS  65 -17.791 -17.460  11.420
  576    HB2  LYS  65           HB2      LYS  65 -16.561 -19.410  12.390
  577    HB3  LYS  65           HB3      LYS  65 -15.664 -18.303  13.442
  578    HG2  LYS  65           HG2      LYS  65 -17.811 -17.571  14.470
  579    HG3  LYS  65           HG3      LYS  65 -18.686 -18.662  13.377
  580    HD2  LYS  65           HD2      LYS  65 -17.508 -20.610  14.372
  581    HD3  LYS  65           HD3      LYS  65 -16.601 -19.519  15.444
  582    HE2  LYS  65           HE2      LYS  65 -18.742 -18.746  16.462
  583    HE3  LYS  65           HE3      LYS  65 -19.642 -19.839  15.408
  584    HZ1  LYS  65           HZ1      LYS  65 -18.488 -21.720  16.476
  585    HZ2  LYS  65           HZ2      LYS  65 -17.647 -20.709  17.449
  586    HZ3  LYS  65           HZ3      LYS  65 -19.266 -20.832  17.601
  587    H    ILE  66           H        ILE  66 -14.785 -15.944  12.721
  588    HA   ILE  66           HA       ILE  66 -16.249 -13.912  14.169
  589    HB   ILE  66           HB       ILE  66 -14.046 -14.405  14.833
  590   HG12  ILE  66          HG12      ILE  66 -14.929 -12.051  15.140
  591   HG13  ILE  66          HG13      ILE  66 -13.216 -12.333  15.357
  592   HG21  ILE  66          HG21      ILE  66 -12.011 -13.721  13.599
  593   HG22  ILE  66          HG22      ILE  66 -12.893 -15.023  12.823
  594   HG23  ILE  66          HG23      ILE  66 -12.998 -13.394  12.156
  595   HD11  ILE  66          HD11      ILE  66 -14.463 -10.937  12.955
  596   HD12  ILE  66          HD12      ILE  66 -13.497 -10.216  14.248
  597   HD13  ILE  66          HD13      ILE  66 -12.751 -11.341  13.115
  598    H    ILE  67           H        ILE  67 -14.846 -13.817  10.824
  599    HA   ILE  67           HA       ILE  67 -15.727 -11.139  10.310
  600    HB   ILE  67           HB       ILE  67 -15.028 -13.462   8.493
  601   HG12  ILE  67          HG12      ILE  67 -13.624 -10.789   9.020
  602   HG13  ILE  67          HG13      ILE  67 -13.293 -12.246   9.950
  603   HG21  ILE  67          HG21      ILE  67 -16.601 -12.087   7.186
  604   HG22  ILE  67          HG22      ILE  67 -15.729 -10.607   7.647
  605   HG23  ILE  67          HG23      ILE  67 -14.978 -11.821   6.593
  606   HD11  ILE  67          HD11      ILE  67 -12.768 -11.888   6.984
  607   HD12  ILE  67          HD12      ILE  67 -11.593 -12.050   8.300
  608   HD13  ILE  67          HD13      ILE  67 -12.623 -13.429   7.861
  609    H    ARG  68           H        ARG  68 -17.400 -14.246   9.642
  610    HA   ARG  68           HA       ARG  68 -19.726 -13.188   8.434
  611    HB2  ARG  68           HB2      ARG  68 -19.112 -15.558   8.442
  612    HB3  ARG  68           HB3      ARG  68 -19.391 -15.663  10.186
  613    HG2  ARG  68           HG2      ARG  68 -21.786 -15.242   9.878
  614    HG3  ARG  68           HG3      ARG  68 -21.535 -14.922   8.155
  615    HD2  ARG  68           HD2      ARG  68 -22.479 -17.133   8.432
  616    HD3  ARG  68           HD3      ARG  68 -20.836 -17.263   7.816
  617    HE   ARG  68           HE       ARG  68 -20.149 -18.311   9.758
  618   HH11  ARG  68          HH11      ARG  68 -23.405 -17.138  10.359
  619   HH12  ARG  68          HH12      ARG  68 -23.626 -18.185  11.726
  620   HH21  ARG  68          HH21      ARG  68 -20.531 -19.662  11.495
  621   HH22  ARG  68          HH22      ARG  68 -22.031 -19.555  12.359
  622    H    ARG  69           H        ARG  69 -19.024 -13.554  11.911
  623    HA   ARG  69           HA       ARG  69 -21.689 -12.559  12.672
  624    HB2  ARG  69           HB2      ARG  69 -20.513 -14.359  13.871
  625    HB3  ARG  69           HB3      ARG  69 -19.263 -13.218  14.394
  626    HG2  ARG  69           HG2      ARG  69 -20.822 -11.993  15.759
  627    HG3  ARG  69           HG3      ARG  69 -22.221 -12.758  14.990
  628    HD2  ARG  69           HD2      ARG  69 -21.584 -14.948  15.933
  629    HD3  ARG  69           HD3      ARG  69 -20.147 -14.234  16.662
  630    HE   ARG  69           HE       ARG  69 -21.419 -13.190  18.313
  631   HH11  ARG  69          HH11      ARG  69 -23.655 -14.770  16.113
  632   HH12  ARG  69          HH12      ARG  69 -24.981 -14.637  17.234
  633   HH21  ARG  69          HH21      ARG  69 -23.149 -13.055  19.677
  634   HH22  ARG  69          HH22      ARG  69 -24.696 -13.692  19.194
  635    H    ARG  70           H        ARG  70 -18.472 -11.104  12.417
  636    HA   ARG  70           HA       ARG  70 -19.232  -8.530  13.601
  637    HB2  ARG  70           HB2      ARG  70 -16.924  -9.587  11.964
  638    HB3  ARG  70           HB3      ARG  70 -17.217  -7.862  11.920
  639    HG2  ARG  70           HG2      ARG  70 -15.556  -8.509  13.628
  640    HG3  ARG  70           HG3      ARG  70 -16.918  -7.597  14.276
  641    HD2  ARG  70           HD2      ARG  70 -17.886  -9.574  15.258
  642    HD3  ARG  70           HD3      ARG  70 -16.695 -10.623  14.466
  643    HE   ARG  70           HE       ARG  70 -15.153  -8.805  15.921
  644   HH11  ARG  70          HH11      ARG  70 -17.604 -11.129  16.940
  645   HH12  ARG  70          HH12      ARG  70 -16.861 -11.291  18.508
  646   HH21  ARG  70          HH21      ARG  70 -14.352  -9.015  17.764
  647   HH22  ARG  70          HH22      ARG  70 -15.018 -10.076  19.020
  648    H    LEU  71           H        LEU  71 -19.331  -9.796  10.281
  649    HA   LEU  71           HA       LEU  71 -20.570  -7.395   9.179
  650    HB2  LEU  71           HB2      LEU  71 -20.453 -10.274   8.204
  651    HB3  LEU  71           HB3      LEU  71 -21.111  -8.943   7.257
  652    HG   LEU  71           HG       LEU  71 -18.205  -9.099   8.195
  653   HD11  LEU  71          HD11      LEU  71 -18.739 -10.905   6.622
  654   HD12  LEU  71          HD12      LEU  71 -19.467  -9.735   5.502
  655   HD13  LEU  71          HD13      LEU  71 -17.720  -9.680   5.839
  656   HD21  LEU  71          HD21      LEU  71 -18.886  -6.788   7.771
  657   HD22  LEU  71          HD22      LEU  71 -17.823  -7.357   6.489
  658   HD23  LEU  71          HD23      LEU  71 -19.575  -7.256   6.191
  659    H    GLN  72           H        GLN  72 -22.783  -7.109   8.593
  660    HA   GLN  72           HA       GLN  72 -24.685  -8.166  10.508
  661    HB2  GLN  72           HB2      GLN  72 -24.935  -6.202   8.220
  662    HB3  GLN  72           HB3      GLN  72 -26.283  -6.670   9.266
  663    HG2  GLN  72           HG2      GLN  72 -25.114  -5.849  11.254
  664    HG3  GLN  72           HG3      GLN  72 -23.679  -5.466  10.322
  665   HE21  GLN  72          HE21      GLN  72 -25.404  -2.242  10.755
  666   HE22  GLN  72          HE22      GLN  72 -24.525  -3.392  11.749
  667    H    LEU  73           H        LEU  73 -24.684 -10.392  10.013
  668    HA   LEU  73           HA       LEU  73 -26.262 -11.214   7.613
  669    HB2  LEU  73           HB2      LEU  73 -23.738 -12.515   8.699
  670    HB3  LEU  73           HB3      LEU  73 -24.699 -13.141   7.365
  671    HG   LEU  73           HG       LEU  73 -23.229 -10.457   7.294
  672   HD11  LEU  73          HD11      LEU  73 -21.647 -12.299   7.496
  673   HD12  LEU  73          HD12      LEU  73 -22.446 -13.171   6.179
  674   HD13  LEU  73          HD13      LEU  73 -21.601 -11.628   5.861
  675   HD21  LEU  73          HD21      LEU  73 -25.132 -10.622   5.689
  676   HD22  LEU  73          HD22      LEU  73 -23.568 -10.594   4.877
  677   HD23  LEU  73          HD23      LEU  73 -24.446 -12.139   5.054
  678    H    ASN  74           H        ASN  74 -27.285 -13.230   7.743
  679    HA   ASN  74           HA       ASN  74 -27.647 -14.534  10.377
  680    HB2  ASN  74           HB2      ASN  74 -29.893 -13.390   8.648
  681    HB3  ASN  74           HB3      ASN  74 -30.158 -14.560   9.936
  682   HD21  ASN  74          HD21      ASN  74 -29.991 -10.715  10.964
  683   HD22  ASN  74          HD22      ASN  74 -30.107 -11.248   9.291
  684    H    ALA  75           H        ALA  75 -28.809 -16.668  10.102
  685    HA   ALA  75           HA       ALA  75 -27.333 -18.315   8.435
  686    HB1  ALA  75           HB1      ALA  75 -30.108 -18.795   9.609
  687    HB2  ALA  75           HB2      ALA  75 -28.966 -20.054   9.092
  688    HB3  ALA  75           HB3      ALA  75 -28.558 -19.007  10.466
  689    H    ASN  76           H        ASN  76 -30.453 -16.837   7.637
  690    HA   ASN  76           HA       ASN  76 -30.966 -18.398   5.252
  691    HB2  ASN  76           HB2      ASN  76 -32.697 -17.323   6.674
  692    HB3  ASN  76           HB3      ASN  76 -32.059 -15.728   6.258
  693   HD21  ASN  76          HD21      ASN  76 -34.201 -15.568   3.473
  694   HD22  ASN  76          HD22      ASN  76 -33.327 -14.736   4.754
  695    H    GLN  77           H        GLN  77 -28.865 -15.643   5.804
  696    HA   GLN  77           HA       GLN  77 -29.086 -14.610   3.069
  697    HB2  GLN  77           HB2      GLN  77 -28.818 -13.126   5.052
  698    HB3  GLN  77           HB3      GLN  77 -27.227 -13.836   5.354
  699    HG2  GLN  77           HG2      GLN  77 -27.058 -11.648   4.248
  700    HG3  GLN  77           HG3      GLN  77 -26.377 -12.926   3.237
  701   HE21  GLN  77          HE21      GLN  77 -29.842 -11.028   2.011
  702   HE22  GLN  77          HE22      GLN  77 -29.276 -10.807   3.659
  703    H    ALA  78           H        ALA  78 -27.737 -15.077   1.368
  704    HA   ALA  78           HA       ALA  78 -25.903 -17.340   1.658
  705    HB1  ALA  78           HB1      ALA  78 -25.765 -17.175  -0.788
  706    HB2  ALA  78           HB2      ALA  78 -27.452 -17.185  -0.229
  707    HB3  ALA  78           HB3      ALA  78 -26.698 -15.661  -0.759
  708    H    PHE  79           H        PHE  79 -24.074 -16.824   2.711
  709    HA   PHE  79           HA       PHE  79 -22.390 -14.589   1.727
  710    HB2  PHE  79           HB2      PHE  79 -22.945 -13.910   3.803
  711    HB3  PHE  79           HB3      PHE  79 -22.923 -15.524   4.484
  712    HD1  PHE  79           HD1      PHE  79 -20.777 -12.679   3.483
  713    HD2  PHE  79           HD2      PHE  79 -20.882 -16.589   5.288
  714    HE1  PHE  79           HE1      PHE  79 -18.471 -12.337   4.360
  715    HE2  PHE  79           HE2      PHE  79 -18.576 -16.256   6.138
  716    HZ   PHE  79           HZ       PHE  79 -17.373 -14.122   5.694
  717    H    PHE  80           H        PHE  80 -20.289 -14.661   1.275
  718    HA   PHE  80           HA       PHE  80 -18.837 -17.177   1.723
  719    HB2  PHE  80           HB2      PHE  80 -19.307 -15.967  -0.993
  720    HB3  PHE  80           HB3      PHE  80 -17.903 -16.950  -0.644
  721    HD1  PHE  80           HD1      PHE  80 -21.560 -17.015  -1.080
  722    HD2  PHE  80           HD2      PHE  80 -18.034 -19.365  -0.278
  723    HE1  PHE  80           HE1      PHE  80 -22.796 -19.066  -1.713
  724    HE2  PHE  80           HE2      PHE  80 -19.294 -21.429  -0.869
  725    HZ   PHE  80           HZ       PHE  80 -21.660 -21.284  -1.600
  726    H    LEU  81           H        LEU  81 -16.728 -17.110   2.145
  727    HA   LEU  81           HA       LEU  81 -15.248 -14.558   1.641
  728    HB2  LEU  81           HB2      LEU  81 -15.534 -14.690   4.002
  729    HB3  LEU  81           HB3      LEU  81 -15.130 -16.400   4.033
  730    HG   LEU  81           HG       LEU  81 -12.790 -15.966   3.597
  731   HD11  LEU  81          HD11      LEU  81 -13.683 -13.067   3.214
  732   HD12  LEU  81          HD12      LEU  81 -11.990 -13.535   3.478
  733   HD13  LEU  81          HD13      LEU  81 -12.836 -14.087   2.029
  734   HD21  LEU  81          HD21      LEU  81 -12.174 -14.658   5.549
  735   HD22  LEU  81          HD22      LEU  81 -13.811 -13.940   5.622
  736   HD23  LEU  81          HD23      LEU  81 -13.572 -15.669   5.927
  737    H    LEU  82           H        LEU  82 -14.029 -14.862  -0.034
  738    HA   LEU  82           HA       LEU  82 -13.216 -17.607  -0.838
  739    HB2  LEU  82           HB2      LEU  82 -13.282 -15.047  -2.458
  740    HB3  LEU  82           HB3      LEU  82 -13.142 -16.687  -3.067
  741    HG   LEU  82           HG       LEU  82 -15.620 -15.422  -1.803
  742   HD11  LEU  82          HD11      LEU  82 -15.012 -16.358  -4.644
  743   HD12  LEU  82          HD12      LEU  82 -16.561 -15.718  -4.075
  744   HD13  LEU  82          HD13      LEU  82 -15.131 -14.669  -4.110
  745   HD21  LEU  82          HD21      LEU  82 -15.184 -18.211  -2.943
  746   HD22  LEU  82          HD22      LEU  82 -15.583 -17.809  -1.248
  747   HD23  LEU  82          HD23      LEU  82 -16.755 -17.527  -2.541
  748    H    VAL  83           H        VAL  83 -11.169 -18.200  -1.221
  749    HA   VAL  83           HA       VAL  83  -8.980 -16.177  -0.879
  750    HB   VAL  83           HB       VAL  83  -8.750 -19.171  -0.443
  751   HG11  VAL  83          HG11      VAL  83  -6.786 -16.871  -0.007
  752   HG12  VAL  83          HG12      VAL  83  -6.524 -18.557   0.486
  753   HG13  VAL  83          HG13      VAL  83  -6.644 -18.159  -1.233
  754   HG21  VAL  83          HG21      VAL  83  -8.408 -18.535   1.954
  755   HG22  VAL  83          HG22      VAL  83  -8.838 -16.861   1.547
  756   HG23  VAL  83          HG23      VAL  83 -10.041 -18.146   1.395
  757    H    ASN  84           H        ASN  84  -7.705 -15.823  -2.606
  758    HA   ASN  84           HA       ASN  84  -7.319 -15.500  -4.776
  759    HB2  ASN  84           HB2      ASN  84  -6.360 -17.257  -6.028
  760    HB3  ASN  84           HB3      ASN  84  -5.962 -17.527  -4.344
  761   HD21  ASN  84          HD21      ASN  84  -6.860 -20.893  -4.899
  762   HD22  ASN  84          HD22      ASN  84  -5.625 -19.752  -4.373
  763    H    GLY  85           H        GLY  85 -10.222 -15.740  -4.033
  764    HA2  GLY  85           HA2      GLY  85 -12.181 -15.291  -5.212
  765    HA3  GLY  85           HA3      GLY  85 -11.399 -15.726  -6.729
  766    H    HIS  86           H        HIS  86 -10.991 -18.239  -4.389
  767    HA   HIS  86           HA       HIS  86 -13.519 -19.625  -5.222
  768    HB2  HIS  86           HB2      HIS  86 -10.757 -20.843  -4.847
  769    HB3  HIS  86           HB3      HIS  86 -12.233 -21.755  -5.154
  770    HD1  HIS  86           HD1      HIS  86  -9.650 -19.624  -6.943
  771    HD2  HIS  86           HD2      HIS  86 -13.395 -21.464  -7.644
  772    HE1  HIS  86           HE1      HIS  86 -10.046 -19.543  -9.504
  773    HE2  HIS  86           HE2      HIS  86 -12.329 -20.668  -9.911
  774    H    SER  87           H        SER  87 -14.438 -21.109  -3.706
  775    HA   SER  87           HA       SER  87 -14.615 -19.854  -1.154
  776    HB2  SER  87           HB2      SER  87 -16.551 -20.835  -2.204
  777    HB3  SER  87           HB3      SER  87 -15.815 -22.452  -2.116
  778    HG   SER  87           HG       SER  87 -17.162 -22.232  -0.355
  779    H    MET  88           H        MET  88 -14.042 -20.310   0.831
  780    HA   MET  88           HA       MET  88 -12.687 -22.884   1.514
  781    HB2  MET  88           HB2      MET  88 -12.001 -20.108   2.554
  782    HB3  MET  88           HB3      MET  88 -11.334 -21.606   3.208
  783    HG2  MET  88           HG2      MET  88 -10.940 -20.642   0.354
  784    HG3  MET  88           HG3      MET  88  -9.801 -20.457   1.688
  785    HE1  MET  88           HE1      MET  88  -7.834 -21.474   0.264
  786    HE2  MET  88           HE2      MET  88  -7.951 -23.033  -0.582
  787    HE3  MET  88           HE3      MET  88  -8.962 -21.665  -1.104
  788    H    VAL  89           H        VAL  89 -15.574 -21.837   1.654
  789    HA   VAL  89           HA       VAL  89 -16.282 -20.925   4.138
  790    HB   VAL  89           HB       VAL  89 -17.633 -21.073   2.018
  791   HG11  VAL  89          HG11      VAL  89 -17.689 -23.575   1.825
  792   HG12  VAL  89          HG12      VAL  89 -18.706 -23.634   3.283
  793   HG13  VAL  89          HG13      VAL  89 -19.289 -22.824   1.817
  794   HG21  VAL  89          HG21      VAL  89 -19.084 -21.547   4.641
  795   HG22  VAL  89          HG22      VAL  89 -18.425 -19.996   4.075
  796   HG23  VAL  89          HG23      VAL  89 -19.733 -20.782   3.177
  797    H    SER  90           H        SER  90 -15.764 -24.347   3.500
  798    HA   SER  90           HA       SER  90 -16.479 -25.005   6.326
  799    HB2  SER  90           HB2      SER  90 -16.836 -27.290   5.472
  800    HB3  SER  90           HB3      SER  90 -17.852 -26.102   4.641
  801    HG   SER  90           HG       SER  90 -16.825 -27.565   3.173
  802    H    VAL  91           H        VAL  91 -13.732 -24.156   4.892
  803    HA   VAL  91           HA       VAL  91 -12.096 -26.563   5.226
  804    HB   VAL  91           HB       VAL  91 -11.446 -23.735   4.343
  805   HG11  VAL  91          HG11      VAL  91  -9.324 -24.681   3.473
  806   HG12  VAL  91          HG12      VAL  91  -9.389 -24.663   5.232
  807   HG13  VAL  91          HG13      VAL  91  -9.655 -26.192   4.344
  808   HG21  VAL  91          HG21      VAL  91 -11.735 -26.373   2.830
  809   HG22  VAL  91          HG22      VAL  91 -12.885 -25.019   2.774
  810   HG23  VAL  91          HG23      VAL  91 -11.260 -24.831   2.111
  811    H    SER  92           H        SER  92 -10.988 -27.173   6.951
  812    HA   SER  92           HA       SER  92 -10.873 -25.524   9.365
  813    HB2  SER  92           HB2      SER  92 -10.029 -27.600  10.383
  814    HB3  SER  92           HB3      SER  92 -11.534 -27.858   9.480
  815    HG   SER  92           HG       SER  92  -9.936 -29.476   9.025
  816    H    THR  93           H        THR  93  -8.652 -26.035   6.765
  817    HA   THR  93           HA       THR  93  -6.237 -26.282   7.865
  818    HB   THR  93           HB       THR  93  -6.604 -24.354   5.596
  819    HG1  THR  93           HG1      THR  93  -6.735 -26.249   4.300
  820   HG21  THR  93          HG21      THR  93  -4.272 -24.731   6.252
  821   HG22  THR  93          HG22      THR  93  -4.506 -26.493   6.178
  822   HG23  THR  93          HG23      THR  93  -4.597 -25.508   4.701
  823    HA   PRO  94           HA       PRO  94  -5.163 -22.694  10.339
  824    HB2  PRO  94           HB2      PRO  94  -2.346 -23.512   9.630
  825    HB3  PRO  94           HB3      PRO  94  -3.022 -23.047  11.222
  826    HG2  PRO  94           HG2      PRO  94  -2.625 -25.658  10.638
  827    HG3  PRO  94           HG3      PRO  94  -4.152 -25.151  11.438
  828    HD2  PRO  94           HD2      PRO  94  -3.670 -25.714   8.501
  829    HD3  PRO  94           HD3      PRO  94  -5.003 -26.270   9.559
  830    H    ILE  95           H        ILE  95  -4.718 -20.570   9.938
  831    HA   ILE  95           HA       ILE  95  -4.716 -19.660   7.277
  832    HB   ILE  95           HB       ILE  95  -5.712 -18.494   9.202
  833   HG12  ILE  95          HG12      ILE  95  -5.125 -16.179   8.672
  834   HG13  ILE  95          HG13      ILE  95  -3.690 -16.699   7.789
  835   HG21  ILE  95          HG21      ILE  95  -2.870 -17.659   9.982
  836   HG22  ILE  95          HG22      ILE  95  -4.377 -17.141  10.745
  837   HG23  ILE  95          HG23      ILE  95  -3.877 -18.816  10.870
  838   HD11  ILE  95          HD11      ILE  95  -5.098 -17.791   6.093
  839   HD12  ILE  95          HD12      ILE  95  -6.553 -17.475   7.071
  840   HD13  ILE  95          HD13      ILE  95  -5.657 -16.131   6.349
  841    H    SER  96           H        SER  96  -1.937 -20.284   9.366
  842    HA   SER  96           HA       SER  96   0.071 -18.930   7.806
  843    HB2  SER  96           HB2      SER  96   1.604 -20.533   8.959
  844    HB3  SER  96           HB3      SER  96   0.515 -19.663  10.059
  845    HG   SER  96           HG       SER  96   0.633 -21.983  10.459
  846    H    GLU  97           H        GLU  97  -1.104 -22.330   7.707
  847    HA   GLU  97           HA       GLU  97   0.554 -23.101   5.488
  848    HB2  GLU  97           HB2      GLU  97  -2.045 -24.306   6.520
  849    HB3  GLU  97           HB3      GLU  97  -0.975 -25.043   5.317
  850    HG2  GLU  97           HG2      GLU  97   0.894 -24.920   7.025
  851    HG3  GLU  97           HG3      GLU  97  -0.304 -24.422   8.223
  852    H    VAL  98           H        VAL  98  -2.761 -21.779   5.608
  853    HA   VAL  98           HA       VAL  98  -3.186 -21.823   2.737
  854    HB   VAL  98           HB       VAL  98  -4.362 -19.955   4.832
  855   HG11  VAL  98          HG11      VAL  98  -6.162 -19.564   3.197
  856   HG12  VAL  98          HG12      VAL  98  -4.619 -19.002   2.556
  857   HG13  VAL  98          HG13      VAL  98  -5.300 -20.545   1.987
  858   HG21  VAL  98          HG21      VAL  98  -5.375 -22.553   3.595
  859   HG22  VAL  98          HG22      VAL  98  -4.961 -22.277   5.304
  860   HG23  VAL  98          HG23      VAL  98  -6.349 -21.461   4.589
  861    H    TYR  99           H        TYR  99  -1.757 -19.315   4.913
  862    HA   TYR  99           HA       TYR  99  -1.062 -17.530   2.839
  863    HB2  TYR  99           HB2      TYR  99  -1.000 -16.550   4.850
  864    HB3  TYR  99           HB3      TYR  99  -0.189 -17.887   5.642
  865    HD1  TYR  99           HD1      TYR  99   0.327 -14.768   3.777
  866    HD2  TYR  99           HD2      TYR  99   2.229 -18.220   5.535
  867    HE1  TYR  99           HE1      TYR  99   2.534 -13.607   3.708
  868    HE2  TYR  99           HE2      TYR  99   4.428 -17.070   5.435
  869    HH   TYR  99           HH       TYR  99   5.551 -15.121   4.896
  870    H    GLU 100           H        GLU 100   0.946 -20.246   4.006
  871    HA   GLU 100           HA       GLU 100   3.064 -19.731   2.120
  872    HB2  GLU 100           HB2      GLU 100   2.160 -22.314   3.447
  873    HB3  GLU 100           HB3      GLU 100   3.628 -22.163   2.497
  874    HG2  GLU 100           HG2      GLU 100   3.038 -20.628   5.061
  875    HG3  GLU 100           HG3      GLU 100   4.011 -22.086   4.941
  876    H    SER 101           H        SER 101   0.011 -21.501   1.762
  877    HA   SER 101           HA       SER 101   0.654 -22.614  -0.855
  878    HB2  SER 101           HB2      SER 101  -2.004 -22.312   0.601
  879    HB3  SER 101           HB3      SER 101  -1.734 -23.264  -0.869
  880    HG   SER 101           HG       SER 101  -0.686 -23.697   1.735
  881    H    GLU 102           H        GLU 102  -0.985 -19.673   0.202
  882    HA   GLU 102           HA       GLU 102  -1.672 -18.901  -2.620
  883    HB2  GLU 102           HB2      GLU 102  -3.202 -18.393  -0.046
  884    HB3  GLU 102           HB3      GLU 102  -3.703 -17.880  -1.653
  885    HG2  GLU 102           HG2      GLU 102  -3.422 -20.762  -0.672
  886    HG3  GLU 102           HG3      GLU 102  -4.916 -19.866  -0.851
  887    H    LYS 103           H        LYS 103   0.786 -18.226  -1.168
  888    HA   LYS 103           HA       LYS 103   0.842 -15.514  -0.339
  889    HB2  LYS 103           HB2      LYS 103   2.519 -17.479  -0.087
  890    HB3  LYS 103           HB3      LYS 103   3.072 -17.085  -1.702
  891    HG2  LYS 103           HG2      LYS 103   3.666 -14.805  -0.948
  892    HG3  LYS 103           HG3      LYS 103   3.064 -15.173   0.679
  893    HD2  LYS 103           HD2      LYS 103   5.294 -16.683  -0.744
  894    HD3  LYS 103           HD3      LYS 103   5.571 -15.381   0.432
  895    HE2  LYS 103           HE2      LYS 103   4.427 -16.712   2.189
  896    HE3  LYS 103           HE3      LYS 103   4.104 -17.996   1.016
  897    HZ1  LYS 103           HZ1      LYS 103   6.562 -18.221   0.746
  898    HZ2  LYS 103           HZ2      LYS 103   6.786 -17.190   2.006
  899    HZ3  LYS 103           HZ3      LYS 103   6.011 -18.630   2.226
  900    H    ASP 104           H        ASP 104   0.480 -13.704  -1.521
  901    HA   ASP 104           HA       ASP 104   0.654 -13.723  -4.451
  902    HB2  ASP 104           HB2      ASP 104  -1.125 -12.565  -3.202
  903    HB3  ASP 104           HB3      ASP 104   0.080 -11.463  -2.510
  904    H    GLU 105           H        GLU 105   1.788 -11.755  -5.439
  905    HA   GLU 105           HA       GLU 105   4.320 -12.306  -5.910
  906    HB2  GLU 105           HB2      GLU 105   2.917 -10.691  -7.137
  907    HB3  GLU 105           HB3      GLU 105   3.095  -9.519  -5.838
  908    HG2  GLU 105           HG2      GLU 105   4.497  -8.848  -7.633
  909    HG3  GLU 105           HG3      GLU 105   5.519  -9.329  -6.295
  910    H    ASP 106           H        ASP 106   3.589  -9.970  -3.290
  911    HA   ASP 106           HA       ASP 106   6.419 -10.115  -2.482
  912    HB2  ASP 106           HB2      ASP 106   4.746  -7.683  -2.745
  913    HB3  ASP 106           HB3      ASP 106   6.063  -7.722  -1.578
  914    H    GLY 107           H        GLY 107   4.297 -11.819  -1.487
  915    HA2  GLY 107           HA2      GLY 107   4.537 -13.094   0.449
  916    HA3  GLY 107           HA3      GLY 107   5.471 -11.816   1.208
  917    H    PHE 108           H        PHE 108   2.127 -11.674  -0.088
  918    HA   PHE 108           HA       PHE 108   1.008 -11.870   2.570
  919    HB2  PHE 108           HB2      PHE 108  -0.449  -9.777   2.265
  920    HB3  PHE 108           HB3      PHE 108   1.162  -9.710   2.926
  921    HD1  PHE 108           HD1      PHE 108  -0.999  -8.390   0.366
  922    HD2  PHE 108           HD2      PHE 108   3.128  -8.948   1.470
  923    HE1  PHE 108           HE1      PHE 108  -0.319  -6.584  -1.198
  924    HE2  PHE 108           HE2      PHE 108   3.798  -7.188  -0.102
  925    HZ   PHE 108           HZ       PHE 108   2.079  -5.983  -1.449
  926    H    LEU 109           H        LEU 109  -1.333 -12.022   2.818
  927    HA   LEU 109           HA       LEU 109  -2.243 -13.851   0.641
  928    HB2  LEU 109           HB2      LEU 109  -1.821 -14.908   2.761
  929    HB3  LEU 109           HB3      LEU 109  -2.811 -13.727   3.618
  930    HG   LEU 109           HG       LEU 109  -4.852 -14.590   2.512
  931   HD11  LEU 109          HD11      LEU 109  -2.916 -16.550   1.220
  932   HD12  LEU 109          HD12      LEU 109  -4.678 -16.766   1.265
  933   HD13  LEU 109          HD13      LEU 109  -3.983 -15.406   0.376
  934   HD21  LEU 109          HD21      LEU 109  -3.167 -16.832   3.709
  935   HD22  LEU 109          HD22      LEU 109  -4.029 -15.602   4.648
  936   HD23  LEU 109          HD23      LEU 109  -4.937 -16.749   3.650
  937    H    TYR 110           H        TYR 110  -3.690 -13.009  -0.735
  938    HA   TYR 110           HA       TYR 110  -5.666 -11.061   0.212
  939    HB2  TYR 110           HB2      TYR 110  -4.870 -11.934  -2.527
  940    HB3  TYR 110           HB3      TYR 110  -6.410 -11.141  -2.255
  941    HD1  TYR 110           HD1      TYR 110  -6.587  -8.788  -1.728
  942    HD2  TYR 110           HD2      TYR 110  -2.730 -10.712  -1.999
  943    HE1  TYR 110           HE1      TYR 110  -5.476  -6.562  -1.767
  944    HE2  TYR 110           HE2      TYR 110  -1.631  -8.483  -2.059
  945    HH   TYR 110           HH       TYR 110  -3.475  -5.421  -1.910
  946    H    MET 111           H        MET 111  -7.784 -11.187   0.457
  947    HA   MET 111           HA       MET 111  -9.198 -13.644  -0.448
  948    HB2  MET 111           HB2      MET 111  -9.798 -12.274   2.199
  949    HB3  MET 111           HB3      MET 111 -10.477 -13.771   1.550
  950    HG2  MET 111           HG2      MET 111  -8.124 -14.746   1.692
  951    HG3  MET 111           HG3      MET 111  -7.701 -13.327   2.659
  952    HE1  MET 111           HE1      MET 111  -7.825 -16.263   5.221
  953    HE2  MET 111           HE2      MET 111  -7.534 -16.553   3.493
  954    HE3  MET 111           HE3      MET 111  -6.804 -15.146   4.296
  955    H    VAL 112           H        VAL 112 -11.403 -13.314  -1.045
  956    HA   VAL 112           HA       VAL 112 -12.322 -10.511  -0.916
  957    HB   VAL 112           HB       VAL 112 -13.262 -10.311  -2.963
  958   HG11  VAL 112          HG11      VAL 112 -10.783 -10.116  -2.985
  959   HG12  VAL 112          HG12      VAL 112 -10.670 -11.812  -3.517
  960   HG13  VAL 112          HG13      VAL 112 -11.454 -10.604  -4.548
  961   HG21  VAL 112          HG21      VAL 112 -13.445 -12.019  -4.680
  962   HG22  VAL 112          HG22      VAL 112 -12.713 -13.221  -3.608
  963   HG23  VAL 112          HG23      VAL 112 -14.317 -12.534  -3.232
  964    H    TYR 113           H        TYR 113 -14.165  -9.999  -0.212
  965    HA   TYR 113           HA       TYR 113 -15.943 -12.057   0.891
  966    HB2  TYR 113           HB2      TYR 113 -15.605 -10.614   2.536
  967    HB3  TYR 113           HB3      TYR 113 -15.386  -9.242   1.483
  968    HD1  TYR 113           HD1      TYR 113 -18.400 -11.509   2.006
  969    HD2  TYR 113           HD2      TYR 113 -16.639  -7.576   2.365
  970    HE1  TYR 113           HE1      TYR 113 -20.577 -10.575   2.805
  971    HE2  TYR 113           HE2      TYR 113 -18.832  -6.661   3.118
  972    HH   TYR 113           HH       TYR 113 -21.033  -7.134   3.619
  973    H    ALA 114           H        ALA 114 -17.681 -12.847  -0.017
  974    HA   ALA 114           HA       ALA 114 -18.959 -11.424  -2.330
  975    HB1  ALA 114           HB1      ALA 114 -18.492 -13.395  -3.731
  976    HB2  ALA 114           HB2      ALA 114 -16.979 -12.767  -3.077
  977    HB3  ALA 114           HB3      ALA 114 -17.720 -14.215  -2.362
  978    H    SER 115           H        SER 115 -20.617 -13.142  -3.277
  979    HA   SER 115           HA       SER 115 -22.133 -14.561  -1.167
  980    HB2  SER 115           HB2      SER 115 -24.263 -13.443  -2.144
  981    HB3  SER 115           HB3      SER 115 -23.250 -12.589  -0.989
  982    HG   SER 115           HG       SER 115 -23.629 -12.066  -3.700
  983    H    GLN 116           H        GLN 116 -20.405 -15.413  -3.240
  984    HA   GLN 116           HA       GLN 116 -22.050 -17.355  -4.718
  985    HB2  GLN 116           HB2      GLN 116 -19.842 -15.724  -6.073
  986    HB3  GLN 116           HB3      GLN 116 -20.922 -16.902  -6.800
  987    HG2  GLN 116           HG2      GLN 116 -21.698 -14.861  -7.590
  988    HG3  GLN 116           HG3      GLN 116 -22.842 -15.279  -6.323
  989   HE21  GLN 116          HE21      GLN 116 -22.228 -11.769  -5.646
  990   HE22  GLN 116          HE22      GLN 116 -23.274 -12.834  -6.579
  991    H    GLU 117           H        GLU 117 -20.731 -19.242  -5.270
  992    HA   GLU 117           HA       GLU 117 -18.627 -19.822  -3.427
  993    HB2  GLU 117           HB2      GLU 117 -20.163 -21.476  -4.373
  994    HB3  GLU 117           HB3      GLU 117 -19.499 -21.213  -5.995
  995    HG2  GLU 117           HG2      GLU 117 -17.343 -22.142  -5.326
  996    HG3  GLU 117           HG3      GLU 117 -17.891 -22.287  -3.647
  997    H    THR 118           H        THR 118 -18.510 -18.430  -6.622
  998    HA   THR 118           HA       THR 118 -15.744 -17.731  -6.340
  999    HB   THR 118           HB       THR 118 -15.485 -20.014  -7.233
 1000    HG1  THR 118           HG1      THR 118 -13.986 -18.418  -7.794
 1001   HG21  THR 118          HG21      THR 118 -17.533 -20.226  -8.600
 1002   HG22  THR 118          HG22      THR 118 -16.920 -18.987  -9.724
 1003   HG23  THR 118          HG23      THR 118 -16.076 -20.537  -9.551
 1004    H    PHE 119           H        PHE 119 -15.010 -16.312  -8.188
 1005    HA   PHE 119           HA       PHE 119 -16.974 -14.345  -8.769
 1006    HB2  PHE 119           HB2      PHE 119 -15.165 -13.397 -10.316
 1007    HB3  PHE 119           HB3      PHE 119 -15.024 -13.377  -8.572
 1008    HD1  PHE 119           HD1      PHE 119 -14.263 -16.408 -10.667
 1009    HD2  PHE 119           HD2      PHE 119 -12.679 -13.061  -8.444
 1010    HE1  PHE 119           HE1      PHE 119 -11.989 -17.370 -10.830
 1011    HE2  PHE 119           HE2      PHE 119 -10.403 -14.029  -8.624
 1012    HZ   PHE 119           HZ       PHE 119 -10.053 -16.193  -9.804
 1013    H    GLY 120           H        GLY 120 -17.657 -13.391 -10.738
 1014    HA2  GLY 120           HA2      GLY 120 -19.046 -15.261 -12.448
 1015    HA3  GLY 120           HA3      GLY 120 -18.977 -13.509 -12.633
 1016    H1   ASP  10           H1       ASP  10 -14.026   0.834  14.575
 1017    H2   ASP  10           H2       ASP  10 -13.255  -0.434  15.251
 1018    H3   ASP  10           H3       ASP  10 -14.446   0.350  16.083
 1019    HA   ASP  10           HA       ASP  10 -13.134   2.380  16.062
 1020    HB2  ASP  10           HB2      ASP  10 -12.014   0.043  17.590
 1021    HB3  ASP  10           HB3      ASP  10 -11.398   1.693  17.750
 1022    H    TYR  11           H        TYR  11 -10.414   0.100  15.898
 1023    HA   TYR  11           HA       TYR  11  -9.420   1.471  13.465
 1024    HB2  TYR  11           HB2      TYR  11  -7.191   1.795  14.477
 1025    HB3  TYR  11           HB3      TYR  11  -8.468   2.790  15.143
 1026    HD1  TYR  11           HD1      TYR  11  -9.073   2.675  17.510
 1027    HD2  TYR  11           HD2      TYR  11  -6.377  -0.183  15.740
 1028    HE1  TYR  11           HE1      TYR  11  -8.518   1.786  19.779
 1029    HE2  TYR  11           HE2      TYR  11  -5.829  -1.063  17.996
 1030    HH   TYR  11           HH       TYR  11  -6.259  -0.992  20.188
 1031    H    GLU  12           H        GLU  12 -10.451  -1.269  14.064
 1032    HA   GLU  12           HA       GLU  12  -8.411  -3.219  14.201
 1033    HB2  GLU  12           HB2      GLU  12 -10.141  -4.775  13.751
 1034    HB3  GLU  12           HB3      GLU  12 -10.711  -3.561  14.870
 1035    HG2  GLU  12           HG2      GLU  12 -11.318  -3.310  11.903
 1036    HG3  GLU  12           HG3      GLU  12 -12.209  -4.437  12.915
 1037    H    SER  13           H        SER  13  -8.544  -1.242  11.635
 1038    HA   SER  13           HA       SER  13  -7.073  -3.151   9.930
 1039    HB2  SER  13           HB2      SER  13  -9.539  -1.683   9.017
 1040    HB3  SER  13           HB3      SER  13  -8.269  -2.163   7.877
 1041    HG   SER  13           HG       SER  13  -9.149  -4.124   9.672
 1042    H    ASP  14           H        ASP  14  -6.386  -0.791  11.692
 1043    HA   ASP  14           HA       ASP  14  -5.223   1.057   9.719
 1044    HB2  ASP  14           HB2      ASP  14  -5.599   1.332  12.664
 1045    HB3  ASP  14           HB3      ASP  14  -4.541   2.389  11.737
 1046    H    ASP  15           H        ASP  15  -3.145   0.903  12.404
 1047    HA   ASP  15           HA       ASP  15  -1.172  -0.694  10.986
 1048    HB2  ASP  15           HB2      ASP  15   0.428   1.264  10.709
 1049    HB3  ASP  15           HB3      ASP  15  -0.896   1.080   9.579
 1050    H    ASP  16           H        ASP  16   1.034  -0.623  11.814
 1051    HA   ASP  16           HA       ASP  16   2.449  -1.185  13.413
 1052    HB2  ASP  16           HB2      ASP  16   1.573   1.510  14.388
 1053    HB3  ASP  16           HB3      ASP  16   2.876   0.610  15.145
 1054    H    SER  17           H        SER  17   0.589   0.167  16.071
 1055    HA   SER  17           HA       SER  17   1.051  -2.334  17.551
 1056    HB2  SER  17           HB2      SER  17   0.402  -0.973  19.506
 1057    HB3  SER  17           HB3      SER  17   1.704  -0.228  18.569
 1058    HG   SER  17           HG       SER  17   0.081   1.301  19.126
 1059    H    TYR  18           H        TYR  18  -1.470  -1.258  15.666
 1060    HA   TYR  18           HA       TYR  18  -3.755  -1.435  17.160
 1061    HB2  TYR  18           HB2      TYR  18  -4.972  -1.772  15.131
 1062    HB3  TYR  18           HB3      TYR  18  -3.739  -0.545  14.944
 1063    HD1  TYR  18           HD1      TYR  18  -1.342  -2.564  14.183
 1064    HD2  TYR  18           HD2      TYR  18  -5.451  -2.173  12.931
 1065    HE1  TYR  18           HE1      TYR  18  -0.750  -3.507  12.009
 1066    HE2  TYR  18           HE2      TYR  18  -4.825  -3.144  10.702
 1067    HH   TYR  18           HH       TYR  18  -1.503  -4.155   9.895
 1068    H    GLU  19           H        GLU  19  -5.006  -2.921  18.146
 1069    HA   GLU  19           HA       GLU  19  -4.613  -5.760  17.897
 1070    HB2  GLU  19           HB2      GLU  19  -6.934  -4.209  19.128
 1071    HB3  GLU  19           HB3      GLU  19  -6.637  -5.935  19.258
 1072    HG2  GLU  19           HG2      GLU  19  -5.805  -5.202  21.248
 1073    HG3  GLU  19           HG3      GLU  19  -4.348  -5.346  20.276
 1074    H    VAL  20           H        VAL  20  -4.660  -5.856  15.565
 1075    HA   VAL  20           HA       VAL  20  -6.916  -5.343  14.001
 1076    HB   VAL  20           HB       VAL  20  -5.249  -7.599  13.021
 1077   HG11  VAL  20          HG11      VAL  20  -6.857  -6.373  11.582
 1078   HG12  VAL  20          HG12      VAL  20  -6.014  -4.865  11.927
 1079   HG13  VAL  20          HG13      VAL  20  -5.194  -6.133  11.005
 1080   HG21  VAL  20          HG21      VAL  20  -3.442  -6.508  14.153
 1081   HG22  VAL  20          HG22      VAL  20  -3.369  -6.007  12.459
 1082   HG23  VAL  20          HG23      VAL  20  -4.029  -4.906  13.660
 1083    H    LEU  21           H        LEU  21  -8.530  -6.586  12.938
 1084    HA   LEU  21           HA       LEU  21 -10.226  -8.132  12.804
 1085    HB2  LEU  21           HB2      LEU  21  -8.267  -9.648  12.325
 1086    HB3  LEU  21           HB3      LEU  21  -8.277 -10.105  14.012
 1087    HG   LEU  21           HG       LEU  21 -10.583 -11.083  13.693
 1088   HD11  LEU  21          HD11      LEU  21  -9.927 -10.742  10.736
 1089   HD12  LEU  21          HD12      LEU  21 -11.286 -11.636  11.408
 1090   HD13  LEU  21          HD13      LEU  21 -11.224  -9.873  11.589
 1091   HD21  LEU  21          HD21      LEU  21  -8.365 -12.180  11.933
 1092   HD22  LEU  21          HD22      LEU  21  -8.512 -12.442  13.685
 1093   HD23  LEU  21          HD23      LEU  21  -9.742 -13.089  12.595
 1094    H    ASP  22           H        ASP  22  -9.498  -6.529  15.273
 1095    HA   ASP  22           HA       ASP  22  -9.995  -6.057  17.276
 1096    HB2  ASP  22           HB2      ASP  22 -12.433  -5.921  17.861
 1097    HB3  ASP  22           HB3      ASP  22 -11.867  -5.152  16.392
 1098    H    LEU  23           H        LEU  23 -10.467  -9.405  16.951
 1099    HA   LEU  23           HA       LEU  23 -11.414  -9.970  19.565
 1100    HB2  LEU  23           HB2      LEU  23 -11.446 -12.155  18.920
 1101    HB3  LEU  23           HB3      LEU  23 -11.610 -11.326  17.388
 1102    HG   LEU  23           HG       LEU  23  -9.081 -12.642  18.490
 1103   HD11  LEU  23          HD11      LEU  23 -10.841 -14.225  17.783
 1104   HD12  LEU  23          HD12      LEU  23 -10.917 -13.435  16.198
 1105   HD13  LEU  23          HD13      LEU  23  -9.441 -14.287  16.708
 1106   HD21  LEU  23          HD21      LEU  23  -8.121 -12.320  16.233
 1107   HD22  LEU  23          HD22      LEU  23  -9.554 -11.380  15.772
 1108   HD23  LEU  23          HD23      LEU  23  -8.438 -10.768  17.009
 1109    H    THR  24           H        THR  24 -10.479 -11.220  21.256
 1110    HA   THR  24           HA       THR  24  -8.084 -10.141  22.209
 1111    HB   THR  24           HB       THR  24  -9.117 -12.543  23.597
 1112    HG1  THR  24           HG1      THR  24 -10.941 -11.435  24.296
 1113   HG21  THR  24          HG21      THR  24  -8.572  -9.677  24.506
 1114   HG22  THR  24          HG22      THR  24  -8.997 -11.047  25.559
 1115   HG23  THR  24          HG23      THR  24  -7.458 -11.048  24.694
 1116    H    GLU  25           H        GLU  25  -8.138 -12.693  20.079
 1117    HA   GLU  25           HA       GLU  25  -5.927 -14.265  21.083
 1118    HB2  GLU  25           HB2      GLU  25  -6.963 -13.952  18.238
 1119    HB3  GLU  25           HB3      GLU  25  -5.863 -15.207  18.778
 1120    HG2  GLU  25           HG2      GLU  25  -8.744 -14.837  19.700
 1121    HG3  GLU  25           HG3      GLU  25  -8.165 -16.017  18.537
 1122    H    TYR  26           H        TYR  26  -5.976 -11.159  19.555
 1123    HA   TYR  26           HA       TYR  26  -3.460 -11.274  18.231
 1124    HB2  TYR  26           HB2      TYR  26  -4.945  -9.687  17.436
 1125    HB3  TYR  26           HB3      TYR  26  -5.206  -8.995  19.031
 1126    HD1  TYR  26           HD1      TYR  26  -3.342  -7.696  20.182
 1127    HD2  TYR  26           HD2      TYR  26  -3.238  -8.782  16.011
 1128    HE1  TYR  26           HE1      TYR  26  -1.550  -6.018  19.798
 1129    HE2  TYR  26           HE2      TYR  26  -1.405  -7.117  15.635
 1130    HH   TYR  26           HH       TYR  26  -0.264  -4.938  18.210
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -7.514   2.195   8.464
    2    H2   MET   1           H2       MET   1  -6.609   3.355   7.788
    3    H3   MET   1           H3       MET   1  -7.802   3.775   8.807
    4    HA   MET   1           HA       MET   1  -8.344   4.220   6.492
    5    HB2  MET   1           HB2      MET   1  -7.127   2.441   5.410
    6    HB3  MET   1           HB3      MET   1  -8.180   1.222   6.091
    7    HG2  MET   1           HG2      MET   1  -8.871   1.442   3.917
    8    HG3  MET   1           HG3      MET   1 -10.108   2.309   4.791
    9    HE1  MET   1           HE1      MET   1 -10.046   5.798   3.324
   10    HE2  MET   1           HE2      MET   1 -10.916   4.514   4.175
   11    HE3  MET   1           HE3      MET   1  -9.593   5.391   4.981
   12    HA   PRO   2           HA       PRO   2 -12.509   1.704   7.181
   13    HB2  PRO   2           HB2      PRO   2 -12.045   1.281  10.166
   14    HB3  PRO   2           HB3      PRO   2 -13.224   0.456   9.087
   15    HG2  PRO   2           HG2      PRO   2 -10.853  -0.692   9.544
   16    HG3  PRO   2           HG3      PRO   2 -11.409  -0.563   7.838
   17    HD2  PRO   2           HD2      PRO   2  -9.506   1.223   9.352
   18    HD3  PRO   2           HD3      PRO   2  -9.322   0.514   7.709
   19    H    SER   3           H        SER   3 -13.416   3.580   6.606
   20    HA   SER   3           HA       SER   3 -14.812   5.234   8.530
   21    HB2  SER   3           HB2      SER   3 -13.659   7.363   7.995
   22    HB3  SER   3           HB3      SER   3 -12.598   6.236   8.845
   23    HG   SER   3           HG       SER   3 -11.612   5.709   6.895
   24    H    GLU   4           H        GLU   4 -13.962   4.570   5.120
   25    HA   GLU   4           HA       GLU   4 -16.408   5.895   4.199
   26    HB2  GLU   4           HB2      GLU   4 -14.941   7.828   4.583
   27    HB3  GLU   4           HB3      GLU   4 -13.709   7.117   3.529
   28    HG2  GLU   4           HG2      GLU   4 -15.200   7.315   1.592
   29    HG3  GLU   4           HG3      GLU   4 -16.522   7.847   2.635
   30    H    LYS   5           H        LYS   5 -13.269   4.614   3.001
   31    HA   LYS   5           HA       LYS   5 -14.645   3.253   0.761
   32    HB2  LYS   5           HB2      LYS   5 -14.430   5.592   0.028
   33    HB3  LYS   5           HB3      LYS   5 -12.687   5.550   0.297
   34    HG2  LYS   5           HG2      LYS   5 -12.376   3.995  -1.543
   35    HG3  LYS   5           HG3      LYS   5 -14.131   3.740  -1.689
   36    HD2  LYS   5           HD2      LYS   5 -14.427   6.119  -2.328
   37    HD3  LYS   5           HD3      LYS   5 -12.672   6.372  -2.192
   38    HE2  LYS   5           HE2      LYS   5 -12.288   4.680  -3.971
   39    HE3  LYS   5           HE3      LYS   5 -14.029   4.388  -4.079
   40    HZ1  LYS   5           HZ1      LYS   5 -13.288   5.940  -5.801
   41    HZ2  LYS   5           HZ2      LYS   5 -14.314   6.709  -4.796
   42    HZ3  LYS   5           HZ3      LYS   5 -12.706   6.993  -4.698
   43    H    THR   6           H        THR   6 -13.442   1.810  -0.443
   44    HA   THR   6           HA       THR   6 -11.845   0.035   0.723
   45    HB   THR   6           HB       THR   6 -11.401   0.446  -2.198
   46    HG1  THR   6           HG1      THR   6 -13.511  -0.170  -2.632
   47   HG21  THR   6          HG21      THR   6 -12.094  -1.940  -2.332
   48   HG22  THR   6          HG22      THR   6 -10.722  -1.722  -1.224
   49   HG23  THR   6          HG23      THR   6 -12.367  -1.956  -0.580
   50    H    PHE   7           H        PHE   7  -9.788  -0.528   1.143
   51    HA   PHE   7           HA       PHE   7  -7.975   1.339   1.827
   52    HB2  PHE   7           HB2      PHE   7  -7.979  -0.773   2.770
   53    HB3  PHE   7           HB3      PHE   7  -7.700  -1.535   1.201
   54    HD1  PHE   7           HD1      PHE   7  -5.850  -2.854   1.279
   55    HD2  PHE   7           HD2      PHE   7  -5.733   1.043   3.138
   56    HE1  PHE   7           HE1      PHE   7  -3.549  -3.300   2.062
   57    HE2  PHE   7           HE2      PHE   7  -3.453   0.553   3.987
   58    HZ   PHE   7           HZ       PHE   7  -2.336  -1.603   3.404
   59    H    LYS   8           H        LYS   8  -7.901   0.096  -1.447
   60    HA   LYS   8           HA       LYS   8  -5.386   1.089  -2.331
   61    HB2  LYS   8           HB2      LYS   8  -6.740  -0.393  -3.684
   62    HB3  LYS   8           HB3      LYS   8  -8.089   0.730  -3.688
   63    HG2  LYS   8           HG2      LYS   8  -7.032   0.686  -5.856
   64    HG3  LYS   8           HG3      LYS   8  -6.897   2.278  -5.131
   65    HD2  LYS   8           HD2      LYS   8  -4.488   1.693  -4.489
   66    HD3  LYS   8           HD3      LYS   8  -4.716   0.147  -5.300
   67    HE2  LYS   8           HE2      LYS   8  -3.496   1.697  -6.722
   68    HE3  LYS   8           HE3      LYS   8  -5.042   1.259  -7.458
   69    HZ1  LYS   8           HZ1      LYS   8  -5.925   3.424  -6.811
   70    HZ2  LYS   8           HZ2      LYS   8  -4.568   3.809  -5.970
   71    HZ3  LYS   8           HZ3      LYS   8  -4.523   3.668  -7.593
   72    H    GLN   9           H        GLN   9  -8.288   2.922  -1.539
   73    HA   GLN   9           HA       GLN   9  -7.618   5.398  -2.803
   74    HB2  GLN   9           HB2      GLN   9  -9.800   4.780  -1.863
   75    HB3  GLN   9           HB3      GLN   9  -9.162   4.819  -0.231
   76    HG2  GLN   9           HG2      GLN   9  -9.174   7.233  -2.113
   77    HG3  GLN   9           HG3      GLN   9 -10.524   6.823  -1.057
   78   HE21  GLN   9          HE21      GLN   9  -8.942   6.049   1.340
   79   HE22  GLN   9          HE22      GLN   9  -8.312   7.585   1.920
   80    H    ARG  10           H        ARG  10  -6.466   3.930   0.226
   81    HA   ARG  10           HA       ARG  10  -4.872   6.369   0.884
   82    HB2  ARG  10           HB2      ARG  10  -6.419   5.526   2.581
   83    HB3  ARG  10           HB3      ARG  10  -5.668   3.941   2.527
   84    HG2  ARG  10           HG2      ARG  10  -4.974   5.060   4.512
   85    HG3  ARG  10           HG3      ARG  10  -3.565   4.903   3.486
   86    HD2  ARG  10           HD2      ARG  10  -5.262   7.432   3.671
   87    HD3  ARG  10           HD3      ARG  10  -3.870   7.111   4.721
   88    HE   ARG  10           HE       ARG  10  -2.803   6.794   2.206
   89   HH11  ARG  10          HH11      ARG  10  -4.423   9.487   3.771
   90   HH12  ARG  10          HH12      ARG  10  -3.639  10.664   2.753
   91   HH21  ARG  10          HH21      ARG  10  -1.874   8.340   0.927
   92   HH22  ARG  10          HH22      ARG  10  -2.214  10.022   1.198
   93    H    ARG  11           H        ARG  11  -4.365   2.857   0.307
   94    HA   ARG  11           HA       ARG  11  -1.394   3.355   0.510
   95    HB2  ARG  11           HB2      ARG  11  -2.986   1.925   2.167
   96    HB3  ARG  11           HB3      ARG  11  -2.615   0.654   1.027
   97    HG2  ARG  11           HG2      ARG  11  -1.048   0.450   2.774
   98    HG3  ARG  11           HG3      ARG  11  -0.128   1.179   1.466
   99    HD2  ARG  11           HD2      ARG  11  -0.293   3.379   2.539
  100    HD3  ARG  11           HD3      ARG  11  -1.455   2.770   3.716
  101    HE   ARG  11           HE       ARG  11   0.449   1.186   4.464
  102   HH11  ARG  11          HH11      ARG  11   2.126   1.477   5.807
  103   HH12  ARG  11          HH12      ARG  11   2.948   3.020   5.907
  104   HH21  ARG  11          HH21      ARG  11   1.163   4.511   3.380
  105   HH22  ARG  11          HH22      ARG  11   2.372   4.692   4.612
  106    H    THR  12           H        THR  12  -0.416   3.345  -1.351
  107    HA   THR  12           HA       THR  12  -1.204   1.734  -3.682
  108    HB   THR  12           HB       THR  12   0.777   2.782  -4.732
  109    HG1  THR  12           HG1      THR  12   2.085   4.086  -3.598
  110   HG21  THR  12          HG21      THR  12  -0.892   4.845  -3.219
  111   HG22  THR  12          HG22      THR  12   0.030   5.098  -4.718
  112   HG23  THR  12          HG23      THR  12  -1.383   4.031  -4.726
  113    H    PHE  13           H        PHE  13   0.523   0.384  -4.808
  114    HA   PHE  13           HA       PHE  13   1.078  -1.824  -3.259
  115    HB2  PHE  13           HB2      PHE  13   0.868  -2.162  -5.518
  116    HB3  PHE  13           HB3      PHE  13   2.071  -0.957  -5.929
  117    HD1  PHE  13           HD1      PHE  13   1.587  -4.446  -4.821
  118    HD2  PHE  13           HD2      PHE  13   4.476  -1.429  -5.902
  119    HE1  PHE  13           HE1      PHE  13   3.339  -6.193  -5.045
  120    HE2  PHE  13           HE2      PHE  13   6.225  -3.182  -6.112
  121    HZ   PHE  13           HZ       PHE  13   5.650  -5.569  -5.678
  122    H    GLU  14           H        GLU  14   3.619   0.594  -4.002
  123    HA   GLU  14           HA       GLU  14   5.651  -0.832  -2.581
  124    HB2  GLU  14           HB2      GLU  14   6.943   1.198  -2.666
  125    HB3  GLU  14           HB3      GLU  14   6.134   0.908  -4.205
  126    HG2  GLU  14           HG2      GLU  14   4.380   2.600  -3.534
  127    HG3  GLU  14           HG3      GLU  14   5.324   2.934  -2.080
  128    H    GLN  15           H        GLN  15   3.197   1.466  -1.401
  129    HA   GLN  15           HA       GLN  15   4.271   1.668   1.305
  130    HB2  GLN  15           HB2      GLN  15   1.494   2.175   0.172
  131    HB3  GLN  15           HB3      GLN  15   2.001   2.523   1.822
  132    HG2  GLN  15           HG2      GLN  15   3.653   4.154   1.005
  133    HG3  GLN  15           HG3      GLN  15   3.179   3.813  -0.668
  134   HE21  GLN  15          HE21      GLN  15   0.305   5.901  -0.502
  135   HE22  GLN  15          HE22      GLN  15   1.338   4.871  -1.504
  136    H    ARG  16           H        ARG  16   1.903  -0.464  -0.310
  137    HA   ARG  16           HA       ARG  16   1.176  -1.953   2.095
  138    HB2  ARG  16           HB2      ARG  16   0.930  -2.631  -0.869
  139    HB3  ARG  16           HB3      ARG  16   0.270  -3.608   0.444
  140    HG2  ARG  16           HG2      ARG  16  -1.007  -1.544   1.227
  141    HG3  ARG  16           HG3      ARG  16  -0.525  -0.757  -0.279
  142    HD2  ARG  16           HD2      ARG  16  -2.234  -3.220   0.079
  143    HD3  ARG  16           HD3      ARG  16  -2.755  -1.666  -0.544
  144    HE   ARG  16           HE       ARG  16  -1.055  -3.718  -1.946
  145   HH11  ARG  16          HH11      ARG  16  -1.139  -3.948  -3.912
  146   HH12  ARG  16          HH12      ARG  16  -1.943  -2.824  -5.017
  147   HH21  ARG  16          HH21      ARG  16  -2.729  -0.625  -2.404
  148   HH22  ARG  16          HH22      ARG  16  -2.875  -0.955  -4.116
  149    H    VAL  17           H        VAL  17   3.679  -2.451  -0.380
  150    HA   VAL  17           HA       VAL  17   4.715  -4.910   0.700
  151    HB   VAL  17           HB       VAL  17   5.951  -2.697  -0.979
  152   HG11  VAL  17          HG11      VAL  17   7.831  -4.272  -1.439
  153   HG12  VAL  17          HG12      VAL  17   7.838  -3.700   0.226
  154   HG13  VAL  17          HG13      VAL  17   7.243  -5.335  -0.144
  155   HG21  VAL  17          HG21      VAL  17   5.198  -5.591  -1.608
  156   HG22  VAL  17          HG22      VAL  17   4.217  -4.181  -2.032
  157   HG23  VAL  17          HG23      VAL  17   5.815  -4.382  -2.755
  158    H    GLU  18           H        GLU  18   5.527  -1.427   1.503
  159    HA   GLU  18           HA       GLU  18   7.353  -2.205   3.590
  160    HB2  GLU  18           HB2      GLU  18   5.713   0.320   3.212
  161    HB3  GLU  18           HB3      GLU  18   6.786   0.074   4.583
  162    HG2  GLU  18           HG2      GLU  18   7.626   0.059   1.664
  163    HG3  GLU  18           HG3      GLU  18   7.843   1.380   2.809
  164    H    ASP  19           H        ASP  19   3.793  -1.545   3.813
  165    HA   ASP  19           HA       ASP  19   3.511  -2.215   6.552
  166    HB2  ASP  19           HB2      ASP  19   1.604  -2.593   4.246
  167    HB3  ASP  19           HB3      ASP  19   1.206  -3.030   5.893
  168    H    VAL  20           H        VAL  20   3.504  -4.561   3.837
  169    HA   VAL  20           HA       VAL  20   3.255  -6.765   5.619
  170    HB   VAL  20           HB       VAL  20   2.789  -6.621   3.046
  171   HG11  VAL  20          HG11      VAL  20   5.475  -8.085   3.077
  172   HG12  VAL  20          HG12      VAL  20   4.345  -7.933   1.729
  173   HG13  VAL  20          HG13      VAL  20   5.172  -6.503   2.315
  174   HG21  VAL  20          HG21      VAL  20   2.081  -8.385   4.580
  175   HG22  VAL  20          HG22      VAL  20   2.655  -9.059   3.052
  176   HG23  VAL  20          HG23      VAL  20   3.696  -9.144   4.489
  177    H    ARG  21           H        ARG  21   6.171  -5.298   4.265
  178    HA   ARG  21           HA       ARG  21   8.102  -7.159   5.306
  179    HB2  ARG  21           HB2      ARG  21   8.670  -5.596   3.561
  180    HB3  ARG  21           HB3      ARG  21   8.168  -4.214   4.532
  181    HG2  ARG  21           HG2      ARG  21  10.057  -4.551   6.072
  182    HG3  ARG  21           HG3      ARG  21  10.577  -5.974   5.146
  183    HD2  ARG  21           HD2      ARG  21  10.983  -4.585   3.179
  184    HD3  ARG  21           HD3      ARG  21  10.277  -3.179   3.971
  185    HE   ARG  21           HE       ARG  21  12.865  -4.500   4.676
  186   HH11  ARG  21          HH11      ARG  21  10.928  -1.517   4.769
  187   HH12  ARG  21          HH12      ARG  21  12.245  -0.642   5.500
  188   HH21  ARG  21          HH21      ARG  21  14.160  -1.584   5.938
  189   HH22  ARG  21          HH22      ARG  21  14.445  -3.265   5.614
  190    H    LEU  22           H        LEU  22   6.919  -4.063   6.636
  191    HA   LEU  22           HA       LEU  22   8.441  -4.158   9.045
  192    HB2  LEU  22           HB2      LEU  22   5.837  -2.746   8.342
  193    HB3  LEU  22           HB3      LEU  22   6.727  -2.464   9.831
  194    HG   LEU  22           HG       LEU  22   8.025  -2.042   7.102
  195   HD11  LEU  22          HD11      LEU  22   6.612   0.017   8.843
  196   HD12  LEU  22          HD12      LEU  22   7.531   0.342   7.345
  197   HD13  LEU  22          HD13      LEU  22   6.033  -0.591   7.275
  198   HD21  LEU  22          HD21      LEU  22   8.691  -0.975   9.872
  199   HD22  LEU  22          HD22      LEU  22   9.590  -2.236   8.995
  200   HD23  LEU  22          HD23      LEU  22   9.544  -0.589   8.363
  201    H    ILE  23           H        ILE  23   4.971  -5.166   8.492
  202    HA   ILE  23           HA       ILE  23   4.670  -5.953  11.191
  203    HB   ILE  23           HB       ILE  23   2.891  -5.453   9.490
  204   HG12  ILE  23          HG12      ILE  23   2.560  -6.368  11.838
  205   HG13  ILE  23          HG13      ILE  23   1.258  -6.419  10.674
  206   HG21  ILE  23          HG21      ILE  23   1.854  -7.228   8.219
  207   HG22  ILE  23          HG22      ILE  23   3.534  -7.042   7.723
  208   HG23  ILE  23          HG23      ILE  23   3.084  -8.411   8.737
  209   HD11  ILE  23          HD11      ILE  23   2.954  -8.852  11.362
  210   HD12  ILE  23          HD12      ILE  23   1.422  -8.447  12.126
  211   HD13  ILE  23          HD13      ILE  23   1.459  -8.818  10.398
  212    H    ARG  24           H        ARG  24   5.743  -7.936   8.392
  213    HA   ARG  24           HA       ARG  24   5.873 -10.416   9.806
  214    HB2  ARG  24           HB2      ARG  24   6.022 -10.142   7.326
  215    HB3  ARG  24           HB3      ARG  24   7.604  -9.392   7.512
  216    HG2  ARG  24           HG2      ARG  24   7.894 -11.667   6.783
  217    HG3  ARG  24           HG3      ARG  24   8.506 -11.531   8.426
  218    HD2  ARG  24           HD2      ARG  24   6.361 -12.514   9.272
  219    HD3  ARG  24           HD3      ARG  24   5.792 -12.667   7.607
  220    HE   ARG  24           HE       ARG  24   8.063 -14.157   8.896
  221   HH11  ARG  24          HH11      ARG  24   5.733 -14.141   6.182
  222   HH12  ARG  24          HH12      ARG  24   6.044 -15.864   5.949
  223   HH21  ARG  24          HH21      ARG  24   8.296 -16.345   8.313
  224   HH22  ARG  24          HH22      ARG  24   7.292 -16.945   6.991
  225    H    GLU  25           H        GLU  25   8.175  -7.698   9.755
  226    HA   GLU  25           HA       GLU  25  10.117  -9.079  11.432
  227    HB2  GLU  25           HB2      GLU  25   9.754  -6.157  10.709
  228    HB3  GLU  25           HB3      GLU  25  11.050  -6.741  11.737
  229    HG2  GLU  25           HG2      GLU  25  10.574  -7.669   8.878
  230    HG3  GLU  25           HG3      GLU  25  11.697  -6.401   9.353
  231    H    GLN  26           H        GLN  26   7.654  -6.518  12.285
  232    HA   GLN  26           HA       GLN  26   8.512  -6.866  15.076
  233    HB2  GLN  26           HB2      GLN  26   7.325  -4.887  15.645
  234    HB3  GLN  26           HB3      GLN  26   8.418  -4.671  14.299
  235    HG2  GLN  26           HG2      GLN  26   6.544  -3.358  13.827
  236    HG3  GLN  26           HG3      GLN  26   6.463  -4.715  12.728
  237   HE21  GLN  26          HE21      GLN  26   3.033  -4.740  13.607
  238   HE22  GLN  26          HE22      GLN  26   4.198  -4.248  12.418
  239    H    HIS  27           H        HIS  27   5.834  -8.186  13.342
  240    HA   HIS  27           HA       HIS  27   5.016  -9.478  15.917
  241    HB2  HIS  27           HB2      HIS  27   3.088  -8.381  13.840
  242    HB3  HIS  27           HB3      HIS  27   2.626  -9.508  15.115
  243    HD1  HIS  27           HD1      HIS  27   4.252  -7.816  17.496
  244    HD2  HIS  27           HD2      HIS  27   1.292  -6.620  14.733
  245    HE1  HIS  27           HE1      HIS  27   2.928  -5.921  18.622
  246    HE2  HIS  27           HE2      HIS  27   1.155  -5.156  16.911
  247    HA   PRO  28           HA       PRO  28   6.241 -12.399  12.484
  248    HB2  PRO  28           HB2      PRO  28   7.439 -13.840  14.854
  249    HB3  PRO  28           HB3      PRO  28   8.078 -13.666  13.185
  250    HG2  PRO  28           HG2      PRO  28   9.076 -12.131  15.168
  251    HG3  PRO  28           HG3      PRO  28   8.687 -11.382  13.584
  252    HD2  PRO  28           HD2      PRO  28   7.018 -11.393  16.113
  253    HD3  PRO  28           HD3      PRO  28   7.433 -10.030  15.042
  254    H    THR  29           H        THR  29   4.695 -13.088  15.624
  255    HA   THR  29           HA       THR  29   3.567 -15.629  14.838
  256    HB   THR  29           HB       THR  29   2.504 -15.744  16.874
  257    HG1  THR  29           HG1      THR  29   2.150 -13.919  18.177
  258   HG21  THR  29          HG21      THR  29   4.879 -13.952  17.561
  259   HG22  THR  29          HG22      THR  29   4.131 -15.212  18.564
  260   HG23  THR  29          HG23      THR  29   5.022 -15.671  17.103
  261    H    LYS  30           H        LYS  30   2.679 -12.570  13.778
  262    HA   LYS  30           HA       LYS  30  -0.135 -13.465  13.293
  263    HB2  LYS  30           HB2      LYS  30   0.921 -10.635  13.610
  264    HB3  LYS  30           HB3      LYS  30  -0.717 -11.067  13.081
  265    HG2  LYS  30           HG2      LYS  30  -1.105 -12.295  15.184
  266    HG3  LYS  30           HG3      LYS  30   0.529 -11.899  15.733
  267    HD2  LYS  30           HD2      LYS  30  -0.034  -9.499  15.790
  268    HD3  LYS  30           HD3      LYS  30  -1.630  -9.837  15.105
  269    HE2  LYS  30           HE2      LYS  30  -1.888  -9.520  17.493
  270    HE3  LYS  30           HE3      LYS  30  -2.232 -11.196  17.086
  271    HZ1  LYS  30           HZ1      LYS  30   0.073 -11.749  17.889
  272    HZ2  LYS  30           HZ2      LYS  30   0.298 -10.180  18.324
  273    HZ3  LYS  30           HZ3      LYS  30  -0.842 -11.097  19.062
  274    H    ILE  31           H        ILE  31  -1.034 -13.338  11.446
  275    HA   ILE  31           HA       ILE  31   0.726 -13.402   9.076
  276    HB   ILE  31           HB       ILE  31  -2.014 -14.599   9.661
  277   HG12  ILE  31          HG12      ILE  31  -0.389 -15.636  11.117
  278   HG13  ILE  31          HG13      ILE  31  -0.849 -16.752   9.847
  279   HG21  ILE  31          HG21      ILE  31  -0.133 -14.909   7.309
  280   HG22  ILE  31          HG22      ILE  31  -1.485 -16.022   7.655
  281   HG23  ILE  31          HG23      ILE  31  -1.807 -14.321   7.288
  282   HD11  ILE  31          HD11      ILE  31   1.295 -16.298   8.656
  283   HD12  ILE  31          HD12      ILE  31   1.774 -15.199   9.969
  284   HD13  ILE  31          HD13      ILE  31   1.536 -16.920  10.295
  285    HA   PRO  32           HA       PRO  32  -1.649  -9.792   7.727
  286    HB2  PRO  32           HB2      PRO  32  -0.206  -9.032   5.574
  287    HB3  PRO  32           HB3      PRO  32   0.441  -8.907   7.235
  288    HG2  PRO  32           HG2      PRO  32   0.962 -11.113   5.220
  289    HG3  PRO  32           HG3      PRO  32   2.152 -10.222   6.222
  290    HD2  PRO  32           HD2      PRO  32   1.122 -12.678   6.918
  291    HD3  PRO  32           HD3      PRO  32   1.630 -11.451   8.122
  292    H    VAL  33           H        VAL  33  -3.488  -9.688   6.611
  293    HA   VAL  33           HA       VAL  33  -3.918 -11.345   4.169
  294    HB   VAL  33           HB       VAL  33  -5.870 -11.225   6.488
  295   HG11  VAL  33          HG11      VAL  33  -6.918 -11.611   4.279
  296   HG12  VAL  33          HG12      VAL  33  -5.816 -12.977   3.998
  297   HG13  VAL  33          HG13      VAL  33  -7.023 -13.028   5.311
  298   HG21  VAL  33          HG21      VAL  33  -5.353 -13.615   6.888
  299   HG22  VAL  33          HG22      VAL  33  -3.973 -13.491   5.770
  300   HG23  VAL  33          HG23      VAL  33  -4.004 -12.553   7.283
  301    H    ILE  34           H        ILE  34  -5.003 -10.286   2.580
  302    HA   ILE  34           HA       ILE  34  -6.539  -7.808   3.300
  303    HB   ILE  34           HB       ILE  34  -4.757  -8.405   1.001
  304   HG12  ILE  34          HG12      ILE  34  -4.395  -5.988   1.056
  305   HG13  ILE  34          HG13      ILE  34  -5.716  -5.767   2.197
  306   HG21  ILE  34          HG21      ILE  34  -7.312  -6.800   0.570
  307   HG22  ILE  34          HG22      ILE  34  -5.921  -6.876  -0.533
  308   HG23  ILE  34          HG23      ILE  34  -6.873  -8.327  -0.236
  309   HD11  ILE  34          HD11      ILE  34  -3.384  -5.643   3.169
  310   HD12  ILE  34          HD12      ILE  34  -4.472  -6.772   3.986
  311   HD13  ILE  34          HD13      ILE  34  -3.228  -7.384   2.870
  312    H    ILE  35           H        ILE  35  -8.620  -7.638   2.700
  313    HA   ILE  35           HA       ILE  35  -9.925  -9.952   1.386
  314    HB   ILE  35           HB       ILE  35 -10.250 -10.369   3.729
  315   HG12  ILE  35          HG12      ILE  35 -12.793  -9.244   2.441
  316   HG13  ILE  35          HG13      ILE  35 -12.113 -10.846   2.159
  317   HG21  ILE  35          HG21      ILE  35  -9.957  -7.973   4.537
  318   HG22  ILE  35          HG22      ILE  35 -11.610  -7.646   3.999
  319   HG23  ILE  35          HG23      ILE  35 -11.306  -8.836   5.274
  320   HD11  ILE  35          HD11      ILE  35 -13.301  -9.787   4.760
  321   HD12  ILE  35          HD12      ILE  35 -13.965 -11.020   3.696
  322   HD13  ILE  35          HD13      ILE  35 -12.472 -11.355   4.609
  323    H    GLU  36           H        GLU  36 -11.290  -9.312  -0.234
  324    HA   GLU  36           HA       GLU  36 -12.352  -6.491  -0.130
  325    HB2  GLU  36           HB2      GLU  36 -10.255  -6.773  -1.543
  326    HB3  GLU  36           HB3      GLU  36 -11.191  -7.844  -2.603
  327    HG2  GLU  36           HG2      GLU  36 -12.773  -5.980  -3.046
  328    HG3  GLU  36           HG3      GLU  36 -11.874  -4.941  -1.936
  329    H    ARG  37           H        ARG  37 -14.312  -6.154  -0.714
  330    HA   ARG  37           HA       ARG  37 -16.226  -8.310  -1.068
  331    HB2  ARG  37           HB2      ARG  37 -16.487  -6.131   0.053
  332    HB3  ARG  37           HB3      ARG  37 -16.394  -5.290  -1.500
  333    HG2  ARG  37           HG2      ARG  37 -18.504  -6.382  -2.211
  334    HG3  ARG  37           HG3      ARG  37 -18.574  -7.264  -0.672
  335    HD2  ARG  37           HD2      ARG  37 -18.606  -4.216  -0.981
  336    HD3  ARG  37           HD3      ARG  37 -19.991  -5.239  -0.634
  337    HE   ARG  37           HE       ARG  37 -19.235  -5.669   1.550
  338   HH11  ARG  37          HH11      ARG  37 -16.953  -3.344   0.138
  339   HH12  ARG  37          HH12      ARG  37 -16.207  -3.113   1.702
  340   HH21  ARG  37          HH21      ARG  37 -18.160  -5.348   3.364
  341   HH22  ARG  37          HH22      ARG  37 -16.835  -4.180   3.439
  342    H    TYR  38           H        TYR  38 -17.074  -9.119  -2.977
  343    HA   TYR  38           HA       TYR  38 -15.433  -9.071  -5.164
  344    HB2  TYR  38           HB2      TYR  38 -16.697 -10.941  -4.968
  345    HB3  TYR  38           HB3      TYR  38 -18.211 -10.048  -4.856
  346    HD1  TYR  38           HD1      TYR  38 -15.405 -10.506  -7.341
  347    HD2  TYR  38           HD2      TYR  38 -19.669 -10.232  -6.674
  348    HE1  TYR  38           HE1      TYR  38 -15.806 -10.810  -9.771
  349    HE2  TYR  38           HE2      TYR  38 -20.057 -10.578  -9.110
  350    HH   TYR  38           HH       TYR  38 -17.389 -10.647 -11.468
  351    H    LYS  39           H        LYS  39 -14.840  -7.852  -6.747
  352    HA   LYS  39           HA       LYS  39 -15.630  -5.198  -6.957
  353    HB2  LYS  39           HB2      LYS  39 -14.253  -6.964  -9.033
  354    HB3  LYS  39           HB3      LYS  39 -14.378  -5.206  -9.148
  355    HG2  LYS  39           HG2      LYS  39 -13.162  -4.940  -7.022
  356    HG3  LYS  39           HG3      LYS  39 -13.000  -6.702  -6.875
  357    HD2  LYS  39           HD2      LYS  39 -11.742  -6.771  -9.012
  358    HD3  LYS  39           HD3      LYS  39 -11.898  -5.004  -9.162
  359    HE2  LYS  39           HE2      LYS  39 -10.680  -4.717  -7.017
  360    HE3  LYS  39           HE3      LYS  39 -10.515  -6.468  -6.862
  361    HZ1  LYS  39           HZ1      LYS  39  -9.339  -4.828  -9.059
  362    HZ2  LYS  39           HZ2      LYS  39  -8.510  -5.479  -7.815
  363    HZ3  LYS  39           HZ3      LYS  39  -9.191  -6.455  -8.931
  364    H    GLY  40           H        GLY  40 -16.909  -7.917  -8.848
  365    HA2  GLY  40           HA2      GLY  40 -18.389  -6.301 -10.760
  366    HA3  GLY  40           HA3      GLY  40 -18.467  -8.043 -10.558
  367    H    GLU  41           H        GLU  41 -19.193  -7.437  -7.532
  368    HA   GLU  41           HA       GLU  41 -21.789  -6.158  -7.720
  369    HB2  GLU  41           HB2      GLU  41 -22.444  -8.355  -8.595
  370    HB3  GLU  41           HB3      GLU  41 -21.658  -9.155  -7.248
  371    HG2  GLU  41           HG2      GLU  41 -23.954  -9.247  -6.787
  372    HG3  GLU  41           HG3      GLU  41 -23.299  -8.067  -5.670
  373    H    LYS  42           H        LYS  42 -21.628  -4.869  -6.040
  374    HA   LYS  42           HA       LYS  42 -20.577  -5.821  -3.419
  375    HB2  LYS  42           HB2      LYS  42 -21.268  -3.037  -4.397
  376    HB3  LYS  42           HB3      LYS  42 -20.572  -3.449  -2.823
  377    HG2  LYS  42           HG2      LYS  42 -18.519  -4.280  -3.880
  378    HG3  LYS  42           HG3      LYS  42 -19.190  -4.012  -5.492
  379    HD2  LYS  42           HD2      LYS  42 -19.383  -1.578  -5.022
  380    HD3  LYS  42           HD3      LYS  42 -18.632  -1.834  -3.435
  381    HE2  LYS  42           HE2      LYS  42 -16.575  -2.677  -4.508
  382    HE3  LYS  42           HE3      LYS  42 -17.335  -2.575  -6.105
  383    HZ1  LYS  42           HZ1      LYS  42 -15.930  -0.634  -5.687
  384    HZ2  LYS  42           HZ2      LYS  42 -17.481  -0.152  -5.824
  385    HZ3  LYS  42           HZ3      LYS  42 -16.771  -0.226  -4.348
  386    H    GLN  43           H        GLN  43 -22.697  -7.136  -3.750
  387    HA   GLN  43           HA       GLN  43 -25.239  -5.941  -3.089
  388    HB2  GLN  43           HB2      GLN  43 -25.980  -8.225  -2.702
  389    HB3  GLN  43           HB3      GLN  43 -25.208  -7.989  -4.263
  390    HG2  GLN  43           HG2      GLN  43 -24.508  -9.721  -1.970
  391    HG3  GLN  43           HG3      GLN  43 -24.641 -10.083  -3.675
  392   HE21  GLN  43          HE21      GLN  43 -21.169  -9.937  -4.140
  393   HE22  GLN  43          HE22      GLN  43 -22.681 -10.743  -4.564
  394    H    LEU  44           H        LEU  44 -22.825  -7.554  -1.064
  395    HA   LEU  44           HA       LEU  44 -24.417  -7.158   1.360
  396    HB2  LEU  44           HB2      LEU  44 -21.655  -8.282   0.780
  397    HB3  LEU  44           HB3      LEU  44 -22.389  -8.290   2.393
  398    HG   LEU  44           HG       LEU  44 -23.626  -9.636  -0.063
  399   HD11  LEU  44          HD11      LEU  44 -22.126 -10.898   2.262
  400   HD12  LEU  44          HD12      LEU  44 -22.851 -11.737   0.878
  401   HD13  LEU  44          HD13      LEU  44 -21.455 -10.671   0.625
  402   HD21  LEU  44          HD21      LEU  44 -24.331  -9.784   2.892
  403   HD22  LEU  44          HD22      LEU  44 -25.340  -9.139   1.572
  404   HD23  LEU  44          HD23      LEU  44 -24.976 -10.861   1.635
  405    HA   PRO  45           HA       PRO  45 -23.423  -3.284   2.791
  406    HB2  PRO  45           HB2      PRO  45 -22.035  -4.502   5.190
  407    HB3  PRO  45           HB3      PRO  45 -23.163  -3.105   5.143
  408    HG2  PRO  45           HG2      PRO  45 -24.114  -5.559   5.795
  409    HG3  PRO  45           HG3      PRO  45 -25.026  -4.548   4.625
  410    HD2  PRO  45           HD2      PRO  45 -23.201  -6.887   4.078
  411    HD3  PRO  45           HD3      PRO  45 -24.742  -6.429   3.284
  412    H    VAL  46           H        VAL  46 -22.010  -1.796   2.140
  413    HA   VAL  46           HA       VAL  46 -19.423  -2.606   1.296
  414    HB   VAL  46           HB       VAL  46 -19.370  -0.623  -0.001
  415   HG11  VAL  46          HG11      VAL  46 -21.352  -0.840  -1.315
  416   HG12  VAL  46          HG12      VAL  46 -20.972  -2.447  -0.671
  417   HG13  VAL  46          HG13      VAL  46 -22.286  -1.490   0.040
  418   HG21  VAL  46          HG21      VAL  46 -20.129   1.108   1.598
  419   HG22  VAL  46          HG22      VAL  46 -21.083   1.148   0.116
  420   HG23  VAL  46          HG23      VAL  46 -21.760   0.413   1.579
  421    H    LEU  47           H        LEU  47 -19.321  -2.588   4.090
  422    HA   LEU  47           HA       LEU  47 -17.872  -0.318   5.131
  423    HB2  LEU  47           HB2      LEU  47 -17.782  -3.234   6.001
  424    HB3  LEU  47           HB3      LEU  47 -17.214  -1.860   6.947
  425    HG   LEU  47           HG       LEU  47 -20.124  -2.346   6.144
  426   HD11  LEU  47          HD11      LEU  47 -18.691  -2.687   8.815
  427   HD12  LEU  47          HD12      LEU  47 -20.430  -2.886   8.522
  428   HD13  LEU  47          HD13      LEU  47 -19.277  -3.996   7.763
  429   HD21  LEU  47          HD21      LEU  47 -20.619  -0.582   7.819
  430   HD22  LEU  47          HD22      LEU  47 -18.878  -0.277   8.015
  431   HD23  LEU  47          HD23      LEU  47 -19.685   0.057   6.464
  432    H    ASP  48           H        ASP  48 -15.725   0.223   5.168
  433    HA   ASP  48           HA       ASP  48 -14.051  -1.045   3.181
  434    HB2  ASP  48           HB2      ASP  48 -12.568   0.916   3.497
  435    HB3  ASP  48           HB3      ASP  48 -14.195   1.211   2.930
  436    H    LYS  49           H        LYS  49 -14.277  -2.863   5.170
  437    HA   LYS  49           HA       LYS  49 -11.899  -2.773   6.919
  438    HB2  LYS  49           HB2      LYS  49 -13.878  -5.069   6.540
  439    HB3  LYS  49           HB3      LYS  49 -12.716  -4.840   7.848
  440    HG2  LYS  49           HG2      LYS  49 -14.055  -2.581   8.269
  441    HG3  LYS  49           HG3      LYS  49 -15.299  -3.368   7.303
  442    HD2  LYS  49           HD2      LYS  49 -15.920  -4.006   9.476
  443    HD3  LYS  49           HD3      LYS  49 -15.012  -5.408   8.935
  444    HE2  LYS  49           HE2      LYS  49 -14.084  -5.072  11.023
  445    HE3  LYS  49           HE3      LYS  49 -12.920  -4.219  10.025
  446    HZ1  LYS  49           HZ1      LYS  49 -13.644  -2.960  12.040
  447    HZ2  LYS  49           HZ2      LYS  49 -13.973  -2.105  10.670
  448    HZ3  LYS  49           HZ3      LYS  49 -15.172  -2.871  11.483
  449    H    THR  50           H        THR  50 -10.943  -2.557   4.396
  450    HA   THR  50           HA       THR  50 -10.625  -5.002   3.044
  451    HB   THR  50           HB       THR  50  -8.661  -2.914   2.447
  452    HG1  THR  50           HG1      THR  50 -11.429  -2.573   1.907
  453   HG21  THR  50          HG21      THR  50  -9.331  -3.266   0.128
  454   HG22  THR  50          HG22      THR  50  -8.897  -4.808   0.882
  455   HG23  THR  50          HG23      THR  50 -10.611  -4.382   0.640
  456    H    LYS  51           H        LYS  51  -8.670  -4.059   5.674
  457    HA   LYS  51           HA       LYS  51  -6.654  -6.164   4.958
  458    HB2  LYS  51           HB2      LYS  51  -4.860  -4.821   5.865
  459    HB3  LYS  51           HB3      LYS  51  -5.672  -3.955   4.560
  460    HG2  LYS  51           HG2      LYS  51  -6.951  -2.633   6.278
  461    HG3  LYS  51           HG3      LYS  51  -6.023  -3.425   7.555
  462    HD2  LYS  51           HD2      LYS  51  -4.845  -1.733   5.317
  463    HD3  LYS  51           HD3      LYS  51  -5.212  -1.146   6.941
  464    HE2  LYS  51           HE2      LYS  51  -3.623  -2.842   7.899
  465    HE3  LYS  51           HE3      LYS  51  -3.172  -3.324   6.255
  466    HZ1  LYS  51           HZ1      LYS  51  -2.279  -1.085   5.881
  467    HZ2  LYS  51           HZ2      LYS  51  -2.836  -0.554   7.337
  468    HZ3  LYS  51           HZ3      LYS  51  -1.629  -1.663   7.257
  469    H    PHE  52           H        PHE  52  -5.876  -7.441   6.509
  470    HA   PHE  52           HA       PHE  52  -6.686  -7.161   9.306
  471    HB2  PHE  52           HB2      PHE  52  -7.602  -9.400   7.533
  472    HB3  PHE  52           HB3      PHE  52  -7.359  -9.664   9.245
  473    HD1  PHE  52           HD1      PHE  52  -8.583  -8.203  10.953
  474    HD2  PHE  52           HD2      PHE  52  -9.608  -8.345   6.783
  475    HE1  PHE  52           HE1      PHE  52 -10.851  -7.319  11.483
  476    HE2  PHE  52           HE2      PHE  52 -11.881  -7.464   7.305
  477    HZ   PHE  52           HZ       PHE  52 -12.502  -6.974   9.660
  478    H    LEU  53           H        LEU  53  -5.696  -8.457  10.842
  479    HA   LEU  53           HA       LEU  53  -3.175  -9.858  10.064
  480    HB2  LEU  53           HB2      LEU  53  -3.683  -7.763  12.146
  481    HB3  LEU  53           HB3      LEU  53  -2.884  -9.197  12.736
  482    HG   LEU  53           HG       LEU  53  -1.032  -8.915  11.182
  483   HD11  LEU  53          HD11      LEU  53  -0.752  -6.888   9.828
  484   HD12  LEU  53          HD12      LEU  53  -2.166  -7.777   9.286
  485   HD13  LEU  53          HD13      LEU  53  -2.367  -6.328  10.296
  486   HD21  LEU  53          HD21      LEU  53  -0.239  -6.682  12.231
  487   HD22  LEU  53          HD22      LEU  53  -1.866  -6.534  12.885
  488   HD23  LEU  53          HD23      LEU  53  -0.855  -7.897  13.363
  489    H    VAL  54           H        VAL  54  -3.060 -11.926  10.966
  490    HA   VAL  54           HA       VAL  54  -5.178 -12.698  12.916
  491    HB   VAL  54           HB       VAL  54  -4.490 -14.543  10.647
  492   HG11  VAL  54          HG11      VAL  54  -6.667 -15.518  11.176
  493   HG12  VAL  54          HG12      VAL  54  -5.683 -15.416  12.647
  494   HG13  VAL  54          HG13      VAL  54  -6.989 -14.245  12.369
  495   HG21  VAL  54          HG21      VAL  54  -6.730 -12.487  10.562
  496   HG22  VAL  54          HG22      VAL  54  -5.316 -12.566   9.477
  497   HG23  VAL  54          HG23      VAL  54  -6.520 -13.854   9.442
  498    HA   PRO  55           HA       PRO  55  -1.657 -14.645  14.942
  499    HB2  PRO  55           HB2      PRO  55  -3.796 -16.214  16.369
  500    HB3  PRO  55           HB3      PRO  55  -2.351 -15.393  17.035
  501    HG2  PRO  55           HG2      PRO  55  -4.812 -14.261  17.269
  502    HG3  PRO  55           HG3      PRO  55  -3.387 -13.253  16.862
  503    HD2  PRO  55           HD2      PRO  55  -5.509 -14.346  14.996
  504    HD3  PRO  55           HD3      PRO  55  -4.777 -12.713  15.059
  505    H    ASP  56           H        ASP  56  -0.477 -16.439  14.434
  506    HA   ASP  56           HA       ASP  56  -1.131 -17.861  12.176
  507    HB2  ASP  56           HB2      ASP  56   0.849 -19.316  12.710
  508    HB3  ASP  56           HB3      ASP  56   1.104 -17.575  12.692
  509    H    HIS  57           H        HIS  57  -1.927 -18.948  15.378
  510    HA   HIS  57           HA       HIS  57  -2.585 -21.688  14.593
  511    HB2  HIS  57           HB2      HIS  57  -2.901 -20.099  17.163
  512    HB3  HIS  57           HB3      HIS  57  -3.560 -21.709  16.980
  513    HD1  HIS  57           HD1      HIS  57   0.016 -20.172  16.455
  514    HD2  HIS  57           HD2      HIS  57  -2.081 -23.534  17.949
  515    HE1  HIS  57           HE1      HIS  57   1.780 -21.748  17.460
  516    HE2  HIS  57           HE2      HIS  57   0.502 -23.803  18.357
  517    H    VAL  58           H        VAL  58  -4.377 -18.813  14.113
  518    HA   VAL  58           HA       VAL  58  -7.046 -19.841  14.669
  519    HB   VAL  58           HB       VAL  58  -6.127 -17.602  12.847
  520   HG11  VAL  58          HG11      VAL  58  -8.378 -18.280  12.160
  521   HG12  VAL  58          HG12      VAL  58  -8.928 -18.235  13.858
  522   HG13  VAL  58          HG13      VAL  58  -8.454 -16.748  13.020
  523   HG21  VAL  58          HG21      VAL  58  -5.603 -17.180  15.230
  524   HG22  VAL  58          HG22      VAL  58  -6.912 -16.122  14.690
  525   HG23  VAL  58          HG23      VAL  58  -7.279 -17.546  15.674
  526    H    ASN  59           H        ASN  59  -8.311 -21.186  13.447
  527    HA   ASN  59           HA       ASN  59  -7.323 -22.161  10.835
  528    HB2  ASN  59           HB2      ASN  59  -9.685 -22.958  12.583
  529    HB3  ASN  59           HB3      ASN  59  -9.301 -23.714  11.039
  530   HD21  ASN  59          HD21      ASN  59  -7.791 -25.715  13.839
  531   HD22  ASN  59          HD22      ASN  59  -9.417 -25.109  13.548
  532    H    MET  60           H        MET  60  -8.579 -22.141   8.870
  533    HA   MET  60           HA       MET  60  -9.670 -19.678   8.148
  534    HB2  MET  60           HB2      MET  60 -10.084 -22.457   6.999
  535    HB3  MET  60           HB3      MET  60 -10.884 -21.058   6.288
  536    HG2  MET  60           HG2      MET  60  -7.903 -21.527   6.515
  537    HG3  MET  60           HG3      MET  60  -8.901 -21.526   5.050
  538    HE1  MET  60           HE1      MET  60 -10.752 -18.851   5.555
  539    HE2  MET  60           HE2      MET  60  -9.784 -17.710   4.613
  540    HE3  MET  60           HE3      MET  60 -10.023 -19.355   4.002
  541    H    SER  61           H        SER  61 -11.678 -22.514   9.160
  542    HA   SER  61           HA       SER  61 -14.179 -21.194   8.960
  543    HB2  SER  61           HB2      SER  61 -13.944 -23.594   9.269
  544    HB3  SER  61           HB3      SER  61 -13.275 -23.358  10.897
  545    HG   SER  61           HG       SER  61 -15.552 -23.856  10.891
  546    H    GLU  62           H        GLU  62 -11.828 -21.114  11.673
  547    HA   GLU  62           HA       GLU  62 -13.576 -19.623  13.428
  548    HB2  GLU  62           HB2      GLU  62 -11.687 -21.075  14.192
  549    HB3  GLU  62           HB3      GLU  62 -10.554 -19.928  13.497
  550    HG2  GLU  62           HG2      GLU  62 -10.661 -19.528  15.836
  551    HG3  GLU  62           HG3      GLU  62 -11.412 -18.157  15.041
  552    H    LEU  63           H        LEU  63 -10.956 -18.597  11.179
  553    HA   LEU  63           HA       LEU  63 -11.212 -15.759  11.623
  554    HB2  LEU  63           HB2      LEU  63  -9.337 -16.670  10.365
  555    HB3  LEU  63           HB3      LEU  63 -10.416 -17.420   9.198
  556    HG   LEU  63           HG       LEU  63 -11.139 -15.146   8.407
  557   HD11  LEU  63          HD11      LEU  63  -8.879 -14.198  10.228
  558   HD12  LEU  63          HD12      LEU  63  -9.694 -13.209   8.990
  559   HD13  LEU  63          HD13      LEU  63 -10.599 -13.794  10.396
  560   HD21  LEU  63          HD21      LEU  63  -9.107 -14.671   7.135
  561   HD22  LEU  63          HD22      LEU  63  -8.144 -15.656   8.267
  562   HD23  LEU  63          HD23      LEU  63  -9.389 -16.414   7.240
  563    H    ILE  64           H        ILE  64 -12.935 -17.968   9.398
  564    HA   ILE  64           HA       ILE  64 -14.552 -15.967   8.153
  565    HB   ILE  64           HB       ILE  64 -14.783 -18.972   8.435
  566   HG12  ILE  64          HG12      ILE  64 -14.208 -17.163   6.059
  567   HG13  ILE  64          HG13      ILE  64 -12.942 -17.820   7.057
  568   HG21  ILE  64          HG21      ILE  64 -16.612 -17.174   6.777
  569   HG22  ILE  64          HG22      ILE  64 -16.532 -18.954   6.685
  570   HG23  ILE  64          HG23      ILE  64 -17.102 -18.189   8.158
  571   HD11  ILE  64          HD11      ILE  64 -14.784 -19.332   5.207
  572   HD12  ILE  64          HD12      ILE  64 -13.027 -19.240   5.183
  573   HD13  ILE  64          HD13      ILE  64 -13.828 -20.159   6.474
  574    H    LYS  65           H        LYS  65 -15.208 -17.898  11.107
  575    HA   LYS  65           HA       LYS  65 -17.810 -16.833  11.638
  576    HB2  LYS  65           HB2      LYS  65 -15.621 -17.893  13.454
  577    HB3  LYS  65           HB3      LYS  65 -17.187 -17.356  14.075
  578    HG2  LYS  65           HG2      LYS  65 -18.389 -19.056  12.956
  579    HG3  LYS  65           HG3      LYS  65 -17.067 -19.401  11.842
  580    HD2  LYS  65           HD2      LYS  65 -17.251 -21.194  13.473
  581    HD3  LYS  65           HD3      LYS  65 -15.713 -20.346  13.647
  582    HE2  LYS  65           HE2      LYS  65 -16.829 -18.989  15.535
  583    HE3  LYS  65           HE3      LYS  65 -18.178 -20.129  15.434
  584    HZ1  LYS  65           HZ1      LYS  65 -16.535 -21.923  15.907
  585    HZ2  LYS  65           HZ2      LYS  65 -15.335 -20.799  16.047
  586    HZ3  LYS  65           HZ3      LYS  65 -16.574 -20.826  17.117
  587    H    ILE  66           H        ILE  66 -14.645 -15.496  12.813
  588    HA   ILE  66           HA       ILE  66 -15.987 -13.244  14.049
  589    HB   ILE  66           HB       ILE  66 -13.916 -13.818  14.933
  590   HG12  ILE  66          HG12      ILE  66 -14.556 -11.340  14.811
  591   HG13  ILE  66          HG13      ILE  66 -12.933 -11.787  15.290
  592   HG21  ILE  66          HG21      ILE  66 -12.727 -14.829  13.116
  593   HG22  ILE  66          HG22      ILE  66 -12.583 -13.290  12.246
  594   HG23  ILE  66          HG23      ILE  66 -11.733 -13.547  13.787
  595   HD11  ILE  66          HD11      ILE  66 -12.828  -9.831  13.885
  596   HD12  ILE  66          HD12      ILE  66 -12.055 -11.174  13.050
  597   HD13  ILE  66          HD13      ILE  66 -13.673 -10.642  12.564
  598    H    ILE  67           H        ILE  67 -14.517 -13.579  10.793
  599    HA   ILE  67           HA       ILE  67 -15.062 -10.863  10.004
  600    HB   ILE  67           HB       ILE  67 -14.716 -13.426   8.405
  601   HG12  ILE  67          HG12      ILE  67 -12.713 -12.695   9.654
  602   HG13  ILE  67          HG13      ILE  67 -12.485 -12.621   7.921
  603   HG21  ILE  67          HG21      ILE  67 -15.974 -11.970   6.948
  604   HG22  ILE  67          HG22      ILE  67 -14.945 -10.577   7.341
  605   HG23  ILE  67          HG23      ILE  67 -14.293 -11.956   6.426
  606   HD11  ILE  67          HD11      ILE  67 -12.728 -10.145   8.010
  607   HD12  ILE  67          HD12      ILE  67 -12.963 -10.242   9.775
  608   HD13  ILE  67          HD13      ILE  67 -11.428 -10.736   9.054
  609    H    ARG  68           H        ARG  68 -17.098 -13.818   9.628
  610    HA   ARG  68           HA       ARG  68 -19.324 -12.553   8.403
  611    HB2  ARG  68           HB2      ARG  68 -18.976 -15.018   8.614
  612    HB3  ARG  68           HB3      ARG  68 -19.293 -14.901  10.349
  613    HG2  ARG  68           HG2      ARG  68 -21.610 -13.932   9.683
  614    HG3  ARG  68           HG3      ARG  68 -21.234 -14.451   8.042
  615    HD2  ARG  68           HD2      ARG  68 -21.312 -16.251  10.494
  616    HD3  ARG  68           HD3      ARG  68 -22.645 -16.034   9.377
  617    HE   ARG  68           HE       ARG  68 -20.055 -17.425   8.858
  618   HH11  ARG  68          HH11      ARG  68 -23.284 -16.745   7.670
  619   HH12  ARG  68          HH12      ARG  68 -23.246 -18.073   6.542
  620   HH21  ARG  68          HH21      ARG  68 -20.069 -19.089   7.365
  621   HH22  ARG  68          HH22      ARG  68 -21.466 -19.326   6.359
  622    H    ARG  69           H        ARG  69 -18.567 -12.898  11.882
  623    HA   ARG  69           HA       ARG  69 -20.954 -11.570  12.825
  624    HB2  ARG  69           HB2      ARG  69 -19.658 -13.149  14.178
  625    HB3  ARG  69           HB3      ARG  69 -18.266 -12.055  14.179
  626    HG2  ARG  69           HG2      ARG  69 -19.527 -10.370  15.453
  627    HG3  ARG  69           HG3      ARG  69 -21.004 -11.340  15.327
  628    HD2  ARG  69           HD2      ARG  69 -19.912 -13.160  16.647
  629    HD3  ARG  69           HD3      ARG  69 -18.442 -12.192  16.744
  630    HE   ARG  69           HE       ARG  69 -19.426 -10.739  18.284
  631   HH11  ARG  69          HH11      ARG  69 -21.862 -13.080  17.321
  632   HH12  ARG  69          HH12      ARG  69 -22.876 -12.706  18.686
  633   HH21  ARG  69          HH21      ARG  69 -20.786 -10.285  19.956
  634   HH22  ARG  69          HH22      ARG  69 -22.285 -11.147  20.127
  635    H    ARG  70           H        ARG  70 -17.665 -10.297  12.188
  636    HA   ARG  70           HA       ARG  70 -18.266  -7.680  13.253
  637    HB2  ARG  70           HB2      ARG  70 -15.987  -8.807  12.985
  638    HB3  ARG  70           HB3      ARG  70 -16.023  -8.307  11.284
  639    HG2  ARG  70           HG2      ARG  70 -15.996  -6.012  11.833
  640    HG3  ARG  70           HG3      ARG  70 -16.489  -6.277  13.503
  641    HD2  ARG  70           HD2      ARG  70 -13.835  -7.357  12.489
  642    HD3  ARG  70           HD3      ARG  70 -14.001  -5.696  13.047
  643    HE   ARG  70           HE       ARG  70 -14.404  -8.142  14.713
  644   HH11  ARG  70          HH11      ARG  70 -13.677  -4.627  14.672
  645   HH12  ARG  70          HH12      ARG  70 -13.482  -4.690  16.415
  646   HH21  ARG  70          HH21      ARG  70 -13.967  -7.903  16.944
  647   HH22  ARG  70          HH22      ARG  70 -13.521  -6.300  17.510
  648    H    LEU  71           H        LEU  71 -18.525  -9.021   9.996
  649    HA   LEU  71           HA       LEU  71 -19.383  -6.520   8.728
  650    HB2  LEU  71           HB2      LEU  71 -19.696  -9.458   7.978
  651    HB3  LEU  71           HB3      LEU  71 -20.216  -8.131   6.947
  652    HG   LEU  71           HG       LEU  71 -17.314  -8.539   7.805
  653   HD11  LEU  71          HD11      LEU  71 -18.100 -10.439   6.453
  654   HD12  LEU  71          HD12      LEU  71 -18.749  -9.327   5.233
  655   HD13  LEU  71          HD13      LEU  71 -16.998  -9.421   5.511
  656   HD21  LEU  71          HD21      LEU  71 -16.867  -7.040   5.864
  657   HD22  LEU  71          HD22      LEU  71 -18.616  -6.784   5.676
  658   HD23  LEU  71          HD23      LEU  71 -17.771  -6.226   7.146
  659    H    GLN  72           H        GLN  72 -21.581  -5.919   8.232
  660    HA   GLN  72           HA       GLN  72 -23.465  -6.631  10.306
  661    HB2  GLN  72           HB2      GLN  72 -23.612  -4.626   8.045
  662    HB3  GLN  72           HB3      GLN  72 -24.886  -4.873   9.251
  663    HG2  GLN  72           HG2      GLN  72 -23.289  -4.377  11.085
  664    HG3  GLN  72           HG3      GLN  72 -22.012  -4.080   9.905
  665   HE21  GLN  72          HE21      GLN  72 -25.054  -1.301  10.279
  666   HE22  GLN  72          HE22      GLN  72 -25.290  -2.917  10.921
  667    H    LEU  73           H        LEU  73 -23.171  -8.929   9.168
  668    HA   LEU  73           HA       LEU  73 -25.214  -9.501   7.116
  669    HB2  LEU  73           HB2      LEU  73 -23.354 -11.345   8.661
  670    HB3  LEU  73           HB3      LEU  73 -24.326 -11.801   7.268
  671    HG   LEU  73           HG       LEU  73 -22.040  -9.784   7.211
  672   HD11  LEU  73          HD11      LEU  73 -21.325 -12.104   7.589
  673   HD12  LEU  73          HD12      LEU  73 -22.218 -12.623   6.147
  674   HD13  LEU  73          HD13      LEU  73 -20.825 -11.514   6.001
  675   HD21  LEU  73          HD21      LEU  73 -23.695 -10.984   4.949
  676   HD22  LEU  73          HD22      LEU  73 -23.684  -9.273   5.454
  677   HD23  LEU  73          HD23      LEU  73 -22.228  -9.984   4.750
  678    H    ASN  74           H        ASN  74 -26.567 -11.497   7.512
  679    HA   ASN  74           HA       ASN  74 -27.784 -11.796  10.168
  680    HB2  ASN  74           HB2      ASN  74 -28.826  -9.713   9.267
  681    HB3  ASN  74           HB3      ASN  74 -29.266 -10.562   7.788
  682   HD21  ASN  74          HD21      ASN  74 -31.663 -10.871  11.042
  683   HD22  ASN  74          HD22      ASN  74 -30.175  -9.943  11.111
  684    H    ALA  75           H        ALA  75 -29.288 -13.673  10.172
  685    HA   ALA  75           HA       ALA  75 -28.421 -15.864   8.637
  686    HB1  ALA  75           HB1      ALA  75 -29.544 -15.994  10.831
  687    HB2  ALA  75           HB2      ALA  75 -31.073 -15.453  10.092
  688    HB3  ALA  75           HB3      ALA  75 -30.363 -17.014   9.636
  689    H    ASN  76           H        ASN  76 -30.881 -13.496   7.769
  690    HA   ASN  76           HA       ASN  76 -32.037 -15.044   5.579
  691    HB2  ASN  76           HB2      ASN  76 -32.163 -12.090   6.338
  692    HB3  ASN  76           HB3      ASN  76 -33.063 -12.812   5.010
  693   HD21  ASN  76          HD21      ASN  76 -34.487 -13.252   8.770
  694   HD22  ASN  76          HD22      ASN  76 -32.948 -12.434   8.478
  695    H    GLN  77           H        GLN  77 -29.058 -13.253   5.828
  696    HA   GLN  77           HA       GLN  77 -28.951 -12.638   2.936
  697    HB2  GLN  77           HB2      GLN  77 -27.050 -12.045   5.237
  698    HB3  GLN  77           HB3      GLN  77 -26.666 -11.708   3.558
  699    HG2  GLN  77           HG2      GLN  77 -29.025 -10.527   5.084
  700    HG3  GLN  77           HG3      GLN  77 -27.507  -9.702   4.746
  701   HE21  GLN  77          HE21      GLN  77 -30.141  -8.839   2.121
  702   HE22  GLN  77          HE22      GLN  77 -30.220  -8.854   3.878
  703    H    ALA  78           H        ALA  78 -27.755 -13.662   1.452
  704    HA   ALA  78           HA       ALA  78 -26.413 -16.208   2.101
  705    HB1  ALA  78           HB1      ALA  78 -26.077 -16.299  -0.353
  706    HB2  ALA  78           HB2      ALA  78 -27.782 -16.033   0.074
  707    HB3  ALA  78           HB3      ALA  78 -26.793 -14.678  -0.506
  708    H    PHE  79           H        PHE  79 -24.230 -16.453   2.351
  709    HA   PHE  79           HA       PHE  79 -22.354 -14.378   1.507
  710    HB2  PHE  79           HB2      PHE  79 -22.798 -13.315   3.471
  711    HB3  PHE  79           HB3      PHE  79 -23.038 -14.804   4.364
  712    HD1  PHE  79           HD1      PHE  79 -21.173 -16.102   5.278
  713    HD2  PHE  79           HD2      PHE  79 -20.512 -12.393   3.194
  714    HE1  PHE  79           HE1      PHE  79 -18.888 -15.970   6.247
  715    HE2  PHE  79           HE2      PHE  79 -18.226 -12.254   4.176
  716    HZ   PHE  79           HZ       PHE  79 -17.418 -14.035   5.703
  717    H    PHE  80           H        PHE  80 -20.391 -14.929   0.982
  718    HA   PHE  80           HA       PHE  80 -19.237 -17.453   1.982
  719    HB2  PHE  80           HB2      PHE  80 -19.516 -16.773  -0.956
  720    HB3  PHE  80           HB3      PHE  80 -18.414 -17.982  -0.322
  721    HD1  PHE  80           HD1      PHE  80 -21.896 -17.244  -1.107
  722    HD2  PHE  80           HD2      PHE  80 -19.243 -20.062   0.779
  723    HE1  PHE  80           HE1      PHE  80 -23.700 -18.954  -1.151
  724    HE2  PHE  80           HE2      PHE  80 -21.036 -21.786   0.728
  725    HZ   PHE  80           HZ       PHE  80 -23.267 -21.236  -0.237
  726    H    LEU  81           H        LEU  81 -17.214 -17.295   2.634
  727    HA   LEU  81           HA       LEU  81 -15.545 -14.997   1.744
  728    HB2  LEU  81           HB2      LEU  81 -15.857 -15.287   4.146
  729    HB3  LEU  81           HB3      LEU  81 -15.241 -16.925   4.063
  730    HG   LEU  81           HG       LEU  81 -13.683 -15.244   5.018
  731   HD11  LEU  81          HD11      LEU  81 -11.720 -16.090   4.175
  732   HD12  LEU  81          HD12      LEU  81 -12.873 -17.362   3.754
  733   HD13  LEU  81          HD13      LEU  81 -12.304 -16.212   2.515
  734   HD21  LEU  81          HD21      LEU  81 -13.407 -14.087   2.226
  735   HD22  LEU  81          HD22      LEU  81 -14.276 -13.338   3.584
  736   HD23  LEU  81          HD23      LEU  81 -12.524 -13.626   3.690
  737    H    LEU  82           H        LEU  82 -13.936 -15.271   0.392
  738    HA   LEU  82           HA       LEU  82 -13.329 -18.000  -0.610
  739    HB2  LEU  82           HB2      LEU  82 -13.214 -15.501  -2.279
  740    HB3  LEU  82           HB3      LEU  82 -13.481 -17.150  -2.789
  741    HG   LEU  82           HG       LEU  82 -15.553 -15.389  -1.398
  742   HD11  LEU  82          HD11      LEU  82 -15.316 -16.189  -4.319
  743   HD12  LEU  82          HD12      LEU  82 -16.605 -15.219  -3.584
  744   HD13  LEU  82          HD13      LEU  82 -14.959 -14.575  -3.656
  745   HD21  LEU  82          HD21      LEU  82 -16.039 -17.776  -1.043
  746   HD22  LEU  82          HD22      LEU  82 -17.165 -17.081  -2.208
  747   HD23  LEU  82          HD23      LEU  82 -15.829 -18.088  -2.783
  748    H    VAL  83           H        VAL  83 -11.182 -18.495  -1.124
  749    HA   VAL  83           HA       VAL  83  -9.066 -16.386  -0.621
  750    HB   VAL  83           HB       VAL  83  -8.992 -19.418  -0.414
  751   HG11  VAL  83          HG11      VAL  83  -6.983 -18.843  -1.670
  752   HG12  VAL  83          HG12      VAL  83  -6.622 -17.502  -0.552
  753   HG13  VAL  83          HG13      VAL  83  -6.541 -19.192   0.002
  754   HG21  VAL  83          HG21      VAL  83  -8.075 -17.211   1.479
  755   HG22  VAL  83          HG22      VAL  83  -9.643 -18.051   1.608
  756   HG23  VAL  83          HG23      VAL  83  -8.123 -18.946   1.826
  757    H    ASN  84           H        ASN  84  -8.131 -15.639  -2.473
  758    HA   ASN  84           HA       ASN  84  -8.291 -15.122  -4.714
  759    HB2  ASN  84           HB2      ASN  84  -6.811 -17.743  -4.476
  760    HB3  ASN  84           HB3      ASN  84  -7.026 -17.008  -6.059
  761   HD21  ASN  84          HD21      ASN  84  -3.832 -15.705  -4.684
  762   HD22  ASN  84          HD22      ASN  84  -4.475 -17.362  -4.770
  763    H    GLY  85           H        GLY  85 -10.692 -15.384  -4.164
  764    HA2  GLY  85           HA2      GLY  85 -12.715 -15.429  -5.195
  765    HA3  GLY  85           HA3      GLY  85 -11.914 -15.988  -6.664
  766    H    HIS  86           H        HIS  86 -11.360 -18.285  -4.163
  767    HA   HIS  86           HA       HIS  86 -13.843 -19.833  -4.860
  768    HB2  HIS  86           HB2      HIS  86 -11.026 -20.906  -4.508
  769    HB3  HIS  86           HB3      HIS  86 -12.473 -21.873  -4.770
  770    HD1  HIS  86           HD1      HIS  86 -10.156 -19.451  -6.709
  771    HD2  HIS  86           HD2      HIS  86 -13.561 -21.912  -7.221
  772    HE1  HIS  86           HE1      HIS  86 -10.545 -19.641  -9.248
  773    HE2  HIS  86           HE2      HIS  86 -12.620 -21.141  -9.554
  774    H    SER  87           H        SER  87 -15.009 -20.683  -3.252
  775    HA   SER  87           HA       SER  87 -14.806 -19.611  -0.700
  776    HB2  SER  87           HB2      SER  87 -16.904 -20.347  -1.606
  777    HB3  SER  87           HB3      SER  87 -16.344 -22.031  -1.651
  778    HG   SER  87           HG       SER  87 -17.561 -21.769   0.197
  779    H    MET  88           H        MET  88 -14.188 -20.138   1.264
  780    HA   MET  88           HA       MET  88 -12.839 -22.772   1.758
  781    HB2  MET  88           HB2      MET  88 -11.966 -20.017   2.692
  782    HB3  MET  88           HB3      MET  88 -11.280 -21.523   3.318
  783    HG2  MET  88           HG2      MET  88 -11.196 -20.630   0.415
  784    HG3  MET  88           HG3      MET  88  -9.879 -20.537   1.581
  785    HE1  MET  88           HE1      MET  88  -8.302 -21.745  -0.258
  786    HE2  MET  88           HE2      MET  88  -8.744 -23.283  -1.023
  787    HE3  MET  88           HE3      MET  88  -9.719 -21.831  -1.336
  788    H    VAL  89           H        VAL  89 -15.674 -21.527   2.430
  789    HA   VAL  89           HA       VAL  89 -15.732 -21.281   5.278
  790    HB   VAL  89           HB       VAL  89 -18.055 -21.172   5.205
  791   HG11  VAL  89          HG11      VAL  89 -16.892 -19.269   4.096
  792   HG12  VAL  89          HG12      VAL  89 -17.140 -20.054   2.519
  793   HG13  VAL  89          HG13      VAL  89 -18.533 -19.542   3.492
  794   HG21  VAL  89          HG21      VAL  89 -17.992 -22.521   2.484
  795   HG22  VAL  89          HG22      VAL  89 -18.672 -23.178   3.990
  796   HG23  VAL  89          HG23      VAL  89 -19.428 -21.777   3.227
  797    H    SER  90           H        SER  90 -15.655 -24.205   3.442
  798    HA   SER  90           HA       SER  90 -16.513 -25.868   5.730
  799    HB2  SER  90           HB2      SER  90 -16.278 -27.704   4.104
  800    HB3  SER  90           HB3      SER  90 -17.332 -26.410   3.511
  801    HG   SER  90           HG       SER  90 -15.819 -27.111   1.911
  802    H    VAL  91           H        VAL  91 -13.516 -24.504   4.761
  803    HA   VAL  91           HA       VAL  91 -12.010 -26.951   5.240
  804    HB   VAL  91           HB       VAL  91 -11.634 -25.219   3.340
  805   HG11  VAL  91          HG11      VAL  91  -9.771 -23.738   3.670
  806   HG12  VAL  91          HG12      VAL  91 -11.016 -23.335   4.866
  807   HG13  VAL  91          HG13      VAL  91  -9.564 -24.245   5.351
  808   HG21  VAL  91          HG21      VAL  91  -9.357 -26.093   3.067
  809   HG22  VAL  91          HG22      VAL  91  -9.368 -26.697   4.733
  810   HG23  VAL  91          HG23      VAL  91 -10.493 -27.363   3.529
  811    H    SER  92           H        SER  92 -10.482 -27.485   6.693
  812    HA   SER  92           HA       SER  92 -10.691 -26.178   9.308
  813    HB2  SER  92           HB2      SER  92  -9.517 -28.203  10.073
  814    HB3  SER  92           HB3      SER  92 -10.958 -28.574   9.110
  815    HG   SER  92           HG       SER  92  -9.129 -29.849   8.483
  816    H    THR  93           H        THR  93  -8.446 -25.879   6.728
  817    HA   THR  93           HA       THR  93  -6.023 -26.058   7.841
  818    HB   THR  93           HB       THR  93  -6.444 -23.863   5.864
  819    HG1  THR  93           HG1      THR  93  -6.602 -25.519   4.273
  820   HG21  THR  93          HG21      THR  93  -4.394 -26.111   6.053
  821   HG22  THR  93          HG22      THR  93  -4.461 -24.880   4.779
  822   HG23  THR  93          HG23      THR  93  -4.105 -24.396   6.439
  823    HA   PRO  94           HA       PRO  94  -5.272 -22.546  10.577
  824    HB2  PRO  94           HB2      PRO  94  -2.567 -22.773  10.934
  825    HB3  PRO  94           HB3      PRO  94  -3.767 -23.838  11.733
  826    HG2  PRO  94           HG2      PRO  94  -2.208 -24.379   9.189
  827    HG3  PRO  94           HG3      PRO  94  -2.397 -25.445  10.617
  828    HD2  PRO  94           HD2      PRO  94  -3.934 -25.742   8.412
  829    HD3  PRO  94           HD3      PRO  94  -4.643 -25.950  10.036
  830    H    ILE  95           H        ILE  95  -4.828 -20.446  10.212
  831    HA   ILE  95           HA       ILE  95  -4.736 -19.566   7.574
  832    HB   ILE  95           HB       ILE  95  -5.772 -18.393   9.482
  833   HG12  ILE  95          HG12      ILE  95  -5.234 -16.082   8.913
  834   HG13  ILE  95          HG13      ILE  95  -3.778 -16.573   8.053
  835   HG21  ILE  95          HG21      ILE  95  -4.511 -17.029  11.035
  836   HG22  ILE  95          HG22      ILE  95  -3.870 -18.664  11.137
  837   HG23  ILE  95          HG23      ILE  95  -2.979 -17.409  10.251
  838   HD11  ILE  95          HD11      ILE  95  -6.604 -17.444   7.303
  839   HD12  ILE  95          HD12      ILE  95  -5.750 -16.066   6.589
  840   HD13  ILE  95          HD13      ILE  95  -5.123 -17.703   6.348
  841    H    SER  96           H        SER  96  -1.950 -19.937   9.739
  842    HA   SER  96           HA       SER  96  -0.048 -18.442   8.192
  843    HB2  SER  96           HB2      SER  96   0.340 -19.153  10.495
  844    HB3  SER  96           HB3      SER  96   0.345 -20.858  10.000
  845    HG   SER  96           HG       SER  96   2.485 -20.035  10.151
  846    H    GLU  97           H        GLU  97  -1.076 -21.886   7.945
  847    HA   GLU  97           HA       GLU  97   0.855 -22.521   5.860
  848    HB2  GLU  97           HB2      GLU  97  -1.700 -23.906   6.757
  849    HB3  GLU  97           HB3      GLU  97  -0.599 -24.566   5.555
  850    HG2  GLU  97           HG2      GLU  97   0.129 -23.935   8.455
  851    HG3  GLU  97           HG3      GLU  97  -0.304 -25.524   7.835
  852    H    VAL  98           H        VAL  98  -2.577 -21.498   5.841
  853    HA   VAL  98           HA       VAL  98  -2.896 -21.561   2.977
  854    HB   VAL  98           HB       VAL  98  -4.258 -19.595   4.837
  855   HG11  VAL  98          HG11      VAL  98  -5.126 -20.814   2.179
  856   HG12  VAL  98          HG12      VAL  98  -6.062 -19.664   3.166
  857   HG13  VAL  98          HG13      VAL  98  -4.552 -19.150   2.402
  858   HG21  VAL  98          HG21      VAL  98  -4.657 -21.840   5.742
  859   HG22  VAL  98          HG22      VAL  98  -6.109 -21.246   4.943
  860   HG23  VAL  98          HG23      VAL  98  -5.082 -22.440   4.122
  861    H    TYR  99           H        TYR  99  -1.710 -18.978   5.149
  862    HA   TYR  99           HA       TYR  99  -1.118 -17.129   3.080
  863    HB2  TYR  99           HB2      TYR  99  -1.350 -16.139   5.095
  864    HB3  TYR  99           HB3      TYR  99  -0.433 -17.370   5.938
  865    HD1  TYR  99           HD1      TYR  99   1.815 -17.145   6.463
  866    HD2  TYR  99           HD2      TYR  99  -0.017 -14.411   3.680
  867    HE1  TYR  99           HE1      TYR  99   3.765 -15.637   6.663
  868    HE2  TYR  99           HE2      TYR  99   1.993 -12.934   3.818
  869    HH   TYR  99           HH       TYR  99   4.058 -12.601   4.747
  870    H    GLU 100           H        GLU 100   1.304 -19.290   4.645
  871    HA   GLU 100           HA       GLU 100   3.388 -18.406   2.893
  872    HB2  GLU 100           HB2      GLU 100   3.003 -20.926   4.526
  873    HB3  GLU 100           HB3      GLU 100   4.450 -20.665   3.571
  874    HG2  GLU 100           HG2      GLU 100   3.476 -18.757   5.740
  875    HG3  GLU 100           HG3      GLU 100   4.642 -20.044   6.003
  876    H    SER 101           H        SER 101   0.816 -20.725   2.280
  877    HA   SER 101           HA       SER 101   2.051 -21.764  -0.173
  878    HB2  SER 101           HB2      SER 101   0.635 -23.167   1.260
  879    HB3  SER 101           HB3      SER 101  -0.744 -22.086   0.977
  880    HG   SER 101           HG       SER 101  -0.699 -23.972  -0.411
  881    H    GLU 102           H        GLU 102  -0.645 -19.477   0.571
  882    HA   GLU 102           HA       GLU 102  -0.934 -18.910  -2.350
  883    HB2  GLU 102           HB2      GLU 102  -2.691 -20.231  -1.035
  884    HB3  GLU 102           HB3      GLU 102  -3.067 -18.732  -0.214
  885    HG2  GLU 102           HG2      GLU 102  -4.662 -19.189  -1.928
  886    HG3  GLU 102           HG3      GLU 102  -3.804 -17.727  -2.344
  887    H    LYS 103           H        LYS 103   0.578 -17.298   0.034
  888    HA   LYS 103           HA       LYS 103  -0.471 -14.648  -0.358
  889    HB2  LYS 103           HB2      LYS 103   1.658 -13.816   0.443
  890    HB3  LYS 103           HB3      LYS 103   1.064 -15.110   1.470
  891    HG2  LYS 103           HG2      LYS 103   2.647 -16.695   0.204
  892    HG3  LYS 103           HG3      LYS 103   3.303 -15.258  -0.595
  893    HD2  LYS 103           HD2      LYS 103   3.952 -14.318   1.614
  894    HD3  LYS 103           HD3      LYS 103   3.196 -15.702   2.420
  895    HE2  LYS 103           HE2      LYS 103   5.565 -16.060   2.412
  896    HE3  LYS 103           HE3      LYS 103   4.807 -17.250   1.355
  897    HZ1  LYS 103           HZ1      LYS 103   6.811 -16.280   0.363
  898    HZ2  LYS 103           HZ2      LYS 103   5.523 -15.921  -0.570
  899    HZ3  LYS 103           HZ3      LYS 103   6.184 -14.780   0.405
  900    H    ASP 104           H        ASP 104   0.015 -13.046  -1.747
  901    HA   ASP 104           HA       ASP 104   1.216 -13.889  -4.336
  902    HB2  ASP 104           HB2      ASP 104  -1.393 -12.554  -3.762
  903    HB3  ASP 104           HB3      ASP 104  -0.625 -12.360  -5.334
  904    H    GLU 105           H        GLU 105   0.906 -11.401  -5.728
  905    HA   GLU 105           HA       GLU 105   3.580 -10.656  -5.512
  906    HB2  GLU 105           HB2      GLU 105   1.247  -9.063  -6.650
  907    HB3  GLU 105           HB3      GLU 105   2.935  -8.698  -6.961
  908    HG2  GLU 105           HG2      GLU 105   1.515 -11.287  -7.735
  909    HG3  GLU 105           HG3      GLU 105   1.838  -9.933  -8.806
  910    H    ASP 106           H        ASP 106   0.859  -8.997  -3.889
  911    HA   ASP 106           HA       ASP 106   2.399  -6.818  -2.828
  912    HB2  ASP 106           HB2      ASP 106  -0.160  -8.112  -1.870
  913    HB3  ASP 106           HB3      ASP 106   0.566  -6.691  -1.124
  914    H    GLY 107           H        GLY 107   2.640 -10.088  -2.047
  915    HA2  GLY 107           HA2      GLY 107   4.061 -11.133  -0.558
  916    HA3  GLY 107           HA3      GLY 107   4.245  -9.657   0.378
  917    H    PHE 108           H        PHE 108   0.987  -9.827   0.148
  918    HA   PHE 108           HA       PHE 108   0.672 -11.592   2.504
  919    HB2  PHE 108           HB2      PHE 108  -1.414 -10.244   3.015
  920    HB3  PHE 108           HB3      PHE 108   0.179  -9.602   3.339
  921    HD1  PHE 108           HD1      PHE 108  -2.215  -9.613   0.405
  922    HD2  PHE 108           HD2      PHE 108   0.371  -7.324   2.999
  923    HE1  PHE 108           HE1      PHE 108  -2.865  -7.529  -0.759
  924    HE2  PHE 108           HE2      PHE 108  -0.293  -5.255   1.840
  925    HZ   PHE 108           HZ       PHE 108  -1.906  -5.363  -0.072
  926    H    LEU 109           H        LEU 109  -1.533 -12.490   2.959
  927    HA   LEU 109           HA       LEU 109  -2.316 -14.164   0.672
  928    HB2  LEU 109           HB2      LEU 109  -2.147 -15.133   2.886
  929    HB3  LEU 109           HB3      LEU 109  -3.254 -13.929   3.544
  930    HG   LEU 109           HG       LEU 109  -5.119 -14.878   2.222
  931   HD11  LEU 109          HD11      LEU 109  -3.060 -16.987   1.398
  932   HD12  LEU 109          HD12      LEU 109  -4.815 -17.097   1.131
  933   HD13  LEU 109          HD13      LEU 109  -3.883 -15.857   0.299
  934   HD21  LEU 109          HD21      LEU 109  -3.580 -16.955   3.853
  935   HD22  LEU 109          HD22      LEU 109  -4.608 -15.670   4.519
  936   HD23  LEU 109          HD23      LEU 109  -5.322 -16.953   3.519
  937    H    TYR 110           H        TYR 110  -3.834 -13.645  -0.773
  938    HA   TYR 110           HA       TYR 110  -5.768 -11.517  -0.211
  939    HB2  TYR 110           HB2      TYR 110  -4.909 -12.855  -2.720
  940    HB3  TYR 110           HB3      TYR 110  -6.499 -12.136  -2.646
  941    HD1  TYR 110           HD1      TYR 110  -6.870  -9.778  -2.631
  942    HD2  TYR 110           HD2      TYR 110  -2.862 -11.365  -2.423
  943    HE1  TYR 110           HE1      TYR 110  -5.956  -7.553  -3.260
  944    HE2  TYR 110           HE2      TYR 110  -1.953  -9.140  -3.082
  945    HH   TYR 110           HH       TYR 110  -2.457  -7.005  -3.779
  946    H    MET 111           H        MET 111  -7.798 -11.598   0.240
  947    HA   MET 111           HA       MET 111  -9.351 -14.079  -0.296
  948    HB2  MET 111           HB2      MET 111  -9.671 -12.246   2.114
  949    HB3  MET 111           HB3      MET 111 -10.689 -13.638   1.710
  950    HG2  MET 111           HG2      MET 111  -8.588 -15.063   1.836
  951    HG3  MET 111           HG3      MET 111  -7.758 -13.658   2.517
  952    HE1  MET 111           HE1      MET 111  -6.946 -15.197   4.400
  953    HE2  MET 111           HE2      MET 111  -8.010 -16.162   5.443
  954    HE3  MET 111           HE3      MET 111  -7.856 -16.565   3.726
  955    H    VAL 112           H        VAL 112 -11.481 -13.798  -0.964
  956    HA   VAL 112           HA       VAL 112 -12.405 -11.028  -1.546
  957    HB   VAL 112           HB       VAL 112 -12.775 -13.423  -3.368
  958   HG11  VAL 112          HG11      VAL 112 -14.799 -12.022  -3.451
  959   HG12  VAL 112          HG12      VAL 112 -13.794 -10.571  -3.697
  960   HG13  VAL 112          HG13      VAL 112 -13.862 -11.843  -4.935
  961   HG21  VAL 112          HG21      VAL 112 -10.526 -12.437  -3.599
  962   HG22  VAL 112          HG22      VAL 112 -11.510 -12.093  -5.022
  963   HG23  VAL 112          HG23      VAL 112 -11.242 -10.827  -3.799
  964    H    TYR 113           H        TYR 113 -14.769 -10.755  -1.170
  965    HA   TYR 113           HA       TYR 113 -16.144 -13.241  -0.242
  966    HB2  TYR 113           HB2      TYR 113 -16.559 -12.580   1.857
  967    HB3  TYR 113           HB3      TYR 113 -15.100 -11.646   1.675
  968    HD1  TYR 113           HD1      TYR 113 -18.794 -11.567   1.792
  969    HD2  TYR 113           HD2      TYR 113 -15.205  -9.184   1.636
  970    HE1  TYR 113           HE1      TYR 113 -20.079  -9.581   2.569
  971    HE2  TYR 113           HE2      TYR 113 -16.500  -7.201   2.409
  972    HH   TYR 113           HH       TYR 113 -19.957  -7.417   3.337
  973    H    ALA 114           H        ALA 114 -18.360 -13.182  -0.460
  974    HA   ALA 114           HA       ALA 114 -19.762 -11.037  -1.905
  975    HB1  ALA 114           HB1      ALA 114 -19.908 -12.255  -3.990
  976    HB2  ALA 114           HB2      ALA 114 -18.195 -12.156  -3.590
  977    HB3  ALA 114           HB3      ALA 114 -19.060 -13.667  -3.298
  978    H    SER 115           H        SER 115 -21.962 -12.134  -2.776
  979    HA   SER 115           HA       SER 115 -23.077 -13.819  -0.621
  980    HB2  SER 115           HB2      SER 115 -25.204 -13.466  -1.739
  981    HB3  SER 115           HB3      SER 115 -24.374 -11.921  -1.466
  982    HG   SER 115           HG       SER 115 -25.326 -12.498  -3.700
  983    H    GLN 116           H        GLN 116 -21.413 -14.422  -3.495
  984    HA   GLN 116           HA       GLN 116 -22.533 -17.155  -3.802
  985    HB2  GLN 116           HB2      GLN 116 -23.033 -16.835  -6.041
  986    HB3  GLN 116           HB3      GLN 116 -23.588 -15.337  -5.318
  987    HG2  GLN 116           HG2      GLN 116 -21.071 -15.784  -6.942
  988    HG3  GLN 116           HG3      GLN 116 -22.509 -14.928  -7.451
  989   HE21  GLN 116          HE21      GLN 116 -19.694 -12.592  -6.317
  990   HE22  GLN 116          HE22      GLN 116 -19.614 -14.101  -7.229
  991    H    GLU 117           H        GLU 117 -21.193 -18.663  -4.964
  992    HA   GLU 117           HA       GLU 117 -18.305 -18.355  -4.602
  993    HB2  GLU 117           HB2      GLU 117 -19.315 -20.501  -4.212
  994    HB3  GLU 117           HB3      GLU 117 -20.141 -20.468  -5.758
  995    HG2  GLU 117           HG2      GLU 117 -18.445 -22.082  -5.896
  996    HG3  GLU 117           HG3      GLU 117 -18.015 -20.769  -6.967
  997    H    THR 118           H        THR 118 -20.519 -18.064  -7.372
  998    HA   THR 118           HA       THR 118 -18.523 -18.356  -9.455
  999    HB   THR 118           HB       THR 118 -20.478 -17.390 -10.856
 1000    HG1  THR 118           HG1      THR 118 -22.471 -17.342  -9.806
 1001   HG21  THR 118          HG21      THR 118 -20.062 -19.805 -10.648
 1002   HG22  THR 118          HG22      THR 118 -21.049 -19.860  -9.168
 1003   HG23  THR 118          HG23      THR 118 -21.789 -19.439 -10.730
 1004    H    PHE 119           H        PHE 119 -18.112 -16.714 -11.076
 1005    HA   PHE 119           HA       PHE 119 -18.625 -13.927 -10.440
 1006    HB2  PHE 119           HB2      PHE 119 -16.251 -13.255 -11.027
 1007    HB3  PHE 119           HB3      PHE 119 -16.617 -13.831  -9.417
 1008    HD1  PHE 119           HD1      PHE 119 -15.733 -15.954  -8.551
 1009    HD2  PHE 119           HD2      PHE 119 -14.910 -14.663 -12.585
 1010    HE1  PHE 119           HE1      PHE 119 -13.947 -17.664  -8.735
 1011    HE2  PHE 119           HE2      PHE 119 -13.121 -16.381 -12.767
 1012    HZ   PHE 119           HZ       PHE 119 -12.631 -17.876 -10.840
 1013    H    GLY 120           H        GLY 120 -18.661 -12.466 -12.120
 1014    HA2  GLY 120           HA2      GLY 120 -19.629 -13.554 -14.605
 1015    HA3  GLY 120           HA3      GLY 120 -19.382 -11.846 -14.229
 1016    H1   ASP  10           H1       ASP  10  -8.600   4.357  16.732
 1017    H2   ASP  10           H2       ASP  10  -8.992   2.948  16.003
 1018    H3   ASP  10           H3       ASP  10  -8.361   2.948  17.518
 1019    HA   ASP  10           HA       ASP  10  -6.994   3.854  15.071
 1020    HB2  ASP  10           HB2      ASP  10  -5.919   3.799  17.883
 1021    HB3  ASP  10           HB3      ASP  10  -4.897   3.885  16.447
 1022    H    TYR  11           H        TYR  11  -6.127   1.371  17.554
 1023    HA   TYR  11           HA       TYR  11  -4.673   0.066  15.536
 1024    HB2  TYR  11           HB2      TYR  11  -5.125  -0.660  18.392
 1025    HB3  TYR  11           HB3      TYR  11  -4.143  -1.638  17.324
 1026    HD1  TYR  11           HD1      TYR  11  -3.774   0.591  19.821
 1027    HD2  TYR  11           HD2      TYR  11  -2.495   0.145  15.704
 1028    HE1  TYR  11           HE1      TYR  11  -1.779   2.011  20.262
 1029    HE2  TYR  11           HE2      TYR  11  -0.514   1.526  16.167
 1030    HH   TYR  11           HH       TYR  11   0.657   2.741  17.733
 1031    H    GLU  12           H        GLU  12  -7.840  -0.251  15.482
 1032    HA   GLU  12           HA       GLU  12  -7.924  -3.030  14.519
 1033    HB2  GLU  12           HB2      GLU  12  -9.831  -1.826  15.571
 1034    HB3  GLU  12           HB3      GLU  12  -9.955  -0.793  14.111
 1035    HG2  GLU  12           HG2      GLU  12 -10.485  -2.761  12.755
 1036    HG3  GLU  12           HG3      GLU  12 -10.192  -3.830  14.132
 1037    H    SER  13           H        SER  13  -6.525  -0.173  13.275
 1038    HA   SER  13           HA       SER  13  -6.033  -1.458  10.683
 1039    HB2  SER  13           HB2      SER  13  -8.289  -0.531  10.324
 1040    HB3  SER  13           HB3      SER  13  -7.720   1.058  10.845
 1041    HG   SER  13           HG       SER  13  -6.869  -0.399   8.532
 1042    H    ASP  14           H        ASP  14  -5.415   1.343  12.811
 1043    HA   ASP  14           HA       ASP  14  -3.657   2.555  10.839
 1044    HB2  ASP  14           HB2      ASP  14  -4.650   3.432  13.528
 1045    HB3  ASP  14           HB3      ASP  14  -3.482   4.349  12.584
 1046    H    ASP  15           H        ASP  15  -1.626   2.655  10.595
 1047    HA   ASP  15           HA       ASP  15   0.554   2.494  10.779
 1048    HB2  ASP  15           HB2      ASP  15   0.225   4.558  11.733
 1049    HB3  ASP  15           HB3      ASP  15  -0.144   3.872  13.313
 1050    H    ASP  16           H        ASP  16   0.594   0.214  10.598
 1051    HA   ASP  16           HA       ASP  16   1.536  -1.758  10.883
 1052    HB2  ASP  16           HB2      ASP  16   3.352  -0.658  10.124
 1053    HB3  ASP  16           HB3      ASP  16   3.623   0.202  11.635
 1054    H    SER  17           H        SER  17   2.077  -0.426  14.173
 1055    HA   SER  17           HA       SER  17   2.643  -3.072  15.253
 1056    HB2  SER  17           HB2      SER  17   2.703  -1.940  17.424
 1057    HB3  SER  17           HB3      SER  17   3.690  -1.108  16.209
 1058    HG   SER  17           HG       SER  17   2.407   0.362  17.417
 1059    H    TYR  18           H        TYR  18  -0.157  -1.915  14.164
 1060    HA   TYR  18           HA       TYR  18  -2.143  -2.235  16.025
 1061    HB2  TYR  18           HB2      TYR  18  -3.564  -2.757  13.902
 1062    HB3  TYR  18           HB3      TYR  18  -2.823  -1.213  14.135
 1063    HD1  TYR  18           HD1      TYR  18  -1.180  -4.369  12.793
 1064    HD2  TYR  18           HD2      TYR  18  -2.554  -0.386  12.084
 1065    HE1  TYR  18           HE1      TYR  18  -0.326  -4.504  10.465
 1066    HE2  TYR  18           HE2      TYR  18  -1.703  -0.484   9.744
 1067    HH   TYR  18           HH       TYR  18  -0.059  -3.404   8.439
 1068    H    GLU  19           H        GLU  19  -3.968  -3.585  16.194
 1069    HA   GLU  19           HA       GLU  19  -3.320  -6.500  16.306
 1070    HB2  GLU  19           HB2      GLU  19  -5.744  -4.916  17.253
 1071    HB3  GLU  19           HB3      GLU  19  -5.500  -6.658  17.451
 1072    HG2  GLU  19           HG2      GLU  19  -3.431  -6.189  18.781
 1073    HG3  GLU  19           HG3      GLU  19  -3.780  -4.457  18.677
 1074    H    VAL  20           H        VAL  20  -5.492  -4.196  14.700
 1075    HA   VAL  20           HA       VAL  20  -6.841  -4.212  12.986
 1076    HB   VAL  20           HB       VAL  20  -5.442  -6.431  11.606
 1077   HG11  VAL  20          HG11      VAL  20  -5.817  -5.059   9.641
 1078   HG12  VAL  20          HG12      VAL  20  -7.372  -5.276  10.466
 1079   HG13  VAL  20          HG13      VAL  20  -6.480  -3.756  10.612
 1080   HG21  VAL  20          HG21      VAL  20  -3.807  -4.719  10.807
 1081   HG22  VAL  20          HG22      VAL  20  -4.470  -3.577  11.980
 1082   HG23  VAL  20          HG23      VAL  20  -3.642  -5.055  12.534
 1083    H    LEU  21           H        LEU  21  -6.692  -7.517  14.199
 1084    HA   LEU  21           HA       LEU  21  -9.343  -8.186  13.141
 1085    HB2  LEU  21           HB2      LEU  21  -7.226  -9.671  13.728
 1086    HB3  LEU  21           HB3      LEU  21  -7.867  -9.642  15.354
 1087    HG   LEU  21           HG       LEU  21  -9.967 -10.730  14.504
 1088   HD11  LEU  21          HD11      LEU  21  -9.856 -11.775  12.194
 1089   HD12  LEU  21          HD12      LEU  21 -10.036 -10.026  12.150
 1090   HD13  LEU  21          HD13      LEU  21  -8.441 -10.761  11.847
 1091   HD21  LEU  21          HD21      LEU  21  -7.400 -12.140  13.661
 1092   HD22  LEU  21          HD22      LEU  21  -8.005 -12.056  15.324
 1093   HD23  LEU  21          HD23      LEU  21  -8.945 -12.918  14.092
 1094    H    ASP  22           H        ASP  22  -8.237  -6.371  15.823
 1095    HA   ASP  22           HA       ASP  22  -8.923  -6.013  17.916
 1096    HB2  ASP  22           HB2      ASP  22  -9.993  -4.274  16.837
 1097    HB3  ASP  22           HB3      ASP  22 -11.254  -5.316  16.205
 1098    H    LEU  23           H        LEU  23  -8.541  -8.474  18.078
 1099    HA   LEU  23           HA       LEU  23 -10.795  -9.745  19.547
 1100    HB2  LEU  23           HB2      LEU  23 -10.934 -10.484  17.192
 1101    HB3  LEU  23           HB3      LEU  23  -9.226 -10.912  17.221
 1102    HG   LEU  23           HG       LEU  23  -9.773 -12.662  19.001
 1103   HD11  LEU  23          HD11      LEU  23 -11.956 -11.761  19.740
 1104   HD12  LEU  23          HD12      LEU  23 -12.627 -12.050  18.121
 1105   HD13  LEU  23          HD13      LEU  23 -12.111 -13.415  19.142
 1106   HD21  LEU  23          HD21      LEU  23 -10.713 -14.276  17.386
 1107   HD22  LEU  23          HD22      LEU  23 -11.044 -12.939  16.264
 1108   HD23  LEU  23          HD23      LEU  23  -9.372 -13.338  16.732
 1109    H    THR  24           H        THR  24 -10.190 -11.004  21.278
 1110    HA   THR  24           HA       THR  24  -7.576 -11.004  22.284
 1111    HB   THR  24           HB       THR  24  -9.428 -13.182  23.123
 1112    HG1  THR  24           HG1      THR  24 -10.573 -11.699  24.363
 1113   HG21  THR  24          HG21      THR  24  -7.659 -11.221  24.661
 1114   HG22  THR  24          HG22      THR  24  -8.589 -12.566  25.357
 1115   HG23  THR  24          HG23      THR  24  -7.236 -12.903  24.265
 1116    H    GLU  25           H        GLU  25  -5.778 -12.018  21.856
 1117    HA   GLU  25           HA       GLU  25  -5.648 -14.226  19.959
 1118    HB2  GLU  25           HB2      GLU  25  -3.245 -13.967  20.184
 1119    HB3  GLU  25           HB3      GLU  25  -4.024 -12.396  19.979
 1120    HG2  GLU  25           HG2      GLU  25  -3.900 -12.072  22.480
 1121    HG3  GLU  25           HG3      GLU  25  -3.003 -13.588  22.594
 1122    H    TYR  26           H        TYR  26  -4.229 -16.147  20.407
 1123    HA   TYR  26           HA       TYR  26  -4.186 -17.105  23.146
 1124    HB2  TYR  26           HB2      TYR  26  -5.016 -19.393  22.468
 1125    HB3  TYR  26           HB3      TYR  26  -6.150 -18.102  22.783
 1126    HD1  TYR  26           HD1      TYR  26  -4.597 -20.122  20.083
 1127    HD2  TYR  26           HD2      TYR  26  -7.681 -17.293  21.116
 1128    HE1  TYR  26           HE1      TYR  26  -5.794 -20.644  17.951
 1129    HE2  TYR  26           HE2      TYR  26  -8.871 -17.803  18.988
 1130    HH   TYR  26           HH       TYR  26  -8.979 -19.229  17.173
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -9.227  -0.655   4.918
    2    H2   MET   1           H2       MET   1  -8.082   0.045   5.873
    3    H3   MET   1           H3       MET   1  -9.354  -0.730   6.544
    4    HA   MET   1           HA       MET   1  -9.564   1.738   6.646
    5    HB2  MET   1           HB2      MET   1  -8.363   2.181   4.550
    6    HB3  MET   1           HB3      MET   1  -9.663   1.450   3.611
    7    HG2  MET   1           HG2      MET   1  -9.816   3.858   3.519
    8    HG3  MET   1           HG3      MET   1 -11.224   3.233   4.360
    9    HE1  MET   1           HE1      MET   1 -10.621   6.729   6.033
   10    HE2  MET   1           HE2      MET   1 -10.362   6.290   4.334
   11    HE3  MET   1           HE3      MET   1 -11.789   5.674   5.202
   12    HA   PRO   2           HA       PRO   2 -13.657  -0.367   6.627
   13    HB2  PRO   2           HB2      PRO   2 -14.528   0.282   9.109
   14    HB3  PRO   2           HB3      PRO   2 -13.198  -0.887   8.857
   15    HG2  PRO   2           HG2      PRO   2 -12.921   2.075   9.479
   16    HG3  PRO   2           HG3      PRO   2 -12.167   0.691  10.333
   17    HD2  PRO   2           HD2      PRO   2 -10.854   2.057   8.387
   18    HD3  PRO   2           HD3      PRO   2 -10.681   0.280   8.564
   19    H    SER   3           H        SER   3 -14.028   1.160   4.843
   20    HA   SER   3           HA       SER   3 -16.281   2.952   5.367
   21    HB2  SER   3           HB2      SER   3 -14.194   4.349   5.796
   22    HB3  SER   3           HB3      SER   3 -13.772   4.115   4.090
   23    HG   SER   3           HG       SER   3 -14.990   6.085   4.585
   24    H    GLU   4           H        GLU   4 -16.540   4.188   3.025
   25    HA   GLU   4           HA       GLU   4 -17.161   2.168   1.014
   26    HB2  GLU   4           HB2      GLU   4 -17.090   5.211   0.876
   27    HB3  GLU   4           HB3      GLU   4 -17.707   4.139  -0.394
   28    HG2  GLU   4           HG2      GLU   4 -19.377   3.230   1.223
   29    HG3  GLU   4           HG3      GLU   4 -18.838   4.406   2.425
   30    H    LYS   5           H        LYS   5 -16.364   2.267  -1.200
   31    HA   LYS   5           HA       LYS   5 -14.785   1.914  -2.770
   32    HB2  LYS   5           HB2      LYS   5 -13.288   4.240  -1.496
   33    HB3  LYS   5           HB3      LYS   5 -12.951   3.533  -3.069
   34    HG2  LYS   5           HG2      LYS   5 -15.218   4.132  -3.870
   35    HG3  LYS   5           HG3      LYS   5 -15.597   4.825  -2.288
   36    HD2  LYS   5           HD2      LYS   5 -15.071   6.623  -3.757
   37    HD3  LYS   5           HD3      LYS   5 -13.761   6.488  -2.578
   38    HE2  LYS   5           HE2      LYS   5 -12.354   5.321  -4.264
   39    HE3  LYS   5           HE3      LYS   5 -13.699   5.351  -5.415
   40    HZ1  LYS   5           HZ1      LYS   5 -13.575   7.797  -5.397
   41    HZ2  LYS   5           HZ2      LYS   5 -12.345   7.775  -4.328
   42    HZ3  LYS   5           HZ3      LYS   5 -12.128   7.176  -5.830
   43    H    THR   6           H        THR   6 -12.374   1.465  -3.221
   44    HA   THR   6           HA       THR   6 -11.785  -0.854  -1.577
   45    HB   THR   6           HB       THR   6 -10.555  -1.734  -3.218
   46    HG1  THR   6           HG1      THR   6  -9.405  -0.434  -4.749
   47   HG21  THR   6          HG21      THR   6 -11.991   0.328  -4.950
   48   HG22  THR   6          HG22      THR   6 -11.449  -1.294  -5.408
   49   HG23  THR   6          HG23      THR   6 -12.778  -1.108  -4.253
   50    H    PHE   7           H        PHE   7  -9.274  -1.417  -1.197
   51    HA   PHE   7           HA       PHE   7  -8.298   0.544   0.707
   52    HB2  PHE   7           HB2      PHE   7  -6.369  -0.886   0.983
   53    HB3  PHE   7           HB3      PHE   7  -7.853  -1.801   1.045
   54    HD1  PHE   7           HD1      PHE   7  -8.403  -3.515  -0.658
   55    HD2  PHE   7           HD2      PHE   7  -4.769  -1.186  -0.846
   56    HE1  PHE   7           HE1      PHE   7  -7.470  -5.082  -2.338
   57    HE2  PHE   7           HE2      PHE   7  -3.825  -2.785  -2.468
   58    HZ   PHE   7           HZ       PHE   7  -5.176  -4.727  -3.245
   59    H    LYS   8           H        LYS   8  -8.052   0.473  -2.733
   60    HA   LYS   8           HA       LYS   8  -5.441   1.543  -3.131
   61    HB2  LYS   8           HB2      LYS   8  -6.887   0.581  -4.869
   62    HB3  LYS   8           HB3      LYS   8  -7.972   1.982  -4.767
   63    HG2  LYS   8           HG2      LYS   8  -6.223   3.470  -5.582
   64    HG3  LYS   8           HG3      LYS   8  -5.009   2.172  -5.472
   65    HD2  LYS   8           HD2      LYS   8  -6.217   0.893  -7.217
   66    HD3  LYS   8           HD3      LYS   8  -7.438   2.186  -7.322
   67    HE2  LYS   8           HE2      LYS   8  -5.647   3.804  -7.953
   68    HE3  LYS   8           HE3      LYS   8  -4.446   2.514  -7.857
   69    HZ1  LYS   8           HZ1      LYS   8  -6.747   2.552  -9.758
   70    HZ2  LYS   8           HZ2      LYS   8  -5.196   2.875 -10.156
   71    HZ3  LYS   8           HZ3      LYS   8  -5.616   1.372  -9.680
   72    H    GLN   9           H        GLN   9  -8.287   3.145  -1.915
   73    HA   GLN   9           HA       GLN   9  -7.511   5.853  -2.248
   74    HB2  GLN   9           HB2      GLN   9  -9.212   6.362  -0.706
   75    HB3  GLN   9           HB3      GLN   9  -9.755   4.917  -1.557
   76    HG2  GLN   9           HG2      GLN   9  -8.897   3.561   0.460
   77    HG3  GLN   9           HG3      GLN   9  -8.665   5.104   1.287
   78   HE21  GLN   9          HE21      GLN   9 -12.458   3.623   0.815
   79   HE22  GLN   9          HE22      GLN   9 -11.045   2.777   0.160
   80    H    ARG  10           H        ARG  10  -6.128   3.470  -0.080
   81    HA   ARG  10           HA       ARG  10  -4.307   5.595   1.010
   82    HB2  ARG  10           HB2      ARG  10  -5.607   3.335   2.577
   83    HB3  ARG  10           HB3      ARG  10  -4.146   4.163   3.123
   84    HG2  ARG  10           HG2      ARG  10  -5.339   6.348   3.037
   85    HG3  ARG  10           HG3      ARG  10  -6.815   5.501   2.572
   86    HD2  ARG  10           HD2      ARG  10  -7.013   5.888   4.904
   87    HD3  ARG  10           HD3      ARG  10  -6.654   4.178   4.725
   88    HE   ARG  10           HE       ARG  10  -4.617   4.481   5.826
   89   HH11  ARG  10          HH11      ARG  10  -3.246   5.550   7.251
   90   HH12  ARG  10          HH12      ARG  10  -3.300   7.284   7.320
   91   HH21  ARG  10          HH21      ARG  10  -5.845   7.686   5.075
   92   HH22  ARG  10          HH22      ARG  10  -4.740   8.457   6.180
   93    H    ARG  11           H        ARG  11  -4.460   2.217  -0.100
   94    HA   ARG  11           HA       ARG  11  -1.469   2.075   0.143
   95    HB2  ARG  11           HB2      ARG  11  -3.618   0.313   1.171
   96    HB3  ARG  11           HB3      ARG  11  -2.470  -0.572   0.189
   97    HG2  ARG  11           HG2      ARG  11  -1.844  -0.660   2.533
   98    HG3  ARG  11           HG3      ARG  11  -0.604   0.148   1.583
   99    HD2  ARG  11           HD2      ARG  11  -1.398   2.349   2.378
  100    HD3  ARG  11           HD3      ARG  11  -2.719   1.554   3.275
  101    HE   ARG  11           HE       ARG  11  -0.334   0.367   4.196
  102   HH11  ARG  11          HH11      ARG  11   0.766   0.996   5.998
  103   HH12  ARG  11          HH12      ARG  11   0.365   2.578   6.722
  104   HH21  ARG  11          HH21      ARG  11  -0.906   3.885   5.912
  105   HH22  ARG  11          HH22      ARG  11  -1.694   3.663   4.343
  106    H    THR  12           H        THR  12  -0.252   1.231  -1.329
  107    HA   THR  12           HA       THR  12  -1.267  -0.188  -3.678
  108    HB   THR  12           HB       THR  12  -0.226   1.028  -5.317
  109    HG1  THR  12           HG1      THR  12   1.227   2.733  -4.881
  110   HG21  THR  12          HG21      THR  12  -1.032   3.320  -5.252
  111   HG22  THR  12          HG22      THR  12  -2.248   2.269  -4.517
  112   HG23  THR  12          HG23      THR  12  -1.195   3.271  -3.486
  113    H    PHE  13           H        PHE  13   0.938  -0.871  -5.043
  114    HA   PHE  13           HA       PHE  13   1.927  -2.955  -3.595
  115    HB2  PHE  13           HB2      PHE  13   2.013  -3.037  -5.917
  116    HB3  PHE  13           HB3      PHE  13   3.013  -1.596  -6.025
  117    HD1  PHE  13           HD1      PHE  13   3.026  -5.200  -5.727
  118    HD2  PHE  13           HD2      PHE  13   5.474  -1.673  -5.357
  119    HE1  PHE  13           HE1      PHE  13   5.068  -6.621  -5.764
  120    HE2  PHE  13           HE2      PHE  13   7.513  -3.086  -5.394
  121    HZ   PHE  13           HZ       PHE  13   7.312  -5.563  -5.583
  122    H    GLU  14           H        GLU  14   3.734   0.112  -3.814
  123    HA   GLU  14           HA       GLU  14   5.988  -0.882  -2.305
  124    HB2  GLU  14           HB2      GLU  14   5.008   1.964  -2.752
  125    HB3  GLU  14           HB3      GLU  14   6.568   1.515  -2.031
  126    HG2  GLU  14           HG2      GLU  14   7.140   0.254  -4.119
  127    HG3  GLU  14           HG3      GLU  14   5.650   0.850  -4.860
  128    H    GLN  15           H        GLN  15   3.007   0.829  -1.297
  129    HA   GLN  15           HA       GLN  15   3.787   0.995   1.512
  130    HB2  GLN  15           HB2      GLN  15   1.044   1.188   0.198
  131    HB3  GLN  15           HB3      GLN  15   1.400   1.594   1.871
  132    HG2  GLN  15           HG2      GLN  15   2.493   3.020  -0.591
  133    HG3  GLN  15           HG3      GLN  15   1.220   3.597   0.465
  134   HE21  GLN  15          HE21      GLN  15   4.508   5.221   1.402
  135   HE22  GLN  15          HE22      GLN  15   3.659   5.056  -0.129
  136    H    ARG  16           H        ARG  16   1.995  -1.372  -0.445
  137    HA   ARG  16           HA       ARG  16   1.202  -3.158   1.688
  138    HB2  ARG  16           HB2      ARG  16   1.763  -3.481  -1.286
  139    HB3  ARG  16           HB3      ARG  16   1.379  -4.870  -0.309
  140    HG2  ARG  16           HG2      ARG  16  -0.454  -2.452  -0.211
  141    HG3  ARG  16           HG3      ARG  16  -0.501  -3.507  -1.621
  142    HD2  ARG  16           HD2      ARG  16  -0.895  -4.482   1.243
  143    HD3  ARG  16           HD3      ARG  16  -2.194  -4.093   0.119
  144    HE   ARG  16           HE       ARG  16  -1.520  -5.866  -1.363
  145   HH11  ARG  16          HH11      ARG  16   0.451  -7.890   1.428
  146   HH12  ARG  16          HH12      ARG  16   0.023  -6.236   1.838
  147   HH21  ARG  16          HH21      ARG  16  -0.700  -7.877  -1.694
  148   HH22  ARG  16          HH22      ARG  16  -0.050  -8.780  -0.343
  149    H    VAL  17           H        VAL  17   4.159  -3.129  -0.336
  150    HA   VAL  17           HA       VAL  17   5.450  -5.323   1.004
  151    HB   VAL  17           HB       VAL  17   6.503  -2.989  -0.645
  152   HG11  VAL  17          HG11      VAL  17   8.093  -5.360   0.440
  153   HG12  VAL  17          HG12      VAL  17   8.646  -4.242  -0.830
  154   HG13  VAL  17          HG13      VAL  17   8.371  -3.638   0.799
  155   HG21  VAL  17          HG21      VAL  17   6.825  -4.713  -2.350
  156   HG22  VAL  17          HG22      VAL  17   6.303  -5.986  -1.224
  157   HG23  VAL  17          HG23      VAL  17   5.147  -4.776  -1.801
  158    H    GLU  18           H        GLU  18   5.688  -1.721   1.636
  159    HA   GLU  18           HA       GLU  18   7.401  -2.065   3.910
  160    HB2  GLU  18           HB2      GLU  18   5.454   0.145   3.186
  161    HB3  GLU  18           HB3      GLU  18   6.394   0.168   4.671
  162    HG2  GLU  18           HG2      GLU  18   7.512   0.147   1.854
  163    HG3  GLU  18           HG3      GLU  18   7.444   1.510   2.975
  164    H    ASP  19           H        ASP  19   3.783  -1.898   3.847
  165    HA   ASP  19           HA       ASP  19   3.393  -2.255   6.606
  166    HB2  ASP  19           HB2      ASP  19   1.729  -3.142   4.238
  167    HB3  ASP  19           HB3      ASP  19   1.246  -3.447   5.898
  168    H    VAL  20           H        VAL  20   3.828  -4.858   4.188
  169    HA   VAL  20           HA       VAL  20   3.730  -7.040   6.083
  170    HB   VAL  20           HB       VAL  20   4.977  -6.697   3.317
  171   HG11  VAL  20          HG11      VAL  20   6.313  -8.441   4.353
  172   HG12  VAL  20          HG12      VAL  20   4.865  -9.218   5.024
  173   HG13  VAL  20          HG13      VAL  20   5.163  -9.200   3.264
  174   HG21  VAL  20          HG21      VAL  20   2.478  -6.712   3.505
  175   HG22  VAL  20          HG22      VAL  20   3.105  -8.098   2.614
  176   HG23  VAL  20          HG23      VAL  20   2.564  -8.293   4.299
  177    H    ARG  21           H        ARG  21   6.562  -5.156   4.805
  178    HA   ARG  21           HA       ARG  21   8.589  -6.570   6.238
  179    HB2  ARG  21           HB2      ARG  21   9.122  -5.129   4.399
  180    HB3  ARG  21           HB3      ARG  21   8.376  -3.736   5.175
  181    HG2  ARG  21           HG2      ARG  21  10.130  -3.644   6.867
  182    HG3  ARG  21           HG3      ARG  21  10.883  -5.109   6.210
  183    HD2  ARG  21           HD2      ARG  21  11.366  -3.977   4.106
  184    HD3  ARG  21           HD3      ARG  21  10.424  -2.569   4.587
  185    HE   ARG  21           HE       ARG  21  13.062  -3.413   5.704
  186   HH11  ARG  21          HH11      ARG  21  10.710  -0.771   5.320
  187   HH12  ARG  21          HH12      ARG  21  11.805   0.360   6.061
  188   HH21  ARG  21          HH21      ARG  21  14.342  -1.872   6.627
  189   HH22  ARG  21          HH22      ARG  21  13.794  -0.228   6.749
  190    H    LEU  22           H        LEU  22   6.793  -3.651   7.193
  191    HA   LEU  22           HA       LEU  22   7.963  -3.338   9.788
  192    HB2  LEU  22           HB2      LEU  22   5.293  -2.489   8.600
  193    HB3  LEU  22           HB3      LEU  22   5.825  -1.987  10.207
  194    HG   LEU  22           HG       LEU  22   7.598  -1.506   7.800
  195   HD11  LEU  22          HD11      LEU  22   6.654   0.713   7.487
  196   HD12  LEU  22          HD12      LEU  22   5.380  -0.492   7.269
  197   HD13  LEU  22          HD13      LEU  22   5.462   0.426   8.786
  198   HD21  LEU  22          HD21      LEU  22   8.445   0.350   9.149
  199   HD22  LEU  22          HD22      LEU  22   7.284  -0.028  10.441
  200   HD23  LEU  22          HD23      LEU  22   8.582  -1.177  10.032
  201    H    ILE  23           H        ILE  23   4.901  -5.016   8.806
  202    HA   ILE  23           HA       ILE  23   4.355  -5.890  11.494
  203    HB   ILE  23           HB       ILE  23   3.197  -6.407   8.797
  204   HG12  ILE  23          HG12      ILE  23   1.145  -5.723   9.916
  205   HG13  ILE  23          HG13      ILE  23   1.921  -5.797  11.495
  206   HG21  ILE  23          HG21      ILE  23   2.650  -8.257  11.129
  207   HG22  ILE  23          HG22      ILE  23   1.569  -8.016   9.754
  208   HG23  ILE  23          HG23      ILE  23   3.184  -8.669   9.474
  209   HD11  ILE  23          HD11      ILE  23   3.338  -3.819  10.869
  210   HD12  ILE  23          HD12      ILE  23   2.496  -3.756   9.304
  211   HD13  ILE  23          HD13      ILE  23   1.613  -3.484  10.807
  212    H    ARG  24           H        ARG  24   6.232  -7.515   8.925
  213    HA   ARG  24           HA       ARG  24   6.697  -9.925  10.447
  214    HB2  ARG  24           HB2      ARG  24   8.264  -8.482   8.268
  215    HB3  ARG  24           HB3      ARG  24   8.881  -9.942   9.013
  216    HG2  ARG  24           HG2      ARG  24   6.195  -9.749   7.578
  217    HG3  ARG  24           HG3      ARG  24   7.694 -10.332   6.859
  218    HD2  ARG  24           HD2      ARG  24   6.158 -11.607   9.160
  219    HD3  ARG  24           HD3      ARG  24   6.260 -12.210   7.526
  220    HE   ARG  24           HE       ARG  24   8.280 -12.440   9.643
  221   HH11  ARG  24          HH11      ARG  24   7.822 -12.783   6.173
  222   HH12  ARG  24          HH12      ARG  24   9.224 -13.802   6.009
  223   HH21  ARG  24          HH21      ARG  24  10.047 -13.727   9.345
  224   HH22  ARG  24          HH22      ARG  24  10.434 -14.337   7.764
  225    H    GLU  25           H        GLU  25   8.255  -6.739  10.652
  226    HA   GLU  25           HA       GLU  25  10.167  -7.642  12.663
  227    HB2  GLU  25           HB2      GLU  25  10.662  -5.764  11.238
  228    HB3  GLU  25           HB3      GLU  25   9.285  -4.847  11.874
  229    HG2  GLU  25           HG2      GLU  25  10.284  -4.809  14.112
  230    HG3  GLU  25           HG3      GLU  25  11.624  -5.821  13.560
  231    H    GLN  26           H        GLN  26   7.120  -5.681  12.967
  232    HA   GLN  26           HA       GLN  26   7.403  -5.733  15.868
  233    HB2  GLN  26           HB2      GLN  26   5.494  -4.307  15.961
  234    HB3  GLN  26           HB3      GLN  26   6.638  -3.722  14.760
  235    HG2  GLN  26           HG2      GLN  26   5.202  -4.248  12.948
  236    HG3  GLN  26           HG3      GLN  26   4.240  -5.377  13.909
  237   HE21  GLN  26          HE21      GLN  26   1.964  -2.607  13.739
  238   HE22  GLN  26          HE22      GLN  26   2.268  -4.258  13.225
  239    H    HIS  27           H        HIS  27   5.532  -7.759  13.701
  240    HA   HIS  27           HA       HIS  27   4.303  -9.183  16.025
  241    HB2  HIS  27           HB2      HIS  27   2.732  -8.230  13.597
  242    HB3  HIS  27           HB3      HIS  27   2.110  -9.226  14.903
  243    HD1  HIS  27           HD1      HIS  27   3.246  -7.219  17.322
  244    HD2  HIS  27           HD2      HIS  27   0.756  -6.528  13.985
  245    HE1  HIS  27           HE1      HIS  27   1.586  -5.365  18.008
  246    HE2  HIS  27           HE2      HIS  27   0.090  -4.935  15.946
  247    HA   PRO  28           HA       PRO  28   6.178 -11.785  12.531
  248    HB2  PRO  28           HB2      PRO  28   7.752 -13.465  14.077
  249    HB3  PRO  28           HB3      PRO  28   8.279 -11.889  13.410
  250    HG2  PRO  28           HG2      PRO  28   7.176 -12.474  16.179
  251    HG3  PRO  28           HG3      PRO  28   8.651 -11.548  15.741
  252    HD2  PRO  28           HD2      PRO  28   6.368 -10.251  16.296
  253    HD3  PRO  28           HD3      PRO  28   7.368  -9.723  14.909
  254    H    THR  29           H        THR  29   4.543 -12.765  15.531
  255    HA   THR  29           HA       THR  29   3.832 -15.421  14.588
  256    HB   THR  29           HB       THR  29   2.629 -15.727  16.551
  257    HG1  THR  29           HG1      THR  29   2.043 -13.991  17.888
  258   HG21  THR  29          HG21      THR  29   4.113 -15.153  18.344
  259   HG22  THR  29          HG22      THR  29   5.120 -15.464  16.920
  260   HG23  THR  29          HG23      THR  29   4.809 -13.788  17.449
  261    H    LYS  30           H        LYS  30   2.648 -12.466  13.539
  262    HA   LYS  30           HA       LYS  30  -0.053 -13.602  12.977
  263    HB2  LYS  30           HB2      LYS  30   0.776 -10.737  13.500
  264    HB3  LYS  30           HB3      LYS  30  -0.804 -11.191  12.832
  265    HG2  LYS  30           HG2      LYS  30  -1.433 -12.400  14.782
  266    HG3  LYS  30           HG3      LYS  30   0.207 -12.401  15.434
  267    HD2  LYS  30           HD2      LYS  30   0.097  -9.993  15.861
  268    HD3  LYS  30           HD3      LYS  30  -1.541  -9.909  15.171
  269    HE2  LYS  30           HE2      LYS  30  -2.427 -11.346  16.902
  270    HE3  LYS  30           HE3      LYS  30  -0.808 -11.795  17.461
  271    HZ1  LYS  30           HZ1      LYS  30  -0.512  -9.542  18.293
  272    HZ2  LYS  30           HZ2      LYS  30  -1.977  -9.051  17.729
  273    HZ3  LYS  30           HZ3      LYS  30  -1.885 -10.192  18.914
  274    H    ILE  31           H        ILE  31  -1.009 -13.417  11.131
  275    HA   ILE  31           HA       ILE  31   0.692 -13.235   8.696
  276    HB   ILE  31           HB       ILE  31  -1.905 -14.699   9.282
  277   HG12  ILE  31          HG12      ILE  31  -0.187 -15.638  10.704
  278   HG13  ILE  31          HG13      ILE  31  -0.672 -16.766   9.459
  279   HG21  ILE  31          HG21      ILE  31  -1.669 -14.301   6.887
  280   HG22  ILE  31          HG22      ILE  31  -0.023 -14.965   6.908
  281   HG23  ILE  31          HG23      ILE  31  -1.404 -16.017   7.248
  282   HD11  ILE  31          HD11      ILE  31   1.762 -16.814   9.850
  283   HD12  ILE  31          HD12      ILE  31   1.402 -16.333   8.190
  284   HD13  ILE  31          HD13      ILE  31   1.899 -15.111   9.382
  285    HA   PRO  32           HA       PRO  32  -2.069  -9.753   7.674
  286    HB2  PRO  32           HB2      PRO  32  -0.294  -9.686   5.243
  287    HB3  PRO  32           HB3      PRO  32  -0.921  -8.332   6.221
  288    HG2  PRO  32           HG2      PRO  32   1.636  -9.207   6.544
  289    HG3  PRO  32           HG3      PRO  32   0.623  -8.751   7.948
  290    HD2  PRO  32           HD2      PRO  32   1.284 -11.509   6.943
  291    HD3  PRO  32           HD3      PRO  32   1.193 -10.906   8.611
  292    H    VAL  33           H        VAL  33  -3.825  -9.521   6.451
  293    HA   VAL  33           HA       VAL  33  -4.403 -11.327   4.132
  294    HB   VAL  33           HB       VAL  33  -6.042 -10.907   6.673
  295   HG11  VAL  33          HG11      VAL  33  -6.933 -12.154   4.042
  296   HG12  VAL  33          HG12      VAL  33  -7.812 -12.291   5.584
  297   HG13  VAL  33          HG13      VAL  33  -7.634 -10.717   4.828
  298   HG21  VAL  33          HG21      VAL  33  -5.085 -13.467   5.337
  299   HG22  VAL  33          HG22      VAL  33  -4.437 -12.763   6.833
  300   HG23  VAL  33          HG23      VAL  33  -6.099 -13.357   6.790
  301    H    ILE  34           H        ILE  34  -4.958 -10.002   2.468
  302    HA   ILE  34           HA       ILE  34  -6.264  -7.367   3.016
  303    HB   ILE  34           HB       ILE  34  -5.507  -8.609   0.359
  304   HG12  ILE  34          HG12      ILE  34  -3.425  -8.341   1.544
  305   HG13  ILE  34          HG13      ILE  34  -3.559  -7.119   0.301
  306   HG21  ILE  34          HG21      ILE  34  -5.662  -6.211  -0.406
  307   HG22  ILE  34          HG22      ILE  34  -7.206  -6.910   0.100
  308   HG23  ILE  34          HG23      ILE  34  -6.339  -5.790   1.174
  309   HD11  ILE  34          HD11      ILE  34  -2.602  -6.192   2.368
  310   HD12  ILE  34          HD12      ILE  34  -4.145  -5.405   2.000
  311   HD13  ILE  34          HD13      ILE  34  -4.045  -6.645   3.277
  312    H    ILE  35           H        ILE  35  -8.456  -7.086   2.681
  313    HA   ILE  35           HA       ILE  35 -10.000  -9.371   1.602
  314    HB   ILE  35           HB       ILE  35 -10.192  -9.452   4.015
  315   HG12  ILE  35          HG12      ILE  35 -12.839  -8.592   2.759
  316   HG13  ILE  35          HG13      ILE  35 -12.057 -10.153   2.453
  317   HG21  ILE  35          HG21      ILE  35 -11.458  -7.667   5.235
  318   HG22  ILE  35          HG22      ILE  35  -9.938  -7.077   4.588
  319   HG23  ILE  35          HG23      ILE  35 -11.475  -6.690   3.765
  320   HD11  ILE  35          HD11      ILE  35 -13.721 -10.519   4.095
  321   HD12  ILE  35          HD12      ILE  35 -12.161 -10.624   4.934
  322   HD13  ILE  35          HD13      ILE  35 -13.181  -9.165   5.090
  323    H    GLU  36           H        GLU  36 -11.911  -8.774   0.376
  324    HA   GLU  36           HA       GLU  36 -12.635  -5.916   0.280
  325    HB2  GLU  36           HB2      GLU  36 -10.776  -6.433  -1.478
  326    HB3  GLU  36           HB3      GLU  36 -12.021  -7.376  -2.309
  327    HG2  GLU  36           HG2      GLU  36 -13.439  -5.254  -2.339
  328    HG3  GLU  36           HG3      GLU  36 -12.049  -4.405  -1.666
  329    H    ARG  37           H        ARG  37 -14.765  -5.546  -0.285
  330    HA   ARG  37           HA       ARG  37 -16.664  -7.736  -0.476
  331    HB2  ARG  37           HB2      ARG  37 -17.353  -5.512   0.263
  332    HB3  ARG  37           HB3      ARG  37 -16.864  -4.800  -1.278
  333    HG2  ARG  37           HG2      ARG  37 -18.655  -5.978  -2.467
  334    HG3  ARG  37           HG3      ARG  37 -19.018  -6.943  -1.026
  335    HD2  ARG  37           HD2      ARG  37 -20.687  -5.254  -1.309
  336    HD3  ARG  37           HD3      ARG  37 -19.761  -4.909   0.166
  337    HE   ARG  37           HE       ARG  37 -18.497  -3.395  -1.796
  338   HH11  ARG  37          HH11      ARG  37 -21.782  -3.474  -0.556
  339   HH12  ARG  37          HH12      ARG  37 -22.111  -1.844  -1.081
  340   HH21  ARG  37          HH21      ARG  37 -18.957  -1.276  -2.349
  341   HH22  ARG  37          HH22      ARG  37 -20.532  -0.627  -2.026
  342    H    TYR  38           H        TYR  38 -17.352  -8.925  -2.217
  343    HA   TYR  38           HA       TYR  38 -15.614  -9.207  -4.314
  344    HB2  TYR  38           HB2      TYR  38 -16.714 -11.086  -3.728
  345    HB3  TYR  38           HB3      TYR  38 -18.293 -10.307  -3.776
  346    HD1  TYR  38           HD1      TYR  38 -15.530 -11.299  -6.160
  347    HD2  TYR  38           HD2      TYR  38 -19.773 -10.916  -5.437
  348    HE1  TYR  38           HE1      TYR  38 -16.003 -12.303  -8.377
  349    HE2  TYR  38           HE2      TYR  38 -20.229 -11.964  -7.646
  350    HH   TYR  38           HH       TYR  38 -17.631 -12.842  -9.937
  351    H    LYS  39           H        LYS  39 -15.263  -8.796  -6.366
  352    HA   LYS  39           HA       LYS  39 -16.000  -6.272  -7.331
  353    HB2  LYS  39           HB2      LYS  39 -13.921  -7.446  -7.863
  354    HB3  LYS  39           HB3      LYS  39 -14.794  -8.667  -8.795
  355    HG2  LYS  39           HG2      LYS  39 -15.467  -6.964 -10.453
  356    HG3  LYS  39           HG3      LYS  39 -14.679  -5.701  -9.485
  357    HD2  LYS  39           HD2      LYS  39 -12.488  -6.813  -9.811
  358    HD3  LYS  39           HD3      LYS  39 -13.279  -8.100 -10.752
  359    HE2  LYS  39           HE2      LYS  39 -14.057  -6.397 -12.400
  360    HE3  LYS  39           HE3      LYS  39 -13.257  -5.124 -11.467
  361    HZ1  LYS  39           HZ1      LYS  39 -11.119  -6.229 -11.909
  362    HZ2  LYS  39           HZ2      LYS  39 -11.854  -7.413 -12.769
  363    HZ3  LYS  39           HZ3      LYS  39 -11.866  -5.878 -13.320
  364    H    GLY  40           H        GLY  40 -17.270  -9.426  -8.393
  365    HA2  GLY  40           HA2      GLY  40 -18.736  -8.402 -10.630
  366    HA3  GLY  40           HA3      GLY  40 -18.881 -10.012  -9.931
  367    H    GLU  41           H        GLU  41 -19.724  -8.781  -7.247
  368    HA   GLU  41           HA       GLU  41 -22.317  -7.542  -7.854
  369    HB2  GLU  41           HB2      GLU  41 -22.799  -9.913  -8.232
  370    HB3  GLU  41           HB3      GLU  41 -22.075 -10.327  -6.690
  371    HG2  GLU  41           HG2      GLU  41 -24.383 -10.497  -6.377
  372    HG3  GLU  41           HG3      GLU  41 -23.914  -9.025  -5.544
  373    H    LYS  42           H        LYS  42 -22.199  -5.857  -6.538
  374    HA   LYS  42           HA       LYS  42 -20.925  -6.074  -3.876
  375    HB2  LYS  42           HB2      LYS  42 -21.664  -3.660  -5.576
  376    HB3  LYS  42           HB3      LYS  42 -20.872  -3.587  -4.004
  377    HG2  LYS  42           HG2      LYS  42 -18.997  -4.985  -4.910
  378    HG3  LYS  42           HG3      LYS  42 -19.747  -4.880  -6.512
  379    HD2  LYS  42           HD2      LYS  42 -19.562  -2.356  -6.349
  380    HD3  LYS  42           HD3      LYS  42 -18.760  -2.552  -4.794
  381    HE2  LYS  42           HE2      LYS  42 -17.021  -2.167  -6.352
  382    HE3  LYS  42           HE3      LYS  42 -16.929  -3.870  -5.942
  383    HZ1  LYS  42           HZ1      LYS  42 -18.246  -2.782  -8.402
  384    HZ2  LYS  42           HZ2      LYS  42 -16.762  -3.441  -8.374
  385    HZ3  LYS  42           HZ3      LYS  42 -18.069  -4.385  -8.077
  386    H    GLN  43           H        GLN  43 -23.360  -7.330  -3.905
  387    HA   GLN  43           HA       GLN  43 -25.599  -5.755  -3.010
  388    HB2  GLN  43           HB2      GLN  43 -24.828  -8.680  -2.751
  389    HB3  GLN  43           HB3      GLN  43 -26.351  -8.080  -2.103
  390    HG2  GLN  43           HG2      GLN  43 -25.612  -7.507  -4.982
  391    HG3  GLN  43           HG3      GLN  43 -26.182  -9.112  -4.511
  392   HE21  GLN  43          HE21      GLN  43 -29.219  -7.617  -5.659
  393   HE22  GLN  43          HE22      GLN  43 -27.706  -8.361  -6.238
  394    H    LEU  44           H        LEU  44 -23.093  -7.477  -1.178
  395    HA   LEU  44           HA       LEU  44 -24.390  -7.105   1.378
  396    HB2  LEU  44           HB2      LEU  44 -21.564  -7.959   0.624
  397    HB3  LEU  44           HB3      LEU  44 -22.238  -8.066   2.252
  398    HG   LEU  44           HG       LEU  44 -23.135  -9.618  -0.214
  399   HD11  LEU  44          HD11      LEU  44 -22.447 -11.565   1.161
  400   HD12  LEU  44          HD12      LEU  44 -21.101 -10.438   0.852
  401   HD13  LEU  44          HD13      LEU  44 -21.908 -10.463   2.443
  402   HD21  LEU  44          HD21      LEU  44 -24.674 -10.835   1.337
  403   HD22  LEU  44          HD22      LEU  44 -24.374  -9.593   2.569
  404   HD23  LEU  44          HD23      LEU  44 -25.167  -9.172   1.025
  405    HA   PRO  45           HA       PRO  45 -23.461  -3.091   2.454
  406    HB2  PRO  45           HB2      PRO  45 -22.961  -3.107   5.178
  407    HB3  PRO  45           HB3      PRO  45 -24.562  -3.386   4.434
  408    HG2  PRO  45           HG2      PRO  45 -22.536  -5.473   5.312
  409    HG3  PRO  45           HG3      PRO  45 -24.292  -5.397   5.700
  410    HD2  PRO  45           HD2      PRO  45 -23.424  -6.955   3.702
  411    HD3  PRO  45           HD3      PRO  45 -24.887  -5.966   3.452
  412    H    VAL  46           H        VAL  46 -22.012  -1.434   3.152
  413    HA   VAL  46           HA       VAL  46 -19.281  -1.872   2.418
  414    HB   VAL  46           HB       VAL  46 -19.034   0.483   2.516
  415   HG11  VAL  46          HG11      VAL  46 -21.881  -0.025   1.563
  416   HG12  VAL  46          HG12      VAL  46 -20.783   1.264   1.059
  417   HG13  VAL  46          HG13      VAL  46 -20.396  -0.413   0.660
  418   HG21  VAL  46          HG21      VAL  46 -21.690   0.670   4.012
  419   HG22  VAL  46          HG22      VAL  46 -20.086   1.043   4.675
  420   HG23  VAL  46          HG23      VAL  46 -20.749   2.033   3.377
  421    H    LEU  47           H        LEU  47 -20.044  -3.219   4.937
  422    HA   LEU  47           HA       LEU  47 -18.342  -2.044   7.027
  423    HB2  LEU  47           HB2      LEU  47 -19.675  -4.758   6.715
  424    HB3  LEU  47           HB3      LEU  47 -18.757  -4.267   8.136
  425    HG   LEU  47           HG       LEU  47 -21.255  -2.803   7.164
  426   HD11  LEU  47          HD11      LEU  47 -20.913  -4.874   9.363
  427   HD12  LEU  47          HD12      LEU  47 -22.396  -3.938   9.030
  428   HD13  LEU  47          HD13      LEU  47 -21.792  -5.090   7.829
  429   HD21  LEU  47          HD21      LEU  47 -21.255  -1.869   9.468
  430   HD22  LEU  47          HD22      LEU  47 -19.703  -2.674   9.792
  431   HD23  LEU  47          HD23      LEU  47 -19.813  -1.383   8.573
  432    H    ASP  48           H        ASP  48 -17.508  -3.285   4.135
  433    HA   ASP  48           HA       ASP  48 -15.458  -5.143   4.505
  434    HB2  ASP  48           HB2      ASP  48 -16.355  -4.462   2.330
  435    HB3  ASP  48           HB3      ASP  48 -15.717  -2.846   2.537
  436    H    LYS  49           H        LYS  49 -14.130  -4.859   6.260
  437    HA   LYS  49           HA       LYS  49 -12.810  -2.395   6.920
  438    HB2  LYS  49           HB2      LYS  49 -11.975  -5.200   7.768
  439    HB3  LYS  49           HB3      LYS  49 -11.523  -3.667   8.530
  440    HG2  LYS  49           HG2      LYS  49 -14.078  -3.279   8.859
  441    HG3  LYS  49           HG3      LYS  49 -14.259  -4.977   8.416
  442    HD2  LYS  49           HD2      LYS  49 -14.193  -5.184  10.705
  443    HD3  LYS  49           HD3      LYS  49 -12.500  -5.429  10.305
  444    HE2  LYS  49           HE2      LYS  49 -12.409  -3.996  12.137
  445    HE3  LYS  49           HE3      LYS  49 -12.157  -2.909  10.770
  446    HZ1  LYS  49           HZ1      LYS  49 -13.756  -1.976  12.373
  447    HZ2  LYS  49           HZ2      LYS  49 -14.574  -2.282  10.983
  448    HZ3  LYS  49           HZ3      LYS  49 -14.730  -3.284  12.272
  449    H    THR  50           H        THR  50 -12.134  -4.331   4.288
  450    HA   THR  50           HA       THR  50 -10.547  -4.617   2.873
  451    HB   THR  50           HB       THR  50  -9.561  -2.920   1.838
  452    HG1  THR  50           HG1      THR  50  -8.115  -2.032   3.159
  453   HG21  THR  50          HG21      THR  50 -11.952  -2.361   2.063
  454   HG22  THR  50          HG22      THR  50 -11.596  -1.461   3.552
  455   HG23  THR  50          HG23      THR  50 -10.922  -0.914   2.007
  456    H    LYS  51           H        LYS  51  -8.986  -4.026   5.937
  457    HA   LYS  51           HA       LYS  51  -6.879  -5.988   5.076
  458    HB2  LYS  51           HB2      LYS  51  -6.523  -3.446   6.717
  459    HB3  LYS  51           HB3      LYS  51  -5.356  -4.777   6.728
  460    HG2  LYS  51           HG2      LYS  51  -4.946  -4.540   4.343
  461    HG3  LYS  51           HG3      LYS  51  -6.215  -3.323   4.192
  462    HD2  LYS  51           HD2      LYS  51  -4.047  -2.251   4.163
  463    HD3  LYS  51           HD3      LYS  51  -4.970  -1.755   5.603
  464    HE2  LYS  51           HE2      LYS  51  -3.674  -3.357   6.999
  465    HE3  LYS  51           HE3      LYS  51  -2.756  -3.879   5.576
  466    HZ1  LYS  51           HZ1      LYS  51  -1.629  -2.154   7.014
  467    HZ2  LYS  51           HZ2      LYS  51  -1.701  -1.707   5.464
  468    HZ3  LYS  51           HZ3      LYS  51  -2.752  -1.047   6.558
  469    H    PHE  52           H        PHE  52  -6.165  -7.418   6.562
  470    HA   PHE  52           HA       PHE  52  -7.121  -7.407   9.312
  471    HB2  PHE  52           HB2      PHE  52  -7.830  -9.583   7.348
  472    HB3  PHE  52           HB3      PHE  52  -7.653  -9.948   9.050
  473    HD1  PHE  52           HD1      PHE  52 -10.059  -9.254   6.665
  474    HD2  PHE  52           HD2      PHE  52  -8.898  -8.108  10.640
  475    HE1  PHE  52           HE1      PHE  52 -12.408  -8.597   7.174
  476    HE2  PHE  52           HE2      PHE  52 -11.252  -7.497  11.166
  477    HZ   PHE  52           HZ       PHE  52 -13.015  -7.767   9.427
  478    H    LEU  53           H        LEU  53  -5.982  -8.807  10.781
  479    HA   LEU  53           HA       LEU  53  -3.453 -10.013   9.786
  480    HB2  LEU  53           HB2      LEU  53  -3.696  -7.768  11.693
  481    HB3  LEU  53           HB3      LEU  53  -3.061  -9.181  12.494
  482    HG   LEU  53           HG       LEU  53  -1.280  -9.332  10.699
  483   HD11  LEU  53          HD11      LEU  53  -2.404  -7.895   8.969
  484   HD12  LEU  53          HD12      LEU  53  -2.217  -6.506  10.045
  485   HD13  LEU  53          HD13      LEU  53  -0.786  -7.313   9.391
  486   HD21  LEU  53          HD21      LEU  53  -0.855  -8.364  12.933
  487   HD22  LEU  53          HD22      LEU  53   0.064  -7.502  11.690
  488   HD23  LEU  53          HD23      LEU  53  -1.410  -6.776  12.365
  489    H    VAL  54           H        VAL  54  -3.097 -12.033  10.734
  490    HA   VAL  54           HA       VAL  54  -5.104 -12.946  12.741
  491    HB   VAL  54           HB       VAL  54  -4.343 -14.778  10.509
  492   HG11  VAL  54          HG11      VAL  54  -5.607 -15.577  12.497
  493   HG12  VAL  54          HG12      VAL  54  -6.897 -14.412  12.133
  494   HG13  VAL  54          HG13      VAL  54  -6.532 -15.736  11.002
  495   HG21  VAL  54          HG21      VAL  54  -6.563 -12.721  10.281
  496   HG22  VAL  54          HG22      VAL  54  -5.106 -12.830   9.256
  497   HG23  VAL  54          HG23      VAL  54  -6.302 -14.115   9.202
  498    HA   PRO  55           HA       PRO  55  -1.451 -14.791  14.679
  499    HB2  PRO  55           HB2      PRO  55  -3.519 -16.409  16.153
  500    HB3  PRO  55           HB3      PRO  55  -2.083 -15.553  16.790
  501    HG2  PRO  55           HG2      PRO  55  -4.569 -14.494  17.090
  502    HG3  PRO  55           HG3      PRO  55  -3.178 -13.445  16.668
  503    HD2  PRO  55           HD2      PRO  55  -5.310 -14.565  14.832
  504    HD3  PRO  55           HD3      PRO  55  -4.624 -12.915  14.896
  505    H    ASP  56           H        ASP  56  -0.270 -16.558  14.048
  506    HA   ASP  56           HA       ASP  56  -1.070 -18.009  11.844
  507    HB2  ASP  56           HB2      ASP  56   0.954 -19.434  12.243
  508    HB3  ASP  56           HB3      ASP  56   1.195 -17.692  12.200
  509    H    HIS  57           H        HIS  57  -1.586 -19.061  15.128
  510    HA   HIS  57           HA       HIS  57  -2.270 -21.815  14.478
  511    HB2  HIS  57           HB2      HIS  57  -2.532 -20.101  16.974
  512    HB3  HIS  57           HB3      HIS  57  -3.187 -21.730  16.892
  513    HD1  HIS  57           HD1      HIS  57   0.371 -20.235  16.109
  514    HD2  HIS  57           HD2      HIS  57  -1.666 -23.442  17.980
  515    HE1  HIS  57           HE1      HIS  57   2.169 -21.729  17.173
  516    HE2  HIS  57           HE2      HIS  57   0.931 -23.683  18.305
  517    H    VAL  58           H        VAL  58  -4.111 -18.985  13.961
  518    HA   VAL  58           HA       VAL  58  -6.770 -19.981  14.617
  519    HB   VAL  58           HB       VAL  58  -5.757 -17.779  12.807
  520   HG11  VAL  58          HG11      VAL  58  -8.647 -18.470  13.426
  521   HG12  VAL  58          HG12      VAL  58  -8.116 -16.905  12.791
  522   HG13  VAL  58          HG13      VAL  58  -7.869 -18.359  11.830
  523   HG21  VAL  58          HG21      VAL  58  -7.193 -17.787  15.502
  524   HG22  VAL  58          HG22      VAL  58  -5.480 -17.399  15.235
  525   HG23  VAL  58          HG23      VAL  58  -6.743 -16.333  14.599
  526    H    ASN  59           H        ASN  59  -8.193 -21.140  13.383
  527    HA   ASN  59           HA       ASN  59  -7.203 -22.495  10.956
  528    HB2  ASN  59           HB2      ASN  59  -9.814 -22.683  12.495
  529    HB3  ASN  59           HB3      ASN  59  -9.440 -23.649  11.070
  530   HD21  ASN  59          HD21      ASN  59  -8.630 -25.643  14.120
  531   HD22  ASN  59          HD22      ASN  59 -10.077 -24.847  13.529
  532    H    MET  60           H        MET  60  -8.225 -22.458   8.863
  533    HA   MET  60           HA       MET  60  -8.871 -19.860   7.939
  534    HB2  MET  60           HB2      MET  60  -7.906 -21.690   6.590
  535    HB3  MET  60           HB3      MET  60  -9.436 -22.555   6.650
  536    HG2  MET  60           HG2      MET  60  -9.291 -21.479   4.538
  537    HG3  MET  60           HG3      MET  60 -10.535 -20.641   5.461
  538    HE1  MET  60           HE1      MET  60 -10.736 -18.438   4.392
  539    HE2  MET  60           HE2      MET  60 -10.402 -18.095   6.111
  540    HE3  MET  60           HE3      MET  60  -9.634 -17.125   4.836
  541    H    SER  61           H        SER  61 -11.194 -22.588   8.541
  542    HA   SER  61           HA       SER  61 -13.586 -21.131   8.099
  543    HB2  SER  61           HB2      SER  61 -14.607 -22.883   9.525
  544    HB3  SER  61           HB3      SER  61 -13.512 -23.551   8.300
  545    HG   SER  61           HG       SER  61 -13.217 -24.441  10.465
  546    H    GLU  62           H        GLU  62 -11.534 -21.275  11.004
  547    HA   GLU  62           HA       GLU  62 -13.310 -19.863  12.772
  548    HB2  GLU  62           HB2      GLU  62 -11.482 -21.288  13.516
  549    HB3  GLU  62           HB3      GLU  62 -10.306 -20.195  12.787
  550    HG2  GLU  62           HG2      GLU  62 -11.035 -18.406  14.376
  551    HG3  GLU  62           HG3      GLU  62 -12.103 -19.588  15.151
  552    H    LEU  63           H        LEU  63 -10.598 -18.661  10.690
  553    HA   LEU  63           HA       LEU  63 -10.961 -15.866  11.217
  554    HB2  LEU  63           HB2      LEU  63  -8.998 -16.701  10.005
  555    HB3  LEU  63           HB3      LEU  63 -10.016 -17.348   8.723
  556    HG   LEU  63           HG       LEU  63 -10.742 -14.970   8.162
  557   HD11  LEU  63          HD11      LEU  63 -10.215 -13.872  10.301
  558   HD12  LEU  63          HD12      LEU  63  -8.508 -14.283  10.113
  559   HD13  LEU  63          HD13      LEU  63  -9.281 -13.138   8.990
  560   HD21  LEU  63          HD21      LEU  63  -7.760 -15.498   7.989
  561   HD22  LEU  63          HD22      LEU  63  -8.994 -16.126   6.878
  562   HD23  LEU  63          HD23      LEU  63  -8.713 -14.387   6.968
  563    H    ILE  64           H        ILE  64 -12.511 -17.983   8.774
  564    HA   ILE  64           HA       ILE  64 -14.149 -15.999   7.548
  565    HB   ILE  64           HB       ILE  64 -14.449 -19.003   7.875
  566   HG12  ILE  64          HG12      ILE  64 -13.690 -17.178   5.573
  567   HG13  ILE  64          HG13      ILE  64 -12.581 -18.110   6.523
  568   HG21  ILE  64          HG21      ILE  64 -16.748 -18.137   7.633
  569   HG22  ILE  64          HG22      ILE  64 -16.239 -17.201   6.200
  570   HG23  ILE  64          HG23      ILE  64 -16.231 -18.982   6.190
  571   HD11  ILE  64          HD11      ILE  64 -13.722 -20.221   5.722
  572   HD12  ILE  64          HD12      ILE  64 -14.626 -19.195   4.570
  573   HD13  ILE  64          HD13      ILE  64 -12.867 -19.292   4.483
  574    H    LYS  65           H        LYS  65 -14.840 -17.994  10.438
  575    HA   LYS  65           HA       LYS  65 -17.497 -17.032  10.804
  576    HB2  LYS  65           HB2      LYS  65 -16.286 -19.090  11.803
  577    HB3  LYS  65           HB3      LYS  65 -15.668 -17.995  13.044
  578    HG2  LYS  65           HG2      LYS  65 -18.050 -17.379  13.595
  579    HG3  LYS  65           HG3      LYS  65 -18.596 -18.498  12.328
  580    HD2  LYS  65           HD2      LYS  65 -17.537 -20.395  13.557
  581    HD3  LYS  65           HD3      LYS  65 -16.946 -19.272  14.783
  582    HE2  LYS  65           HE2      LYS  65 -18.860 -20.344  15.701
  583    HE3  LYS  65           HE3      LYS  65 -19.309 -18.674  15.364
  584    HZ1  LYS  65           HZ1      LYS  65 -19.992 -21.009  13.630
  585    HZ2  LYS  65           HZ2      LYS  65 -21.021 -20.270  14.652
  586    HZ3  LYS  65           HZ3      LYS  65 -20.469 -19.468  13.345
  587    H    ILE  66           H        ILE  66 -14.426 -15.756  12.240
  588    HA   ILE  66           HA       ILE  66 -15.845 -13.616  13.601
  589    HB   ILE  66           HB       ILE  66 -13.809 -14.266  14.523
  590   HG12  ILE  66          HG12      ILE  66 -14.518 -11.796  14.587
  591   HG13  ILE  66          HG13      ILE  66 -12.923 -12.252  15.136
  592   HG21  ILE  66          HG21      ILE  66 -12.362 -13.468  11.965
  593   HG22  ILE  66          HG22      ILE  66 -11.573 -13.782  13.533
  594   HG23  ILE  66          HG23      ILE  66 -12.465 -15.070  12.723
  595   HD11  ILE  66          HD11      ILE  66 -13.485 -10.920  12.456
  596   HD12  ILE  66          HD12      ILE  66 -12.786 -10.179  13.906
  597   HD13  ILE  66          HD13      ILE  66 -11.902 -11.431  13.042
  598    H    ILE  67           H        ILE  67 -14.373 -13.771  10.335
  599    HA   ILE  67           HA       ILE  67 -14.973 -11.031   9.652
  600    HB   ILE  67           HB       ILE  67 -14.313 -13.531   8.146
  601   HG12  ILE  67          HG12      ILE  67 -12.588 -12.170   7.167
  602   HG13  ILE  67          HG13      ILE  67 -13.343 -10.682   7.727
  603   HG21  ILE  67          HG21      ILE  67 -14.633 -12.467   5.950
  604   HG22  ILE  67          HG22      ILE  67 -16.180 -12.743   6.744
  605   HG23  ILE  67          HG23      ILE  67 -15.478 -11.103   6.711
  606   HD11  ILE  67          HD11      ILE  67 -12.091 -12.740   9.577
  607   HD12  ILE  67          HD12      ILE  67 -11.283 -11.291   8.959
  608   HD13  ILE  67          HD13      ILE  67 -12.688 -11.125  10.025
  609    H    ARG  68           H        ARG  68 -17.047 -13.957   9.237
  610    HA   ARG  68           HA       ARG  68 -19.304 -12.603   8.154
  611    HB2  ARG  68           HB2      ARG  68 -18.881 -15.143   8.447
  612    HB3  ARG  68           HB3      ARG  68 -19.458 -14.955  10.105
  613    HG2  ARG  68           HG2      ARG  68 -21.586 -13.925   9.067
  614    HG3  ARG  68           HG3      ARG  68 -20.979 -14.477   7.506
  615    HD2  ARG  68           HD2      ARG  68 -20.787 -16.762   9.080
  616    HD3  ARG  68           HD3      ARG  68 -22.205 -15.991   9.764
  617    HE   ARG  68           HE       ARG  68 -21.988 -17.406   7.272
  618   HH11  ARG  68          HH11      ARG  68 -23.776 -17.675   5.918
  619   HH12  ARG  68          HH12      ARG  68 -25.045 -16.466   5.952
  620   HH21  ARG  68          HH21      ARG  68 -23.818 -14.706   8.584
  621   HH22  ARG  68          HH22      ARG  68 -25.148 -14.982   7.488
  622    H    ARG  69           H        ARG  69 -18.452 -13.123  11.578
  623    HA   ARG  69           HA       ARG  69 -20.692 -11.725  12.716
  624    HB2  ARG  69           HB2      ARG  69 -19.334 -13.403  13.891
  625    HB3  ARG  69           HB3      ARG  69 -17.940 -12.315  13.901
  626    HG2  ARG  69           HG2      ARG  69 -19.098 -10.738  15.359
  627    HG3  ARG  69           HG3      ARG  69 -20.625 -11.608  15.164
  628    HD2  ARG  69           HD2      ARG  69 -19.689 -12.113  17.331
  629    HD3  ARG  69           HD3      ARG  69 -19.705 -13.557  16.328
  630    HE   ARG  69           HE       ARG  69 -17.263 -11.847  16.794
  631   HH11  ARG  69          HH11      ARG  69 -18.617 -15.082  16.722
  632   HH12  ARG  69          HH12      ARG  69 -17.098 -15.821  17.154
  633   HH21  ARG  69          HH21      ARG  69 -15.366 -12.861  17.340
  634   HH22  ARG  69          HH22      ARG  69 -15.310 -14.590  17.470
  635    H    ARG  70           H        ARG  70 -17.363 -10.506  12.047
  636    HA   ARG  70           HA       ARG  70 -17.903  -7.799  12.948
  637    HB2  ARG  70           HB2      ARG  70 -15.822  -8.950  11.032
  638    HB3  ARG  70           HB3      ARG  70 -15.847  -7.255  11.498
  639    HG2  ARG  70           HG2      ARG  70 -15.612  -9.526  13.516
  640    HG3  ARG  70           HG3      ARG  70 -14.239  -8.700  12.768
  641    HD2  ARG  70           HD2      ARG  70 -14.832  -6.592  13.766
  642    HD3  ARG  70           HD3      ARG  70 -16.341  -7.230  14.394
  643    HE   ARG  70           HE       ARG  70 -13.576  -7.883  15.342
  644   HH11  ARG  70          HH11      ARG  70 -17.031  -8.124  15.989
  645   HH12  ARG  70          HH12      ARG  70 -16.776  -8.505  17.664
  646   HH21  ARG  70          HH21      ARG  70 -13.359  -8.264  17.553
  647   HH22  ARG  70          HH22      ARG  70 -14.766  -8.662  18.484
  648    H    LEU  71           H        LEU  71 -18.420  -9.319   9.808
  649    HA   LEU  71           HA       LEU  71 -19.449  -6.872   8.561
  650    HB2  LEU  71           HB2      LEU  71 -19.579  -9.815   7.791
  651    HB3  LEU  71           HB3      LEU  71 -20.177  -8.503   6.776
  652    HG   LEU  71           HG       LEU  71 -17.258  -8.764   7.618
  653   HD11  LEU  71          HD11      LEU  71 -16.924  -9.508   5.271
  654   HD12  LEU  71          HD12      LEU  71 -17.960 -10.629   6.180
  655   HD13  LEU  71          HD13      LEU  71 -18.688  -9.490   5.027
  656   HD21  LEU  71          HD21      LEU  71 -18.688  -6.963   5.615
  657   HD22  LEU  71          HD22      LEU  71 -17.823  -6.456   7.086
  658   HD23  LEU  71          HD23      LEU  71 -16.925  -7.146   5.731
  659    H    GLN  72           H        GLN  72 -20.781  -8.494  11.095
  660    HA   GLN  72           HA       GLN  72 -22.807  -8.734  12.000
  661    HB2  GLN  72           HB2      GLN  72 -23.662  -6.513  10.122
  662    HB3  GLN  72           HB3      GLN  72 -24.509  -7.036  11.571
  663    HG2  GLN  72           HG2      GLN  72 -22.566  -6.397  12.980
  664    HG3  GLN  72           HG3      GLN  72 -21.703  -5.833  11.549
  665   HE21  GLN  72          HE21      GLN  72 -23.107  -2.766  12.967
  666   HE22  GLN  72          HE22      GLN  72 -21.829  -3.915  13.330
  667    H    LEU  73           H        LEU  73 -22.276 -10.394   9.521
  668    HA   LEU  73           HA       LEU  73 -24.903 -10.603   8.231
  669    HB2  LEU  73           HB2      LEU  73 -22.353 -12.192   7.827
  670    HB3  LEU  73           HB3      LEU  73 -23.806 -12.333   6.833
  671    HG   LEU  73           HG       LEU  73 -22.134  -9.806   7.148
  672   HD11  LEU  73          HD11      LEU  73 -21.281 -10.228   4.934
  673   HD12  LEU  73          HD12      LEU  73 -20.934 -11.620   5.975
  674   HD13  LEU  73          HD13      LEU  73 -22.266 -11.698   4.796
  675   HD21  LEU  73          HD21      LEU  73 -24.446  -9.243   6.525
  676   HD22  LEU  73          HD22      LEU  73 -23.371  -9.021   5.142
  677   HD23  LEU  73          HD23      LEU  73 -24.405 -10.463   5.221
  678    H    ASN  74           H        ASN  74 -26.424 -11.357   9.530
  679    HA   ASN  74           HA       ASN  74 -26.200 -13.455  11.465
  680    HB2  ASN  74           HB2      ASN  74 -27.908 -11.619  11.395
  681    HB3  ASN  74           HB3      ASN  74 -28.626 -12.343   9.955
  682   HD21  ASN  74          HD21      ASN  74 -29.740 -13.694  13.578
  683   HD22  ASN  74          HD22      ASN  74 -28.656 -12.321  13.403
  684    H    ALA  75           H        ALA  75 -27.058 -15.663  11.372
  685    HA   ALA  75           HA       ALA  75 -26.302 -17.188   9.119
  686    HB1  ALA  75           HB1      ALA  75 -27.453 -19.023  10.316
  687    HB2  ALA  75           HB2      ALA  75 -26.487 -18.036  11.430
  688    HB3  ALA  75           HB3      ALA  75 -28.261 -17.846  11.369
  689    H    ASN  76           H        ASN  76 -29.378 -15.570   9.717
  690    HA   ASN  76           HA       ASN  76 -31.016 -16.876   7.794
  691    HB2  ASN  76           HB2      ASN  76 -31.855 -15.380   9.545
  692    HB3  ASN  76           HB3      ASN  76 -30.956 -14.019   8.870
  693   HD21  ASN  76          HD21      ASN  76 -34.505 -15.119   7.164
  694   HD22  ASN  76          HD22      ASN  76 -33.711 -16.209   8.298
  695    H    GLN  77           H        GLN  77 -28.429 -14.497   7.274
  696    HA   GLN  77           HA       GLN  77 -29.288 -14.170   4.439
  697    HB2  GLN  77           HB2      GLN  77 -27.875 -12.159   4.374
  698    HB3  GLN  77           HB3      GLN  77 -29.300 -12.083   5.406
  699    HG2  GLN  77           HG2      GLN  77 -27.844 -12.455   7.418
  700    HG3  GLN  77           HG3      GLN  77 -26.418 -12.343   6.365
  701   HE21  GLN  77          HE21      GLN  77 -27.563  -8.709   5.821
  702   HE22  GLN  77          HE22      GLN  77 -27.659 -10.061   4.712
  703    H    ALA  78           H        ALA  78 -28.031 -14.530   2.730
  704    HA   ALA  78           HA       ALA  78 -26.184 -16.699   3.008
  705    HB1  ALA  78           HB1      ALA  78 -26.164 -16.634   0.542
  706    HB2  ALA  78           HB2      ALA  78 -27.816 -16.526   1.183
  707    HB3  ALA  78           HB3      ALA  78 -27.001 -15.069   0.566
  708    H    PHE  79           H        PHE  79 -24.029 -16.852   2.768
  709    HA   PHE  79           HA       PHE  79 -22.355 -14.719   1.828
  710    HB2  PHE  79           HB2      PHE  79 -22.476 -13.615   3.760
  711    HB3  PHE  79           HB3      PHE  79 -22.755 -15.038   4.732
  712    HD1  PHE  79           HD1      PHE  79 -20.202 -12.699   3.585
  713    HD2  PHE  79           HD2      PHE  79 -20.873 -16.589   5.315
  714    HE1  PHE  79           HE1      PHE  79 -17.899 -12.691   4.531
  715    HE2  PHE  79           HE2      PHE  79 -18.581 -16.589   6.231
  716    HZ   PHE  79           HZ       PHE  79 -17.093 -14.636   5.864
  717    H    PHE  80           H        PHE  80 -20.355 -15.173   1.231
  718    HA   PHE  80           HA       PHE  80 -19.033 -17.671   2.135
  719    HB2  PHE  80           HB2      PHE  80 -19.271 -16.833  -0.784
  720    HB3  PHE  80           HB3      PHE  80 -18.342 -18.193  -0.167
  721    HD1  PHE  80           HD1      PHE  80 -21.678 -16.968  -1.081
  722    HD2  PHE  80           HD2      PHE  80 -19.491 -20.235   0.687
  723    HE1  PHE  80           HE1      PHE  80 -23.652 -18.451  -1.380
  724    HE2  PHE  80           HE2      PHE  80 -21.467 -21.714   0.391
  725    HZ   PHE  80           HZ       PHE  80 -23.548 -20.820  -0.635
  726    H    LEU  81           H        LEU  81 -16.910 -17.326   2.559
  727    HA   LEU  81           HA       LEU  81 -15.613 -14.796   1.636
  728    HB2  LEU  81           HB2      LEU  81 -15.694 -15.109   4.030
  729    HB3  LEU  81           HB3      LEU  81 -14.960 -16.691   3.892
  730    HG   LEU  81           HG       LEU  81 -13.461 -14.970   4.774
  731   HD11  LEU  81          HD11      LEU  81 -11.513 -15.567   3.701
  732   HD12  LEU  81          HD12      LEU  81 -12.585 -16.923   3.326
  733   HD13  LEU  81          HD13      LEU  81 -12.249 -15.676   2.096
  734   HD21  LEU  81          HD21      LEU  81 -13.542 -13.608   2.054
  735   HD22  LEU  81          HD22      LEU  81 -14.316 -13.016   3.545
  736   HD23  LEU  81          HD23      LEU  81 -12.553 -13.156   3.459
  737    H    LEU  82           H        LEU  82 -14.250 -14.906   0.048
  738    HA   LEU  82           HA       LEU  82 -13.490 -17.534  -1.069
  739    HB2  LEU  82           HB2      LEU  82 -13.719 -14.925  -2.577
  740    HB3  LEU  82           HB3      LEU  82 -13.785 -16.564  -3.205
  741    HG   LEU  82           HG       LEU  82 -15.974 -15.149  -1.586
  742   HD11  LEU  82          HD11      LEU  82 -15.705 -14.343  -3.919
  743   HD12  LEU  82          HD12      LEU  82 -15.833 -16.009  -4.511
  744   HD13  LEU  82          HD13      LEU  82 -17.211 -15.234  -3.704
  745   HD21  LEU  82          HD21      LEU  82 -16.052 -17.582  -1.151
  746   HD22  LEU  82          HD22      LEU  82 -17.357 -17.134  -2.257
  747   HD23  LEU  82          HD23      LEU  82 -15.895 -17.921  -2.888
  748    H    VAL  83           H        VAL  83 -11.391 -17.996  -0.535
  749    HA   VAL  83           HA       VAL  83  -9.322 -15.875  -0.407
  750    HB   VAL  83           HB       VAL  83  -8.897 -18.858  -0.133
  751   HG11  VAL  83          HG11      VAL  83  -6.835 -18.169   1.045
  752   HG12  VAL  83          HG12      VAL  83  -6.839 -17.588  -0.621
  753   HG13  VAL  83          HG13      VAL  83  -7.198 -16.462   0.704
  754   HG21  VAL  83          HG21      VAL  83 -10.447 -18.160   1.642
  755   HG22  VAL  83          HG22      VAL  83  -8.836 -18.432   2.320
  756   HG23  VAL  83          HG23      VAL  83  -9.417 -16.775   2.036
  757    H    ASN  84           H        ASN  84  -7.985 -15.348  -2.079
  758    HA   ASN  84           HA       ASN  84  -7.558 -15.048  -4.317
  759    HB2  ASN  84           HB2      ASN  84  -5.942 -16.800  -3.472
  760    HB3  ASN  84           HB3      ASN  84  -6.961 -18.029  -4.223
  761   HD21  ASN  84          HD21      ASN  84  -4.332 -17.385  -6.671
  762   HD22  ASN  84          HD22      ASN  84  -4.543 -18.180  -5.102
  763    H    GLY  85           H        GLY  85 -10.194 -15.018  -4.037
  764    HA2  GLY  85           HA2      GLY  85 -12.107 -14.985  -5.284
  765    HA3  GLY  85           HA3      GLY  85 -11.206 -15.667  -6.633
  766    H    HIS  86           H        HIS  86 -11.038 -17.860  -3.987
  767    HA   HIS  86           HA       HIS  86 -13.444 -19.374  -4.955
  768    HB2  HIS  86           HB2      HIS  86 -10.645 -20.444  -4.437
  769    HB3  HIS  86           HB3      HIS  86 -12.064 -21.430  -4.782
  770    HD1  HIS  86           HD1      HIS  86  -9.696 -18.954  -6.580
  771    HD2  HIS  86           HD2      HIS  86 -13.043 -21.451  -7.280
  772    HE1  HIS  86           HE1      HIS  86  -9.959 -19.123  -9.137
  773    HE2  HIS  86           HE2      HIS  86 -12.002 -20.641  -9.557
  774    H    SER  87           H        SER  87 -14.616 -20.573  -3.516
  775    HA   SER  87           HA       SER  87 -14.696 -19.508  -0.859
  776    HB2  SER  87           HB2      SER  87 -16.705 -20.268  -2.023
  777    HB3  SER  87           HB3      SER  87 -16.110 -21.943  -1.981
  778    HG   SER  87           HG       SER  87 -17.509 -21.577  -0.229
  779    H    MET  88           H        MET  88 -14.041 -20.173   1.074
  780    HA   MET  88           HA       MET  88 -12.733 -22.858   1.383
  781    HB2  MET  88           HB2      MET  88 -11.779 -20.210   2.529
  782    HB3  MET  88           HB3      MET  88 -11.077 -21.783   2.903
  783    HG2  MET  88           HG2      MET  88 -11.184 -20.601   0.101
  784    HG3  MET  88           HG3      MET  88  -9.834 -20.417   1.205
  785    HE1  MET  88           HE1      MET  88  -8.812 -22.705   2.468
  786    HE2  MET  88           HE2      MET  88  -7.951 -23.671   1.247
  787    HE3  MET  88           HE3      MET  88  -7.794 -21.906   1.249
  788    H    VAL  89           H        VAL  89 -15.516 -21.812   2.069
  789    HA   VAL  89           HA       VAL  89 -15.793 -21.129   4.720
  790    HB   VAL  89           HB       VAL  89 -17.467 -21.030   2.865
  791   HG11  VAL  89          HG11      VAL  89 -19.140 -22.773   2.668
  792   HG12  VAL  89          HG12      VAL  89 -17.556 -23.466   2.302
  793   HG13  VAL  89          HG13      VAL  89 -18.324 -23.778   3.878
  794   HG21  VAL  89          HG21      VAL  89 -18.478 -21.917   5.589
  795   HG22  VAL  89          HG22      VAL  89 -17.977 -20.272   5.137
  796   HG23  VAL  89          HG23      VAL  89 -19.387 -21.004   4.368
  797    H    SER  90           H        SER  90 -15.563 -24.494   3.650
  798    HA   SER  90           HA       SER  90 -16.031 -25.450   6.420
  799    HB2  SER  90           HB2      SER  90 -15.759 -26.940   3.783
  800    HB3  SER  90           HB3      SER  90 -16.102 -27.690   5.354
  801    HG   SER  90           HG       SER  90 -18.032 -27.274   4.194
  802    H    VAL  91           H        VAL  91 -13.287 -24.306   5.048
  803    HA   VAL  91           HA       VAL  91 -11.541 -26.633   5.293
  804    HB   VAL  91           HB       VAL  91 -10.910 -23.716   4.714
  805   HG11  VAL  91          HG11      VAL  91  -9.162 -26.208   4.520
  806   HG12  VAL  91          HG12      VAL  91  -8.761 -24.632   3.810
  807   HG13  VAL  91          HG13      VAL  91  -8.888 -24.788   5.561
  808   HG21  VAL  91          HG21      VAL  91 -12.305 -24.824   2.971
  809   HG22  VAL  91          HG22      VAL  91 -10.665 -24.541   2.387
  810   HG23  VAL  91          HG23      VAL  91 -11.146 -26.167   2.898
  811    H    SER  92           H        SER  92 -10.787 -27.411   7.140
  812    HA   SER  92           HA       SER  92 -10.644 -25.863   9.595
  813    HB2  SER  92           HB2      SER  92  -9.868 -27.997  10.552
  814    HB3  SER  92           HB3      SER  92 -11.342 -28.189   9.588
  815    HG   SER  92           HG       SER  92  -9.757 -29.814   9.115
  816    H    THR  93           H        THR  93  -8.341 -26.439   7.057
  817    HA   THR  93           HA       THR  93  -5.948 -26.621   8.244
  818    HB   THR  93           HB       THR  93  -6.289 -24.824   5.869
  819    HG1  THR  93           HG1      THR  93  -6.399 -26.778   4.664
  820   HG21  THR  93          HG21      THR  93  -3.977 -25.143   6.542
  821   HG22  THR  93          HG22      THR  93  -4.191 -26.916   6.586
  822   HG23  THR  93          HG23      THR  93  -4.285 -26.027   5.047
  823    HA   PRO  94           HA       PRO  94  -4.936 -22.910  10.529
  824    HB2  PRO  94           HB2      PRO  94  -2.100 -23.601   9.735
  825    HB3  PRO  94           HB3      PRO  94  -2.734 -23.096  11.335
  826    HG2  PRO  94           HG2      PRO  94  -2.246 -25.710  10.862
  827    HG3  PRO  94           HG3      PRO  94  -3.774 -25.233  11.673
  828    HD2  PRO  94           HD2      PRO  94  -3.328 -25.910   8.755
  829    HD3  PRO  94           HD3      PRO  94  -4.613 -26.476   9.870
  830    H    ILE  95           H        ILE  95  -4.618 -20.770  10.091
  831    HA   ILE  95           HA       ILE  95  -4.857 -19.898   7.416
  832    HB   ILE  95           HB       ILE  95  -5.681 -18.920   9.585
  833   HG12  ILE  95          HG12      ILE  95  -5.925 -17.816   7.373
  834   HG13  ILE  95          HG13      ILE  95  -6.086 -16.838   8.823
  835   HG21  ILE  95          HG21      ILE  95  -2.954 -17.569   9.767
  836   HG22  ILE  95          HG22      ILE  95  -4.381 -17.236  10.770
  837   HG23  ILE  95          HG23      ILE  95  -3.599 -18.806  10.868
  838   HD11  ILE  95          HD11      ILE  95  -4.933 -15.635   7.043
  839   HD12  ILE  95          HD12      ILE  95  -3.889 -15.818   8.459
  840   HD13  ILE  95          HD13      ILE  95  -3.641 -16.843   7.026
  841    H    SER  96           H        SER  96  -1.907 -20.209   9.405
  842    HA   SER  96           HA       SER  96  -0.111 -18.788   7.659
  843    HB2  SER  96           HB2      SER  96   1.625 -20.113   8.861
  844    HB3  SER  96           HB3      SER  96   0.487 -19.287   9.943
  845    HG   SER  96           HG       SER  96   0.887 -21.555  10.489
  846    H    GLU  97           H        GLU  97  -1.208 -22.203   7.690
  847    HA   GLU  97           HA       GLU  97   0.529 -23.021   5.512
  848    HB2  GLU  97           HB2      GLU  97  -0.283 -24.645   7.123
  849    HB3  GLU  97           HB3      GLU  97  -1.949 -24.232   6.755
  850    HG2  GLU  97           HG2      GLU  97  -1.454 -26.330   5.747
  851    HG3  GLU  97           HG3      GLU  97  -1.718 -25.152   4.477
  852    H    VAL  98           H        VAL  98  -2.832 -21.797   5.664
  853    HA   VAL  98           HA       VAL  98  -3.310 -21.949   2.818
  854    HB   VAL  98           HB       VAL  98  -4.478 -19.914   4.742
  855   HG11  VAL  98          HG11      VAL  98  -6.333 -19.830   3.107
  856   HG12  VAL  98          HG12      VAL  98  -4.818 -19.304   2.369
  857   HG13  VAL  98          HG13      VAL  98  -5.443 -20.933   2.029
  858   HG21  VAL  98          HG21      VAL  98  -6.434 -21.472   4.805
  859   HG22  VAL  98          HG22      VAL  98  -5.481 -22.677   3.911
  860   HG23  VAL  98          HG23      VAL  98  -5.003 -22.182   5.546
  861    H    TYR  99           H        TYR  99  -1.805 -19.371   4.845
  862    HA   TYR  99           HA       TYR  99  -1.123 -17.680   2.677
  863    HB2  TYR  99           HB2      TYR  99  -0.866 -16.589   4.655
  864    HB3  TYR  99           HB3      TYR  99  -0.113 -17.949   5.455
  865    HD1  TYR  99           HD1      TYR  99   0.583 -15.625   2.562
  866    HD2  TYR  99           HD2      TYR  99   2.186 -17.894   5.866
  867    HE1  TYR  99           HE1      TYR  99   2.879 -14.791   2.038
  868    HE2  TYR  99           HE2      TYR  99   4.459 -17.049   5.345
  869    HH   TYR  99           HH       TYR  99   5.735 -15.657   4.005
  870    H    GLU 100           H        GLU 100   0.919 -20.307   4.005
  871    HA   GLU 100           HA       GLU 100   3.067 -19.948   2.247
  872    HB2  GLU 100           HB2      GLU 100   3.150 -21.359   4.232
  873    HB3  GLU 100           HB3      GLU 100   1.924 -22.431   3.571
  874    HG2  GLU 100           HG2      GLU 100   4.049 -23.499   3.427
  875    HG3  GLU 100           HG3      GLU 100   3.445 -23.188   1.809
  876    H    SER 101           H        SER 101   0.009 -21.669   1.628
  877    HA   SER 101           HA       SER 101   0.770 -22.629  -1.014
  878    HB2  SER 101           HB2      SER 101  -0.940 -23.747   0.332
  879    HB3  SER 101           HB3      SER 101  -1.954 -22.292   0.292
  880    HG   SER 101           HG       SER 101  -2.502 -23.906  -1.322
  881    H    GLU 102           H        GLU 102  -1.306 -19.897   0.091
  882    HA   GLU 102           HA       GLU 102  -1.579 -18.883  -2.679
  883    HB2  GLU 102           HB2      GLU 102  -2.920 -18.086  -0.088
  884    HB3  GLU 102           HB3      GLU 102  -3.350 -17.460  -1.677
  885    HG2  GLU 102           HG2      GLU 102  -3.625 -20.362  -0.777
  886    HG3  GLU 102           HG3      GLU 102  -4.909 -19.173  -0.834
  887    H    LYS 103           H        LYS 103   1.015 -18.597  -1.445
  888    HA   LYS 103           HA       LYS 103   1.510 -15.906  -0.654
  889    HB2  LYS 103           HB2      LYS 103   2.866 -17.927  -0.201
  890    HB3  LYS 103           HB3      LYS 103   3.334 -17.999  -1.902
  891    HG2  LYS 103           HG2      LYS 103   4.461 -15.789  -1.686
  892    HG3  LYS 103           HG3      LYS 103   4.008 -15.726   0.026
  893    HD2  LYS 103           HD2      LYS 103   5.723 -17.876  -1.290
  894    HD3  LYS 103           HD3      LYS 103   6.342 -16.512  -0.333
  895    HE2  LYS 103           HE2      LYS 103   5.083 -17.366   1.660
  896    HE3  LYS 103           HE3      LYS 103   4.492 -18.722   0.690
  897    HZ1  LYS 103           HZ1      LYS 103   7.306 -18.246   1.491
  898    HZ2  LYS 103           HZ2      LYS 103   6.323 -19.511   1.890
  899    HZ3  LYS 103           HZ3      LYS 103   6.877 -19.361   0.362
  900    H    ASP 104           H        ASP 104   2.033 -14.114  -1.750
  901    HA   ASP 104           HA       ASP 104   2.488 -14.123  -4.656
  902    HB2  ASP 104           HB2      ASP 104   0.207 -12.802  -3.257
  903    HB3  ASP 104           HB3      ASP 104   0.919 -11.991  -4.647
  904    H    GLU 105           H        GLU 105   3.257 -12.149  -5.647
  905    HA   GLU 105           HA       GLU 105   5.755 -11.574  -4.481
  906    HB2  GLU 105           HB2      GLU 105   4.264 -10.135  -6.711
  907    HB3  GLU 105           HB3      GLU 105   5.963  -9.891  -6.357
  908    HG2  GLU 105           HG2      GLU 105   4.696 -12.534  -7.211
  909    HG3  GLU 105           HG3      GLU 105   5.551 -11.417  -8.266
  910    H    ASP 106           H        ASP 106   2.817  -9.577  -4.268
  911    HA   ASP 106           HA       ASP 106   4.256  -7.289  -3.084
  912    HB2  ASP 106           HB2      ASP 106   2.088  -6.245  -2.922
  913    HB3  ASP 106           HB3      ASP 106   2.324  -6.910  -4.534
  914    H    GLY 107           H        GLY 107   3.548 -10.266  -1.936
  915    HA2  GLY 107           HA2      GLY 107   4.011 -11.082   0.166
  916    HA3  GLY 107           HA3      GLY 107   3.896  -9.470   0.855
  917    H    PHE 108           H        PHE 108   2.654 -12.350   1.212
  918    HA   PHE 108           HA       PHE 108   0.955 -13.183   2.297
  919    HB2  PHE 108           HB2      PHE 108   0.871 -10.405   3.317
  920    HB3  PHE 108           HB3      PHE 108  -0.266 -11.598   3.889
  921    HD1  PHE 108           HD1      PHE 108   3.251 -10.606   3.881
  922    HD2  PHE 108           HD2      PHE 108   0.474 -13.695   5.003
  923    HE1  PHE 108           HE1      PHE 108   4.962 -11.589   5.393
  924    HE2  PHE 108           HE2      PHE 108   2.203 -14.684   6.509
  925    HZ   PHE 108           HZ       PHE 108   4.422 -13.628   6.716
  926    H    LEU 109           H        LEU 109  -1.604 -12.712   3.129
  927    HA   LEU 109           HA       LEU 109  -2.711 -14.047   0.804
  928    HB2  LEU 109           HB2      LEU 109  -3.564 -13.493   3.643
  929    HB3  LEU 109           HB3      LEU 109  -4.766 -14.103   2.523
  930    HG   LEU 109           HG       LEU 109  -2.114 -15.533   2.863
  931   HD11  LEU 109          HD11      LEU 109  -3.251 -17.013   4.496
  932   HD12  LEU 109          HD12      LEU 109  -3.140 -15.345   5.098
  933   HD13  LEU 109          HD13      LEU 109  -4.678 -15.972   4.458
  934   HD21  LEU 109          HD21      LEU 109  -4.913 -16.462   2.042
  935   HD22  LEU 109          HD22      LEU 109  -3.574 -16.129   0.920
  936   HD23  LEU 109          HD23      LEU 109  -3.436 -17.448   2.086
  937    H    TYR 110           H        TYR 110  -4.543 -13.757  -0.310
  938    HA   TYR 110           HA       TYR 110  -5.999 -11.194  -0.116
  939    HB2  TYR 110           HB2      TYR 110  -5.065 -12.576  -2.601
  940    HB3  TYR 110           HB3      TYR 110  -6.548 -11.652  -2.622
  941    HD1  TYR 110           HD1      TYR 110  -2.902 -11.435  -2.463
  942    HD2  TYR 110           HD2      TYR 110  -6.601  -9.217  -2.224
  943    HE1  TYR 110           HE1      TYR 110  -1.675  -9.335  -2.886
  944    HE2  TYR 110           HE2      TYR 110  -5.358  -7.102  -2.629
  945    HH   TYR 110           HH       TYR 110  -1.832  -7.072  -3.274
  946    H    MET 111           H        MET 111  -8.109 -11.164   0.166
  947    HA   MET 111           HA       MET 111  -9.713 -13.603  -0.454
  948    HB2  MET 111           HB2      MET 111  -9.879 -12.072   2.182
  949    HB3  MET 111           HB3      MET 111 -10.772 -13.527   1.723
  950    HG2  MET 111           HG2      MET 111  -8.564 -14.746   1.606
  951    HG3  MET 111           HG3      MET 111  -7.787 -13.300   2.252
  952    HE1  MET 111           HE1      MET 111  -7.433 -15.788   5.154
  953    HE2  MET 111           HE2      MET 111  -7.436 -16.210   3.429
  954    HE3  MET 111           HE3      MET 111  -6.624 -14.728   3.987
  955    H    VAL 112           H        VAL 112 -11.879 -13.200  -1.010
  956    HA   VAL 112           HA       VAL 112 -12.874 -10.451  -0.654
  957    HB   VAL 112           HB       VAL 112 -13.857 -10.215  -2.782
  958   HG11  VAL 112          HG11      VAL 112 -11.426  -9.633  -2.651
  959   HG12  VAL 112          HG12      VAL 112 -11.033 -11.228  -3.323
  960   HG13  VAL 112          HG13      VAL 112 -11.963 -10.063  -4.278
  961   HG21  VAL 112          HG21      VAL 112 -12.833 -12.981  -3.498
  962   HG22  VAL 112          HG22      VAL 112 -14.536 -12.507  -3.274
  963   HG23  VAL 112          HG23      VAL 112 -13.599 -11.846  -4.620
  964    H    TYR 113           H        TYR 113 -15.225 -10.271  -0.341
  965    HA   TYR 113           HA       TYR 113 -16.414 -12.974   0.322
  966    HB2  TYR 113           HB2      TYR 113 -17.391 -12.119   2.270
  967    HB3  TYR 113           HB3      TYR 113 -15.705 -11.654   2.330
  968    HD1  TYR 113           HD1      TYR 113 -15.036  -9.271   1.971
  969    HD2  TYR 113           HD2      TYR 113 -19.150 -10.506   2.158
  970    HE1  TYR 113           HE1      TYR 113 -15.725  -6.912   2.462
  971    HE2  TYR 113           HE2      TYR 113 -19.848  -8.152   2.623
  972    HH   TYR 113           HH       TYR 113 -19.147  -5.954   2.922
  973    H    ALA 114           H        ALA 114 -18.598 -13.256   0.002
  974    HA   ALA 114           HA       ALA 114 -20.108 -11.262  -1.609
  975    HB1  ALA 114           HB1      ALA 114 -20.121 -12.789  -3.544
  976    HB2  ALA 114           HB2      ALA 114 -18.435 -12.501  -3.090
  977    HB3  ALA 114           HB3      ALA 114 -19.198 -14.003  -2.614
  978    H    SER 115           H        SER 115 -22.293 -12.033  -2.214
  979    HA   SER 115           HA       SER 115 -23.591 -13.802  -0.271
  980    HB2  SER 115           HB2      SER 115 -25.606 -13.240  -1.624
  981    HB3  SER 115           HB3      SER 115 -24.720 -11.812  -1.054
  982    HG   SER 115           HG       SER 115 -25.322 -11.707  -3.300
  983    H    GLN 116           H        GLN 116 -21.993 -14.292  -3.244
  984    HA   GLN 116           HA       GLN 116 -22.644 -17.128  -3.432
  985    HB2  GLN 116           HB2      GLN 116 -23.000 -16.643  -6.038
  986    HB3  GLN 116           HB3      GLN 116 -24.332 -16.743  -4.892
  987    HG2  GLN 116           HG2      GLN 116 -24.596 -14.898  -6.490
  988    HG3  GLN 116           HG3      GLN 116 -24.576 -14.341  -4.827
  989   HE21  GLN 116          HE21      GLN 116 -22.041 -12.011  -5.604
  990   HE22  GLN 116          HE22      GLN 116 -23.445 -12.432  -4.616
  991    H    GLU 117           H        GLU 117 -21.100 -18.284  -4.885
  992    HA   GLU 117           HA       GLU 117 -18.480 -17.177  -4.455
  993    HB2  GLU 117           HB2      GLU 117 -18.996 -19.555  -4.327
  994    HB3  GLU 117           HB3      GLU 117 -19.313 -19.611  -6.072
  995    HG2  GLU 117           HG2      GLU 117 -17.008 -19.166  -6.592
  996    HG3  GLU 117           HG3      GLU 117 -16.659 -18.682  -4.930
  997    H    THR 118           H        THR 118 -20.532 -17.104  -7.338
  998    HA   THR 118           HA       THR 118 -18.721 -15.286  -8.756
  999    HB   THR 118           HB       THR 118 -19.101 -16.813 -10.877
 1000    HG1  THR 118           HG1      THR 118 -18.980 -19.016 -10.465
 1001   HG21  THR 118          HG21      THR 118 -16.918 -17.647  -8.933
 1002   HG22  THR 118          HG22      THR 118 -16.910 -17.792 -10.702
 1003   HG23  THR 118          HG23      THR 118 -16.867 -16.190  -9.949
 1004    H    PHE 119           H        PHE 119 -20.080 -13.884  -9.798
 1005    HA   PHE 119           HA       PHE 119 -22.881 -14.282  -9.398
 1006    HB2  PHE 119           HB2      PHE 119 -22.008 -12.170  -8.975
 1007    HB3  PHE 119           HB3      PHE 119 -21.331 -12.023 -10.597
 1008    HD1  PHE 119           HD1      PHE 119 -24.585 -12.554  -8.847
 1009    HD2  PHE 119           HD2      PHE 119 -22.555 -10.794 -12.222
 1010    HE1  PHE 119           HE1      PHE 119 -26.704 -11.435  -9.542
 1011    HE2  PHE 119           HE2      PHE 119 -24.672  -9.691 -12.923
 1012    HZ   PHE 119           HZ       PHE 119 -26.746 -10.007 -11.580
 1013    H    GLY 120           H        GLY 120 -21.006 -14.587 -12.338
 1014    HA2  GLY 120           HA2      GLY 120 -22.849 -16.274 -13.648
 1015    HA3  GLY 120           HA3      GLY 120 -23.131 -14.643 -14.252
 1016    H1   ASP  10           H1       ASP  10 -10.869   3.493  16.079
 1017    H2   ASP  10           H2       ASP  10 -10.749   2.063  15.295
 1018    H3   ASP  10           H3       ASP  10 -10.249   2.194  16.854
 1019    HA   ASP  10           HA       ASP  10  -9.073   3.627  14.572
 1020    HB2  ASP  10           HB2      ASP  10  -8.227   3.685  17.461
 1021    HB3  ASP  10           HB3      ASP  10  -7.159   4.150  16.135
 1022    H    TYR  11           H        TYR  11  -7.570   1.347  16.933
 1023    HA   TYR  11           HA       TYR  11  -5.811   0.567  14.880
 1024    HB2  TYR  11           HB2      TYR  11  -6.037  -0.320  17.700
 1025    HB3  TYR  11           HB3      TYR  11  -4.920  -1.103  16.612
 1026    HD1  TYR  11           HD1      TYR  11  -5.057   1.353  19.015
 1027    HD2  TYR  11           HD2      TYR  11  -3.544   0.778  14.994
 1028    HE1  TYR  11           HE1      TYR  11  -3.371   3.137  19.380
 1029    HE2  TYR  11           HE2      TYR  11  -1.872   2.554  15.378
 1030    HH   TYR  11           HH       TYR  11  -1.632   4.346  18.482
 1031    H    GLU  12           H        GLU  12  -8.701  -0.341  14.572
 1032    HA   GLU  12           HA       GLU  12  -8.366  -3.066  13.560
 1033    HB2  GLU  12           HB2      GLU  12 -10.555  -2.748  12.611
 1034    HB3  GLU  12           HB3      GLU  12 -10.536  -2.210  14.288
 1035    HG2  GLU  12           HG2      GLU  12  -9.963   0.144  12.857
 1036    HG3  GLU  12           HG3      GLU  12 -11.022  -0.714  11.756
 1037    H    SER  13           H        SER  13  -7.333   0.023  12.484
 1038    HA   SER  13           HA       SER  13  -6.378  -0.929   9.891
 1039    HB2  SER  13           HB2      SER  13  -8.808  -0.466   9.470
 1040    HB3  SER  13           HB3      SER  13  -8.552   1.217   9.952
 1041    HG   SER  13           HG       SER  13  -7.052   1.380   8.169
 1042    H    ASP  14           H        ASP  14  -6.744   1.805  12.219
 1043    HA   ASP  14           HA       ASP  14  -5.255   3.731  10.804
 1044    HB2  ASP  14           HB2      ASP  14  -6.651   4.269  12.698
 1045    HB3  ASP  14           HB3      ASP  14  -5.619   3.319  13.776
 1046    H    ASP  15           H        ASP  15  -3.193   4.015  10.341
 1047    HA   ASP  15           HA       ASP  15  -1.419   2.164  10.047
 1048    HB2  ASP  15           HB2      ASP  15  -0.934   5.104  10.396
 1049    HB3  ASP  15           HB3      ASP  15   0.378   4.015   9.991
 1050    H    ASP  16           H        ASP  16   0.526   1.351  10.542
 1051    HA   ASP  16           HA       ASP  16   2.106   0.425  11.705
 1052    HB2  ASP  16           HB2      ASP  16   2.178   3.036  13.170
 1053    HB3  ASP  16           HB3      ASP  16   3.293   1.716  13.497
 1054    H    SER  17           H        SER  17   0.927   1.705  14.779
 1055    HA   SER  17           HA       SER  17   1.575  -0.760  16.036
 1056    HB2  SER  17           HB2      SER  17   0.084   1.666  17.092
 1057    HB3  SER  17           HB3      SER  17   0.733   0.354  18.093
 1058    HG   SER  17           HG       SER  17   2.204   2.104  17.960
 1059    H    TYR  18           H        TYR  18  -0.647  -1.139  14.086
 1060    HA   TYR  18           HA       TYR  18  -3.060  -1.486  15.588
 1061    HB2  TYR  18           HB2      TYR  18  -3.963  -2.403  13.401
 1062    HB3  TYR  18           HB3      TYR  18  -3.447  -0.749  13.483
 1063    HD1  TYR  18           HD1      TYR  18  -1.759  -4.049  12.732
 1064    HD2  TYR  18           HD2      TYR  18  -2.533   0.009  11.555
 1065    HE1  TYR  18           HE1      TYR  18  -0.750  -4.508  10.520
 1066    HE2  TYR  18           HE2      TYR  18  -1.450  -0.420   9.338
 1067    HH   TYR  18           HH       TYR  18  -0.246  -3.694   8.454
 1068    H    GLU  19           H        GLU  19  -4.540  -3.252  15.486
 1069    HA   GLU  19           HA       GLU  19  -3.257  -5.965  15.599
 1070    HB2  GLU  19           HB2      GLU  19  -5.565  -4.871  17.239
 1071    HB3  GLU  19           HB3      GLU  19  -5.148  -6.581  17.166
 1072    HG2  GLU  19           HG2      GLU  19  -3.305  -4.357  18.156
 1073    HG3  GLU  19           HG3      GLU  19  -4.251  -5.444  19.172
 1074    H    VAL  20           H        VAL  20  -5.740  -3.984  14.195
 1075    HA   VAL  20           HA       VAL  20  -6.999  -4.181  12.434
 1076    HB   VAL  20           HB       VAL  20  -5.657  -6.539  11.290
 1077   HG11  VAL  20          HG11      VAL  20  -5.810  -5.267   9.245
 1078   HG12  VAL  20          HG12      VAL  20  -7.402  -5.177  10.035
 1079   HG13  VAL  20          HG13      VAL  20  -6.283  -3.807  10.114
 1080   HG21  VAL  20          HG21      VAL  20  -4.391  -3.802  11.640
 1081   HG22  VAL  20          HG22      VAL  20  -3.735  -5.360  12.224
 1082   HG23  VAL  20          HG23      VAL  20  -3.822  -5.014  10.496
 1083    H    LEU  21           H        LEU  21  -6.921  -7.386  13.916
 1084    HA   LEU  21           HA       LEU  21  -9.454  -8.230  12.672
 1085    HB2  LEU  21           HB2      LEU  21  -7.334  -9.592  13.362
 1086    HB3  LEU  21           HB3      LEU  21  -7.972  -9.515  14.991
 1087    HG   LEU  21           HG       LEU  21  -9.999 -10.760  14.211
 1088   HD11  LEU  21          HD11      LEU  21 -10.071 -10.204  11.820
 1089   HD12  LEU  21          HD12      LEU  21  -8.432 -10.875  11.577
 1090   HD13  LEU  21          HD13      LEU  21  -9.793 -11.939  11.972
 1091   HD21  LEU  21          HD21      LEU  21  -7.377 -12.108  13.456
 1092   HD22  LEU  21          HD22      LEU  21  -7.944 -11.898  15.119
 1093   HD23  LEU  21          HD23      LEU  21  -8.875 -12.909  13.994
 1094    H    ASP  22           H        ASP  22  -8.749  -6.176  15.228
 1095    HA   ASP  22           HA       ASP  22  -9.624  -5.645  17.204
 1096    HB2  ASP  22           HB2      ASP  22 -11.133  -4.471  15.809
 1097    HB3  ASP  22           HB3      ASP  22 -12.148  -5.897  15.586
 1098    H    LEU  23           H        LEU  23  -8.644  -7.971  17.372
 1099    HA   LEU  23           HA       LEU  23 -10.048  -9.445  19.451
 1100    HB2  LEU  23           HB2      LEU  23 -11.034 -10.398  17.417
 1101    HB3  LEU  23           HB3      LEU  23  -9.459 -10.700  16.718
 1102    HG   LEU  23           HG       LEU  23 -10.139 -11.999  19.366
 1103   HD11  LEU  23          HD11      LEU  23 -11.100 -12.996  16.653
 1104   HD12  LEU  23          HD12      LEU  23 -11.194 -13.888  18.191
 1105   HD13  LEU  23          HD13      LEU  23 -12.126 -12.397  17.985
 1106   HD21  LEU  23          HD21      LEU  23  -7.851 -12.365  18.278
 1107   HD22  LEU  23          HD22      LEU  23  -8.779 -13.842  18.547
 1108   HD23  LEU  23          HD23      LEU  23  -8.689 -13.140  16.925
 1109    H    THR  24           H        THR  24  -8.537 -10.554  20.755
 1110    HA   THR  24           HA       THR  24  -5.703 -10.475  19.891
 1111    HB   THR  24           HB       THR  24  -4.833  -9.598  21.763
 1112    HG1  THR  24           HG1      THR  24  -5.942  -9.339  23.699
 1113   HG21  THR  24          HG21      THR  24  -6.079  -7.842  20.486
 1114   HG22  THR  24          HG22      THR  24  -7.460  -8.055  21.586
 1115   HG23  THR  24          HG23      THR  24  -5.909  -7.461  22.203
 1116    H    GLU  25           H        GLU  25  -4.206 -11.876  20.660
 1117    HA   GLU  25           HA       GLU  25  -5.136 -14.576  20.956
 1118    HB2  GLU  25           HB2      GLU  25  -2.837 -15.169  20.878
 1119    HB3  GLU  25           HB3      GLU  25  -3.126 -13.938  19.667
 1120    HG2  GLU  25           HG2      GLU  25  -1.842 -13.436  22.402
 1121    HG3  GLU  25           HG3      GLU  25  -0.959 -13.787  20.931
 1122    H    TYR  26           H        TYR  26  -4.518 -16.091  22.600
 1123    HA   TYR  26           HA       TYR  26  -3.917 -15.092  25.269
 1124    HB2  TYR  26           HB2      TYR  26  -6.177 -14.822  25.488
 1125    HB3  TYR  26           HB3      TYR  26  -6.551 -16.284  24.597
 1126    HD1  TYR  26           HD1      TYR  26  -6.684 -18.452  25.648
 1127    HD2  TYR  26           HD2      TYR  26  -5.370 -14.994  27.866
 1128    HE1  TYR  26           HE1      TYR  26  -6.950 -19.720  27.781
 1129    HE2  TYR  26           HE2      TYR  26  -5.633 -16.260  29.999
 1130    HH   TYR  26           HH       TYR  26  -6.216 -18.256  30.976
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -7.125   3.361   8.213
    2    H2   MET   1           H2       MET   1  -6.623   4.422   7.085
    3    H3   MET   1           H3       MET   1  -8.121   4.562   7.703
    4    HA   MET   1           HA       MET   1  -8.161   3.690   5.465
    5    HB2  MET   1           HB2      MET   1  -7.341   1.550   4.804
    6    HB3  MET   1           HB3      MET   1  -6.043   2.575   5.377
    7    HG2  MET   1           HG2      MET   1  -6.049   1.298   7.573
    8    HG3  MET   1           HG3      MET   1  -7.269   0.230   6.865
    9    HE1  MET   1           HE1      MET   1  -2.792   0.360   5.735
   10    HE2  MET   1           HE2      MET   1  -3.811   1.777   5.425
   11    HE3  MET   1           HE3      MET   1  -3.537   1.219   7.094
   12    HA   PRO   2           HA       PRO   2 -11.070   0.253   6.959
   13    HB2  PRO   2           HB2      PRO   2 -11.905   0.161   9.582
   14    HB3  PRO   2           HB3      PRO   2 -10.555  -0.810   8.921
   15    HG2  PRO   2           HG2      PRO   2 -10.434   1.858  10.366
   16    HG3  PRO   2           HG3      PRO   2  -9.502   0.363  10.704
   17    HD2  PRO   2           HD2      PRO   2  -8.425   2.334   9.266
   18    HD3  PRO   2           HD3      PRO   2  -8.193   0.631   8.755
   19    H    SER   3           H        SER   3 -12.780   1.026   6.018
   20    HA   SER   3           HA       SER   3 -14.670   2.926   7.205
   21    HB2  SER   3           HB2      SER   3 -14.423   4.572   5.390
   22    HB3  SER   3           HB3      SER   3 -12.929   4.446   6.323
   23    HG   SER   3           HG       SER   3 -11.996   3.258   4.687
   24    H    GLU   4           H        GLU   4 -16.432   3.406   5.428
   25    HA   GLU   4           HA       GLU   4 -17.251   0.883   4.187
   26    HB2  GLU   4           HB2      GLU   4 -18.566   3.622   4.216
   27    HB3  GLU   4           HB3      GLU   4 -19.279   2.129   3.568
   28    HG2  GLU   4           HG2      GLU   4 -19.055   1.061   5.810
   29    HG3  GLU   4           HG3      GLU   4 -18.492   2.598   6.466
   30    H    LYS   5           H        LYS   5 -14.827   1.750   3.113
   31    HA   LYS   5           HA       LYS   5 -15.431   1.951   0.240
   32    HB2  LYS   5           HB2      LYS   5 -15.306   4.325   1.124
   33    HB3  LYS   5           HB3      LYS   5 -13.677   3.999   1.673
   34    HG2  LYS   5           HG2      LYS   5 -13.591   5.255  -0.386
   35    HG3  LYS   5           HG3      LYS   5 -12.927   3.661  -0.658
   36    HD2  LYS   5           HD2      LYS   5 -14.305   4.378  -2.557
   37    HD3  LYS   5           HD3      LYS   5 -14.968   2.937  -1.811
   38    HE2  LYS   5           HE2      LYS   5 -16.780   4.380  -2.396
   39    HE3  LYS   5           HE3      LYS   5 -16.689   4.316  -0.636
   40    HZ1  LYS   5           HZ1      LYS   5 -15.631   6.543  -2.328
   41    HZ2  LYS   5           HZ2      LYS   5 -17.020   6.592  -1.477
   42    HZ3  LYS   5           HZ3      LYS   5 -15.600   6.520  -0.684
   43    H    THR   6           H        THR   6 -13.817   1.083  -1.071
   44    HA   THR   6           HA       THR   6 -12.291  -0.924  -0.020
   45    HB   THR   6           HB       THR   6 -11.528   0.088  -2.713
   46    HG1  THR   6           HG1      THR   6 -13.511  -0.561  -3.551
   47   HG21  THR   6          HG21      THR   6 -12.495  -2.602  -1.662
   48   HG22  THR   6          HG22      THR   6 -11.937  -2.282  -3.320
   49   HG23  THR   6          HG23      THR   6 -10.796  -2.153  -1.966
   50    H    PHE   7           H        PHE   7 -10.164  -1.466   0.356
   51    HA   PHE   7           HA       PHE   7  -8.459   0.372   1.510
   52    HB2  PHE   7           HB2      PHE   7  -8.229  -1.841   2.087
   53    HB3  PHE   7           HB3      PHE   7  -8.077  -2.382   0.431
   54    HD1  PHE   7           HD1      PHE   7  -6.212  -0.225   2.912
   55    HD2  PHE   7           HD2      PHE   7  -5.988  -2.975  -0.405
   56    HE1  PHE   7           HE1      PHE   7  -3.782  -0.475   3.281
   57    HE2  PHE   7           HE2      PHE   7  -3.533  -3.148  -0.089
   58    HZ   PHE   7           HZ       PHE   7  -2.432  -1.910   1.776
   59    H    LYS   8           H        LYS   8  -8.386  -0.406  -1.921
   60    HA   LYS   8           HA       LYS   8  -5.979   0.813  -2.714
   61    HB2  LYS   8           HB2      LYS   8  -7.422  -0.601  -4.114
   62    HB3  LYS   8           HB3      LYS   8  -8.690   0.622  -4.100
   63    HG2  LYS   8           HG2      LYS   8  -7.550   0.568  -6.229
   64    HG3  LYS   8           HG3      LYS   8  -7.322   2.132  -5.448
   65    HD2  LYS   8           HD2      LYS   8  -5.010   1.487  -4.800
   66    HD3  LYS   8           HD3      LYS   8  -5.293  -0.148  -5.404
   67    HE2  LYS   8           HE2      LYS   8  -3.968   1.056  -7.020
   68    HE3  LYS   8           HE3      LYS   8  -5.551   0.702  -7.706
   69    HZ1  LYS   8           HZ1      LYS   8  -4.781   3.350  -6.555
   70    HZ2  LYS   8           HZ2      LYS   8  -4.817   3.001  -8.150
   71    HZ3  LYS   8           HZ3      LYS   8  -6.202   3.011  -7.299
   72    H    GLN   9           H        GLN   9  -8.811   2.453  -1.511
   73    HA   GLN   9           HA       GLN   9  -8.382   5.076  -2.544
   74    HB2  GLN   9           HB2      GLN   9 -10.412   4.228  -1.417
   75    HB3  GLN   9           HB3      GLN   9  -9.549   4.152   0.113
   76    HG2  GLN   9           HG2      GLN   9  -9.467   6.847  -1.167
   77    HG3  GLN   9           HG3      GLN   9 -11.090   6.262  -0.869
   78   HE21  GLN   9          HE21      GLN   9 -10.646   6.243   2.763
   79   HE22  GLN   9          HE22      GLN   9 -11.403   5.269   1.512
   80    H    ARG  10           H        ARG  10  -6.625   3.289  -0.041
   81    HA   ARG  10           HA       ARG  10  -5.102   5.771   0.661
   82    HB2  ARG  10           HB2      ARG  10  -5.872   3.447   2.429
   83    HB3  ARG  10           HB3      ARG  10  -4.644   4.631   2.891
   84    HG2  ARG  10           HG2      ARG  10  -7.369   5.597   2.000
   85    HG3  ARG  10           HG3      ARG  10  -7.186   4.918   3.600
   86    HD2  ARG  10           HD2      ARG  10  -7.060   7.404   3.550
   87    HD3  ARG  10           HD3      ARG  10  -5.689   6.608   4.305
   88    HE   ARG  10           HE       ARG  10  -4.258   7.345   2.667
   89   HH11  ARG  10          HH11      ARG  10  -7.492   8.217   1.538
   90   HH12  ARG  10          HH12      ARG  10  -6.872   9.558   0.621
   91   HH21  ARG  10          HH21      ARG  10  -3.573   8.950   1.325
   92   HH22  ARG  10          HH22      ARG  10  -4.720   9.910   0.438
   93    H    ARG  11           H        ARG  11  -4.277   2.258   0.995
   94    HA   ARG  11           HA       ARG  11  -1.547   3.094   0.090
   95    HB2  ARG  11           HB2      ARG  11  -2.430   0.641   1.616
   96    HB3  ARG  11           HB3      ARG  11  -0.831   0.800   0.895
   97    HG2  ARG  11           HG2      ARG  11  -0.573   2.995   2.134
   98    HG3  ARG  11           HG3      ARG  11  -2.060   2.618   3.017
   99    HD2  ARG  11           HD2      ARG  11  -1.027   0.702   4.074
  100    HD3  ARG  11           HD3      ARG  11   0.390   0.797   3.013
  101    HE   ARG  11           HE       ARG  11   0.665   3.172   4.041
  102   HH11  ARG  11          HH11      ARG  11  -0.086   0.323   6.020
  103   HH12  ARG  11          HH12      ARG  11   0.326   1.213   7.485
  104   HH21  ARG  11          HH21      ARG  11   1.178   4.117   5.957
  105   HH22  ARG  11          HH22      ARG  11   0.984   3.226   7.447
  106    H    THR  12           H        THR  12  -0.515   2.451  -1.597
  107    HA   THR  12           HA       THR  12  -1.812   1.007  -3.836
  108    HB   THR  12           HB       THR  12   0.582   1.306  -4.742
  109    HG1  THR  12           HG1      THR  12   1.887   2.774  -3.671
  110   HG21  THR  12          HG21      THR  12  -0.905   3.851  -3.929
  111   HG22  THR  12          HG22      THR  12   0.321   3.735  -5.206
  112   HG23  THR  12          HG23      THR  12  -1.231   2.890  -5.386
  113    H    PHE  13           H        PHE  13  -0.533  -0.871  -4.793
  114    HA   PHE  13           HA       PHE  13   0.195  -2.848  -2.913
  115    HB2  PHE  13           HB2      PHE  13  -0.559  -3.465  -5.054
  116    HB3  PHE  13           HB3      PHE  13   0.743  -2.603  -5.849
  117    HD1  PHE  13           HD1      PHE  13   3.117  -3.485  -5.772
  118    HD2  PHE  13           HD2      PHE  13  -0.258  -5.716  -4.276
  119    HE1  PHE  13           HE1      PHE  13   4.449  -5.581  -5.872
  120    HE2  PHE  13           HE2      PHE  13   1.066  -7.815  -4.420
  121    HZ   PHE  13           HZ       PHE  13   3.421  -7.745  -5.217
  122    H    GLU  14           H        GLU  14   2.345  -0.443  -4.422
  123    HA   GLU  14           HA       GLU  14   4.792  -1.494  -3.357
  124    HB2  GLU  14           HB2      GLU  14   4.678   0.107  -5.191
  125    HB3  GLU  14           HB3      GLU  14   3.996   1.344  -4.119
  126    HG2  GLU  14           HG2      GLU  14   6.053   1.403  -2.798
  127    HG3  GLU  14           HG3      GLU  14   6.736   0.070  -3.739
  128    H    GLN  15           H        GLN  15   2.541   0.998  -1.978
  129    HA   GLN  15           HA       GLN  15   4.006   1.260   0.511
  130    HB2  GLN  15           HB2      GLN  15   1.119   1.802  -0.262
  131    HB3  GLN  15           HB3      GLN  15   1.771   2.133   1.350
  132    HG2  GLN  15           HG2      GLN  15   3.381   3.721   0.484
  133    HG3  GLN  15           HG3      GLN  15   2.953   3.334  -1.185
  134   HE21  GLN  15          HE21      GLN  15  -0.038   5.302  -1.174
  135   HE22  GLN  15          HE22      GLN  15   0.881   4.062  -2.035
  136    H    ARG  16           H        ARG  16   1.462  -0.948  -0.564
  137    HA   ARG  16           HA       ARG  16   0.972  -2.322   1.895
  138    HB2  ARG  16           HB2      ARG  16  -0.306  -2.285  -0.345
  139    HB3  ARG  16           HB3      ARG  16   0.833  -3.502  -0.906
  140    HG2  ARG  16           HG2      ARG  16  -1.122  -3.718   1.384
  141    HG3  ARG  16           HG3      ARG  16  -1.332  -4.342  -0.244
  142    HD2  ARG  16           HD2      ARG  16   0.646  -5.343   1.848
  143    HD3  ARG  16           HD3      ARG  16  -0.814  -6.143   1.277
  144    HE   ARG  16           HE       ARG  16   1.155  -5.551  -0.843
  145   HH11  ARG  16          HH11      ARG  16   1.689  -8.896  -1.495
  146   HH12  ARG  16          HH12      ARG  16   1.965  -7.257  -2.039
  147   HH21  ARG  16          HH21      ARG  16  -0.044  -8.043   1.317
  148   HH22  ARG  16          HH22      ARG  16   0.544  -9.326   0.276
  149    H    VAL  17           H        VAL  17   3.464  -2.913  -0.631
  150    HA   VAL  17           HA       VAL  17   4.594  -5.253   0.637
  151    HB   VAL  17           HB       VAL  17   5.680  -3.259  -1.381
  152   HG11  VAL  17          HG11      VAL  17   7.670  -4.040  -0.188
  153   HG12  VAL  17          HG12      VAL  17   7.099  -5.725  -0.285
  154   HG13  VAL  17          HG13      VAL  17   7.570  -4.845  -1.751
  155   HG21  VAL  17          HG21      VAL  17   4.953  -6.222  -1.523
  156   HG22  VAL  17          HG22      VAL  17   3.941  -4.898  -2.117
  157   HG23  VAL  17          HG23      VAL  17   5.498  -5.213  -2.882
  158    H    GLU  18           H        GLU  18   5.388  -1.725   0.992
  159    HA   GLU  18           HA       GLU  18   7.451  -2.142   2.961
  160    HB2  GLU  18           HB2      GLU  18   5.613   0.199   2.362
  161    HB3  GLU  18           HB3      GLU  18   6.759   0.222   3.711
  162    HG2  GLU  18           HG2      GLU  18   8.628  -0.202   2.229
  163    HG3  GLU  18           HG3      GLU  18   7.553  -0.297   0.825
  164    H    ASP  19           H        ASP  19   3.978  -1.442   3.435
  165    HA   ASP  19           HA       ASP  19   3.794  -1.731   6.254
  166    HB2  ASP  19           HB2      ASP  19   2.164  -0.659   4.894
  167    HB3  ASP  19           HB3      ASP  19   1.875  -2.121   3.970
  168    H    VAL  20           H        VAL  20   3.187  -4.340   3.860
  169    HA   VAL  20           HA       VAL  20   2.945  -6.333   5.870
  170    HB   VAL  20           HB       VAL  20   2.235  -6.328   3.342
  171   HG11  VAL  20          HG11      VAL  20   4.609  -6.409   2.465
  172   HG12  VAL  20          HG12      VAL  20   4.739  -8.050   3.125
  173   HG13  VAL  20          HG13      VAL  20   3.538  -7.680   1.868
  174   HG21  VAL  20          HG21      VAL  20   1.523  -7.930   4.941
  175   HG22  VAL  20          HG22      VAL  20   1.973  -8.761   3.449
  176   HG23  VAL  20          HG23      VAL  20   3.081  -8.805   4.853
  177    H    ARG  21           H        ARG  21   5.932  -5.252   4.198
  178    HA   ARG  21           HA       ARG  21   7.554  -7.277   5.503
  179    HB2  ARG  21           HB2      ARG  21   8.430  -6.170   3.516
  180    HB3  ARG  21           HB3      ARG  21   8.397  -4.589   4.327
  181    HG2  ARG  21           HG2      ARG  21  10.040  -5.345   5.985
  182    HG3  ARG  21           HG3      ARG  21   9.944  -7.005   5.387
  183    HD2  ARG  21           HD2      ARG  21  11.030  -6.323   3.293
  184    HD3  ARG  21           HD3      ARG  21  11.100  -4.642   3.877
  185    HE   ARG  21           HE       ARG  21  12.254  -6.306   5.883
  186   HH11  ARG  21          HH11      ARG  21  14.887  -5.548   3.008
  187   HH12  ARG  21          HH12      ARG  21  13.198  -5.326   2.633
  188   HH21  ARG  21          HH21      ARG  21  14.228  -6.555   6.270
  189   HH22  ARG  21          HH22      ARG  21  15.498  -6.247   5.078
  190    H    LEU  22           H        LEU  22   6.880  -3.832   6.394
  191    HA   LEU  22           HA       LEU  22   8.437  -3.834   8.775
  192    HB2  LEU  22           HB2      LEU  22   5.915  -2.344   7.942
  193    HB3  LEU  22           HB3      LEU  22   6.668  -2.052   9.509
  194    HG   LEU  22           HG       LEU  22   8.333  -1.917   6.999
  195   HD11  LEU  22          HD11      LEU  22   6.746   0.411   8.164
  196   HD12  LEU  22          HD12      LEU  22   7.917   0.495   6.826
  197   HD13  LEU  22          HD13      LEU  22   6.408  -0.397   6.617
  198   HD21  LEU  22          HD21      LEU  22   9.509  -1.879   9.172
  199   HD22  LEU  22          HD22      LEU  22   9.686  -0.345   8.319
  200   HD23  LEU  22          HD23      LEU  22   8.536  -0.475   9.673
  201    H    ILE  23           H        ILE  23   5.007  -4.759   8.333
  202    HA   ILE  23           HA       ILE  23   4.512  -5.644  10.982
  203    HB   ILE  23           HB       ILE  23   3.392  -6.370   8.259
  204   HG12  ILE  23          HG12      ILE  23   2.700  -4.193   8.932
  205   HG13  ILE  23          HG13      ILE  23   1.339  -5.247   9.189
  206   HG21  ILE  23          HG21      ILE  23   1.544  -7.562   9.360
  207   HG22  ILE  23          HG22      ILE  23   3.077  -8.404   9.472
  208   HG23  ILE  23          HG23      ILE  23   2.456  -7.535  10.900
  209   HD11  ILE  23          HD11      ILE  23   2.072  -5.272  11.696
  210   HD12  ILE  23          HD12      ILE  23   3.133  -3.914  11.231
  211   HD13  ILE  23          HD13      ILE  23   1.391  -3.770  11.028
  212    H    ARG  24           H        ARG  24   5.877  -7.622   8.265
  213    HA   ARG  24           HA       ARG  24   6.258  -9.941   9.931
  214    HB2  ARG  24           HB2      ARG  24   6.169 -10.144   7.534
  215    HB3  ARG  24           HB3      ARG  24   7.505  -9.027   7.311
  216    HG2  ARG  24           HG2      ARG  24   8.201 -11.327   6.887
  217    HG3  ARG  24           HG3      ARG  24   9.107 -10.611   8.210
  218    HD2  ARG  24           HD2      ARG  24   7.502 -11.851   9.814
  219    HD3  ARG  24           HD3      ARG  24   6.831 -12.622   8.395
  220    HE   ARG  24           HE       ARG  24   8.708 -13.959   8.203
  221   HH11  ARG  24          HH11      ARG  24   9.512 -11.462  10.585
  222   HH12  ARG  24          HH12      ARG  24  10.977 -12.298  11.042
  223   HH21  ARG  24          HH21      ARG  24  10.573 -14.929   8.874
  224   HH22  ARG  24          HH22      ARG  24  11.547 -14.212  10.116
  225    H    GLU  25           H        GLU  25   8.353  -7.124   9.421
  226    HA   GLU  25           HA       GLU  25  10.650  -8.210  10.807
  227    HB2  GLU  25           HB2      GLU  25   9.775  -5.343  10.344
  228    HB3  GLU  25           HB3      GLU  25  11.329  -5.797  11.010
  229    HG2  GLU  25           HG2      GLU  25  10.401  -6.717   8.260
  230    HG3  GLU  25           HG3      GLU  25  11.191  -5.174   8.530
  231    H    GLN  26           H        GLN  26   7.939  -6.111  11.984
  232    HA   GLN  26           HA       GLN  26   8.977  -6.286  14.722
  233    HB2  GLN  26           HB2      GLN  26   7.143  -4.882  15.368
  234    HB3  GLN  26           HB3      GLN  26   8.066  -4.191  14.044
  235    HG2  GLN  26           HG2      GLN  26   6.290  -4.247  12.571
  236    HG3  GLN  26           HG3      GLN  26   5.578  -5.700  13.290
  237   HE21  GLN  26          HE21      GLN  26   3.141  -3.282  14.337
  238   HE22  GLN  26          HE22      GLN  26   3.423  -4.739  13.401
  239    H    HIS  27           H        HIS  27   6.529  -8.111  12.975
  240    HA   HIS  27           HA       HIS  27   5.725  -9.572  15.478
  241    HB2  HIS  27           HB2      HIS  27   4.036  -7.877  13.621
  242    HB3  HIS  27           HB3      HIS  27   3.333  -9.329  14.298
  243    HD1  HIS  27           HD1      HIS  27   5.566  -7.443  16.748
  244    HD2  HIS  27           HD2      HIS  27   1.537  -7.747  15.508
  245    HE1  HIS  27           HE1      HIS  27   4.139  -6.318  18.584
  246    HE2  HIS  27           HE2      HIS  27   1.676  -6.581  17.855
  247    HA   PRO  28           HA       PRO  28   6.738 -12.468  11.995
  248    HB2  PRO  28           HB2      PRO  28   7.906 -14.014  14.306
  249    HB3  PRO  28           HB3      PRO  28   8.555 -13.781  12.654
  250    HG2  PRO  28           HG2      PRO  28   9.589 -12.380  14.724
  251    HG3  PRO  28           HG3      PRO  28   9.243 -11.541  13.173
  252    HD2  PRO  28           HD2      PRO  28   7.522 -11.638  15.668
  253    HD3  PRO  28           HD3      PRO  28   8.027 -10.223  14.704
  254    H    THR  29           H        THR  29   5.122 -13.048  15.091
  255    HA   THR  29           HA       THR  29   4.182 -15.702  14.461
  256    HB   THR  29           HB       THR  29   3.193 -15.791  16.535
  257    HG1  THR  29           HG1      THR  29   2.728 -13.934  17.747
  258   HG21  THR  29          HG21      THR  29   5.452 -13.801  17.053
  259   HG22  THR  29          HG22      THR  29   4.843 -15.082  18.122
  260   HG23  THR  29          HG23      THR  29   5.717 -15.512  16.647
  261    H    LYS  30           H        LYS  30   3.003 -12.820  13.262
  262    HA   LYS  30           HA       LYS  30   0.233 -13.918  12.970
  263    HB2  LYS  30           HB2      LYS  30   1.155 -11.052  13.345
  264    HB3  LYS  30           HB3      LYS  30  -0.474 -11.495  12.808
  265    HG2  LYS  30           HG2      LYS  30  -1.064 -12.480  14.839
  266    HG3  LYS  30           HG3      LYS  30   0.610 -12.737  15.344
  267    HD2  LYS  30           HD2      LYS  30   0.916 -10.344  15.748
  268    HD3  LYS  30           HD3      LYS  30  -0.751 -10.008  15.200
  269    HE2  LYS  30           HE2      LYS  30  -1.689 -11.342  17.007
  270    HE3  LYS  30           HE3      LYS  30  -0.093 -11.941  17.476
  271    HZ1  LYS  30           HZ1      LYS  30   0.497  -9.707  18.208
  272    HZ2  LYS  30           HZ2      LYS  30  -0.954  -9.083  17.734
  273    HZ3  LYS  30           HZ3      LYS  30  -0.880 -10.191  18.945
  274    H    ILE  31           H        ILE  31  -0.888 -13.642  11.179
  275    HA   ILE  31           HA       ILE  31   0.623 -13.427   8.627
  276    HB   ILE  31           HB       ILE  31  -2.064 -14.667   9.322
  277   HG12  ILE  31          HG12      ILE  31  -0.306 -15.895  10.437
  278   HG13  ILE  31          HG13      ILE  31  -0.995 -16.832   9.121
  279   HG21  ILE  31          HG21      ILE  31  -0.481 -14.656   6.731
  280   HG22  ILE  31          HG22      ILE  31  -1.784 -15.804   7.073
  281   HG23  ILE  31          HG23      ILE  31  -2.128 -14.069   7.010
  282   HD11  ILE  31          HD11      ILE  31   1.413 -17.146   9.219
  283   HD12  ILE  31          HD12      ILE  31   0.985 -16.340   7.705
  284   HD13  ILE  31          HD13      ILE  31   1.697 -15.412   9.052
  285    HA   PRO  32           HA       PRO  32  -1.909  -9.626   8.199
  286    HB2  PRO  32           HB2      PRO  32  -0.414  -8.430   6.201
  287    HB3  PRO  32           HB3      PRO  32  -0.121  -8.268   7.949
  288    HG2  PRO  32           HG2      PRO  32   1.252 -10.097   5.997
  289    HG3  PRO  32           HG3      PRO  32   1.978  -9.149   7.320
  290    HD2  PRO  32           HD2      PRO  32   1.446 -11.824   7.507
  291    HD3  PRO  32           HD3      PRO  32   1.328 -10.728   8.918
  292    H    VAL  33           H        VAL  33  -3.610  -9.332   7.016
  293    HA   VAL  33           HA       VAL  33  -3.881 -10.537   4.324
  294    HB   VAL  33           HB       VAL  33  -6.100 -10.619   6.342
  295   HG11  VAL  33          HG11      VAL  33  -6.941 -12.436   4.893
  296   HG12  VAL  33          HG12      VAL  33  -6.775 -10.921   4.016
  297   HG13  VAL  33          HG13      VAL  33  -5.555 -12.197   3.801
  298   HG21  VAL  33          HG21      VAL  33  -4.432 -11.927   7.450
  299   HG22  VAL  33          HG22      VAL  33  -5.604 -13.033   6.739
  300   HG23  VAL  33          HG23      VAL  33  -4.025 -12.790   5.953
  301    H    ILE  34           H        ILE  34  -4.715  -9.249   2.813
  302    HA   ILE  34           HA       ILE  34  -6.175  -6.743   3.586
  303    HB   ILE  34           HB       ILE  34  -5.232  -7.735   0.876
  304   HG12  ILE  34          HG12      ILE  34  -3.258  -7.227   2.146
  305   HG13  ILE  34          HG13      ILE  34  -3.519  -5.969   0.958
  306   HG21  ILE  34          HG21      ILE  34  -5.680  -5.378   0.149
  307   HG22  ILE  34          HG22      ILE  34  -7.132  -6.266   0.580
  308   HG23  ILE  34          HG23      ILE  34  -6.461  -5.074   1.717
  309   HD11  ILE  34          HD11      ILE  34  -2.779  -4.980   3.054
  310   HD12  ILE  34          HD12      ILE  34  -4.456  -4.483   2.770
  311   HD13  ILE  34          HD13      ILE  34  -4.090  -5.762   3.948
  312    H    ILE  35           H        ILE  35  -8.399  -6.524   3.189
  313    HA   ILE  35           HA       ILE  35  -9.737  -8.771   1.811
  314    HB   ILE  35           HB       ILE  35 -10.095  -9.354   4.074
  315   HG12  ILE  35          HG12      ILE  35 -12.612  -7.966   3.006
  316   HG13  ILE  35          HG13      ILE  35 -12.057  -9.596   2.580
  317   HG21  ILE  35          HG21      ILE  35 -10.997  -6.488   4.513
  318   HG22  ILE  35          HG22      ILE  35 -11.130  -7.766   5.727
  319   HG23  ILE  35          HG23      ILE  35  -9.540  -7.268   5.182
  320   HD11  ILE  35          HD11      ILE  35 -12.345 -10.295   4.951
  321   HD12  ILE  35          HD12      ILE  35 -13.091  -8.707   5.289
  322   HD13  ILE  35          HD13      ILE  35 -13.844  -9.806   4.133
  323    H    GLU  36           H        GLU  36 -11.284  -8.315   0.390
  324    HA   GLU  36           HA       GLU  36 -12.387  -5.547   0.239
  325    HB2  GLU  36           HB2      GLU  36 -11.023  -6.974  -2.081
  326    HB3  GLU  36           HB3      GLU  36 -11.969  -5.482  -2.191
  327    HG2  GLU  36           HG2      GLU  36 -10.344  -4.400  -0.604
  328    HG3  GLU  36           HG3      GLU  36  -9.328  -5.849  -0.726
  329    H    ARG  37           H        ARG  37 -14.446  -5.395  -0.604
  330    HA   ARG  37           HA       ARG  37 -16.095  -7.744  -0.961
  331    HB2  ARG  37           HB2      ARG  37 -16.967  -5.551  -0.245
  332    HB3  ARG  37           HB3      ARG  37 -16.516  -4.836  -1.788
  333    HG2  ARG  37           HG2      ARG  37 -18.177  -6.159  -2.975
  334    HG3  ARG  37           HG3      ARG  37 -18.471  -7.161  -1.551
  335    HD2  ARG  37           HD2      ARG  37 -20.293  -5.624  -1.879
  336    HD3  ARG  37           HD3      ARG  37 -19.453  -5.245  -0.361
  337    HE   ARG  37           HE       ARG  37 -18.273  -3.576  -2.276
  338   HH11  ARG  37          HH11      ARG  37 -21.579  -3.957  -1.141
  339   HH12  ARG  37          HH12      ARG  37 -21.959  -2.282  -1.450
  340   HH21  ARG  37          HH21      ARG  37 -18.824  -1.437  -2.590
  341   HH22  ARG  37          HH22      ARG  37 -20.431  -0.901  -2.219
  342    H    TYR  38           H        TYR  38 -16.707  -8.879  -2.747
  343    HA   TYR  38           HA       TYR  38 -15.054  -8.959  -4.956
  344    HB2  TYR  38           HB2      TYR  38 -16.016 -10.923  -4.400
  345    HB3  TYR  38           HB3      TYR  38 -17.641 -10.257  -4.373
  346    HD1  TYR  38           HD1      TYR  38 -19.089 -11.013  -6.032
  347    HD2  TYR  38           HD2      TYR  38 -14.856 -10.764  -6.879
  348    HE1  TYR  38           HE1      TYR  38 -19.475 -11.923  -8.298
  349    HE2  TYR  38           HE2      TYR  38 -15.262 -11.677  -9.151
  350    HH   TYR  38           HH       TYR  38 -16.819 -12.520 -10.634
  351    H    LYS  39           H        LYS  39 -14.714  -8.173  -6.830
  352    HA   LYS  39           HA       LYS  39 -15.932  -5.658  -7.449
  353    HB2  LYS  39           HB2      LYS  39 -13.974  -7.338  -9.078
  354    HB3  LYS  39           HB3      LYS  39 -14.335  -5.624  -9.336
  355    HG2  LYS  39           HG2      LYS  39 -13.513  -5.105  -7.047
  356    HG3  LYS  39           HG3      LYS  39 -13.114  -6.811  -6.804
  357    HD2  LYS  39           HD2      LYS  39 -11.608  -6.650  -8.861
  358    HD3  LYS  39           HD3      LYS  39 -11.806  -4.894  -8.767
  359    HE2  LYS  39           HE2      LYS  39 -10.740  -6.716  -6.549
  360    HE3  LYS  39           HE3      LYS  39  -9.724  -5.772  -7.635
  361    HZ1  LYS  39           HZ1      LYS  39 -10.526  -3.751  -6.667
  362    HZ2  LYS  39           HZ2      LYS  39 -11.716  -4.505  -5.822
  363    HZ3  LYS  39           HZ3      LYS  39 -10.173  -4.735  -5.394
  364    H    GLY  40           H        GLY  40 -16.467  -8.864  -8.802
  365    HA2  GLY  40           HA2      GLY  40 -17.863  -7.998 -11.187
  366    HA3  GLY  40           HA3      GLY  40 -17.796  -9.626 -10.529
  367    H    GLU  41           H        GLU  41 -18.940  -8.659  -7.874
  368    HA   GLU  41           HA       GLU  41 -21.622  -7.685  -8.532
  369    HB2  GLU  41           HB2      GLU  41 -21.853 -10.080  -9.016
  370    HB3  GLU  41           HB3      GLU  41 -21.181 -10.477  -7.442
  371    HG2  GLU  41           HG2      GLU  41 -23.511 -10.826  -7.310
  372    HG3  GLU  41           HG3      GLU  41 -23.139  -9.426  -6.334
  373    H    LYS  42           H        LYS  42 -21.317  -5.961  -7.243
  374    HA   LYS  42           HA       LYS  42 -20.329  -6.145  -4.501
  375    HB2  LYS  42           HB2      LYS  42 -21.350  -3.840  -6.200
  376    HB3  LYS  42           HB3      LYS  42 -20.729  -3.643  -4.558
  377    HG2  LYS  42           HG2      LYS  42 -18.539  -4.508  -5.193
  378    HG3  LYS  42           HG3      LYS  42 -19.100  -4.830  -6.847
  379    HD2  LYS  42           HD2      LYS  42 -19.522  -2.447  -7.224
  380    HD3  LYS  42           HD3      LYS  42 -19.041  -2.065  -5.558
  381    HE2  LYS  42           HE2      LYS  42 -16.746  -2.845  -5.995
  382    HE3  LYS  42           HE3      LYS  42 -17.206  -3.391  -7.612
  383    HZ1  LYS  42           HZ1      LYS  42 -17.251  -0.545  -6.712
  384    HZ2  LYS  42           HZ2      LYS  42 -16.127  -1.207  -7.695
  385    HZ3  LYS  42           HZ3      LYS  42 -17.667  -1.062  -8.207
  386    H    GLN  43           H        GLN  43 -22.651  -7.706  -4.771
  387    HA   GLN  43           HA       GLN  43 -25.056  -6.280  -4.072
  388    HB2  GLN  43           HB2      GLN  43 -24.897  -8.408  -5.336
  389    HB3  GLN  43           HB3      GLN  43 -24.447  -9.256  -3.849
  390    HG2  GLN  43           HG2      GLN  43 -26.668  -8.511  -2.869
  391    HG3  GLN  43           HG3      GLN  43 -27.068  -7.822  -4.449
  392   HE21  GLN  43          HE21      GLN  43 -27.220 -11.272  -5.897
  393   HE22  GLN  43          HE22      GLN  43 -26.396  -9.773  -6.321
  394    H    LEU  44           H        LEU  44 -22.716  -8.094  -2.061
  395    HA   LEU  44           HA       LEU  44 -24.228  -7.872   0.407
  396    HB2  LEU  44           HB2      LEU  44 -21.294  -8.396  -0.227
  397    HB3  LEU  44           HB3      LEU  44 -21.897  -8.362   1.422
  398    HG   LEU  44           HG       LEU  44 -22.906 -10.299  -0.707
  399   HD11  LEU  44          HD11      LEU  44 -20.943 -10.661   1.586
  400   HD12  LEU  44          HD12      LEU  44 -21.576 -11.970   0.561
  401   HD13  LEU  44          HD13      LEU  44 -20.549 -10.708  -0.150
  402   HD21  LEU  44          HD21      LEU  44 -23.317 -10.194   2.324
  403   HD22  LEU  44          HD22      LEU  44 -24.572  -9.941   1.088
  404   HD23  LEU  44          HD23      LEU  44 -23.814 -11.526   1.267
  405    HA   PRO  45           HA       PRO  45 -23.238  -3.676   1.565
  406    HB2  PRO  45           HB2      PRO  45 -23.145  -3.780   4.299
  407    HB3  PRO  45           HB3      PRO  45 -24.665  -3.950   3.372
  408    HG2  PRO  45           HG2      PRO  45 -22.904  -6.176   4.455
  409    HG3  PRO  45           HG3      PRO  45 -24.677  -5.970   4.660
  410    HD2  PRO  45           HD2      PRO  45 -23.647  -7.573   2.732
  411    HD3  PRO  45           HD3      PRO  45 -25.092  -6.567   2.406
  412    H    VAL  46           H        VAL  46 -21.496  -2.376   2.341
  413    HA   VAL  46           HA       VAL  46 -18.958  -3.810   2.960
  414    HB   VAL  46           HB       VAL  46 -18.891  -2.665   0.795
  415   HG11  VAL  46          HG11      VAL  46 -20.251  -0.649   1.308
  416   HG12  VAL  46          HG12      VAL  46 -18.976  -0.075   2.403
  417   HG13  VAL  46          HG13      VAL  46 -18.652  -0.237   0.670
  418   HG21  VAL  46          HG21      VAL  46 -16.962  -1.548   2.872
  419   HG22  VAL  46          HG22      VAL  46 -16.844  -3.144   2.082
  420   HG23  VAL  46          HG23      VAL  46 -16.692  -1.669   1.124
  421    H    LEU  47           H        LEU  47 -17.806  -3.296   4.704
  422    HA   LEU  47           HA       LEU  47 -18.836  -1.244   6.599
  423    HB2  LEU  47           HB2      LEU  47 -18.301  -4.173   7.279
  424    HB3  LEU  47           HB3      LEU  47 -18.612  -2.889   8.429
  425    HG   LEU  47           HG       LEU  47 -20.869  -2.588   6.984
  426   HD11  LEU  47          HD11      LEU  47 -21.783  -4.818   6.405
  427   HD12  LEU  47          HD12      LEU  47 -20.400  -4.439   5.376
  428   HD13  LEU  47          HD13      LEU  47 -20.205  -5.560   6.727
  429   HD21  LEU  47          HD21      LEU  47 -20.401  -4.712   9.116
  430   HD22  LEU  47          HD22      LEU  47 -20.779  -2.996   9.388
  431   HD23  LEU  47          HD23      LEU  47 -21.984  -4.055   8.641
  432    H    ASP  48           H        ASP  48 -17.258  -1.073   8.499
  433    HA   ASP  48           HA       ASP  48 -14.730  -0.350   7.375
  434    HB2  ASP  48           HB2      ASP  48 -14.246   0.636   9.623
  435    HB3  ASP  48           HB3      ASP  48 -15.638   1.227   8.739
  436    H    LYS  49           H        LYS  49 -14.559  -2.908   6.960
  437    HA   LYS  49           HA       LYS  49 -12.113  -3.604   8.524
  438    HB2  LYS  49           HB2      LYS  49 -14.438  -5.524   8.049
  439    HB3  LYS  49           HB3      LYS  49 -12.778  -6.058   8.317
  440    HG2  LYS  49           HG2      LYS  49 -13.412  -6.129  10.474
  441    HG3  LYS  49           HG3      LYS  49 -12.887  -4.459  10.428
  442    HD2  LYS  49           HD2      LYS  49 -15.474  -3.979   9.881
  443    HD3  LYS  49           HD3      LYS  49 -15.690  -5.619  10.485
  444    HE2  LYS  49           HE2      LYS  49 -15.960  -4.346  12.443
  445    HE3  LYS  49           HE3      LYS  49 -14.253  -4.825  12.536
  446    HZ1  LYS  49           HZ1      LYS  49 -15.364  -2.187  11.714
  447    HZ2  LYS  49           HZ2      LYS  49 -14.313  -2.488  12.959
  448    HZ3  LYS  49           HZ3      LYS  49 -13.824  -2.568  11.396
  449    H    THR  50           H        THR  50 -10.978  -2.690   6.871
  450    HA   THR  50           HA       THR  50 -11.019  -3.770   4.103
  451    HB   THR  50           HB       THR  50  -9.048  -2.022   4.051
  452    HG1  THR  50           HG1      THR  50  -8.821  -0.790   5.815
  453   HG21  THR  50          HG21      THR  50 -11.824  -1.051   4.869
  454   HG22  THR  50          HG22      THR  50 -10.571  -0.085   4.056
  455   HG23  THR  50          HG23      THR  50 -11.317  -1.452   3.211
  456    H    LYS  51           H        LYS  51  -9.268  -4.296   7.112
  457    HA   LYS  51           HA       LYS  51  -7.254  -6.069   5.832
  458    HB2  LYS  51           HB2      LYS  51  -6.355  -3.797   5.578
  459    HB3  LYS  51           HB3      LYS  51  -6.660  -3.443   7.278
  460    HG2  LYS  51           HG2      LYS  51  -4.951  -5.133   7.938
  461    HG3  LYS  51           HG3      LYS  51  -4.647  -5.474   6.221
  462    HD2  LYS  51           HD2      LYS  51  -4.001  -3.068   5.901
  463    HD3  LYS  51           HD3      LYS  51  -4.317  -2.781   7.630
  464    HE2  LYS  51           HE2      LYS  51  -2.608  -4.613   8.127
  465    HE3  LYS  51           HE3      LYS  51  -2.204  -4.616   6.398
  466    HZ1  LYS  51           HZ1      LYS  51  -1.930  -2.280   8.253
  467    HZ2  LYS  51           HZ2      LYS  51  -0.689  -3.132   7.542
  468    HZ3  LYS  51           HZ3      LYS  51  -1.611  -2.223   6.626
  469    H    PHE  52           H        PHE  52  -6.337  -7.545   7.254
  470    HA   PHE  52           HA       PHE  52  -6.472  -7.066  10.097
  471    HB2  PHE  52           HB2      PHE  52  -7.474  -9.349  10.654
  472    HB3  PHE  52           HB3      PHE  52  -8.507  -7.993  10.258
  473    HD1  PHE  52           HD1      PHE  52  -6.929 -11.005   8.676
  474    HD2  PHE  52           HD2      PHE  52 -10.225  -8.233   8.657
  475    HE1  PHE  52           HE1      PHE  52  -8.103 -12.415   7.011
  476    HE2  PHE  52           HE2      PHE  52 -11.410  -9.669   7.028
  477    HZ   PHE  52           HZ       PHE  52 -10.348 -11.752   6.174
  478    H    LEU  53           H        LEU  53  -5.085  -8.152  11.468
  479    HA   LEU  53           HA       LEU  53  -3.044  -9.914  10.137
  480    HB2  LEU  53           HB2      LEU  53  -2.831  -7.922  12.413
  481    HB3  LEU  53           HB3      LEU  53  -1.732  -9.275  12.301
  482    HG   LEU  53           HG       LEU  53  -0.769  -8.511  10.265
  483   HD11  LEU  53          HD11      LEU  53  -1.301  -6.315   9.235
  484   HD12  LEU  53          HD12      LEU  53  -2.638  -7.462   9.058
  485   HD13  LEU  53          HD13      LEU  53  -2.730  -6.178  10.291
  486   HD21  LEU  53          HD21      LEU  53  -1.103  -6.207  12.246
  487   HD22  LEU  53          HD22      LEU  53   0.107  -7.509  12.338
  488   HD23  LEU  53          HD23      LEU  53   0.169  -6.329  11.025
  489    H    VAL  54           H        VAL  54  -3.099 -11.971  10.779
  490    HA   VAL  54           HA       VAL  54  -4.895 -12.700  13.056
  491    HB   VAL  54           HB       VAL  54  -4.330 -14.412  10.643
  492   HG11  VAL  54          HG11      VAL  54  -6.383 -15.553  11.268
  493   HG12  VAL  54          HG12      VAL  54  -5.294 -15.519  12.663
  494   HG13  VAL  54          HG13      VAL  54  -6.674 -14.406  12.590
  495   HG21  VAL  54          HG21      VAL  54  -6.508 -13.691   9.721
  496   HG22  VAL  54          HG22      VAL  54  -6.604 -12.421  10.967
  497   HG23  VAL  54          HG23      VAL  54  -5.315 -12.395   9.733
  498    HA   PRO  55           HA       PRO  55  -1.218 -14.820  14.659
  499    HB2  PRO  55           HB2      PRO  55  -2.276 -16.045  16.873
  500    HB3  PRO  55           HB3      PRO  55  -1.863 -14.306  16.796
  501    HG2  PRO  55           HG2      PRO  55  -4.570 -15.605  16.429
  502    HG3  PRO  55           HG3      PRO  55  -4.152 -14.150  17.393
  503    HD2  PRO  55           HD2      PRO  55  -5.221 -14.018  14.873
  504    HD3  PRO  55           HD3      PRO  55  -4.060 -12.795  15.479
  505    H    ASP  56           H        ASP  56  -0.362 -16.844  14.408
  506    HA   ASP  56           HA       ASP  56  -1.436 -18.351  12.377
  507    HB2  ASP  56           HB2      ASP  56   0.363 -20.016  12.832
  508    HB3  ASP  56           HB3      ASP  56   0.843 -18.341  12.598
  509    H    HIS  57           H        HIS  57  -2.075 -19.011  15.729
  510    HA   HIS  57           HA       HIS  57  -2.978 -21.718  15.419
  511    HB2  HIS  57           HB2      HIS  57  -2.260 -20.361  17.524
  512    HB3  HIS  57           HB3      HIS  57  -3.925 -19.816  17.592
  513    HD1  HIS  57           HD1      HIS  57  -5.457 -22.551  17.111
  514    HD2  HIS  57           HD2      HIS  57  -2.054 -21.948  19.533
  515    HE1  HIS  57           HE1      HIS  57  -5.508 -24.399  18.919
  516    HE2  HIS  57           HE2      HIS  57  -3.415 -24.031  20.376
  517    H    VAL  58           H        VAL  58  -4.590 -18.792  14.457
  518    HA   VAL  58           HA       VAL  58  -7.355 -19.755  14.711
  519    HB   VAL  58           HB       VAL  58  -6.116 -17.591  12.981
  520   HG11  VAL  58          HG11      VAL  58  -8.223 -18.210  11.938
  521   HG12  VAL  58          HG12      VAL  58  -9.062 -18.175  13.514
  522   HG13  VAL  58          HG13      VAL  58  -8.439 -16.683  12.779
  523   HG21  VAL  58          HG21      VAL  58  -7.750 -17.365  15.544
  524   HG22  VAL  58          HG22      VAL  58  -5.986 -17.150  15.437
  525   HG23  VAL  58          HG23      VAL  58  -7.064 -16.021  14.611
  526    H    ASN  59           H        ASN  59  -8.507 -21.043  13.259
  527    HA   ASN  59           HA       ASN  59  -7.099 -21.902  10.772
  528    HB2  ASN  59           HB2      ASN  59  -8.471 -23.813  10.727
  529    HB3  ASN  59           HB3      ASN  59  -7.889 -23.656  12.367
  530   HD21  ASN  59          HD21      ASN  59 -11.214 -23.770  13.576
  531   HD22  ASN  59          HD22      ASN  59  -9.506 -23.980  13.917
  532    H    MET  60           H        MET  60  -8.354 -22.116   8.766
  533    HA   MET  60           HA       MET  60  -9.314 -19.611   7.962
  534    HB2  MET  60           HB2      MET  60  -8.364 -21.430   6.507
  535    HB3  MET  60           HB3      MET  60  -9.894 -22.289   6.634
  536    HG2  MET  60           HG2      MET  60  -9.880 -21.103   4.553
  537    HG3  MET  60           HG3      MET  60 -11.060 -20.336   5.606
  538    HE1  MET  60           HE1      MET  60 -10.603 -18.736   3.240
  539    HE2  MET  60           HE2      MET  60 -11.328 -17.970   4.677
  540    HE3  MET  60           HE3      MET  60 -10.038 -17.142   3.790
  541    H    SER  61           H        SER  61 -11.353 -22.458   8.815
  542    HA   SER  61           HA       SER  61 -13.886 -21.191   8.236
  543    HB2  SER  61           HB2      SER  61 -13.593 -23.619   8.407
  544    HB3  SER  61           HB3      SER  61 -13.184 -23.469  10.128
  545    HG   SER  61           HG       SER  61 -15.420 -24.003   9.748
  546    H    GLU  62           H        GLU  62 -11.913 -21.367  11.242
  547    HA   GLU  62           HA       GLU  62 -13.781 -19.941  12.877
  548    HB2  GLU  62           HB2      GLU  62 -11.882 -21.340  13.708
  549    HB3  GLU  62           HB3      GLU  62 -10.761 -20.103  13.148
  550    HG2  GLU  62           HG2      GLU  62 -11.052 -19.811  15.489
  551    HG3  GLU  62           HG3      GLU  62 -11.834 -18.455  14.692
  552    H    LEU  63           H        LEU  63 -11.042 -18.720  10.889
  553    HA   LEU  63           HA       LEU  63 -11.422 -15.925  11.424
  554    HB2  LEU  63           HB2      LEU  63  -9.438 -16.774  10.261
  555    HB3  LEU  63           HB3      LEU  63 -10.430 -17.417   8.959
  556    HG   LEU  63           HG       LEU  63 -11.109 -15.044   8.362
  557   HD11  LEU  63          HD11      LEU  63  -9.683 -13.210   9.205
  558   HD12  LEU  63          HD12      LEU  63 -10.574 -13.954  10.534
  559   HD13  LEU  63          HD13      LEU  63  -8.855 -14.335  10.304
  560   HD21  LEU  63          HD21      LEU  63  -9.057 -14.537   7.188
  561   HD22  LEU  63          HD22      LEU  63  -8.123 -15.599   8.273
  562   HD23  LEU  63          HD23      LEU  63  -9.339 -16.279   7.155
  563    H    ILE  64           H        ILE  64 -12.915 -18.016   8.896
  564    HA   ILE  64           HA       ILE  64 -14.581 -16.019   7.722
  565    HB   ILE  64           HB       ILE  64 -14.745 -19.024   7.942
  566   HG12  ILE  64          HG12      ILE  64 -14.432 -17.319   5.451
  567   HG13  ILE  64          HG13      ILE  64 -13.046 -17.719   6.470
  568   HG21  ILE  64          HG21      ILE  64 -16.734 -17.291   6.413
  569   HG22  ILE  64          HG22      ILE  64 -16.574 -19.056   6.269
  570   HG23  ILE  64          HG23      ILE  64 -17.097 -18.369   7.791
  571   HD11  ILE  64          HD11      ILE  64 -13.217 -19.300   4.611
  572   HD12  ILE  64          HD12      ILE  64 -13.431 -20.124   6.165
  573   HD13  ILE  64          HD13      ILE  64 -14.836 -19.778   5.141
  574    H    LYS  65           H        LYS  65 -15.320 -18.175  10.511
  575    HA   LYS  65           HA       LYS  65 -17.965 -17.223  10.977
  576    HB2  LYS  65           HB2      LYS  65 -15.867 -18.384  12.838
  577    HB3  LYS  65           HB3      LYS  65 -17.497 -17.980  13.381
  578    HG2  LYS  65           HG2      LYS  65 -18.523 -19.615  12.014
  579    HG3  LYS  65           HG3      LYS  65 -17.103 -19.798  10.988
  580    HD2  LYS  65           HD2      LYS  65 -17.310 -21.737  12.443
  581    HD3  LYS  65           HD3      LYS  65 -15.843 -20.832  12.815
  582    HE2  LYS  65           HE2      LYS  65 -17.217 -19.700  14.709
  583    HE3  LYS  65           HE3      LYS  65 -18.455 -20.924  14.398
  584    HZ1  LYS  65           HZ1      LYS  65 -16.697 -22.620  14.867
  585    HZ2  LYS  65           HZ2      LYS  65 -15.627 -21.412  15.223
  586    HZ3  LYS  65           HZ3      LYS  65 -16.949 -21.645  16.158
  587    H    ILE  66           H        ILE  66 -14.939 -15.984  12.512
  588    HA   ILE  66           HA       ILE  66 -16.378 -13.903  13.911
  589    HB   ILE  66           HB       ILE  66 -14.308 -14.663  14.760
  590   HG12  ILE  66          HG12      ILE  66 -15.083 -12.212  15.063
  591   HG13  ILE  66          HG13      ILE  66 -13.507 -12.720  15.616
  592   HG21  ILE  66          HG21      ILE  66 -12.096 -14.108  13.821
  593   HG22  ILE  66          HG22      ILE  66 -13.003 -15.206  12.805
  594   HG23  ILE  66          HG23      ILE  66 -12.868 -13.513  12.334
  595   HD11  ILE  66          HD11      ILE  66 -13.396 -10.508  14.608
  596   HD12  ILE  66          HD12      ILE  66 -12.394 -11.659  13.717
  597   HD13  ILE  66          HD13      ILE  66 -13.964 -11.145  13.055
  598    H    ILE  67           H        ILE  67 -14.660 -13.832  10.747
  599    HA   ILE  67           HA       ILE  67 -15.177 -11.011  10.378
  600    HB   ILE  67           HB       ILE  67 -14.442 -13.194   8.406
  601   HG12  ILE  67          HG12      ILE  67 -12.669 -12.786  10.049
  602   HG13  ILE  67          HG13      ILE  67 -12.203 -12.199   8.470
  603   HG21  ILE  67          HG21      ILE  67 -14.594 -10.175   7.999
  604   HG22  ILE  67          HG22      ILE  67 -13.752 -11.299   6.906
  605   HG23  ILE  67          HG23      ILE  67 -15.498 -11.430   7.132
  606   HD11  ILE  67          HD11      ILE  67 -12.697  -9.850   9.250
  607   HD12  ILE  67          HD12      ILE  67 -13.074 -10.506  10.856
  608   HD13  ILE  67          HD13      ILE  67 -11.448 -10.681  10.188
  609    H    ARG  68           H        ARG  68 -17.070 -13.885   9.278
  610    HA   ARG  68           HA       ARG  68 -19.099 -12.467   7.879
  611    HB2  ARG  68           HB2      ARG  68 -18.813 -14.943   7.891
  612    HB3  ARG  68           HB3      ARG  68 -19.325 -14.999   9.576
  613    HG2  ARG  68           HG2      ARG  68 -21.547 -14.068   8.890
  614    HG3  ARG  68           HG3      ARG  68 -21.034 -14.122   7.202
  615    HD2  ARG  68           HD2      ARG  68 -21.176 -16.537   9.057
  616    HD3  ARG  68           HD3      ARG  68 -22.503 -16.021   8.023
  617    HE   ARG  68           HE       ARG  68 -21.108 -16.412   6.043
  618   HH11  ARG  68          HH11      ARG  68 -20.513 -18.349   8.887
  619   HH12  ARG  68          HH12      ARG  68 -19.785 -19.631   7.966
  620   HH21  ARG  68          HH21      ARG  68 -19.965 -18.017   4.924
  621   HH22  ARG  68          HH22      ARG  68 -19.566 -19.465   5.792
  622    H    ARG  69           H        ARG  69 -18.941 -13.235  11.367
  623    HA   ARG  69           HA       ARG  69 -21.323 -11.775  12.094
  624    HB2  ARG  69           HB2      ARG  69 -20.441 -13.567  13.457
  625    HB3  ARG  69           HB3      ARG  69 -18.921 -12.726  13.708
  626    HG2  ARG  69           HG2      ARG  69 -20.395 -12.682  15.689
  627    HG3  ARG  69           HG3      ARG  69 -19.938 -11.080  15.132
  628    HD2  ARG  69           HD2      ARG  69 -22.279 -11.169  15.864
  629    HD3  ARG  69           HD3      ARG  69 -22.136 -10.704  14.170
  630    HE   ARG  69           HE       ARG  69 -22.626 -13.580  14.740
  631   HH11  ARG  69          HH11      ARG  69 -24.201 -10.521  13.947
  632   HH12  ARG  69          HH12      ARG  69 -25.600 -11.357  13.292
  633   HH21  ARG  69          HH21      ARG  69 -24.531 -14.500  13.950
  634   HH22  ARG  69          HH22      ARG  69 -25.798 -13.430  13.377
  635    H    ARG  70           H        ARG  70 -17.867 -10.698  12.179
  636    HA   ARG  70           HA       ARG  70 -18.558  -8.032  13.130
  637    HB2  ARG  70           HB2      ARG  70 -16.062  -9.046  11.699
  638    HB3  ARG  70           HB3      ARG  70 -16.233  -7.422  12.354
  639    HG2  ARG  70           HG2      ARG  70 -16.188 -10.006  13.945
  640    HG3  ARG  70           HG3      ARG  70 -14.972  -8.734  13.901
  641    HD2  ARG  70           HD2      ARG  70 -16.657  -7.165  14.916
  642    HD3  ARG  70           HD3      ARG  70 -17.772  -8.515  15.106
  643    HE   ARG  70           HE       ARG  70 -15.418  -7.893  16.724
  644   HH11  ARG  70          HH11      ARG  70 -17.502 -10.634  15.944
  645   HH12  ARG  70          HH12      ARG  70 -17.184 -11.367  17.491
  646   HH21  ARG  70          HH21      ARG  70 -15.112  -8.800  18.519
  647   HH22  ARG  70          HH22      ARG  70 -15.833 -10.348  18.966
  648    H    LEU  71           H        LEU  71 -18.564  -9.332   9.878
  649    HA   LEU  71           HA       LEU  71 -19.200  -6.724   8.678
  650    HB2  LEU  71           HB2      LEU  71 -19.306  -9.575   7.627
  651    HB3  LEU  71           HB3      LEU  71 -19.687  -8.161   6.652
  652    HG   LEU  71           HG       LEU  71 -16.963  -8.660   7.930
  653   HD11  LEU  71          HD11      LEU  71 -16.244  -9.181   5.639
  654   HD12  LEU  71          HD12      LEU  71 -17.530 -10.287   6.158
  655   HD13  LEU  71          HD13      LEU  71 -17.901  -8.952   5.042
  656   HD21  LEU  71          HD21      LEU  71 -16.207  -6.890   6.349
  657   HD22  LEU  71          HD22      LEU  71 -17.901  -6.559   5.928
  658   HD23  LEU  71          HD23      LEU  71 -17.300  -6.276   7.589
  659    H    GLN  72           H        GLN  72 -20.964  -8.273  10.866
  660    HA   GLN  72           HA       GLN  72 -23.078  -8.367  11.510
  661    HB2  GLN  72           HB2      GLN  72 -23.547  -6.138   9.500
  662    HB3  GLN  72           HB3      GLN  72 -24.634  -6.597  10.815
  663    HG2  GLN  72           HG2      GLN  72 -22.898  -6.067  12.489
  664    HG3  GLN  72           HG3      GLN  72 -21.792  -5.571  11.199
  665   HE21  GLN  72          HE21      GLN  72 -23.221  -2.419  12.421
  666   HE22  GLN  72          HE22      GLN  72 -22.081  -3.643  12.963
  667    H    LEU  73           H        LEU  73 -22.314 -10.157   9.210
  668    HA   LEU  73           HA       LEU  73 -24.907 -10.560   7.830
  669    HB2  LEU  73           HB2      LEU  73 -22.294 -12.066   7.553
  670    HB3  LEU  73           HB3      LEU  73 -23.701 -12.203   6.507
  671    HG   LEU  73           HG       LEU  73 -21.899  -9.756   6.817
  672   HD11  LEU  73          HD11      LEU  73 -20.907 -11.644   5.577
  673   HD12  LEU  73          HD12      LEU  73 -22.315 -11.647   4.480
  674   HD13  LEU  73          HD13      LEU  73 -21.214 -10.250   4.532
  675   HD21  LEU  73          HD21      LEU  73 -23.151  -8.835   4.878
  676   HD22  LEU  73          HD22      LEU  73 -24.292 -10.199   4.962
  677   HD23  LEU  73          HD23      LEU  73 -24.192  -9.015   6.287
  678    H    ASN  74           H        ASN  74 -26.444 -11.706   8.790
  679    HA   ASN  74           HA       ASN  74 -25.885 -13.787  10.798
  680    HB2  ASN  74           HB2      ASN  74 -28.442 -12.737   9.512
  681    HB3  ASN  74           HB3      ASN  74 -28.424 -14.050  10.688
  682   HD21  ASN  74          HD21      ASN  74 -28.937 -10.675  12.371
  683   HD22  ASN  74          HD22      ASN  74 -29.622 -11.299  10.880
  684    H    ALA  75           H        ALA  75 -26.862 -15.991  10.543
  685    HA   ALA  75           HA       ALA  75 -25.508 -17.339   8.496
  686    HB1  ALA  75           HB1      ALA  75 -26.654 -19.333   9.389
  687    HB2  ALA  75           HB2      ALA  75 -26.102 -18.276  10.699
  688    HB3  ALA  75           HB3      ALA  75 -27.822 -18.301  10.237
  689    H    ASN  76           H        ASN  76 -28.755 -16.016   8.292
  690    HA   ASN  76           HA       ASN  76 -29.653 -17.578   6.025
  691    HB2  ASN  76           HB2      ASN  76 -30.466 -14.832   7.069
  692    HB3  ASN  76           HB3      ASN  76 -31.301 -15.684   5.780
  693   HD21  ASN  76          HD21      ASN  76 -32.992 -16.339   9.089
  694   HD22  ASN  76          HD22      ASN  76 -32.435 -14.855   8.332
  695    H    GLN  77           H        GLN  77 -27.352 -14.936   6.247
  696    HA   GLN  77           HA       GLN  77 -27.586 -14.208   3.395
  697    HB2  GLN  77           HB2      GLN  77 -25.520 -13.329   5.450
  698    HB3  GLN  77           HB3      GLN  77 -25.804 -12.632   3.859
  699    HG2  GLN  77           HG2      GLN  77 -27.581 -12.460   6.318
  700    HG3  GLN  77           HG3      GLN  77 -26.757 -11.150   5.478
  701   HE21  GLN  77          HE21      GLN  77 -29.237 -11.163   2.755
  702   HE22  GLN  77          HE22      GLN  77 -27.518 -10.905   3.016
  703    H    ALA  78           H        ALA  78 -26.369 -15.073   1.780
  704    HA   ALA  78           HA       ALA  78 -24.421 -17.185   2.309
  705    HB1  ALA  78           HB1      ALA  78 -25.176 -15.735  -0.267
  706    HB2  ALA  78           HB2      ALA  78 -24.181 -17.205  -0.140
  707    HB3  ALA  78           HB3      ALA  78 -25.886 -17.250   0.338
  708    H    PHE  79           H        PHE  79 -22.281 -16.922   2.680
  709    HA   PHE  79           HA       PHE  79 -20.793 -14.717   1.543
  710    HB2  PHE  79           HB2      PHE  79 -21.490 -13.415   3.277
  711    HB3  PHE  79           HB3      PHE  79 -21.404 -14.704   4.457
  712    HD1  PHE  79           HD1      PHE  79 -19.606 -11.986   2.869
  713    HD2  PHE  79           HD2      PHE  79 -19.125 -15.475   5.351
  714    HE1  PHE  79           HE1      PHE  79 -17.413 -11.140   3.655
  715    HE2  PHE  79           HE2      PHE  79 -16.930 -14.634   6.115
  716    HZ   PHE  79           HZ       PHE  79 -16.062 -12.475   5.249
  717    H    PHE  80           H        PHE  80 -18.787 -15.078   1.045
  718    HA   PHE  80           HA       PHE  80 -17.312 -17.393   2.249
  719    HB2  PHE  80           HB2      PHE  80 -17.553 -16.680  -0.715
  720    HB3  PHE  80           HB3      PHE  80 -16.651 -18.029  -0.044
  721    HD1  PHE  80           HD1      PHE  80 -20.075 -16.698  -0.718
  722    HD2  PHE  80           HD2      PHE  80 -17.721 -20.144   0.352
  723    HE1  PHE  80           HE1      PHE  80 -22.051 -18.161  -1.059
  724    HE2  PHE  80           HE2      PHE  80 -19.698 -21.600   0.016
  725    HZ   PHE  80           HZ       PHE  80 -21.870 -20.609  -0.685
  726    H    LEU  81           H        LEU  81 -15.136 -16.935   2.625
  727    HA   LEU  81           HA       LEU  81 -13.954 -14.391   1.560
  728    HB2  LEU  81           HB2      LEU  81 -13.014 -16.369   3.685
  729    HB3  LEU  81           HB3      LEU  81 -12.002 -15.078   3.046
  730    HG   LEU  81           HG       LEU  81 -14.575 -14.692   4.620
  731   HD11  LEU  81          HD11      LEU  81 -11.682 -14.042   5.322
  732   HD12  LEU  81          HD12      LEU  81 -13.102 -13.823   6.359
  733   HD13  LEU  81          HD13      LEU  81 -12.568 -15.459   5.926
  734   HD21  LEU  81          HD21      LEU  81 -14.373 -12.843   3.085
  735   HD22  LEU  81          HD22      LEU  81 -13.820 -12.269   4.656
  736   HD23  LEU  81          HD23      LEU  81 -12.629 -12.651   3.407
  737    H    LEU  82           H        LEU  82 -13.216 -14.634  -0.460
  738    HA   LEU  82           HA       LEU  82 -12.169 -17.247  -1.363
  739    HB2  LEU  82           HB2      LEU  82 -12.564 -14.786  -3.063
  740    HB3  LEU  82           HB3      LEU  82 -12.495 -16.465  -3.549
  741    HG   LEU  82           HG       LEU  82 -14.822 -15.148  -2.036
  742   HD11  LEU  82          HD11      LEU  82 -14.635 -14.404  -4.362
  743   HD12  LEU  82          HD12      LEU  82 -14.478 -16.084  -4.925
  744   HD13  LEU  82          HD13      LEU  82 -15.995 -15.526  -4.201
  745   HD21  LEU  82          HD21      LEU  82 -14.502 -17.955  -3.237
  746   HD22  LEU  82          HD22      LEU  82 -14.606 -17.579  -1.500
  747   HD23  LEU  82          HD23      LEU  82 -15.995 -17.281  -2.556
  748    H    VAL  83           H        VAL  83 -10.083 -17.554  -0.796
  749    HA   VAL  83           HA       VAL  83  -8.219 -15.357  -0.466
  750    HB   VAL  83           HB       VAL  83  -7.313 -18.219  -0.563
  751   HG11  VAL  83          HG11      VAL  83  -6.506 -15.797   1.123
  752   HG12  VAL  83          HG12      VAL  83  -5.716 -17.391   1.099
  753   HG13  VAL  83          HG13      VAL  83  -5.668 -16.357  -0.341
  754   HG21  VAL  83          HG21      VAL  83  -7.770 -18.344   1.904
  755   HG22  VAL  83          HG22      VAL  83  -8.783 -16.889   1.745
  756   HG23  VAL  83          HG23      VAL  83  -9.222 -18.398   0.910
  757    H    ASN  84           H        ASN  84  -7.126 -14.347  -2.066
  758    HA   ASN  84           HA       ASN  84  -6.634 -13.768  -4.227
  759    HB2  ASN  84           HB2      ASN  84  -5.608 -16.623  -4.429
  760    HB3  ASN  84           HB3      ASN  84  -5.133 -15.272  -5.450
  761   HD21  ASN  84          HD21      ASN  84  -2.829 -15.964  -2.413
  762   HD22  ASN  84          HD22      ASN  84  -3.856 -17.131  -3.244
  763    H    GLY  85           H        GLY  85  -9.379 -14.819  -3.821
  764    HA2  GLY  85           HA2      GLY  85 -11.225 -15.011  -5.267
  765    HA3  GLY  85           HA3      GLY  85 -10.159 -15.338  -6.623
  766    H    HIS  86           H        HIS  86  -9.053 -17.522  -4.427
  767    HA   HIS  86           HA       HIS  86 -10.786 -19.745  -5.385
  768    HB2  HIS  86           HB2      HIS  86  -8.433 -20.067  -5.670
  769    HB3  HIS  86           HB3      HIS  86  -8.074 -19.529  -4.041
  770    HD1  HIS  86           HD1      HIS  86  -6.899 -21.565  -3.079
  771    HD2  HIS  86           HD2      HIS  86 -10.598 -22.408  -4.970
  772    HE1  HIS  86           HE1      HIS  86  -7.446 -24.046  -2.578
  773    HE2  HIS  86           HE2      HIS  86  -9.706 -24.533  -3.723
  774    H    SER  87           H        SER  87 -12.385 -20.620  -4.117
  775    HA   SER  87           HA       SER  87 -12.866 -19.657  -1.413
  776    HB2  SER  87           HB2      SER  87 -14.713 -20.293  -2.872
  777    HB3  SER  87           HB3      SER  87 -14.134 -21.975  -2.899
  778    HG   SER  87           HG       SER  87 -15.731 -21.712  -1.302
  779    H    MET  88           H        MET  88 -12.404 -20.528   0.524
  780    HA   MET  88           HA       MET  88 -11.292 -23.301   0.697
  781    HB2  MET  88           HB2      MET  88 -10.157 -20.854   2.100
  782    HB3  MET  88           HB3      MET  88  -9.661 -22.533   2.371
  783    HG2  MET  88           HG2      MET  88  -9.000 -22.689  -0.040
  784    HG3  MET  88           HG3      MET  88  -9.397 -20.977  -0.223
  785    HE1  MET  88           HE1      MET  88  -7.397 -23.018   2.647
  786    HE2  MET  88           HE2      MET  88  -6.879 -23.632   1.061
  787    HE3  MET  88           HE3      MET  88  -5.752 -22.698   2.067
  788    H    VAL  89           H        VAL  89 -14.031 -21.995   1.321
  789    HA   VAL  89           HA       VAL  89 -14.163 -21.835   4.175
  790    HB   VAL  89           HB       VAL  89 -16.402 -21.343   4.061
  791   HG11  VAL  89          HG11      VAL  89 -15.492 -20.435   1.298
  792   HG12  VAL  89          HG12      VAL  89 -16.615 -19.640   2.419
  793   HG13  VAL  89          HG13      VAL  89 -14.887 -19.713   2.799
  794   HG21  VAL  89          HG21      VAL  89 -17.299 -23.276   2.852
  795   HG22  VAL  89          HG22      VAL  89 -17.894 -21.781   2.145
  796   HG23  VAL  89          HG23      VAL  89 -16.594 -22.679   1.334
  797    H    SER  90           H        SER  90 -14.390 -24.640   2.196
  798    HA   SER  90           HA       SER  90 -15.679 -26.359   4.159
  799    HB2  SER  90           HB2      SER  90 -14.918 -28.154   2.622
  800    HB3  SER  90           HB3      SER  90 -15.791 -26.857   1.784
  801    HG   SER  90           HG       SER  90 -13.844 -27.468   0.690
  802    H    VAL  91           H        VAL  91 -12.511 -25.030   4.006
  803    HA   VAL  91           HA       VAL  91 -11.243 -27.396   5.212
  804    HB   VAL  91           HB       VAL  91  -9.657 -24.992   4.396
  805   HG11  VAL  91          HG11      VAL  91  -9.104 -27.995   4.264
  806   HG12  VAL  91          HG12      VAL  91  -7.948 -26.684   3.957
  807   HG13  VAL  91          HG13      VAL  91  -8.580 -26.944   5.587
  808   HG21  VAL  91          HG21      VAL  91 -11.005 -25.413   2.390
  809   HG22  VAL  91          HG22      VAL  91  -9.357 -25.988   2.145
  810   HG23  VAL  91          HG23      VAL  91 -10.656 -27.148   2.496
  811    H    SER  92           H        SER  92 -10.495 -27.609   7.216
  812    HA   SER  92           HA       SER  92 -10.713 -25.302   9.097
  813    HB2  SER  92           HB2      SER  92 -11.990 -27.471   9.444
  814    HB3  SER  92           HB3      SER  92 -10.432 -28.230   9.817
  815    HG   SER  92           HG       SER  92 -11.529 -27.441  11.699
  816    H    THR  93           H        THR  93  -8.486 -25.393   7.284
  817    HA   THR  93           HA       THR  93  -6.192 -26.370   8.793
  818    HB   THR  93           HB       THR  93  -6.443 -26.624   6.303
  819    HG1  THR  93           HG1      THR  93  -4.260 -26.704   6.159
  820   HG21  THR  93          HG21      THR  93  -6.795 -24.158   5.784
  821   HG22  THR  93          HG22      THR  93  -5.106 -23.886   6.270
  822   HG23  THR  93          HG23      THR  93  -5.477 -24.930   4.886
  823    HA   PRO  94           HA       PRO  94  -5.056 -22.657  10.943
  824    HB2  PRO  94           HB2      PRO  94  -2.227 -23.367  10.167
  825    HB3  PRO  94           HB3      PRO  94  -2.862 -22.849  11.758
  826    HG2  PRO  94           HG2      PRO  94  -2.378 -25.458  11.302
  827    HG3  PRO  94           HG3      PRO  94  -3.909 -24.981  12.113
  828    HD2  PRO  94           HD2      PRO  94  -3.450 -25.672   9.201
  829    HD3  PRO  94           HD3      PRO  94  -4.751 -26.223  10.300
  830    H    ILE  95           H        ILE  95  -4.568 -20.472  10.544
  831    HA   ILE  95           HA       ILE  95  -4.684 -19.578   7.861
  832    HB   ILE  95           HB       ILE  95  -5.560 -18.356   9.811
  833   HG12  ILE  95          HG12      ILE  95  -4.905 -16.076   9.226
  834   HG13  ILE  95          HG13      ILE  95  -3.530 -16.661   8.296
  835   HG21  ILE  95          HG21      ILE  95  -4.085 -17.020  11.261
  836   HG22  ILE  95          HG22      ILE  95  -3.697 -18.727  11.413
  837   HG23  ILE  95          HG23      ILE  95  -2.651 -17.658  10.450
  838   HD11  ILE  95          HD11      ILE  95  -6.444 -17.336   7.677
  839   HD12  ILE  95          HD12      ILE  95  -5.549 -15.978   6.955
  840   HD13  ILE  95          HD13      ILE  95  -5.030 -17.640   6.638
  841    H    SER  96           H        SER  96  -1.853 -20.377   9.772
  842    HA   SER  96           HA       SER  96   0.140 -19.149   8.065
  843    HB2  SER  96           HB2      SER  96   1.640 -20.801   9.219
  844    HB3  SER  96           HB3      SER  96   0.719 -19.752  10.310
  845    HG   SER  96           HG       SER  96   0.684 -22.051  10.881
  846    H    GLU  97           H        GLU  97  -1.495 -22.342   8.086
  847    HA   GLU  97           HA       GLU  97  -0.020 -23.388   5.796
  848    HB2  GLU  97           HB2      GLU  97  -2.670 -24.241   7.013
  849    HB3  GLU  97           HB3      GLU  97  -1.802 -25.125   5.767
  850    HG2  GLU  97           HG2      GLU  97  -0.801 -24.578   8.596
  851    HG3  GLU  97           HG3      GLU  97  -1.496 -26.086   8.020
  852    H    VAL  98           H        VAL  98  -3.120 -21.638   6.219
  853    HA   VAL  98           HA       VAL  98  -3.860 -21.579   3.435
  854    HB   VAL  98           HB       VAL  98  -4.277 -19.433   5.545
  855   HG11  VAL  98          HG11      VAL  98  -6.160 -18.669   4.097
  856   HG12  VAL  98          HG12      VAL  98  -4.593 -18.459   3.312
  857   HG13  VAL  98          HG13      VAL  98  -5.636 -19.813   2.849
  858   HG21  VAL  98          HG21      VAL  98  -5.376 -21.562   6.171
  859   HG22  VAL  98          HG22      VAL  98  -6.541 -20.307   5.760
  860   HG23  VAL  98          HG23      VAL  98  -6.186 -21.598   4.588
  861    H    TYR  99           H        TYR  99  -1.785 -19.327   5.370
  862    HA   TYR  99           HA       TYR  99  -0.877 -17.799   3.202
  863    HB2  TYR  99           HB2      TYR  99  -0.409 -16.820   5.150
  864    HB3  TYR  99           HB3      TYR  99   0.178 -18.287   5.908
  865    HD1  TYR  99           HD1      TYR  99   1.098 -16.026   3.028
  866    HD2  TYR  99           HD2      TYR  99   2.469 -18.538   6.255
  867    HE1  TYR  99           HE1      TYR  99   3.457 -15.315   2.597
  868    HE2  TYR  99           HE2      TYR  99   4.811 -17.840   5.811
  869    HH   TYR  99           HH       TYR  99   6.196 -16.439   4.595
  870    H    GLU 100           H        GLU 100   0.834 -20.745   4.365
  871    HA   GLU 100           HA       GLU 100   2.749 -20.735   2.301
  872    HB2  GLU 100           HB2      GLU 100   2.966 -22.136   4.246
  873    HB3  GLU 100           HB3      GLU 100   1.455 -22.963   3.892
  874    HG2  GLU 100           HG2      GLU 100   3.301 -24.409   3.415
  875    HG3  GLU 100           HG3      GLU 100   2.413 -24.051   1.946
  876    H    SER 101           H        SER 101  -0.612 -21.878   2.148
  877    HA   SER 101           HA       SER 101  -0.350 -23.080  -0.508
  878    HB2  SER 101           HB2      SER 101  -2.802 -22.297   1.124
  879    HB3  SER 101           HB3      SER 101  -2.811 -23.241  -0.371
  880    HG   SER 101           HG       SER 101  -1.691 -23.942   2.148
  881    H    GLU 102           H        GLU 102  -1.271 -19.883   0.686
  882    HA   GLU 102           HA       GLU 102  -1.991 -18.963  -2.066
  883    HB2  GLU 102           HB2      GLU 102  -3.339 -18.406   0.589
  884    HB3  GLU 102           HB3      GLU 102  -3.736 -17.569  -0.886
  885    HG2  GLU 102           HG2      GLU 102  -4.003 -20.579  -0.482
  886    HG3  GLU 102           HG3      GLU 102  -5.287 -19.405  -0.298
  887    H    LYS 103           H        LYS 103   0.597 -18.608  -0.494
  888    HA   LYS 103           HA       LYS 103   1.315 -16.014   0.014
  889    HB2  LYS 103           HB2      LYS 103   2.623 -18.279  -1.477
  890    HB3  LYS 103           HB3      LYS 103   3.367 -16.693  -1.639
  891    HG2  LYS 103           HG2      LYS 103   3.896 -16.497   0.604
  892    HG3  LYS 103           HG3      LYS 103   2.719 -17.708   1.121
  893    HD2  LYS 103           HD2      LYS 103   4.041 -19.516   0.145
  894    HD3  LYS 103           HD3      LYS 103   5.211 -18.341  -0.510
  895    HE2  LYS 103           HE2      LYS 103   5.810 -17.609   1.744
  896    HE3  LYS 103           HE3      LYS 103   4.561 -18.641   2.456
  897    HZ1  LYS 103           HZ1      LYS 103   5.748 -20.590   1.755
  898    HZ2  LYS 103           HZ2      LYS 103   6.868 -19.711   0.910
  899    HZ3  LYS 103           HZ3      LYS 103   6.813 -19.641   2.542
  900    H    ASP 104           H        ASP 104   0.945 -14.114  -0.858
  901    HA   ASP 104           HA       ASP 104   0.079 -13.852  -3.644
  902    HB2  ASP 104           HB2      ASP 104  -0.526 -11.687  -3.074
  903    HB3  ASP 104           HB3      ASP 104  -0.850 -12.633  -1.635
  904    H    GLU 105           H        GLU 105   1.139 -11.741  -4.782
  905    HA   GLU 105           HA       GLU 105   3.494 -12.775  -5.895
  906    HB2  GLU 105           HB2      GLU 105   2.371  -9.948  -6.009
  907    HB3  GLU 105           HB3      GLU 105   3.629 -10.553  -7.080
  908    HG2  GLU 105           HG2      GLU 105   0.780 -11.634  -6.887
  909    HG3  GLU 105           HG3      GLU 105   1.392 -10.533  -8.118
  910    H    ASP 106           H        ASP 106   3.300 -10.505  -3.207
  911    HA   ASP 106           HA       ASP 106   6.215 -10.642  -2.960
  912    HB2  ASP 106           HB2      ASP 106   4.817  -8.026  -3.317
  913    HB3  ASP 106           HB3      ASP 106   6.269  -8.119  -2.344
  914    H    GLY 107           H        GLY 107   3.434 -11.103  -1.317
  915    HA2  GLY 107           HA2      GLY 107   4.854 -11.173   1.275
  916    HA3  GLY 107           HA3      GLY 107   3.542 -10.012   1.117
  917    H    PHE 108           H        PHE 108   2.156 -10.890   2.548
  918    HA   PHE 108           HA       PHE 108   1.775 -13.721   2.764
  919    HB2  PHE 108           HB2      PHE 108   0.801 -11.470   4.427
  920    HB3  PHE 108           HB3      PHE 108   0.224 -13.108   4.661
  921    HD1  PHE 108           HD1      PHE 108   1.467 -14.739   5.838
  922    HD2  PHE 108           HD2      PHE 108   3.412 -11.105   4.581
  923    HE1  PHE 108           HE1      PHE 108   3.439 -15.318   7.213
  924    HE2  PHE 108           HE2      PHE 108   5.400 -11.713   5.917
  925    HZ   PHE 108           HZ       PHE 108   5.416 -13.827   7.238
  926    H    LEU 109           H        LEU 109  -1.207 -11.869   3.148
  927    HA   LEU 109           HA       LEU 109  -2.388 -13.646   1.038
  928    HB2  LEU 109           HB2      LEU 109  -3.215 -13.206   3.927
  929    HB3  LEU 109           HB3      LEU 109  -4.302 -13.914   2.739
  930    HG   LEU 109           HG       LEU 109  -1.665 -15.142   3.638
  931   HD11  LEU 109          HD11      LEU 109  -3.550 -15.174   5.306
  932   HD12  LEU 109          HD12      LEU 109  -4.563 -15.992   4.096
  933   HD13  LEU 109          HD13      LEU 109  -3.101 -16.785   4.729
  934   HD21  LEU 109          HD21      LEU 109  -2.700 -17.146   2.390
  935   HD22  LEU 109          HD22      LEU 109  -3.786 -15.985   1.621
  936   HD23  LEU 109          HD23      LEU 109  -2.033 -15.857   1.384
  937    H    TYR 110           H        TYR 110  -4.206 -13.143   0.062
  938    HA   TYR 110           HA       TYR 110  -5.614 -10.602   0.629
  939    HB2  TYR 110           HB2      TYR 110  -4.821 -11.679  -2.067
  940    HB3  TYR 110           HB3      TYR 110  -6.194 -10.617  -1.863
  941    HD1  TYR 110           HD1      TYR 110  -2.502 -10.827  -1.393
  942    HD2  TYR 110           HD2      TYR 110  -5.955  -8.261  -1.730
  943    HE1  TYR 110           HE1      TYR 110  -1.019  -8.866  -1.752
  944    HE2  TYR 110           HE2      TYR 110  -4.468  -6.292  -2.023
  945    HH   TYR 110           HH       TYR 110  -2.301  -5.570  -2.342
  946    H    MET 111           H        MET 111  -7.797 -10.759   0.941
  947    HA   MET 111           HA       MET 111  -9.152 -13.256  -0.051
  948    HB2  MET 111           HB2      MET 111  -9.578 -11.901   2.645
  949    HB3  MET 111           HB3      MET 111 -10.545 -13.230   1.983
  950    HG2  MET 111           HG2      MET 111  -8.451 -14.620   1.876
  951    HG3  MET 111           HG3      MET 111  -7.599 -13.317   2.713
  952    HE1  MET 111           HE1      MET 111  -7.442 -16.231   3.671
  953    HE2  MET 111           HE2      MET 111  -6.704 -14.891   4.579
  954    HE3  MET 111           HE3      MET 111  -7.724 -16.083   5.416
  955    H    VAL 112           H        VAL 112 -10.495 -12.690  -1.635
  956    HA   VAL 112           HA       VAL 112 -11.949 -10.100  -1.416
  957    HB   VAL 112           HB       VAL 112 -10.787 -10.531  -3.531
  958   HG11  VAL 112          HG11      VAL 112 -12.925 -12.636  -4.048
  959   HG12  VAL 112          HG12      VAL 112 -11.709 -12.039  -5.194
  960   HG13  VAL 112          HG13      VAL 112 -11.196 -12.968  -3.779
  961   HG21  VAL 112          HG21      VAL 112 -12.656  -8.971  -3.391
  962   HG22  VAL 112          HG22      VAL 112 -12.664  -9.816  -4.948
  963   HG23  VAL 112          HG23      VAL 112 -13.808 -10.302  -3.670
  964    H    TYR 113           H        TYR 113 -14.110 -10.050  -0.766
  965    HA   TYR 113           HA       TYR 113 -15.180 -12.763  -0.058
  966    HB2  TYR 113           HB2      TYR 113 -16.199 -11.846   1.771
  967    HB3  TYR 113           HB3      TYR 113 -14.621 -11.096   1.740
  968    HD1  TYR 113           HD1      TYR 113 -14.372  -8.744   1.692
  969    HD2  TYR 113           HD2      TYR 113 -18.230 -10.529   1.050
  970    HE1  TYR 113           HE1      TYR 113 -15.460  -6.550   2.198
  971    HE2  TYR 113           HE2      TYR 113 -19.329  -8.323   1.520
  972    HH   TYR 113           HH       TYR 113 -19.002  -6.142   2.283
  973    H    ALA 114           H        ALA 114 -17.246 -13.340  -0.512
  974    HA   ALA 114           HA       ALA 114 -18.916 -11.707  -2.395
  975    HB1  ALA 114           HB1      ALA 114 -17.632 -14.402  -3.007
  976    HB2  ALA 114           HB2      ALA 114 -18.683 -13.454  -4.080
  977    HB3  ALA 114           HB3      ALA 114 -17.076 -12.853  -3.671
  978    H    SER 115           H        SER 115 -20.978 -12.612  -2.823
  979    HA   SER 115           HA       SER 115 -22.056 -14.450  -0.800
  980    HB2  SER 115           HB2      SER 115 -24.227 -13.905  -2.015
  981    HB3  SER 115           HB3      SER 115 -23.413 -12.580  -1.176
  982    HG   SER 115           HG       SER 115 -24.075 -11.978  -3.291
  983    H    GLN 116           H        GLN 116 -20.386 -14.977  -3.572
  984    HA   GLN 116           HA       GLN 116 -21.302 -17.744  -3.783
  985    HB2  GLN 116           HB2      GLN 116 -21.652 -17.708  -6.163
  986    HB3  GLN 116           HB3      GLN 116 -22.772 -16.601  -5.399
  987    HG2  GLN 116           HG2      GLN 116 -20.270 -15.817  -6.973
  988    HG3  GLN 116           HG3      GLN 116 -21.933 -15.734  -7.531
  989   HE21  GLN 116          HE21      GLN 116 -22.633 -13.029  -5.064
  990   HE22  GLN 116          HE22      GLN 116 -23.426 -14.391  -5.847
  991    H    GLU 117           H        GLU 117 -19.643 -19.139  -4.481
  992    HA   GLU 117           HA       GLU 117 -16.951 -17.991  -4.840
  993    HB2  GLU 117           HB2      GLU 117 -16.134 -20.101  -4.578
  994    HB3  GLU 117           HB3      GLU 117 -17.476 -20.068  -3.456
  995    HG2  GLU 117           HG2      GLU 117 -17.388 -21.435  -6.188
  996    HG3  GLU 117           HG3      GLU 117 -17.149 -22.211  -4.644
  997    H    THR 118           H        THR 118 -19.550 -19.249  -6.810
  998    HA   THR 118           HA       THR 118 -18.399 -18.106  -9.199
  999    HB   THR 118           HB       THR 118 -17.288 -20.303  -9.284
 1000    HG1  THR 118           HG1      THR 118 -17.861 -20.675 -11.375
 1001   HG21  THR 118          HG21      THR 118 -19.011 -21.714  -8.124
 1002   HG22  THR 118          HG22      THR 118 -20.088 -21.516  -9.521
 1003   HG23  THR 118          HG23      THR 118 -18.537 -22.358  -9.699
 1004    H    PHE 119           H        PHE 119 -19.942 -17.892 -10.916
 1005    HA   PHE 119           HA       PHE 119 -22.738 -18.002 -10.058
 1006    HB2  PHE 119           HB2      PHE 119 -21.421 -16.813 -12.477
 1007    HB3  PHE 119           HB3      PHE 119 -23.163 -16.985 -12.345
 1008    HD1  PHE 119           HD1      PHE 119 -24.361 -16.015 -10.255
 1009    HD2  PHE 119           HD2      PHE 119 -20.366 -14.919 -11.467
 1010    HE1  PHE 119           HE1      PHE 119 -24.513 -13.944  -8.890
 1011    HE2  PHE 119           HE2      PHE 119 -20.528 -12.846 -10.116
 1012    HZ   PHE 119           HZ       PHE 119 -22.594 -12.369  -8.811
 1013    H    GLY 120           H        GLY 120 -20.757 -20.239 -11.452
 1014    HA2  GLY 120           HA2      GLY 120 -21.168 -22.411 -12.176
 1015    HA3  GLY 120           HA3      GLY 120 -22.896 -22.158 -11.935
 1016    H1   ASP  10           H1       ASP  10 -11.113  -5.779  21.390
 1017    H2   ASP  10           H2       ASP  10 -12.341  -5.141  22.270
 1018    H3   ASP  10           H3       ASP  10 -12.395  -5.098  20.632
 1019    HA   ASP  10           HA       ASP  10 -11.904  -2.949  21.481
 1020    HB2  ASP  10           HB2      ASP  10 -11.022  -3.387  23.594
 1021    HB3  ASP  10           HB3      ASP  10  -9.679  -4.320  22.946
 1022    H    TYR  11           H        TYR  11  -8.727  -4.457  20.668
 1023    HA   TYR  11           HA       TYR  11  -8.256  -2.429  18.796
 1024    HB2  TYR  11           HB2      TYR  11  -6.774  -4.766  19.739
 1025    HB3  TYR  11           HB3      TYR  11  -6.409  -4.310  18.107
 1026    HD1  TYR  11           HD1      TYR  11  -5.710  -1.933  17.544
 1027    HD2  TYR  11           HD2      TYR  11  -5.883  -3.464  21.586
 1028    HE1  TYR  11           HE1      TYR  11  -4.197  -0.108  18.308
 1029    HE2  TYR  11           HE2      TYR  11  -4.343  -1.658  22.334
 1030    HH   TYR  11           HH       TYR  11  -3.107   0.196  21.710
 1031    H    GLU  12           H        GLU  12  -8.912  -1.963  16.952
 1032    HA   GLU  12           HA       GLU  12  -9.063  -4.011  14.805
 1033    HB2  GLU  12           HB2      GLU  12 -10.879  -2.824  13.740
 1034    HB3  GLU  12           HB3      GLU  12 -11.339  -3.419  15.340
 1035    HG2  GLU  12           HG2      GLU  12 -10.987  -1.115  16.268
 1036    HG3  GLU  12           HG3      GLU  12 -10.571  -0.544  14.645
 1037    H    SER  13           H        SER  13  -8.821  -2.862  12.572
 1038    HA   SER  13           HA       SER  13  -6.208  -2.176  12.491
 1039    HB2  SER  13           HB2      SER  13  -8.358  -1.752  10.437
 1040    HB3  SER  13           HB3      SER  13  -6.652  -1.384  10.104
 1041    HG   SER  13           HG       SER  13  -7.662  -3.725   9.883
 1042    H    ASP  14           H        ASP  14  -4.825  -0.586  12.342
 1043    HA   ASP  14           HA       ASP  14  -5.653   2.161  11.823
 1044    HB2  ASP  14           HB2      ASP  14  -5.853   2.193  14.210
 1045    HB3  ASP  14           HB3      ASP  14  -4.272   1.451  14.409
 1046    H    ASP  15           H        ASP  15  -2.445   1.682  13.165
 1047    HA   ASP  15           HA       ASP  15  -1.221   0.643  10.785
 1048    HB2  ASP  15           HB2      ASP  15  -1.682   3.169  10.231
 1049    HB3  ASP  15           HB3      ASP  15  -0.468   3.527  11.454
 1050    H    ASP  16           H        ASP  16   1.135   0.533  11.071
 1051    HA   ASP  16           HA       ASP  16   2.923  -0.167  12.203
 1052    HB2  ASP  16           HB2      ASP  16   3.484   2.034  11.903
 1053    HB3  ASP  16           HB3      ASP  16   2.477   2.578  13.244
 1054    H    SER  17           H        SER  17   2.001   1.290  15.295
 1055    HA   SER  17           HA       SER  17   2.895  -1.142  16.621
 1056    HB2  SER  17           HB2      SER  17   2.661   0.210  18.666
 1057    HB3  SER  17           HB3      SER  17   3.580   1.051  17.411
 1058    HG   SER  17           HG       SER  17   2.009   2.432  18.376
 1059    H    TYR  18           H        TYR  18  -0.114  -0.299  15.472
 1060    HA   TYR  18           HA       TYR  18  -1.936  -0.936  17.543
 1061    HB2  TYR  18           HB2      TYR  18  -3.562  -0.868  15.831
 1062    HB3  TYR  18           HB3      TYR  18  -2.333   0.261  15.311
 1063    HD1  TYR  18           HD1      TYR  18  -4.544  -2.102  14.156
 1064    HD2  TYR  18           HD2      TYR  18  -0.361  -1.154  13.802
 1065    HE1  TYR  18           HE1      TYR  18  -4.439  -3.207  11.875
 1066    HE2  TYR  18           HE2      TYR  18  -0.262  -2.254  11.607
 1067    HH   TYR  18           HH       TYR  18  -1.391  -3.806  10.243
 1068    H    GLU  19           H        GLU  19  -3.488  -2.721  17.486
 1069    HA   GLU  19           HA       GLU  19  -2.513  -5.368  16.538
 1070    HB2  GLU  19           HB2      GLU  19  -3.917  -4.703  19.156
 1071    HB3  GLU  19           HB3      GLU  19  -3.812  -6.334  18.504
 1072    HG2  GLU  19           HG2      GLU  19  -1.437  -4.566  19.229
 1073    HG3  GLU  19           HG3      GLU  19  -2.092  -5.862  20.218
 1074    H    VAL  20           H        VAL  20  -4.547  -6.926  16.419
 1075    HA   VAL  20           HA       VAL  20  -6.815  -5.475  15.227
 1076    HB   VAL  20           HB       VAL  20  -5.715  -7.456  13.328
 1077   HG11  VAL  20          HG11      VAL  20  -6.775  -4.608  13.103
 1078   HG12  VAL  20          HG12      VAL  20  -6.318  -5.592  11.724
 1079   HG13  VAL  20          HG13      VAL  20  -7.681  -6.092  12.720
 1080   HG21  VAL  20          HG21      VAL  20  -3.565  -6.413  13.899
 1081   HG22  VAL  20          HG22      VAL  20  -4.108  -5.902  12.287
 1082   HG23  VAL  20          HG23      VAL  20  -4.279  -4.810  13.662
 1083    H    LEU  21           H        LEU  21  -8.436  -6.924  14.127
 1084    HA   LEU  21           HA       LEU  21  -9.803  -8.655  13.908
 1085    HB2  LEU  21           HB2      LEU  21  -7.622 -10.008  13.878
 1086    HB3  LEU  21           HB3      LEU  21  -7.992 -10.429  15.543
 1087    HG   LEU  21           HG       LEU  21 -10.135 -11.508  14.762
 1088   HD11  LEU  21          HD11      LEU  21 -10.307 -12.044  12.327
 1089   HD12  LEU  21          HD12      LEU  21 -10.491 -10.310  12.626
 1090   HD13  LEU  21          HD13      LEU  21  -8.952 -10.948  11.996
 1091   HD21  LEU  21          HD21      LEU  21  -7.545 -12.448  13.471
 1092   HD22  LEU  21          HD22      LEU  21  -8.077 -12.804  15.126
 1093   HD23  LEU  21          HD23      LEU  21  -8.992 -13.455  13.757
 1094    H    ASP  22           H        ASP  22  -9.308  -6.998  16.573
 1095    HA   ASP  22           HA       ASP  22 -10.472  -6.340  18.221
 1096    HB2  ASP  22           HB2      ASP  22 -12.026  -5.628  16.775
 1097    HB3  ASP  22           HB3      ASP  22 -12.621  -7.251  16.417
 1098    H    LEU  23           H        LEU  23 -11.304  -9.750  17.944
 1099    HA   LEU  23           HA       LEU  23 -11.829 -10.019  20.817
 1100    HB2  LEU  23           HB2      LEU  23 -11.697 -12.481  20.316
 1101    HB3  LEU  23           HB3      LEU  23 -12.963 -11.569  19.532
 1102    HG   LEU  23           HG       LEU  23 -11.879 -11.681  17.382
 1103   HD11  LEU  23          HD11      LEU  23  -9.855 -13.111  17.024
 1104   HD12  LEU  23          HD12      LEU  23  -9.495 -11.618  17.892
 1105   HD13  LEU  23          HD13      LEU  23  -9.611 -13.157  18.780
 1106   HD21  LEU  23          HD21      LEU  23 -12.011 -14.111  17.026
 1107   HD22  LEU  23          HD22      LEU  23 -11.851 -14.388  18.774
 1108   HD23  LEU  23          HD23      LEU  23 -13.289 -13.566  18.128
 1109    H    THR  24           H        THR  24 -10.513 -11.575  22.157
 1110    HA   THR  24           HA       THR  24  -7.818 -10.596  22.297
 1111    HB   THR  24           HB       THR  24  -7.519 -11.599  24.311
 1112    HG1  THR  24           HG1      THR  24  -8.725 -13.337  25.059
 1113   HG21  THR  24          HG21      THR  24 -10.552 -11.269  24.283
 1114   HG22  THR  24          HG22      THR  24  -9.453 -11.107  25.665
 1115   HG23  THR  24          HG23      THR  24  -9.397  -9.913  24.361
 1116    H    GLU  25           H        GLU  25  -5.827 -11.599  22.187
 1117    HA   GLU  25           HA       GLU  25  -5.633 -13.602  20.054
 1118    HB2  GLU  25           HB2      GLU  25  -3.284 -13.109  20.048
 1119    HB3  GLU  25           HB3      GLU  25  -4.212 -11.610  20.069
 1120    HG2  GLU  25           HG2      GLU  25  -3.813 -11.459  22.563
 1121    HG3  GLU  25           HG3      GLU  25  -2.777 -12.883  22.442
 1122    H    TYR  26           H        TYR  26  -4.048 -15.387  20.209
 1123    HA   TYR  26           HA       TYR  26  -4.727 -17.200  22.281
 1124    HB2  TYR  26           HB2      TYR  26  -2.883 -17.395  19.936
 1125    HB3  TYR  26           HB3      TYR  26  -2.886 -18.628  21.178
 1126    HD1  TYR  26           HD1      TYR  26  -4.635 -20.235  21.421
 1127    HD2  TYR  26           HD2      TYR  26  -5.035 -16.986  18.611
 1128    HE1  TYR  26           HE1      TYR  26  -6.584 -21.379  20.378
 1129    HE2  TYR  26           HE2      TYR  26  -6.993 -18.133  17.578
 1130    HH   TYR  26           HH       TYR  26  -8.267 -21.239  18.788
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -9.189   6.078   4.493
    2    H2   MET   1           H2       MET   1 -10.789   5.940   4.778
    3    H3   MET   1           H3       MET   1  -9.712   5.356   5.862
    4    HA   MET   1           HA       MET   1 -10.112   4.386   3.099
    5    HB2  MET   1           HB2      MET   1  -7.978   3.813   3.241
    6    HB3  MET   1           HB3      MET   1  -7.943   3.721   5.000
    7    HG2  MET   1           HG2      MET   1  -8.960   1.489   4.917
    8    HG3  MET   1           HG3      MET   1  -9.101   1.585   3.161
    9    HE1  MET   1           HE1      MET   1  -7.354  -0.186   5.778
   10    HE2  MET   1           HE2      MET   1  -7.898  -0.935   4.256
   11    HE3  MET   1           HE3      MET   1  -6.179  -0.959   4.693
   12    HA   PRO   2           HA       PRO   2 -12.100   0.828   5.312
   13    HB2  PRO   2           HB2      PRO   2 -12.439   1.468   8.214
   14    HB3  PRO   2           HB3      PRO   2 -11.876  -0.037   7.427
   15    HG2  PRO   2           HG2      PRO   2 -10.162   1.603   8.695
   16    HG3  PRO   2           HG3      PRO   2  -9.705   0.798   7.155
   17    HD2  PRO   2           HD2      PRO   2 -10.768   3.607   7.574
   18    HD3  PRO   2           HD3      PRO   2  -9.313   3.080   6.680
   19    H    SER   3           H        SER   3 -13.952   1.191   4.250
   20    HA   SER   3           HA       SER   3 -16.353   2.381   5.412
   21    HB2  SER   3           HB2      SER   3 -14.901   4.380   4.856
   22    HB3  SER   3           HB3      SER   3 -14.884   3.856   3.169
   23    HG   SER   3           HG       SER   3 -16.510   5.493   3.813
   24    H    GLU   4           H        GLU   4 -17.732   2.952   3.123
   25    HA   GLU   4           HA       GLU   4 -18.265   0.457   1.752
   26    HB2  GLU   4           HB2      GLU   4 -20.007   2.067   2.138
   27    HB3  GLU   4           HB3      GLU   4 -19.105   3.329   1.304
   28    HG2  GLU   4           HG2      GLU   4 -20.953   2.550  -0.048
   29    HG3  GLU   4           HG3      GLU   4 -19.417   2.258  -0.845
   30    H    LYS   5           H        LYS   5 -16.029   3.083   1.158
   31    HA   LYS   5           HA       LYS   5 -15.301   2.263  -1.590
   32    HB2  LYS   5           HB2      LYS   5 -13.857   4.138   0.329
   33    HB3  LYS   5           HB3      LYS   5 -13.568   3.967  -1.395
   34    HG2  LYS   5           HG2      LYS   5 -16.063   5.118  -0.068
   35    HG3  LYS   5           HG3      LYS   5 -14.805   6.004  -0.924
   36    HD2  LYS   5           HD2      LYS   5 -15.428   4.800  -3.043
   37    HD3  LYS   5           HD3      LYS   5 -16.763   4.012  -2.165
   38    HE2  LYS   5           HE2      LYS   5 -17.713   6.229  -1.599
   39    HE3  LYS   5           HE3      LYS   5 -16.387   7.028  -2.450
   40    HZ1  LYS   5           HZ1      LYS   5 -18.398   5.232  -3.739
   41    HZ2  LYS   5           HZ2      LYS   5 -18.366   6.861  -3.857
   42    HZ3  LYS   5           HZ3      LYS   5 -17.172   5.980  -4.521
   43    H    THR   6           H        THR   6 -13.532   1.085  -2.184
   44    HA   THR   6           HA       THR   6 -12.417  -0.749  -0.212
   45    HB   THR   6           HB       THR   6 -13.131  -1.513  -2.426
   46    HG1  THR   6           HG1      THR   6 -11.310  -2.836  -2.661
   47   HG21  THR   6          HG21      THR   6 -10.517  -0.334  -3.464
   48   HG22  THR   6          HG22      THR   6 -11.691  -1.343  -4.344
   49   HG23  THR   6          HG23      THR   6 -12.131   0.300  -3.863
   50    H    PHE   7           H        PHE   7 -10.193  -1.305   0.043
   51    HA   PHE   7           HA       PHE   7  -8.687   0.900   1.118
   52    HB2  PHE   7           HB2      PHE   7  -7.149  -0.804   1.791
   53    HB3  PHE   7           HB3      PHE   7  -8.720  -1.577   1.851
   54    HD1  PHE   7           HD1      PHE   7  -9.300  -3.351   0.137
   55    HD2  PHE   7           HD2      PHE   7  -5.432  -1.420   0.192
   56    HE1  PHE   7           HE1      PHE   7  -8.441  -4.998  -1.503
   57    HE2  PHE   7           HE2      PHE   7  -4.594  -3.059  -1.455
   58    HZ   PHE   7           HZ       PHE   7  -6.101  -4.860  -2.311
   59    H    LYS   8           H        LYS   8  -8.489  -0.807  -2.009
   60    HA   LYS   8           HA       LYS   8  -5.851  -0.168  -2.726
   61    HB2  LYS   8           HB2      LYS   8  -7.252  -1.900  -3.778
   62    HB3  LYS   8           HB3      LYS   8  -8.315  -0.671  -4.454
   63    HG2  LYS   8           HG2      LYS   8  -6.899  -1.554  -6.174
   64    HG3  LYS   8           HG3      LYS   8  -6.505   0.142  -5.921
   65    HD2  LYS   8           HD2      LYS   8  -4.532  -0.602  -4.497
   66    HD3  LYS   8           HD3      LYS   8  -4.908  -2.273  -4.924
   67    HE2  LYS   8           HE2      LYS   8  -4.195  -0.014  -6.866
   68    HE3  LYS   8           HE3      LYS   8  -3.074  -1.242  -6.280
   69    HZ1  LYS   8           HZ1      LYS   8  -4.474  -2.943  -7.376
   70    HZ2  LYS   8           HZ2      LYS   8  -5.467  -1.785  -7.977
   71    HZ3  LYS   8           HZ3      LYS   8  -3.916  -1.855  -8.456
   72    H    GLN   9           H        GLN   9  -8.578   1.957  -2.754
   73    HA   GLN   9           HA       GLN   9  -7.652   4.023  -4.481
   74    HB2  GLN   9           HB2      GLN   9  -9.948   3.703  -3.432
   75    HB3  GLN   9           HB3      GLN   9  -9.257   4.242  -1.899
   76    HG2  GLN   9           HG2      GLN   9  -8.619   6.431  -3.142
   77    HG3  GLN   9           HG3      GLN   9  -9.647   5.845  -4.455
   78   HE21  GLN   9          HE21      GLN   9 -12.667   6.310  -2.467
   79   HE22  GLN   9          HE22      GLN   9 -12.014   5.345  -3.787
   80    H    ARG  10           H        ARG  10  -6.620   3.103  -1.215
   81    HA   ARG  10           HA       ARG  10  -4.934   5.583  -0.974
   82    HB2  ARG  10           HB2      ARG  10  -6.156   3.923   1.265
   83    HB3  ARG  10           HB3      ARG  10  -5.202   5.390   1.451
   84    HG2  ARG  10           HG2      ARG  10  -7.944   5.191   0.131
   85    HG3  ARG  10           HG3      ARG  10  -7.605   5.821   1.736
   86    HD2  ARG  10           HD2      ARG  10  -6.367   7.697   0.838
   87    HD3  ARG  10           HD3      ARG  10  -6.500   7.070  -0.811
   88    HE   ARG  10           HE       ARG  10  -9.006   7.291  -0.577
   89   HH11  ARG  10          HH11      ARG  10  -6.955   9.549   1.177
   90   HH12  ARG  10          HH12      ARG  10  -8.184  10.785   1.137
   91   HH21  ARG  10          HH21      ARG  10 -10.437   8.825  -0.600
   92   HH22  ARG  10          HH22      ARG  10 -10.145  10.383   0.153
   93    H    ARG  11           H        ARG  11  -4.845   2.117   0.131
   94    HA   ARG  11           HA       ARG  11  -1.907   2.484   0.542
   95    HB2  ARG  11           HB2      ARG  11  -3.821   0.324   1.508
   96    HB3  ARG  11           HB3      ARG  11  -2.071   0.358   1.795
   97    HG2  ARG  11           HG2      ARG  11  -2.334   2.630   2.875
   98    HG3  ARG  11           HG3      ARG  11  -4.085   2.458   2.712
   99    HD2  ARG  11           HD2      ARG  11  -3.977   0.380   4.096
  100    HD3  ARG  11           HD3      ARG  11  -2.242   0.625   4.308
  101    HE   ARG  11           HE       ARG  11  -4.476   2.286   5.409
  102   HH11  ARG  11          HH11      ARG  11  -4.069   3.503   7.263
  103   HH12  ARG  11          HH12      ARG  11  -2.418   3.644   7.842
  104   HH21  ARG  11          HH21      ARG  11  -0.981   1.743   5.458
  105   HH22  ARG  11          HH22      ARG  11  -0.832   2.604   6.987
  106    H    THR  12           H        THR  12  -1.170   2.521  -1.487
  107    HA   THR  12           HA       THR  12  -1.437   0.258  -3.311
  108    HB   THR  12           HB       THR  12  -0.199   1.416  -4.866
  109    HG1  THR  12           HG1      THR  12   1.112   3.202  -4.316
  110   HG21  THR  12          HG21      THR  12  -2.380   2.570  -4.348
  111   HG22  THR  12          HG22      THR  12  -1.478   3.709  -3.314
  112   HG23  THR  12          HG23      THR  12  -1.140   3.621  -5.054
  113    H    PHE  13           H        PHE  13   0.687  -0.618  -4.361
  114    HA   PHE  13           HA       PHE  13   1.798  -2.365  -2.547
  115    HB2  PHE  13           HB2      PHE  13   2.630  -1.589  -5.305
  116    HB3  PHE  13           HB3      PHE  13   3.658  -2.637  -4.354
  117    HD1  PHE  13           HD1      PHE  13   2.819  -4.797  -3.418
  118    HD2  PHE  13           HD2      PHE  13   0.583  -2.506  -6.312
  119    HE1  PHE  13           HE1      PHE  13   1.499  -6.815  -3.998
  120    HE2  PHE  13           HE2      PHE  13  -0.746  -4.527  -6.876
  121    HZ   PHE  13           HZ       PHE  13  -0.290  -6.685  -5.722
  122    H    GLU  14           H        GLU  14   3.309   0.801  -3.220
  123    HA   GLU  14           HA       GLU  14   5.764   0.143  -1.854
  124    HB2  GLU  14           HB2      GLU  14   4.354   2.820  -2.173
  125    HB3  GLU  14           HB3      GLU  14   6.009   2.621  -1.613
  126    HG2  GLU  14           HG2      GLU  14   4.944   1.835  -4.362
  127    HG3  GLU  14           HG3      GLU  14   5.854   3.289  -3.991
  128    H    GLN  15           H        GLN  15   2.698   1.528  -0.662
  129    HA   GLN  15           HA       GLN  15   3.558   1.767   2.106
  130    HB2  GLN  15           HB2      GLN  15   0.744   1.553   0.935
  131    HB3  GLN  15           HB3      GLN  15   1.147   2.055   2.574
  132    HG2  GLN  15           HG2      GLN  15   1.843   3.541  -0.001
  133    HG3  GLN  15           HG3      GLN  15   0.603   3.989   1.156
  134   HE21  GLN  15          HE21      GLN  15   3.771   6.006   1.738
  135   HE22  GLN  15          HE22      GLN  15   2.856   5.663   0.279
  136    H    ARG  16           H        ARG  16   1.776  -0.753   0.258
  137    HA   ARG  16           HA       ARG  16   1.361  -2.504   2.498
  138    HB2  ARG  16           HB2      ARG  16   1.711  -3.295  -0.419
  139    HB3  ARG  16           HB3      ARG  16   1.146  -4.304   0.905
  140    HG2  ARG  16           HG2      ARG  16  -0.642  -2.198   1.043
  141    HG3  ARG  16           HG3      ARG  16  -0.315  -2.292  -0.694
  142    HD2  ARG  16           HD2      ARG  16  -1.409  -4.452   1.142
  143    HD3  ARG  16           HD3      ARG  16  -2.208  -3.701  -0.242
  144    HE   ARG  16           HE       ARG  16   0.298  -5.348  -0.596
  145   HH11  ARG  16          HH11      ARG  16  -2.934  -6.347  -2.651
  146   HH12  ARG  16          HH12      ARG  16  -3.039  -4.948  -1.612
  147   HH21  ARG  16          HH21      ARG  16   0.290  -7.111  -1.690
  148   HH22  ARG  16          HH22      ARG  16  -1.023  -7.542  -2.771
  149    H    VAL  17           H        VAL  17   4.116  -2.333   0.190
  150    HA   VAL  17           HA       VAL  17   5.480  -4.665   1.112
  151    HB   VAL  17           HB       VAL  17   6.335  -2.186  -0.407
  152   HG11  VAL  17          HG11      VAL  17   8.510  -3.309  -0.890
  153   HG12  VAL  17          HG12      VAL  17   8.382  -2.777   0.783
  154   HG13  VAL  17          HG13      VAL  17   8.161  -4.494   0.382
  155   HG21  VAL  17          HG21      VAL  17   6.332  -5.148  -1.170
  156   HG22  VAL  17          HG22      VAL  17   4.971  -4.064  -1.487
  157   HG23  VAL  17          HG23      VAL  17   6.540  -3.758  -2.253
  158    H    GLU  18           H        GLU  18   5.808  -1.196   2.201
  159    HA   GLU  18           HA       GLU  18   7.763  -1.823   4.227
  160    HB2  GLU  18           HB2      GLU  18   5.636   0.348   4.096
  161    HB3  GLU  18           HB3      GLU  18   6.766   0.199   5.434
  162    HG2  GLU  18           HG2      GLU  18   7.495   0.688   2.527
  163    HG3  GLU  18           HG3      GLU  18   7.467   1.883   3.831
  164    H    ASP  19           H        ASP  19   4.181  -1.566   4.544
  165    HA   ASP  19           HA       ASP  19   4.099  -2.371   7.241
  166    HB2  ASP  19           HB2      ASP  19   2.246  -1.262   6.415
  167    HB3  ASP  19           HB3      ASP  19   2.093  -2.340   5.026
  168    H    VAL  20           H        VAL  20   3.756  -4.530   4.406
  169    HA   VAL  20           HA       VAL  20   3.344  -6.879   5.921
  170    HB   VAL  20           HB       VAL  20   2.929  -6.451   3.434
  171   HG11  VAL  20          HG11      VAL  20   5.334  -6.028   2.834
  172   HG12  VAL  20          HG12      VAL  20   5.651  -7.755   3.110
  173   HG13  VAL  20          HG13      VAL  20   4.507  -7.240   1.852
  174   HG21  VAL  20          HG21      VAL  20   2.320  -8.500   4.553
  175   HG22  VAL  20          HG22      VAL  20   2.972  -8.851   2.948
  176   HG23  VAL  20          HG23      VAL  20   3.981  -9.135   4.385
  177    H    ARG  21           H        ARG  21   6.411  -5.408   4.849
  178    HA   ARG  21           HA       ARG  21   8.107  -7.523   5.930
  179    HB2  ARG  21           HB2      ARG  21   8.623  -4.618   5.163
  180    HB3  ARG  21           HB3      ARG  21   9.877  -5.702   5.777
  181    HG2  ARG  21           HG2      ARG  21   9.616  -7.223   3.899
  182    HG3  ARG  21           HG3      ARG  21   8.199  -6.345   3.313
  183    HD2  ARG  21           HD2      ARG  21  10.091  -5.723   1.948
  184    HD3  ARG  21           HD3      ARG  21   9.582  -4.342   2.901
  185    HE   ARG  21           HE       ARG  21  11.565  -4.376   4.113
  186   HH11  ARG  21          HH11      ARG  21  11.552  -7.252   2.091
  187   HH12  ARG  21          HH12      ARG  21  13.249  -7.533   2.345
  188   HH21  ARG  21          HH21      ARG  21  13.722  -4.827   4.403
  189   HH22  ARG  21          HH22      ARG  21  14.434  -6.196   3.612
  190    H    LEU  22           H        LEU  22   6.974  -4.388   7.223
  191    HA   LEU  22           HA       LEU  22   8.335  -4.530   9.723
  192    HB2  LEU  22           HB2      LEU  22   5.800  -3.126   8.817
  193    HB3  LEU  22           HB3      LEU  22   6.413  -2.944  10.459
  194    HG   LEU  22           HG       LEU  22   8.213  -2.414   8.094
  195   HD11  LEU  22          HD11      LEU  22   6.180  -0.990   7.793
  196   HD12  LEU  22          HD12      LEU  22   6.417  -0.344   9.431
  197   HD13  LEU  22          HD13      LEU  22   7.620  -0.041   8.149
  198   HD21  LEU  22          HD21      LEU  22   9.350  -0.908   9.663
  199   HD22  LEU  22          HD22      LEU  22   8.171  -1.310  10.932
  200   HD23  LEU  22          HD23      LEU  22   9.279  -2.556  10.307
  201    H    ILE  23           H        ILE  23   4.920  -5.545   8.990
  202    HA   ILE  23           HA       ILE  23   4.490  -6.436  11.651
  203    HB   ILE  23           HB       ILE  23   2.785  -5.805   9.978
  204   HG12  ILE  23          HG12      ILE  23   2.240  -6.848  12.157
  205   HG13  ILE  23          HG13      ILE  23   1.057  -7.014  10.891
  206   HG21  ILE  23          HG21      ILE  23   2.931  -8.659   8.910
  207   HG22  ILE  23          HG22      ILE  23   1.783  -7.360   8.472
  208   HG23  ILE  23          HG23      ILE  23   3.490  -7.207   8.072
  209   HD11  ILE  23          HD11      ILE  23   2.865  -9.270  11.858
  210   HD12  ILE  23          HD12      ILE  23   1.178  -9.026  12.268
  211   HD13  ILE  23          HD13      ILE  23   1.619  -9.403  10.599
  212    H    ARG  24           H        ARG  24   5.581  -8.363   8.788
  213    HA   ARG  24           HA       ARG  24   5.745 -10.847  10.275
  214    HB2  ARG  24           HB2      ARG  24   7.205  -9.874   7.783
  215    HB3  ARG  24           HB3      ARG  24   7.353 -11.507   8.412
  216    HG2  ARG  24           HG2      ARG  24   4.755 -10.238   7.452
  217    HG3  ARG  24           HG3      ARG  24   5.760 -11.361   6.537
  218    HD2  ARG  24           HD2      ARG  24   4.274 -11.980   9.114
  219    HD3  ARG  24           HD3      ARG  24   3.803 -12.470   7.481
  220    HE   ARG  24           HE       ARG  24   6.198 -13.597   7.505
  221   HH11  ARG  24          HH11      ARG  24   3.730 -13.763  10.034
  222   HH12  ARG  24          HH12      ARG  24   4.470 -15.176  10.731
  223   HH21  ARG  24          HH21      ARG  24   6.995 -15.456   8.431
  224   HH22  ARG  24          HH22      ARG  24   6.153 -16.185   9.765
  225    H    GLU  25           H        GLU  25   8.064  -8.173  10.001
  226    HA   GLU  25           HA       GLU  25  10.146  -9.561  11.444
  227    HB2  GLU  25           HB2      GLU  25  10.668  -7.674  10.014
  228    HB3  GLU  25           HB3      GLU  25   9.623  -6.619  10.953
  229    HG2  GLU  25           HG2      GLU  25  11.881  -6.123  11.498
  230    HG3  GLU  25           HG3      GLU  25  11.099  -6.803  12.911
  231    H    GLN  26           H        GLN  26   7.654  -7.171  12.578
  232    HA   GLN  26           HA       GLN  26   8.599  -7.410  15.299
  233    HB2  GLN  26           HB2      GLN  26   6.798  -6.011  15.959
  234    HB3  GLN  26           HB3      GLN  26   7.678  -5.323  14.611
  235    HG2  GLN  26           HG2      GLN  26   5.880  -5.395  13.178
  236    HG3  GLN  26           HG3      GLN  26   5.173  -6.835  13.932
  237   HE21  GLN  26          HE21      GLN  26   2.772  -4.409  15.076
  238   HE22  GLN  26          HE22      GLN  26   3.037  -5.587  13.785
  239    H    HIS  27           H        HIS  27   5.990  -9.100  13.588
  240    HA   HIS  27           HA       HIS  27   5.631 -10.871  15.980
  241    HB2  HIS  27           HB2      HIS  27   3.339  -9.647  14.383
  242    HB3  HIS  27           HB3      HIS  27   3.184 -10.813  15.698
  243    HD1  HIS  27           HD1      HIS  27   4.912  -9.435  17.969
  244    HD2  HIS  27           HD2      HIS  27   2.124  -7.593  15.389
  245    HE1  HIS  27           HE1      HIS  27   4.022  -7.371  19.217
  246    HE2  HIS  27           HE2      HIS  27   2.351  -6.229  17.623
  247    HA   PRO  28           HA       PRO  28   6.220 -13.325  12.100
  248    HB2  PRO  28           HB2      PRO  28   7.713 -15.159  13.923
  249    HB3  PRO  28           HB3      PRO  28   8.136 -14.553  12.285
  250    HG2  PRO  28           HG2      PRO  28   9.350 -13.576  14.545
  251    HG3  PRO  28           HG3      PRO  28   8.968 -12.531  13.147
  252    HD2  PRO  28           HD2      PRO  28   7.441 -12.844  15.733
  253    HD3  PRO  28           HD3      PRO  28   7.843 -11.359  14.816
  254    H    THR  29           H        THR  29   4.858 -14.134  15.234
  255    HA   THR  29           HA       THR  29   3.531 -16.586  14.388
  256    HB   THR  29           HB       THR  29   2.350 -16.511  16.428
  257    HG1  THR  29           HG1      THR  29   2.377 -14.642  17.732
  258   HG21  THR  29          HG21      THR  29   5.061 -15.268  17.108
  259   HG22  THR  29          HG22      THR  29   4.073 -16.350  18.105
  260   HG23  THR  29          HG23      THR  29   4.837 -16.969  16.630
  261    H    LYS  30           H        LYS  30   2.902 -13.314  13.555
  262    HA   LYS  30           HA       LYS  30   0.043 -13.935  12.999
  263    HB2  LYS  30           HB2      LYS  30   1.390 -11.276  13.571
  264    HB3  LYS  30           HB3      LYS  30  -0.252 -11.422  12.914
  265    HG2  LYS  30           HG2      LYS  30  -0.962 -12.770  14.832
  266    HG3  LYS  30           HG3      LYS  30   0.670 -12.722  15.513
  267    HD2  LYS  30           HD2      LYS  30   0.489 -10.278  15.830
  268    HD3  LYS  30           HD3      LYS  30  -1.145 -10.294  15.124
  269    HE2  LYS  30           HE2      LYS  30  -1.935 -11.828  16.894
  270    HE3  LYS  30           HE3      LYS  30  -0.295 -11.943  17.555
  271    HZ1  LYS  30           HZ1      LYS  30  -1.580 -10.402  18.857
  272    HZ2  LYS  30           HZ2      LYS  30  -0.448  -9.520  18.072
  273    HZ3  LYS  30           HZ3      LYS  30  -2.024  -9.502  17.577
  274    H    ILE  31           H        ILE  31  -0.954 -13.362  11.200
  275    HA   ILE  31           HA       ILE  31   0.727 -13.533   8.753
  276    HB   ILE  31           HB       ILE  31  -2.026 -14.614   9.442
  277   HG12  ILE  31          HG12      ILE  31  -0.324 -15.852  10.647
  278   HG13  ILE  31          HG13      ILE  31  -0.997 -16.826   9.358
  279   HG21  ILE  31          HG21      ILE  31  -0.396 -14.841   6.897
  280   HG22  ILE  31          HG22      ILE  31  -1.782 -15.893   7.306
  281   HG23  ILE  31          HG23      ILE  31  -2.026 -14.163   7.089
  282   HD11  ILE  31          HD11      ILE  31   1.731 -15.467   9.282
  283   HD12  ILE  31          HD12      ILE  31   1.405 -17.184   9.522
  284   HD13  ILE  31          HD13      ILE  31   1.029 -16.438   7.967
  285    HA   PRO  32           HA       PRO  32  -1.460  -9.746   7.546
  286    HB2  PRO  32           HB2      PRO  32  -0.050  -9.117   5.308
  287    HB3  PRO  32           HB3      PRO  32   0.667  -9.033   6.943
  288    HG2  PRO  32           HG2      PRO  32   0.904 -11.272   4.905
  289    HG3  PRO  32           HG3      PRO  32   2.213 -10.486   5.841
  290    HD2  PRO  32           HD2      PRO  32   1.042 -12.837   6.606
  291    HD3  PRO  32           HD3      PRO  32   1.676 -11.640   7.780
  292    H    VAL  33           H        VAL  33  -3.478  -9.655   6.640
  293    HA   VAL  33           HA       VAL  33  -3.981 -11.139   4.109
  294    HB   VAL  33           HB       VAL  33  -5.978 -11.098   6.339
  295   HG11  VAL  33          HG11      VAL  33  -6.879 -13.093   5.120
  296   HG12  VAL  33          HG12      VAL  33  -6.924 -11.628   4.158
  297   HG13  VAL  33          HG13      VAL  33  -5.662 -12.846   3.863
  298   HG21  VAL  33          HG21      VAL  33  -3.892 -13.245   5.845
  299   HG22  VAL  33          HG22      VAL  33  -4.121 -12.281   7.319
  300   HG23  VAL  33          HG23      VAL  33  -5.342 -13.464   6.844
  301    H    ILE  34           H        ILE  34  -5.152 -10.250   2.580
  302    HA   ILE  34           HA       ILE  34  -6.494  -7.613   3.041
  303    HB   ILE  34           HB       ILE  34  -5.883  -9.076   0.445
  304   HG12  ILE  34          HG12      ILE  34  -3.793  -8.356   1.354
  305   HG13  ILE  34          HG13      ILE  34  -4.209  -7.357  -0.021
  306   HG21  ILE  34          HG21      ILE  34  -7.035  -6.290   0.941
  307   HG22  ILE  34          HG22      ILE  34  -6.466  -6.897  -0.628
  308   HG23  ILE  34          HG23      ILE  34  -7.839  -7.666   0.151
  309   HD11  ILE  34          HD11      ILE  34  -3.204  -6.009   1.751
  310   HD12  ILE  34          HD12      ILE  34  -4.883  -5.503   1.508
  311   HD13  ILE  34          HD13      ILE  34  -4.441  -6.518   2.908
  312    H    ILE  35           H        ILE  35  -8.699  -7.452   2.908
  313    HA   ILE  35           HA       ILE  35 -10.247  -9.730   1.828
  314    HB   ILE  35           HB       ILE  35 -10.531 -10.119   4.125
  315   HG12  ILE  35          HG12      ILE  35 -13.010  -8.575   3.197
  316   HG13  ILE  35          HG13      ILE  35 -12.540 -10.157   2.569
  317   HG21  ILE  35          HG21      ILE  35  -9.832  -7.974   5.089
  318   HG22  ILE  35          HG22      ILE  35 -11.277  -7.169   4.426
  319   HG23  ILE  35          HG23      ILE  35 -11.435  -8.374   5.696
  320   HD11  ILE  35          HD11      ILE  35 -12.744 -11.134   4.844
  321   HD12  ILE  35          HD12      ILE  35 -13.316  -9.561   5.456
  322   HD13  ILE  35          HD13      ILE  35 -14.259 -10.434   4.243
  323    H    GLU  36           H        GLU  36 -11.599  -9.116   0.266
  324    HA   GLU  36           HA       GLU  36 -12.631  -6.294   0.265
  325    HB2  GLU  36           HB2      GLU  36 -10.523  -6.684  -1.155
  326    HB3  GLU  36           HB3      GLU  36 -11.538  -7.699  -2.196
  327    HG2  GLU  36           HG2      GLU  36 -13.048  -5.744  -2.548
  328    HG3  GLU  36           HG3      GLU  36 -12.052  -4.778  -1.469
  329    H    ARG  37           H        ARG  37 -14.733  -6.022  -0.488
  330    HA   ARG  37           HA       ARG  37 -16.460  -8.309  -0.975
  331    HB2  ARG  37           HB2      ARG  37 -17.355  -6.195  -0.184
  332    HB3  ARG  37           HB3      ARG  37 -16.712  -5.340  -1.588
  333    HG2  ARG  37           HG2      ARG  37 -18.276  -6.649  -3.069
  334    HG3  ARG  37           HG3      ARG  37 -18.896  -7.477  -1.634
  335    HD2  ARG  37           HD2      ARG  37 -20.396  -5.686  -2.270
  336    HD3  ARG  37           HD3      ARG  37 -19.635  -5.312  -0.716
  337    HE   ARG  37           HE       ARG  37 -18.177  -4.146  -2.967
  338   HH11  ARG  37          HH11      ARG  37 -18.032  -1.829  -2.970
  339   HH12  ARG  37          HH12      ARG  37 -19.333  -0.964  -2.145
  340   HH21  ARG  37          HH21      ARG  37 -21.105  -3.543  -1.097
  341   HH22  ARG  37          HH22      ARG  37 -20.770  -1.793  -1.106
  342    H    TYR  38           H        TYR  38 -16.837  -9.428  -2.877
  343    HA   TYR  38           HA       TYR  38 -14.914  -9.312  -4.873
  344    HB2  TYR  38           HB2      TYR  38 -15.857 -11.372  -4.556
  345    HB3  TYR  38           HB3      TYR  38 -17.496 -10.747  -4.705
  346    HD1  TYR  38           HD1      TYR  38 -18.627 -11.731  -6.488
  347    HD2  TYR  38           HD2      TYR  38 -14.448 -10.701  -6.964
  348    HE1  TYR  38           HE1      TYR  38 -18.756 -12.301  -8.891
  349    HE2  TYR  38           HE2      TYR  38 -14.596 -11.276  -9.378
  350    HH   TYR  38           HH       TYR  38 -17.584 -12.530 -10.887
  351    H    LYS  39           H        LYS  39 -14.406  -8.188  -6.570
  352    HA   LYS  39           HA       LYS  39 -15.591  -5.788  -7.189
  353    HB2  LYS  39           HB2      LYS  39 -14.096  -5.672  -9.093
  354    HB3  LYS  39           HB3      LYS  39 -13.283  -6.364  -7.700
  355    HG2  LYS  39           HG2      LYS  39 -13.622  -8.666  -8.683
  356    HG3  LYS  39           HG3      LYS  39 -14.330  -7.919 -10.117
  357    HD2  LYS  39           HD2      LYS  39 -11.491  -7.441  -9.108
  358    HD3  LYS  39           HD3      LYS  39 -11.947  -8.574 -10.387
  359    HE2  LYS  39           HE2      LYS  39 -12.901  -6.663 -11.710
  360    HE3  LYS  39           HE3      LYS  39 -12.330  -5.543 -10.467
  361    HZ1  LYS  39           HZ1      LYS  39 -10.040  -6.294 -10.935
  362    HZ2  LYS  39           HZ2      LYS  39 -10.576  -7.318 -12.095
  363    HZ3  LYS  39           HZ3      LYS  39 -10.733  -5.709 -12.292
  364    H    GLY  40           H        GLY  40 -16.430  -8.862  -8.692
  365    HA2  GLY  40           HA2      GLY  40 -18.026  -7.680 -10.849
  366    HA3  GLY  40           HA3      GLY  40 -17.817  -9.391 -10.472
  367    H    GLU  41           H        GLU  41 -18.735  -8.182  -7.533
  368    HA   GLU  41           HA       GLU  41 -21.649  -8.130  -8.064
  369    HB2  GLU  41           HB2      GLU  41 -20.954 -10.531  -7.964
  370    HB3  GLU  41           HB3      GLU  41 -20.374 -10.266  -6.324
  371    HG2  GLU  41           HG2      GLU  41 -23.102  -9.238  -6.585
  372    HG3  GLU  41           HG3      GLU  41 -23.040 -10.841  -7.283
  373    H    LYS  42           H        LYS  42 -20.971  -5.920  -7.344
  374    HA   LYS  42           HA       LYS  42 -20.357  -5.440  -4.556
  375    HB2  LYS  42           HB2      LYS  42 -21.278  -3.559  -6.761
  376    HB3  LYS  42           HB3      LYS  42 -20.688  -3.048  -5.174
  377    HG2  LYS  42           HG2      LYS  42 -18.497  -4.076  -5.593
  378    HG3  LYS  42           HG3      LYS  42 -19.036  -4.638  -7.186
  379    HD2  LYS  42           HD2      LYS  42 -19.426  -2.307  -7.898
  380    HD3  LYS  42           HD3      LYS  42 -18.887  -1.719  -6.312
  381    HE2  LYS  42           HE2      LYS  42 -16.638  -2.668  -6.680
  382    HE3  LYS  42           HE3      LYS  42 -17.168  -3.391  -8.208
  383    HZ1  LYS  42           HZ1      LYS  42 -17.060  -0.457  -7.670
  384    HZ2  LYS  42           HZ2      LYS  42 -15.986  -1.283  -8.577
  385    HZ3  LYS  42           HZ3      LYS  42 -17.529  -1.139  -9.082
  386    H    GLN  43           H        GLN  43 -22.774  -7.028  -4.897
  387    HA   GLN  43           HA       GLN  43 -25.124  -5.386  -4.306
  388    HB2  GLN  43           HB2      GLN  43 -24.639  -8.385  -4.256
  389    HB3  GLN  43           HB3      GLN  43 -26.207  -7.625  -3.955
  390    HG2  GLN  43           HG2      GLN  43 -26.095  -6.558  -6.222
  391    HG3  GLN  43           HG3      GLN  43 -24.622  -7.472  -6.552
  392   HE21  GLN  43          HE21      GLN  43 -26.679 -10.651  -6.394
  393   HE22  GLN  43          HE22      GLN  43 -25.275 -10.073  -5.497
  394    H    LEU  44           H        LEU  44 -23.084  -7.618  -2.341
  395    HA   LEU  44           HA       LEU  44 -24.414  -7.065   0.162
  396    HB2  LEU  44           HB2      LEU  44 -21.561  -7.982  -0.435
  397    HB3  LEU  44           HB3      LEU  44 -22.297  -8.003   1.157
  398    HG   LEU  44           HG       LEU  44 -23.205  -9.678  -1.228
  399   HD11  LEU  44          HD11      LEU  44 -22.324 -11.548   0.131
  400   HD12  LEU  44          HD12      LEU  44 -21.046 -10.385  -0.276
  401   HD13  LEU  44          HD13      LEU  44 -21.751 -10.395   1.355
  402   HD21  LEU  44          HD21      LEU  44 -24.593 -10.878   0.452
  403   HD22  LEU  44          HD22      LEU  44 -24.165  -9.658   1.670
  404   HD23  LEU  44          HD23      LEU  44 -25.126  -9.211   0.238
  405    HA   PRO  45           HA       PRO  45 -22.407  -3.120   1.187
  406    HB2  PRO  45           HB2      PRO  45 -22.463  -3.100   3.901
  407    HB3  PRO  45           HB3      PRO  45 -23.964  -2.996   2.928
  408    HG2  PRO  45           HG2      PRO  45 -22.749  -5.482   4.192
  409    HG3  PRO  45           HG3      PRO  45 -24.432  -4.886   4.327
  410    HD2  PRO  45           HD2      PRO  45 -23.696  -6.781   2.507
  411    HD3  PRO  45           HD3      PRO  45 -24.945  -5.554   2.129
  412    H    VAL  46           H        VAL  46 -20.384  -2.316   2.145
  413    HA   VAL  46           HA       VAL  46 -18.550  -4.328   3.263
  414    HB   VAL  46           HB       VAL  46 -17.905  -4.122   0.917
  415   HG11  VAL  46          HG11      VAL  46 -16.768  -2.177   0.065
  416   HG12  VAL  46          HG12      VAL  46 -18.392  -1.699   0.571
  417   HG13  VAL  46          HG13      VAL  46 -16.990  -1.317   1.594
  418   HG21  VAL  46          HG21      VAL  46 -15.513  -3.890   1.307
  419   HG22  VAL  46          HG22      VAL  46 -15.798  -3.025   2.831
  420   HG23  VAL  46          HG23      VAL  46 -16.237  -4.737   2.682
  421    H    LEU  47           H        LEU  47 -17.342  -3.777   4.910
  422    HA   LEU  47           HA       LEU  47 -17.953  -1.140   6.178
  423    HB2  LEU  47           HB2      LEU  47 -18.091  -3.918   7.440
  424    HB3  LEU  47           HB3      LEU  47 -18.276  -2.390   8.283
  425    HG   LEU  47           HG       LEU  47 -20.218  -2.017   6.432
  426   HD11  LEU  47          HD11      LEU  47 -20.224  -5.033   6.968
  427   HD12  LEU  47          HD12      LEU  47 -21.520  -4.103   6.182
  428   HD13  LEU  47          HD13      LEU  47 -19.959  -4.280   5.385
  429   HD21  LEU  47          HD21      LEU  47 -21.809  -2.787   8.153
  430   HD22  LEU  47          HD22      LEU  47 -20.480  -3.612   9.012
  431   HD23  LEU  47          HD23      LEU  47 -20.496  -1.842   8.859
  432    H    ASP  48           H        ASP  48 -16.641  -1.168   8.406
  433    HA   ASP  48           HA       ASP  48 -14.030  -0.602   7.521
  434    HB2  ASP  48           HB2      ASP  48 -13.610   0.137   9.901
  435    HB3  ASP  48           HB3      ASP  48 -14.887   0.910   8.974
  436    H    LYS  49           H        LYS  49 -14.891  -3.660   8.236
  437    HA   LYS  49           HA       LYS  49 -12.250  -4.495   9.330
  438    HB2  LYS  49           HB2      LYS  49 -14.812  -5.986   8.655
  439    HB3  LYS  49           HB3      LYS  49 -13.295  -6.848   8.820
  440    HG2  LYS  49           HG2      LYS  49 -14.339  -7.031  10.867
  441    HG3  LYS  49           HG3      LYS  49 -12.953  -5.989  11.084
  442    HD2  LYS  49           HD2      LYS  49 -15.559  -4.571  10.583
  443    HD3  LYS  49           HD3      LYS  49 -15.472  -5.519  12.068
  444    HE2  LYS  49           HE2      LYS  49 -13.368  -4.382  12.711
  445    HE3  LYS  49           HE3      LYS  49 -13.489  -3.346  11.279
  446    HZ1  LYS  49           HZ1      LYS  49 -14.408  -2.290  13.296
  447    HZ2  LYS  49           HZ2      LYS  49 -15.556  -2.454  12.133
  448    HZ3  LYS  49           HZ3      LYS  49 -15.538  -3.466  13.446
  449    H    THR  50           H        THR  50 -12.137  -2.976   6.935
  450    HA   THR  50           HA       THR  50 -12.068  -4.578   4.619
  451    HB   THR  50           HB       THR  50 -10.582  -2.033   4.490
  452    HG1  THR  50           HG1      THR  50 -13.373  -2.041   5.040
  453   HG21  THR  50          HG21      THR  50 -12.110  -1.596   2.619
  454   HG22  THR  50          HG22      THR  50 -11.320  -3.173   2.425
  455   HG23  THR  50          HG23      THR  50 -13.006  -3.089   2.974
  456    H    LYS  51           H        LYS  51  -9.930  -5.104   6.832
  457    HA   LYS  51           HA       LYS  51  -7.886  -6.389   5.241
  458    HB2  LYS  51           HB2      LYS  51  -7.186  -3.970   5.094
  459    HB3  LYS  51           HB3      LYS  51  -7.195  -3.868   6.847
  460    HG2  LYS  51           HG2      LYS  51  -5.337  -5.559   6.924
  461    HG3  LYS  51           HG3      LYS  51  -5.351  -5.614   5.147
  462    HD2  LYS  51           HD2      LYS  51  -4.839  -3.170   5.094
  463    HD3  LYS  51           HD3      LYS  51  -4.831  -3.141   6.872
  464    HE2  LYS  51           HE2      LYS  51  -2.982  -4.875   6.827
  465    HE3  LYS  51           HE3      LYS  51  -2.959  -4.735   5.059
  466    HZ1  LYS  51           HZ1      LYS  51  -2.376  -2.346   5.352
  467    HZ2  LYS  51           HZ2      LYS  51  -2.349  -2.534   6.997
  468    HZ3  LYS  51           HZ3      LYS  51  -1.265  -3.312   6.080
  469    H    PHE  52           H        PHE  52  -6.529  -7.739   6.779
  470    HA   PHE  52           HA       PHE  52  -6.790  -7.180   9.579
  471    HB2  PHE  52           HB2      PHE  52  -7.651  -9.442  10.300
  472    HB3  PHE  52           HB3      PHE  52  -8.789  -8.262   9.722
  473    HD1  PHE  52           HD1      PHE  52 -10.329  -8.791   7.993
  474    HD2  PHE  52           HD2      PHE  52  -6.883 -11.268   8.687
  475    HE1  PHE  52           HE1      PHE  52 -11.264 -10.537   6.499
  476    HE2  PHE  52           HE2      PHE  52  -7.815 -13.007   7.196
  477    HZ   PHE  52           HZ       PHE  52 -10.007 -12.632   6.058
  478    H    LEU  53           H        LEU  53  -5.622  -8.553  11.105
  479    HA   LEU  53           HA       LEU  53  -3.351 -10.043   9.872
  480    HB2  LEU  53           HB2      LEU  53  -3.397  -8.630  12.566
  481    HB3  LEU  53           HB3      LEU  53  -2.057  -9.550  11.902
  482    HG   LEU  53           HG       LEU  53  -3.114  -6.914  10.790
  483   HD11  LEU  53          HD11      LEU  53  -0.922  -6.069  11.673
  484   HD12  LEU  53          HD12      LEU  53  -2.023  -6.637  12.936
  485   HD13  LEU  53          HD13      LEU  53  -0.651  -7.640  12.454
  486   HD21  LEU  53          HD21      LEU  53  -2.166  -8.184   8.977
  487   HD22  LEU  53          HD22      LEU  53  -1.004  -6.940   9.447
  488   HD23  LEU  53          HD23      LEU  53  -0.742  -8.627   9.957
  489    H    VAL  54           H        VAL  54  -3.079 -12.149  10.678
  490    HA   VAL  54           HA       VAL  54  -5.018 -12.998  12.798
  491    HB   VAL  54           HB       VAL  54  -4.386 -14.832  10.517
  492   HG11  VAL  54          HG11      VAL  54  -6.808 -14.588  12.355
  493   HG12  VAL  54          HG12      VAL  54  -6.528 -15.847  11.139
  494   HG13  VAL  54          HG13      VAL  54  -5.468 -15.742  12.560
  495   HG21  VAL  54          HG21      VAL  54  -6.499 -14.189   9.418
  496   HG22  VAL  54          HG22      VAL  54  -6.652 -12.817  10.540
  497   HG23  VAL  54          HG23      VAL  54  -5.295 -12.896   9.378
  498    HA   PRO  55           HA       PRO  55  -1.392 -15.035  14.540
  499    HB2  PRO  55           HB2      PRO  55  -2.549 -16.316  16.668
  500    HB3  PRO  55           HB3      PRO  55  -2.169 -14.569  16.656
  501    HG2  PRO  55           HG2      PRO  55  -4.822 -15.903  16.103
  502    HG3  PRO  55           HG3      PRO  55  -4.490 -14.469  17.116
  503    HD2  PRO  55           HD2      PRO  55  -5.409 -14.285  14.549
  504    HD3  PRO  55           HD3      PRO  55  -4.301 -13.064  15.252
  505    H    ASP  56           H        ASP  56  -0.489 -16.976  14.131
  506    HA   ASP  56           HA       ASP  56  -1.542 -18.508  12.110
  507    HB2  ASP  56           HB2      ASP  56   0.336 -20.105  12.539
  508    HB3  ASP  56           HB3      ASP  56   0.741 -18.407  12.309
  509    H    HIS  57           H        HIS  57  -2.160 -19.189  15.453
  510    HA   HIS  57           HA       HIS  57  -3.012 -21.910  15.205
  511    HB2  HIS  57           HB2      HIS  57  -3.957 -19.778  17.174
  512    HB3  HIS  57           HB3      HIS  57  -4.084 -21.516  17.394
  513    HD1  HIS  57           HD1      HIS  57  -1.288 -22.646  17.049
  514    HD2  HIS  57           HD2      HIS  57  -2.176 -18.925  18.843
  515    HE1  HIS  57           HE1      HIS  57   0.684 -22.103  18.615
  516    HE2  HIS  57           HE2      HIS  57   0.139 -19.831  19.694
  517    H    VAL  58           H        VAL  58  -4.661 -19.064  14.060
  518    HA   VAL  58           HA       VAL  58  -7.388 -20.056  14.392
  519    HB   VAL  58           HB       VAL  58  -6.274 -17.875  12.621
  520   HG11  VAL  58          HG11      VAL  58  -8.444 -18.581  11.705
  521   HG12  VAL  58          HG12      VAL  58  -9.176 -18.497  13.329
  522   HG13  VAL  58          HG13      VAL  58  -8.612 -17.022  12.519
  523   HG21  VAL  58          HG21      VAL  58  -6.020 -17.456  15.056
  524   HG22  VAL  58          HG22      VAL  58  -7.214 -16.361  14.345
  525   HG23  VAL  58          HG23      VAL  58  -7.749 -17.760  15.294
  526    H    ASN  59           H        ASN  59  -8.575 -21.363  13.062
  527    HA   ASN  59           HA       ASN  59  -7.378 -22.360  10.519
  528    HB2  ASN  59           HB2      ASN  59  -9.738 -23.327  12.180
  529    HB3  ASN  59           HB3      ASN  59  -9.178 -24.085  10.695
  530   HD21  ASN  59          HD21      ASN  59  -7.700 -25.816  13.719
  531   HD22  ASN  59          HD22      ASN  59  -9.346 -25.328  13.337
  532    H    MET  60           H        MET  60  -8.709 -22.464   8.553
  533    HA   MET  60           HA       MET  60  -9.851 -19.981   7.920
  534    HB2  MET  60           HB2      MET  60 -10.039 -22.693   6.591
  535    HB3  MET  60           HB3      MET  60 -10.984 -21.351   5.961
  536    HG2  MET  60           HG2      MET  60  -7.981 -21.497   6.214
  537    HG3  MET  60           HG3      MET  60  -8.943 -21.504   4.734
  538    HE1  MET  60           HE1      MET  60 -11.057 -18.924   5.876
  539    HE2  MET  60           HE2      MET  60 -10.325 -17.688   4.841
  540    HE3  MET  60           HE3      MET  60 -10.633 -19.318   4.194
  541    H    SER  61           H        SER  61 -11.767 -22.899   8.822
  542    HA   SER  61           HA       SER  61 -14.317 -21.712   8.518
  543    HB2  SER  61           HB2      SER  61 -14.003 -24.085   8.887
  544    HB3  SER  61           HB3      SER  61 -13.360 -23.793  10.513
  545    HG   SER  61           HG       SER  61 -15.608 -24.394  10.507
  546    H    GLU  62           H        GLU  62 -12.089 -21.483  11.335
  547    HA   GLU  62           HA       GLU  62 -13.942 -19.986  12.975
  548    HB2  GLU  62           HB2      GLU  62 -12.082 -21.273  13.950
  549    HB3  GLU  62           HB3      GLU  62 -10.920 -20.271  13.094
  550    HG2  GLU  62           HG2      GLU  62 -10.956 -19.565  15.360
  551    HG3  GLU  62           HG3      GLU  62 -11.647 -18.276  14.389
  552    H    LEU  63           H        LEU  63 -11.241 -18.967  10.819
  553    HA   LEU  63           HA       LEU  63 -11.501 -16.150  11.235
  554    HB2  LEU  63           HB2      LEU  63  -9.576 -17.193  10.099
  555    HB3  LEU  63           HB3      LEU  63 -10.622 -17.735   8.789
  556    HG   LEU  63           HG       LEU  63 -11.093 -15.314   8.228
  557   HD11  LEU  63          HD11      LEU  63 -10.544 -14.309  10.436
  558   HD12  LEU  63          HD12      LEU  63  -8.847 -14.806  10.242
  559   HD13  LEU  63          HD13      LEU  63  -9.574 -13.601   9.151
  560   HD21  LEU  63          HD21      LEU  63  -8.143 -16.046   8.221
  561   HD22  LEU  63          HD22      LEU  63  -9.355 -16.689   7.083
  562   HD23  LEU  63          HD23      LEU  63  -9.001 -14.961   7.092
  563    H    ILE  64           H        ILE  64 -13.105 -18.283   8.875
  564    HA   ILE  64           HA       ILE  64 -14.722 -16.340   7.535
  565    HB   ILE  64           HB       ILE  64 -14.946 -19.312   8.066
  566   HG12  ILE  64          HG12      ILE  64 -14.556 -17.801   5.470
  567   HG13  ILE  64          HG13      ILE  64 -13.224 -18.294   6.490
  568   HG21  ILE  64          HG21      ILE  64 -16.824 -19.477   6.493
  569   HG22  ILE  64          HG22      ILE  64 -17.281 -18.592   7.936
  570   HG23  ILE  64          HG23      ILE  64 -16.947 -17.701   6.431
  571   HD11  ILE  64          HD11      ILE  64 -13.401 -19.901   4.769
  572   HD12  ILE  64          HD12      ILE  64 -14.023 -20.689   6.234
  573   HD13  ILE  64          HD13      ILE  64 -15.147 -20.070   4.986
  574    H    LYS  65           H        LYS  65 -15.409 -18.212  10.520
  575    HA   LYS  65           HA       LYS  65 -18.018 -17.150  10.908
  576    HB2  LYS  65           HB2      LYS  65 -16.937 -19.219  11.927
  577    HB3  LYS  65           HB3      LYS  65 -16.134 -18.151  13.091
  578    HG2  LYS  65           HG2      LYS  65 -18.372 -17.333  13.836
  579    HG3  LYS  65           HG3      LYS  65 -19.140 -18.385  12.625
  580    HD2  LYS  65           HD2      LYS  65 -18.171 -20.378  13.746
  581    HD3  LYS  65           HD3      LYS  65 -17.408 -19.335  14.960
  582    HE2  LYS  65           HE2      LYS  65 -19.657 -18.504  15.654
  583    HE3  LYS  65           HE3      LYS  65 -20.417 -19.555  14.446
  584    HZ1  LYS  65           HZ1      LYS  65 -20.426 -20.602  16.646
  585    HZ2  LYS  65           HZ2      LYS  65 -19.489 -21.486  15.647
  586    HZ3  LYS  65           HZ3      LYS  65 -18.800 -20.513  16.768
  587    H    ILE  66           H        ILE  66 -14.888 -15.931  12.276
  588    HA   ILE  66           HA       ILE  66 -16.205 -13.768  13.674
  589    HB   ILE  66           HB       ILE  66 -14.113 -14.409  14.469
  590   HG12  ILE  66          HG12      ILE  66 -14.738 -11.955  14.594
  591   HG13  ILE  66          HG13      ILE  66 -13.104 -12.428  14.958
  592   HG21  ILE  66          HG21      ILE  66 -12.835 -13.677  11.810
  593   HG22  ILE  66          HG22      ILE  66 -11.952 -14.018  13.316
  594   HG23  ILE  66          HG23      ILE  66 -12.950 -15.266  12.581
  595   HD11  ILE  66          HD11      ILE  66 -13.028 -10.338  13.760
  596   HD12  ILE  66          HD12      ILE  66 -12.316 -11.580  12.749
  597   HD13  ILE  66          HD13      ILE  66 -13.956 -10.995  12.409
  598    H    ILE  67           H        ILE  67 -14.789 -13.856  10.357
  599    HA   ILE  67           HA       ILE  67 -15.437 -11.098   9.800
  600    HB   ILE  67           HB       ILE  67 -14.777 -13.494   8.121
  601   HG12  ILE  67          HG12      ILE  67 -13.040 -12.026   7.235
  602   HG13  ILE  67          HG13      ILE  67 -13.707 -10.636   8.083
  603   HG21  ILE  67          HG21      ILE  67 -16.601 -12.508   6.799
  604   HG22  ILE  67          HG22      ILE  67 -15.870 -10.894   6.943
  605   HG23  ILE  67          HG23      ILE  67 -15.054 -12.175   6.027
  606   HD11  ILE  67          HD11      ILE  67 -12.398 -13.056   9.371
  607   HD12  ILE  67          HD12      ILE  67 -11.678 -11.454   9.156
  608   HD13  ILE  67          HD13      ILE  67 -13.051 -11.641  10.246
  609    H    ARG  68           H        ARG  68 -17.421 -14.067   9.280
  610    HA   ARG  68           HA       ARG  68 -19.677 -12.759   8.161
  611    HB2  ARG  68           HB2      ARG  68 -19.121 -15.254   8.376
  612    HB3  ARG  68           HB3      ARG  68 -19.799 -15.202   9.992
  613    HG2  ARG  68           HG2      ARG  68 -21.248 -14.518   7.390
  614    HG3  ARG  68           HG3      ARG  68 -21.299 -16.081   8.185
  615    HD2  ARG  68           HD2      ARG  68 -22.522 -13.491   9.145
  616    HD3  ARG  68           HD3      ARG  68 -23.353 -14.931   8.592
  617    HE   ARG  68           HE       ARG  68 -22.154 -16.068  10.624
  618   HH11  ARG  68          HH11      ARG  68 -23.718 -12.922  10.651
  619   HH12  ARG  68          HH12      ARG  68 -24.042 -12.994  12.365
  620   HH21  ARG  68          HH21      ARG  68 -22.591 -16.094  12.806
  621   HH22  ARG  68          HH22      ARG  68 -23.443 -14.775  13.544
  622    H    ARG  69           H        ARG  69 -18.930 -13.333  11.625
  623    HA   ARG  69           HA       ARG  69 -21.315 -12.001  12.612
  624    HB2  ARG  69           HB2      ARG  69 -20.076 -13.714  13.861
  625    HB3  ARG  69           HB3      ARG  69 -18.674 -12.639  13.996
  626    HG2  ARG  69           HG2      ARG  69 -19.950 -11.055  15.364
  627    HG3  ARG  69           HG3      ARG  69 -21.447 -11.963  15.086
  628    HD2  ARG  69           HD2      ARG  69 -20.526 -13.899  16.293
  629    HD3  ARG  69           HD3      ARG  69 -18.992 -13.034  16.546
  630    HE   ARG  69           HE       ARG  69 -21.036 -11.377  17.562
  631   HH11  ARG  69          HH11      ARG  69 -19.761 -14.533  18.403
  632   HH12  ARG  69          HH12      ARG  69 -20.235 -14.378  20.073
  633   HH21  ARG  69          HH21      ARG  69 -21.597 -11.239  19.711
  634   HH22  ARG  69          HH22      ARG  69 -21.244 -12.556  20.783
  635    H    ARG  70           H        ARG  70 -18.038 -10.769  11.955
  636    HA   ARG  70           HA       ARG  70 -18.536  -8.102  13.049
  637    HB2  ARG  70           HB2      ARG  70 -16.365  -9.437  11.446
  638    HB3  ARG  70           HB3      ARG  70 -16.509  -7.702  11.283
  639    HG2  ARG  70           HG2      ARG  70 -14.888  -8.358  13.016
  640    HG3  ARG  70           HG3      ARG  70 -16.175  -7.319  13.629
  641    HD2  ARG  70           HD2      ARG  70 -17.273  -9.185  14.710
  642    HD3  ARG  70           HD3      ARG  70 -16.138 -10.335  13.968
  643    HE   ARG  70           HE       ARG  70 -14.580  -8.421  15.384
  644   HH11  ARG  70          HH11      ARG  70 -13.743  -8.664  17.209
  645   HH12  ARG  70          HH12      ARG  70 -14.318  -9.825  18.419
  646   HH21  ARG  70          HH21      ARG  70 -16.890 -10.907  16.341
  647   HH22  ARG  70          HH22      ARG  70 -16.106 -11.110  17.887
  648    H    LEU  71           H        LEU  71 -18.866  -9.425   9.757
  649    HA   LEU  71           HA       LEU  71 -19.821  -6.910   8.615
  650    HB2  LEU  71           HB2      LEU  71 -20.164  -9.815   7.747
  651    HB3  LEU  71           HB3      LEU  71 -20.690  -8.430   6.790
  652    HG   LEU  71           HG       LEU  71 -17.775  -8.944   7.558
  653   HD11  LEU  71          HD11      LEU  71 -17.508  -9.676   5.218
  654   HD12  LEU  71          HD12      LEU  71 -18.659 -10.713   6.079
  655   HD13  LEU  71          HD13      LEU  71 -19.252  -9.481   4.942
  656   HD21  LEU  71          HD21      LEU  71 -19.053  -7.024   5.554
  657   HD22  LEU  71          HD22      LEU  71 -18.183  -6.582   7.052
  658   HD23  LEU  71          HD23      LEU  71 -17.315  -7.337   5.712
  659    H    GLN  72           H        GLN  72 -22.008  -6.284   8.210
  660    HA   GLN  72           HA       GLN  72 -23.905  -7.155  10.225
  661    HB2  GLN  72           HB2      GLN  72 -24.025  -5.003   8.099
  662    HB3  GLN  72           HB3      GLN  72 -25.342  -5.357   9.234
  663    HG2  GLN  72           HG2      GLN  72 -23.850  -4.952  11.160
  664    HG3  GLN  72           HG3      GLN  72 -22.519  -4.562  10.074
  665   HE21  GLN  72          HE21      GLN  72 -23.939  -1.314  11.121
  666   HE22  GLN  72          HE22      GLN  72 -23.058  -2.634  11.869
  667    H    LEU  73           H        LEU  73 -23.585  -9.383   9.066
  668    HA   LEU  73           HA       LEU  73 -25.902  -9.873   7.222
  669    HB2  LEU  73           HB2      LEU  73 -23.132 -11.134   7.157
  670    HB3  LEU  73           HB3      LEU  73 -24.492 -11.613   6.143
  671    HG   LEU  73           HG       LEU  73 -23.181  -8.848   6.081
  672   HD11  LEU  73          HD11      LEU  73 -22.890 -11.168   4.143
  673   HD12  LEU  73          HD12      LEU  73 -22.148  -9.558   3.995
  674   HD13  LEU  73          HD13      LEU  73 -21.654 -10.641   5.306
  675   HD21  LEU  73          HD21      LEU  73 -25.181 -10.170   4.185
  676   HD22  LEU  73          HD22      LEU  73 -25.522  -8.803   5.273
  677   HD23  LEU  73          HD23      LEU  73 -24.389  -8.597   3.940
  678    H    ASN  74           H        ASN  74 -27.384 -10.846   8.442
  679    HA   ASN  74           HA       ASN  74 -26.797 -12.723  10.590
  680    HB2  ASN  74           HB2      ASN  74 -28.857 -11.244  10.362
  681    HB3  ASN  74           HB3      ASN  74 -29.390 -12.267   9.026
  682   HD21  ASN  74          HD21      ASN  74 -31.241 -13.688  11.778
  683   HD22  ASN  74          HD22      ASN  74 -31.319 -12.426  10.555
  684    H    ALA  75           H        ALA  75 -27.417 -15.054  10.514
  685    HA   ALA  75           HA       ALA  75 -26.073 -16.427   8.427
  686    HB1  ALA  75           HB1      ALA  75 -28.067 -17.453  10.495
  687    HB2  ALA  75           HB2      ALA  75 -26.896 -18.444   9.595
  688    HB3  ALA  75           HB3      ALA  75 -26.320 -17.228  10.749
  689    H    ASN  76           H        ASN  76 -29.431 -15.436   8.535
  690    HA   ASN  76           HA       ASN  76 -30.476 -17.199   6.513
  691    HB2  ASN  76           HB2      ASN  76 -31.841 -15.918   8.149
  692    HB3  ASN  76           HB3      ASN  76 -31.309 -14.397   7.416
  693   HD21  ASN  76          HD21      ASN  76 -34.125 -16.685   5.492
  694   HD22  ASN  76          HD22      ASN  76 -33.112 -17.426   6.720
  695    H    GLN  77           H        GLN  77 -28.403 -14.349   6.256
  696    HA   GLN  77           HA       GLN  77 -29.124 -13.685   3.507
  697    HB2  GLN  77           HB2      GLN  77 -26.692 -12.872   5.159
  698    HB3  GLN  77           HB3      GLN  77 -27.176 -12.180   3.620
  699    HG2  GLN  77           HG2      GLN  77 -28.751 -12.011   6.235
  700    HG3  GLN  77           HG3      GLN  77 -27.807 -10.719   5.496
  701   HE21  GLN  77          HE21      GLN  77 -30.272 -10.195   2.832
  702   HE22  GLN  77          HE22      GLN  77 -28.543 -10.134   3.114
  703    H    ALA  78           H        ALA  78 -28.048 -14.233   1.606
  704    HA   ALA  78           HA       ALA  78 -26.347 -16.588   1.589
  705    HB1  ALA  78           HB1      ALA  78 -27.063 -14.625  -0.627
  706    HB2  ALA  78           HB2      ALA  78 -26.273 -16.203  -0.832
  707    HB3  ALA  78           HB3      ALA  78 -27.934 -16.124  -0.225
  708    H    PHE  79           H        PHE  79 -24.275 -16.541   2.209
  709    HA   PHE  79           HA       PHE  79 -22.435 -14.503   1.237
  710    HB2  PHE  79           HB2      PHE  79 -23.044 -13.249   3.050
  711    HB3  PHE  79           HB3      PHE  79 -23.231 -14.642   4.110
  712    HD1  PHE  79           HD1      PHE  79 -21.251 -15.820   5.065
  713    HD2  PHE  79           HD2      PHE  79 -20.867 -12.169   2.807
  714    HE1  PHE  79           HE1      PHE  79 -18.919 -15.563   5.887
  715    HE2  PHE  79           HE2      PHE  79 -18.549 -11.890   3.673
  716    HZ   PHE  79           HZ       PHE  79 -17.569 -13.599   5.169
  717    H    PHE  80           H        PHE  80 -20.369 -15.010   0.989
  718    HA   PHE  80           HA       PHE  80 -19.225 -17.389   2.344
  719    HB2  PHE  80           HB2      PHE  80 -19.199 -16.953  -0.666
  720    HB3  PHE  80           HB3      PHE  80 -18.308 -18.202   0.202
  721    HD1  PHE  80           HD1      PHE  80 -21.674 -17.082  -0.869
  722    HD2  PHE  80           HD2      PHE  80 -19.365 -20.264   0.887
  723    HE1  PHE  80           HE1      PHE  80 -23.584 -18.639  -1.199
  724    HE2  PHE  80           HE2      PHE  80 -21.263 -21.831   0.533
  725    HZ   PHE  80           HZ       PHE  80 -23.371 -21.019  -0.511
  726    H    LEU  81           H        LEU  81 -17.189 -16.926   3.067
  727    HA   LEU  81           HA       LEU  81 -15.665 -14.663   1.855
  728    HB2  LEU  81           HB2      LEU  81 -15.693 -14.485   4.219
  729    HB3  LEU  81           HB3      LEU  81 -15.374 -16.188   4.439
  730    HG   LEU  81           HG       LEU  81 -13.045 -15.838   3.482
  731   HD11  LEU  81          HD11      LEU  81 -13.939 -12.920   3.635
  732   HD12  LEU  81          HD12      LEU  81 -12.246 -13.424   3.477
  733   HD13  LEU  81          HD13      LEU  81 -13.392 -13.784   2.180
  734   HD21  LEU  81          HD21      LEU  81 -13.244 -15.903   5.876
  735   HD22  LEU  81          HD22      LEU  81 -12.101 -14.648   5.432
  736   HD23  LEU  81          HD23      LEU  81 -13.746 -14.193   5.934
  737    H    LEU  82           H        LEU  82 -14.193 -15.052   0.392
  738    HA   LEU  82           HA       LEU  82 -13.548 -17.851  -0.336
  739    HB2  LEU  82           HB2      LEU  82 -13.437 -15.449  -2.173
  740    HB3  LEU  82           HB3      LEU  82 -13.579 -17.138  -2.594
  741    HG   LEU  82           HG       LEU  82 -15.771 -15.347  -1.459
  742   HD11  LEU  82          HD11      LEU  82 -15.473 -16.737  -4.154
  743   HD12  LEU  82          HD12      LEU  82 -16.821 -15.704  -3.639
  744   HD13  LEU  82          HD13      LEU  82 -15.208 -15.004  -3.854
  745   HD21  LEU  82          HD21      LEU  82 -17.273 -17.272  -1.906
  746   HD22  LEU  82          HD22      LEU  82 -15.867 -18.281  -2.251
  747   HD23  LEU  82          HD23      LEU  82 -16.116 -17.639  -0.615
  748    H    VAL  83           H        VAL  83 -11.429 -18.468  -0.532
  749    HA   VAL  83           HA       VAL  83  -9.315 -16.384  -0.159
  750    HB   VAL  83           HB       VAL  83  -8.887 -19.365  -0.052
  751   HG11  VAL  83          HG11      VAL  83  -6.774 -18.679   1.018
  752   HG12  VAL  83          HG12      VAL  83  -6.900 -17.986  -0.598
  753   HG13  VAL  83          HG13      VAL  83  -7.217 -16.970   0.819
  754   HG21  VAL  83          HG21      VAL  83  -9.419 -17.353   2.176
  755   HG22  VAL  83          HG22      VAL  83 -10.339 -18.826   1.810
  756   HG23  VAL  83          HG23      VAL  83  -8.692 -18.960   2.439
  757    H    ASN  84           H        ASN  84  -8.134 -15.717  -1.841
  758    HA   ASN  84           HA       ASN  84  -7.889 -15.210  -4.069
  759    HB2  ASN  84           HB2      ASN  84  -6.142 -16.916  -3.325
  760    HB3  ASN  84           HB3      ASN  84  -7.044 -18.125  -4.231
  761   HD21  ASN  84          HD21      ASN  84  -4.357 -16.914  -6.440
  762   HD22  ASN  84          HD22      ASN  84  -4.517 -17.814  -4.919
  763    H    GLY  85           H        GLY  85 -10.556 -15.573  -3.659
  764    HA2  GLY  85           HA2      GLY  85 -12.425 -15.484  -4.995
  765    HA3  GLY  85           HA3      GLY  85 -11.496 -16.127  -6.340
  766    H    HIS  86           H        HIS  86 -11.195 -18.438  -3.859
  767    HA   HIS  86           HA       HIS  86 -13.733 -19.839  -4.674
  768    HB2  HIS  86           HB2      HIS  86 -11.603 -20.832  -5.557
  769    HB3  HIS  86           HB3      HIS  86 -11.082 -21.127  -3.902
  770    HD1  HIS  86           HD1      HIS  86 -12.725 -23.021  -2.501
  771    HD2  HIS  86           HD2      HIS  86 -13.157 -22.584  -6.697
  772    HE1  HIS  86           HE1      HIS  86 -13.945 -25.118  -3.345
  773    HE2  HIS  86           HE2      HIS  86 -14.216 -24.846  -5.891
  774    H    SER  87           H        SER  87 -15.011 -20.785  -3.119
  775    HA   SER  87           HA       SER  87 -14.953 -19.810  -0.447
  776    HB2  SER  87           HB2      SER  87 -16.991 -20.557  -1.532
  777    HB3  SER  87           HB3      SER  87 -16.369 -22.223  -1.613
  778    HG   SER  87           HG       SER  87 -17.678 -22.065   0.200
  779    H    MET  88           H        MET  88 -14.544 -20.742   1.545
  780    HA   MET  88           HA       MET  88 -13.086 -23.322   1.688
  781    HB2  MET  88           HB2      MET  88 -11.966 -20.663   2.659
  782    HB3  MET  88           HB3      MET  88 -11.398 -22.213   3.265
  783    HG2  MET  88           HG2      MET  88 -11.062 -22.860   0.771
  784    HG3  MET  88           HG3      MET  88 -11.111 -21.117   0.482
  785    HE1  MET  88           HE1      MET  88  -7.295 -22.279   0.258
  786    HE2  MET  88           HE2      MET  88  -8.680 -23.341  -0.083
  787    HE3  MET  88           HE3      MET  88  -8.687 -21.654  -0.652
  788    H    VAL  89           H        VAL  89 -15.841 -22.439   2.568
  789    HA   VAL  89           HA       VAL  89 -15.893 -22.101   5.405
  790    HB   VAL  89           HB       VAL  89 -18.052 -23.374   3.705
  791   HG11  VAL  89          HG11      VAL  89 -18.523 -23.648   6.099
  792   HG12  VAL  89          HG12      VAL  89 -18.167 -21.928   6.397
  793   HG13  VAL  89          HG13      VAL  89 -19.578 -22.407   5.430
  794   HG21  VAL  89          HG21      VAL  89 -19.013 -21.102   3.543
  795   HG22  VAL  89          HG22      VAL  89 -17.606 -20.433   4.392
  796   HG23  VAL  89          HG23      VAL  89 -17.428 -21.147   2.779
  797    H    SER  90           H        SER  90 -15.706 -25.114   3.547
  798    HA   SER  90           HA       SER  90 -15.984 -26.826   5.908
  799    HB2  SER  90           HB2      SER  90 -15.538 -28.633   4.276
  800    HB3  SER  90           HB3      SER  90 -16.833 -27.543   3.755
  801    HG   SER  90           HG       SER  90 -15.326 -27.983   2.055
  802    H    VAL  91           H        VAL  91 -13.355 -24.948   4.926
  803    HA   VAL  91           HA       VAL  91 -11.289 -27.011   5.040
  804    HB   VAL  91           HB       VAL  91 -11.103 -24.007   4.705
  805   HG11  VAL  91          HG11      VAL  91  -8.954 -26.128   4.401
  806   HG12  VAL  91          HG12      VAL  91  -8.814 -24.444   3.857
  807   HG13  VAL  91          HG13      VAL  91  -8.977 -24.781   5.578
  808   HG21  VAL  91          HG21      VAL  91 -12.218 -25.190   2.813
  809   HG22  VAL  91          HG22      VAL  91 -10.616 -24.617   2.338
  810   HG23  VAL  91          HG23      VAL  91 -10.858 -26.323   2.727
  811    H    SER  92           H        SER  92 -10.348 -27.765   6.751
  812    HA   SER  92           HA       SER  92 -10.417 -26.455   9.372
  813    HB2  SER  92           HB2      SER  92  -9.389 -28.578  10.117
  814    HB3  SER  92           HB3      SER  92 -10.864 -28.845   9.166
  815    HG   SER  92           HG       SER  92  -9.130 -30.233   8.509
  816    H    THR  93           H        THR  93  -8.166 -26.493   6.745
  817    HA   THR  93           HA       THR  93  -5.723 -26.530   7.868
  818    HB   THR  93           HB       THR  93  -6.356 -24.579   5.672
  819    HG1  THR  93           HG1      THR  93  -6.209 -26.430   4.303
  820   HG21  THR  93          HG21      THR  93  -4.236 -25.355   4.705
  821   HG22  THR  93          HG22      THR  93  -3.988 -24.665   6.306
  822   HG23  THR  93          HG23      THR  93  -3.978 -26.435   6.091
  823    HA   PRO  94           HA       PRO  94  -5.199 -22.852  10.402
  824    HB2  PRO  94           HB2      PRO  94  -2.481 -22.850  10.750
  825    HB3  PRO  94           HB3      PRO  94  -3.581 -23.992  11.582
  826    HG2  PRO  94           HG2      PRO  94  -2.001 -24.457   9.033
  827    HG3  PRO  94           HG3      PRO  94  -2.088 -25.506  10.487
  828    HD2  PRO  94           HD2      PRO  94  -3.626 -25.998   8.330
  829    HD3  PRO  94           HD3      PRO  94  -4.299 -26.189   9.976
  830    H    ILE  95           H        ILE  95  -4.695 -20.728  10.129
  831    HA   ILE  95           HA       ILE  95  -4.706 -19.785   7.493
  832    HB   ILE  95           HB       ILE  95  -5.717 -18.690   9.465
  833   HG12  ILE  95          HG12      ILE  95  -5.259 -16.359   8.962
  834   HG13  ILE  95          HG13      ILE  95  -3.795 -16.776   8.075
  835   HG21  ILE  95          HG21      ILE  95  -3.830 -18.988  11.091
  836   HG22  ILE  95          HG22      ILE  95  -2.897 -17.764  10.207
  837   HG23  ILE  95          HG23      ILE  95  -4.401 -17.329  11.022
  838   HD11  ILE  95          HD11      ILE  95  -6.601 -17.713   7.313
  839   HD12  ILE  95          HD12      ILE  95  -5.801 -16.275   6.653
  840   HD13  ILE  95          HD13      ILE  95  -5.120 -17.877   6.341
  841    H    SER  96           H        SER  96  -1.861 -20.406   9.461
  842    HA   SER  96           HA       SER  96   0.038 -18.812   7.980
  843    HB2  SER  96           HB2      SER  96   1.677 -20.396   9.049
  844    HB3  SER  96           HB3      SER  96   0.589 -19.568  10.178
  845    HG   SER  96           HG       SER  96   0.819 -21.912  10.516
  846    H    GLU  97           H        GLU  97  -1.039 -22.227   7.656
  847    HA   GLU  97           HA       GLU  97   0.733 -22.811   5.444
  848    HB2  GLU  97           HB2      GLU  97  -0.163 -24.581   6.850
  849    HB3  GLU  97           HB3      GLU  97  -1.811 -24.100   6.471
  850    HG2  GLU  97           HG2      GLU  97  -1.321 -26.093   5.264
  851    HG3  GLU  97           HG3      GLU  97  -1.511 -24.779   4.117
  852    H    VAL  98           H        VAL  98  -2.656 -21.682   5.621
  853    HA   VAL  98           HA       VAL  98  -3.062 -21.493   2.771
  854    HB   VAL  98           HB       VAL  98  -4.370 -19.810   4.933
  855   HG11  VAL  98          HG11      VAL  98  -6.247 -19.643   3.345
  856   HG12  VAL  98          HG12      VAL  98  -4.782 -18.953   2.636
  857   HG13  VAL  98          HG13      VAL  98  -5.324 -20.566   2.138
  858   HG21  VAL  98          HG21      VAL  98  -4.741 -22.178   5.477
  859   HG22  VAL  98          HG22      VAL  98  -6.217 -21.495   4.806
  860   HG23  VAL  98          HG23      VAL  98  -5.186 -22.519   3.791
  861    H    TYR  99           H        TYR  99  -1.651 -19.184   5.124
  862    HA   TYR  99           HA       TYR  99  -1.172 -17.116   3.268
  863    HB2  TYR  99           HB2      TYR  99  -0.898 -16.371   5.302
  864    HB3  TYR  99           HB3      TYR  99  -0.086 -17.791   5.920
  865    HD1  TYR  99           HD1      TYR  99   2.324 -18.067   5.736
  866    HD2  TYR  99           HD2      TYR  99   0.372 -14.510   4.253
  867    HE1  TYR  99           HE1      TYR  99   4.520 -16.902   5.648
  868    HE2  TYR  99           HE2      TYR  99   2.572 -13.345   4.198
  869    HH   TYR  99           HH       TYR  99   5.643 -14.985   4.996
  870    H    GLU 100           H        GLU 100   1.066 -19.807   4.009
  871    HA   GLU 100           HA       GLU 100   3.013 -18.960   2.141
  872    HB2  GLU 100           HB2      GLU 100   2.331 -21.672   3.318
  873    HB3  GLU 100           HB3      GLU 100   3.638 -21.495   2.153
  874    HG2  GLU 100           HG2      GLU 100   3.470 -19.976   4.783
  875    HG3  GLU 100           HG3      GLU 100   4.385 -21.454   4.522
  876    H    SER 101           H        SER 101   0.109 -20.975   1.516
  877    HA   SER 101           HA       SER 101   0.943 -21.517  -1.227
  878    HB2  SER 101           HB2      SER 101  -1.152 -22.717  -1.412
  879    HB3  SER 101           HB3      SER 101  -0.276 -23.182   0.054
  880    HG   SER 101           HG       SER 101  -2.536 -22.835   0.386
  881    H    GLU 102           H        GLU 102  -0.808 -18.901   0.234
  882    HA   GLU 102           HA       GLU 102  -1.752 -17.957  -2.455
  883    HB2  GLU 102           HB2      GLU 102  -3.136 -17.594   0.216
  884    HB3  GLU 102           HB3      GLU 102  -3.713 -17.006  -1.334
  885    HG2  GLU 102           HG2      GLU 102  -3.392 -19.941  -0.586
  886    HG3  GLU 102           HG3      GLU 102  -4.885 -19.038  -0.586
  887    H    LYS 103           H        LYS 103   0.809 -17.293  -1.256
  888    HA   LYS 103           HA       LYS 103   0.808 -14.533  -0.424
  889    HB2  LYS 103           HB2      LYS 103   2.980 -16.121  -1.858
  890    HB3  LYS 103           HB3      LYS 103   3.184 -14.539  -1.108
  891    HG2  LYS 103           HG2      LYS 103   2.477 -15.588   1.100
  892    HG3  LYS 103           HG3      LYS 103   2.586 -17.161   0.292
  893    HD2  LYS 103           HD2      LYS 103   4.859 -15.164   0.595
  894    HD3  LYS 103           HD3      LYS 103   4.619 -16.569   1.618
  895    HE2  LYS 103           HE2      LYS 103   5.104 -16.712  -1.397
  896    HE3  LYS 103           HE3      LYS 103   6.372 -16.817  -0.182
  897    HZ1  LYS 103           HZ1      LYS 103   5.302 -18.808   0.730
  898    HZ2  LYS 103           HZ2      LYS 103   4.123 -18.773  -0.417
  899    HZ3  LYS 103           HZ3      LYS 103   5.680 -19.027  -0.846
  900    H    ASP 104           H        ASP 104   0.163 -12.841  -1.548
  901    HA   ASP 104           HA       ASP 104   0.195 -12.635  -4.467
  902    HB2  ASP 104           HB2      ASP 104  -1.497 -11.578  -3.012
  903    HB3  ASP 104           HB3      ASP 104  -0.239 -10.577  -2.268
  904    H    GLU 105           H        GLU 105   1.319 -10.430  -5.291
  905    HA   GLU 105           HA       GLU 105   3.997 -11.056  -5.593
  906    HB2  GLU 105           HB2      GLU 105   2.622  -8.365  -5.939
  907    HB3  GLU 105           HB3      GLU 105   4.214  -8.737  -6.578
  908    HG2  GLU 105           HG2      GLU 105   1.637 -10.178  -7.343
  909    HG3  GLU 105           HG3      GLU 105   2.412  -8.904  -8.269
  910    H    ASP 106           H        ASP 106   2.781  -9.051  -2.955
  911    HA   ASP 106           HA       ASP 106   5.557  -8.375  -2.110
  912    HB2  ASP 106           HB2      ASP 106   4.483  -6.810  -0.541
  913    HB3  ASP 106           HB3      ASP 106   4.158  -6.464  -2.234
  914    H    GLY 107           H        GLY 107   3.284 -10.762  -1.549
  915    HA2  GLY 107           HA2      GLY 107   3.707 -12.543   0.009
  916    HA3  GLY 107           HA3      GLY 107   4.333 -11.396   1.178
  917    H    PHE 108           H        PHE 108   1.560  -9.814   0.160
  918    HA   PHE 108           HA       PHE 108   0.027 -10.618   2.430
  919    HB2  PHE 108           HB2      PHE 108  -0.496  -8.867   0.099
  920    HB3  PHE 108           HB3      PHE 108  -1.892  -9.546   0.889
  921    HD1  PHE 108           HD1      PHE 108   0.877  -7.152   1.264
  922    HD2  PHE 108           HD2      PHE 108  -2.420  -9.105   3.231
  923    HE1  PHE 108           HE1      PHE 108   0.919  -5.430   3.065
  924    HE2  PHE 108           HE2      PHE 108  -2.372  -7.389   5.031
  925    HZ   PHE 108           HZ       PHE 108  -0.663  -5.578   4.957
  926    H    LEU 109           H        LEU 109  -1.612 -12.003   2.891
  927    HA   LEU 109           HA       LEU 109  -2.269 -14.086   0.917
  928    HB2  LEU 109           HB2      LEU 109  -1.965 -14.366   3.446
  929    HB3  LEU 109           HB3      LEU 109  -3.512 -13.568   3.629
  930    HG   LEU 109           HG       LEU 109  -2.926 -16.251   2.318
  931   HD11  LEU 109          HD11      LEU 109  -3.014 -16.123   4.824
  932   HD12  LEU 109          HD12      LEU 109  -4.639 -15.442   4.710
  933   HD13  LEU 109          HD13      LEU 109  -4.321 -17.107   4.156
  934   HD21  LEU 109          HD21      LEU 109  -5.439 -16.526   2.220
  935   HD22  LEU 109          HD22      LEU 109  -5.572 -14.756   2.394
  936   HD23  LEU 109          HD23      LEU 109  -4.742 -15.489   0.992
  937    H    TYR 110           H        TYR 110  -3.870 -13.828  -0.590
  938    HA   TYR 110           HA       TYR 110  -5.804 -11.649  -0.295
  939    HB2  TYR 110           HB2      TYR 110  -4.783 -13.161  -2.595
  940    HB3  TYR 110           HB3      TYR 110  -6.477 -12.712  -2.677
  941    HD1  TYR 110           HD1      TYR 110  -3.429 -10.895  -1.296
  942    HD2  TYR 110           HD2      TYR 110  -6.782 -10.889  -4.029
  943    HE1  TYR 110           HE1      TYR 110  -2.916  -8.561  -1.939
  944    HE2  TYR 110           HE2      TYR 110  -6.241  -8.562  -4.689
  945    HH   TYR 110           HH       TYR 110  -4.774  -6.817  -4.482
  946    H    MET 111           H        MET 111  -7.778 -11.638   0.349
  947    HA   MET 111           HA       MET 111  -9.477 -13.990  -0.252
  948    HB2  MET 111           HB2      MET 111  -9.685 -12.402   2.340
  949    HB3  MET 111           HB3      MET 111 -10.659 -13.787   1.826
  950    HG2  MET 111           HG2      MET 111  -8.492 -15.132   1.778
  951    HG3  MET 111           HG3      MET 111  -7.743 -13.770   2.620
  952    HE1  MET 111           HE1      MET 111  -7.917 -16.521   5.322
  953    HE2  MET 111           HE2      MET 111  -7.632 -16.723   3.584
  954    HE3  MET 111           HE3      MET 111  -6.897 -15.361   4.457
  955    H    VAL 112           H        VAL 112 -11.582 -13.547  -0.817
  956    HA   VAL 112           HA       VAL 112 -12.497 -10.766  -0.768
  957    HB   VAL 112           HB       VAL 112 -13.405 -10.697  -2.968
  958   HG11  VAL 112          HG11      VAL 112 -10.541 -11.702  -3.268
  959   HG12  VAL 112          HG12      VAL 112 -11.434 -10.644  -4.375
  960   HG13  VAL 112          HG13      VAL 112 -10.997 -10.058  -2.763
  961   HG21  VAL 112          HG21      VAL 112 -12.335 -13.509  -3.394
  962   HG22  VAL 112          HG22      VAL 112 -14.046 -13.017  -3.317
  963   HG23  VAL 112          HG23      VAL 112 -13.031 -12.471  -4.657
  964    H    TYR 113           H        TYR 113 -14.965 -10.616  -0.809
  965    HA   TYR 113           HA       TYR 113 -16.184 -13.311  -0.235
  966    HB2  TYR 113           HB2      TYR 113 -17.367 -12.540   1.653
  967    HB3  TYR 113           HB3      TYR 113 -15.681 -12.151   1.909
  968    HD1  TYR 113           HD1      TYR 113 -14.902  -9.790   1.882
  969    HD2  TYR 113           HD2      TYR 113 -19.058 -10.827   1.347
  970    HE1  TYR 113           HE1      TYR 113 -15.574  -7.456   2.477
  971    HE2  TYR 113           HE2      TYR 113 -19.714  -8.494   1.925
  972    HH   TYR 113           HH       TYR 113 -18.981  -6.407   2.487
  973    H    ALA 114           H        ALA 114 -18.399 -13.498  -0.576
  974    HA   ALA 114           HA       ALA 114 -19.747 -11.526  -2.327
  975    HB1  ALA 114           HB1      ALA 114 -19.727 -13.048  -4.228
  976    HB2  ALA 114           HB2      ALA 114 -18.054 -12.760  -3.739
  977    HB3  ALA 114           HB3      ALA 114 -18.846 -14.279  -3.296
  978    H    SER 115           H        SER 115 -21.885 -12.520  -3.153
  979    HA   SER 115           HA       SER 115 -23.205 -14.007  -0.982
  980    HB2  SER 115           HB2      SER 115 -25.249 -13.634  -2.160
  981    HB3  SER 115           HB3      SER 115 -24.317 -12.121  -2.168
  982    HG   SER 115           HG       SER 115 -24.187 -12.201  -4.218
  983    H    GLN 116           H        GLN 116 -21.230 -15.083  -3.391
  984    HA   GLN 116           HA       GLN 116 -22.471 -17.766  -3.512
  985    HB2  GLN 116           HB2      GLN 116 -22.410 -17.926  -5.838
  986    HB3  GLN 116           HB3      GLN 116 -23.209 -16.398  -5.508
  987    HG2  GLN 116           HG2      GLN 116 -20.321 -16.764  -6.379
  988    HG3  GLN 116           HG3      GLN 116 -21.663 -16.351  -7.440
  989   HE21  GLN 116          HE21      GLN 116 -21.748 -13.013  -5.496
  990   HE22  GLN 116          HE22      GLN 116 -22.896 -14.340  -5.546
  991    H    GLU 117           H        GLU 117 -20.968 -19.453  -4.278
  992    HA   GLU 117           HA       GLU 117 -18.597 -19.263  -2.694
  993    HB2  GLU 117           HB2      GLU 117 -18.280 -21.632  -3.295
  994    HB3  GLU 117           HB3      GLU 117 -19.896 -21.251  -2.684
  995    HG2  GLU 117           HG2      GLU 117 -20.797 -21.292  -4.983
  996    HG3  GLU 117           HG3      GLU 117 -19.190 -21.578  -5.631
  997    H    THR 118           H        THR 118 -18.812 -18.669  -6.121
  998    HA   THR 118           HA       THR 118 -15.977 -18.193  -6.154
  999    HB   THR 118           HB       THR 118 -15.179 -19.440  -7.833
 1000    HG1  THR 118           HG1      THR 118 -16.516 -20.525  -9.370
 1001   HG21  THR 118          HG21      THR 118 -17.256 -21.404  -6.809
 1002   HG22  THR 118          HG22      THR 118 -15.772 -21.800  -7.691
 1003   HG23  THR 118          HG23      THR 118 -15.663 -21.095  -6.079
 1004    H    PHE 119           H        PHE 119 -15.208 -17.121  -8.220
 1005    HA   PHE 119           HA       PHE 119 -16.881 -14.906  -8.858
 1006    HB2  PHE 119           HB2      PHE 119 -15.113 -14.490 -10.670
 1007    HB3  PHE 119           HB3      PHE 119 -14.679 -14.402  -8.977
 1008    HD1  PHE 119           HD1      PHE 119 -14.265 -16.342 -12.087
 1009    HD2  PHE 119           HD2      PHE 119 -13.294 -16.124  -7.898
 1010    HE1  PHE 119           HE1      PHE 119 -12.470 -18.038 -12.418
 1011    HE2  PHE 119           HE2      PHE 119 -11.495 -17.823  -8.227
 1012    HZ   PHE 119           HZ       PHE 119 -11.082 -18.773 -10.488
 1013    H    GLY 120           H        GLY 120 -17.118 -18.014 -10.175
 1014    HA2  GLY 120           HA2      GLY 120 -18.474 -18.913 -11.803
 1015    HA3  GLY 120           HA3      GLY 120 -19.294 -17.355 -11.911
 1016    H1   ASP  10           H1       ASP  10  -9.355  -4.432  21.288
 1017    H2   ASP  10           H2       ASP  10 -10.488  -3.709  20.348
 1018    H3   ASP  10           H3       ASP  10  -9.757  -5.080  19.827
 1019    HA   ASP  10           HA       ASP  10  -8.461  -2.485  20.260
 1020    HB2  ASP  10           HB2      ASP  10  -7.226  -5.110  19.470
 1021    HB3  ASP  10           HB3      ASP  10  -6.472  -3.576  19.045
 1022    H    TYR  11           H        TYR  11  -7.312  -1.642  18.227
 1023    HA   TYR  11           HA       TYR  11  -9.494  -0.982  16.545
 1024    HB2  TYR  11           HB2      TYR  11  -7.690   0.495  15.386
 1025    HB3  TYR  11           HB3      TYR  11  -8.397   0.861  16.947
 1026    HD1  TYR  11           HD1      TYR  11  -5.289  -0.383  15.266
 1027    HD2  TYR  11           HD2      TYR  11  -7.149   0.848  18.978
 1028    HE1  TYR  11           HE1      TYR  11  -3.056  -0.255  16.384
 1029    HE2  TYR  11           HE2      TYR  11  -4.919   0.917  20.075
 1030    HH   TYR  11           HH       TYR  11  -2.656   0.634  19.815
 1031    H    GLU  12           H        GLU  12  -9.961  -0.977  14.473
 1032    HA   GLU  12           HA       GLU  12  -8.924  -3.234  12.878
 1033    HB2  GLU  12           HB2      GLU  12 -10.886  -2.876  11.478
 1034    HB3  GLU  12           HB3      GLU  12 -11.321  -3.111  13.170
 1035    HG2  GLU  12           HG2      GLU  12 -11.067  -0.310  11.976
 1036    HG3  GLU  12           HG3      GLU  12 -12.513  -1.278  11.722
 1037    H    SER  13           H        SER  13  -8.143  -0.010  13.043
 1038    HA   SER  13           HA       SER  13  -6.270  -0.325  10.918
 1039    HB2  SER  13           HB2      SER  13  -8.658   1.421  10.340
 1040    HB3  SER  13           HB3      SER  13  -7.061   1.854   9.694
 1041    HG   SER  13           HG       SER  13  -8.152  -0.742   9.439
 1042    H    ASP  14           H        ASP  14  -4.575   0.804  11.261
 1043    HA   ASP  14           HA       ASP  14  -4.406   3.493  12.297
 1044    HB2  ASP  14           HB2      ASP  14  -4.701   1.963  14.393
 1045    HB3  ASP  14           HB3      ASP  14  -3.114   1.303  14.002
 1046    H    ASP  15           H        ASP  15  -1.635   3.357  12.930
 1047    HA   ASP  15           HA       ASP  15  -0.283   1.843  10.791
 1048    HB2  ASP  15           HB2      ASP  15  -0.100   4.808  11.182
 1049    HB3  ASP  15           HB3      ASP  15   1.270   3.905  10.542
 1050    H    ASP  16           H        ASP  16   2.050   1.709  10.925
 1051    HA   ASP  16           HA       ASP  16   3.812   0.775  11.818
 1052    HB2  ASP  16           HB2      ASP  16   3.304   2.689  14.075
 1053    HB3  ASP  16           HB3      ASP  16   4.665   1.581  14.060
 1054    H    SER  17           H        SER  17   1.250   0.437  14.250
 1055    HA   SER  17           HA       SER  17   1.597  -2.433  14.109
 1056    HB2  SER  17           HB2      SER  17   3.353  -1.841  15.818
 1057    HB3  SER  17           HB3      SER  17   2.054  -1.198  16.850
 1058    HG   SER  17           HG       SER  17   2.371  -3.341  17.412
 1059    H    TYR  18           H        TYR  18  -0.092  -3.610  15.041
 1060    HA   TYR  18           HA       TYR  18  -2.434  -2.546  16.218
 1061    HB2  TYR  18           HB2      TYR  18  -3.913  -2.695  14.102
 1062    HB3  TYR  18           HB3      TYR  18  -2.964  -1.281  14.412
 1063    HD1  TYR  18           HD1      TYR  18  -1.053  -4.127  12.951
 1064    HD2  TYR  18           HD2      TYR  18  -3.490  -0.666  12.175
 1065    HE1  TYR  18           HE1      TYR  18  -0.247  -4.090  10.604
 1066    HE2  TYR  18           HE2      TYR  18  -2.745  -0.694   9.777
 1067    HH   TYR  18           HH       TYR  18  -0.178  -2.850   8.636
 1068    H    GLU  19           H        GLU  19  -4.415  -3.962  16.081
 1069    HA   GLU  19           HA       GLU  19  -3.681  -6.841  15.677
 1070    HB2  GLU  19           HB2      GLU  19  -6.067  -5.562  17.047
 1071    HB3  GLU  19           HB3      GLU  19  -5.836  -7.295  16.836
 1072    HG2  GLU  19           HG2      GLU  19  -4.023  -5.427  18.418
 1073    HG3  GLU  19           HG3      GLU  19  -5.199  -6.562  19.080
 1074    H    VAL  20           H        VAL  20  -6.061  -4.429  14.507
 1075    HA   VAL  20           HA       VAL  20  -7.159  -4.238  12.635
 1076    HB   VAL  20           HB       VAL  20  -5.615  -6.311  11.178
 1077   HG11  VAL  20          HG11      VAL  20  -6.398  -3.483  10.366
 1078   HG12  VAL  20          HG12      VAL  20  -5.850  -4.803   9.322
 1079   HG13  VAL  20          HG13      VAL  20  -7.457  -4.860  10.078
 1080   HG21  VAL  20          HG21      VAL  20  -3.882  -5.110  12.418
 1081   HG22  VAL  20          HG22      VAL  20  -3.878  -4.573  10.739
 1082   HG23  VAL  20          HG23      VAL  20  -4.635  -3.559  11.977
 1083    H    LEU  21           H        LEU  21  -7.026  -7.679  13.417
 1084    HA   LEU  21           HA       LEU  21  -9.679  -8.367  12.288
 1085    HB2  LEU  21           HB2      LEU  21  -7.594  -9.830  12.572
 1086    HB3  LEU  21           HB3      LEU  21  -7.917  -9.824  14.295
 1087    HG   LEU  21           HG       LEU  21 -10.115 -11.008  13.798
 1088   HD11  LEU  21          HD11      LEU  21 -10.372 -12.069  11.594
 1089   HD12  LEU  21          HD12      LEU  21 -10.399 -10.317  11.402
 1090   HD13  LEU  21          HD13      LEU  21  -8.938 -11.253  10.988
 1091   HD21  LEU  21          HD21      LEU  21  -8.062 -12.219  14.448
 1092   HD22  LEU  21          HD22      LEU  21  -9.044 -13.158  13.308
 1093   HD23  LEU  21          HD23      LEU  21  -7.583 -12.311  12.743
 1094    H    ASP  22           H        ASP  22  -9.092  -6.254  14.489
 1095    HA   ASP  22           HA       ASP  22  -9.625  -5.428  16.386
 1096    HB2  ASP  22           HB2      ASP  22 -12.005  -5.167  16.954
 1097    HB3  ASP  22           HB3      ASP  22 -11.504  -4.712  15.327
 1098    H    LEU  23           H        LEU  23 -10.416  -8.810  16.565
 1099    HA   LEU  23           HA       LEU  23 -10.503  -8.931  19.440
 1100    HB2  LEU  23           HB2      LEU  23 -10.478 -11.268  19.194
 1101    HB3  LEU  23           HB3      LEU  23 -11.383 -10.639  17.845
 1102    HG   LEU  23           HG       LEU  23  -9.036 -10.885  16.555
 1103   HD11  LEU  23          HD11      LEU  23  -8.859 -13.049  18.713
 1104   HD12  LEU  23          HD12      LEU  23  -7.847 -12.938  17.258
 1105   HD13  LEU  23          HD13      LEU  23  -7.710 -11.711  18.514
 1106   HD21  LEU  23          HD21      LEU  23 -10.915 -13.176  17.254
 1107   HD22  LEU  23          HD22      LEU  23 -11.076 -12.016  15.913
 1108   HD23  LEU  23          HD23      LEU  23  -9.760 -13.196  15.912
 1109    H    THR  24           H        THR  24  -8.918  -9.554  20.917
 1110    HA   THR  24           HA       THR  24  -6.134  -8.965  20.106
 1111    HB   THR  24           HB       THR  24  -6.986  -8.867  22.957
 1112    HG1  THR  24           HG1      THR  24  -7.518  -6.734  22.694
 1113   HG21  THR  24          HG21      THR  24  -4.890  -7.349  21.343
 1114   HG22  THR  24          HG22      THR  24  -5.204  -7.169  23.079
 1115   HG23  THR  24          HG23      THR  24  -4.577  -8.700  22.456
 1116    H    GLU  25           H        GLU  25  -4.470 -10.328  20.280
 1117    HA   GLU  25           HA       GLU  25  -4.529 -12.583  22.133
 1118    HB2  GLU  25           HB2      GLU  25  -5.696 -13.588  20.259
 1119    HB3  GLU  25           HB3      GLU  25  -4.521 -12.946  19.122
 1120    HG2  GLU  25           HG2      GLU  25  -4.184 -15.290  19.337
 1121    HG3  GLU  25           HG3      GLU  25  -2.788 -14.463  19.986
 1122    H    TYR  26           H        TYR  26  -2.510 -13.220  22.765
 1123    HA   TYR  26           HA       TYR  26  -0.141 -12.423  21.316
 1124    HB2  TYR  26           HB2      TYR  26   0.853 -11.293  23.401
 1125    HB3  TYR  26           HB3      TYR  26  -0.168 -10.413  22.284
 1126    HD1  TYR  26           HD1      TYR  26  -0.255 -12.214  25.571
 1127    HD2  TYR  26           HD2      TYR  26  -2.094  -9.263  23.021
 1128    HE1  TYR  26           HE1      TYR  26  -1.739 -11.512  27.451
 1129    HE2  TYR  26           HE2      TYR  26  -3.570  -8.548  24.907
 1130    HH   TYR  26           HH       TYR  26  -4.160  -8.888  27.106
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -9.553   5.502   6.524
    2    H2   MET   1           H2       MET   1  -8.769   4.547   7.609
    3    H3   MET   1           H3       MET   1  -8.046   4.962   6.214
    4    HA   MET   1           HA       MET   1  -9.607   3.740   4.886
    5    HB2  MET   1           HB2      MET   1  -7.697   2.477   5.289
    6    HB3  MET   1           HB3      MET   1  -8.142   2.120   6.964
    7    HG2  MET   1           HG2      MET   1 -10.069   0.718   6.037
    8    HG3  MET   1           HG3      MET   1  -9.416   1.028   4.433
    9    HE1  MET   1           HE1      MET   1  -9.399  -1.096   7.593
   10    HE2  MET   1           HE2      MET   1  -7.772  -1.804   7.678
   11    HE3  MET   1           HE3      MET   1  -8.010  -0.081   8.043
   12    HA   PRO   2           HA       PRO   2 -12.768   1.285   7.345
   13    HB2  PRO   2           HB2      PRO   2 -13.406   1.913   9.977
   14    HB3  PRO   2           HB3      PRO   2 -12.263   0.644   9.453
   15    HG2  PRO   2           HG2      PRO   2 -11.633   3.495  10.268
   16    HG3  PRO   2           HG3      PRO   2 -10.852   1.979  10.826
   17    HD2  PRO   2           HD2      PRO   2  -9.710   3.427   8.907
   18    HD3  PRO   2           HD3      PRO   2  -9.804   1.654   8.710
   19    H    SER   3           H        SER   3 -14.278   2.066   6.112
   20    HA   SER   3           HA       SER   3 -16.154   4.178   6.836
   21    HB2  SER   3           HB2      SER   3 -15.551   5.687   5.025
   22    HB3  SER   3           HB3      SER   3 -14.121   5.448   6.028
   23    HG   SER   3           HG       SER   3 -13.291   4.042   4.504
   24    H    GLU   4           H        GLU   4 -17.379   4.693   4.521
   25    HA   GLU   4           HA       GLU   4 -18.439   2.168   3.516
   26    HB2  GLU   4           HB2      GLU   4 -18.942   5.062   2.721
   27    HB3  GLU   4           HB3      GLU   4 -19.839   3.661   2.105
   28    HG2  GLU   4           HG2      GLU   4 -20.512   3.081   4.435
   29    HG3  GLU   4           HG3      GLU   4 -19.734   4.561   5.010
   30    H    LYS   5           H        LYS   5 -15.575   3.723   2.681
   31    HA   LYS   5           HA       LYS   5 -15.693   2.769  -0.154
   32    HB2  LYS   5           HB2      LYS   5 -14.314   4.679  -0.829
   33    HB3  LYS   5           HB3      LYS   5 -15.893   5.133  -0.203
   34    HG2  LYS   5           HG2      LYS   5 -14.875   5.792   1.964
   35    HG3  LYS   5           HG3      LYS   5 -13.285   5.294   1.363
   36    HD2  LYS   5           HD2      LYS   5 -13.455   7.683   1.206
   37    HD3  LYS   5           HD3      LYS   5 -13.466   7.027  -0.441
   38    HE2  LYS   5           HE2      LYS   5 -15.935   7.280  -0.530
   39    HE3  LYS   5           HE3      LYS   5 -15.946   7.848   1.144
   40    HZ1  LYS   5           HZ1      LYS   5 -14.625   9.260  -1.123
   41    HZ2  LYS   5           HZ2      LYS   5 -16.019   9.717  -0.416
   42    HZ3  LYS   5           HZ3      LYS   5 -14.624   9.782   0.431
   43    H    THR   6           H        THR   6 -13.576   2.458  -1.189
   44    HA   THR   6           HA       THR   6 -12.417   0.345   0.330
   45    HB   THR   6           HB       THR   6 -11.629  -0.624  -1.510
   46    HG1  THR   6           HG1      THR   6 -11.043   0.585  -3.403
   47   HG21  THR   6          HG21      THR   6 -14.082  -0.151  -1.881
   48   HG22  THR   6          HG22      THR   6 -13.610   1.243  -2.888
   49   HG23  THR   6          HG23      THR   6 -13.152  -0.406  -3.357
   50    H    PHE   7           H        PHE   7 -10.285  -0.333   0.606
   51    HA   PHE   7           HA       PHE   7  -8.543   1.557   1.855
   52    HB2  PHE   7           HB2      PHE   7  -8.676  -0.602   2.709
   53    HB3  PHE   7           HB3      PHE   7  -8.423  -1.344   1.147
   54    HD1  PHE   7           HD1      PHE   7  -6.534  -2.647   1.100
   55    HD2  PHE   7           HD2      PHE   7  -6.427   1.103   3.235
   56    HE1  PHE   7           HE1      PHE   7  -4.242  -3.150   1.870
   57    HE2  PHE   7           HE2      PHE   7  -4.182   0.541   4.095
   58    HZ   PHE   7           HZ       PHE   7  -3.040  -1.551   3.349
   59    H    LYS   8           H        LYS   8  -8.594   0.445  -1.457
   60    HA   LYS   8           HA       LYS   8  -5.949   1.153  -2.265
   61    HB2  LYS   8           HB2      LYS   8  -7.431  -0.295  -3.563
   62    HB3  LYS   8           HB3      LYS   8  -8.615   0.996  -3.734
   63    HG2  LYS   8           HG2      LYS   8  -7.492   0.652  -5.814
   64    HG3  LYS   8           HG3      LYS   8  -7.104   2.253  -5.200
   65    HD2  LYS   8           HD2      LYS   8  -4.899   1.299  -4.336
   66    HD3  LYS   8           HD3      LYS   8  -5.304  -0.218  -5.155
   67    HE2  LYS   8           HE2      LYS   8  -4.995   2.528  -6.476
   68    HE3  LYS   8           HE3      LYS   8  -3.746   1.278  -6.431
   69    HZ1  LYS   8           HZ1      LYS   8  -6.375   1.016  -7.820
   70    HZ2  LYS   8           HZ2      LYS   8  -4.925   1.195  -8.536
   71    HZ3  LYS   8           HZ3      LYS   8  -5.255  -0.177  -7.725
   72    H    GLN   9           H        GLN   9  -8.686   3.235  -1.611
   73    HA   GLN   9           HA       GLN   9  -7.814   5.555  -3.023
   74    HB2  GLN   9           HB2      GLN   9 -10.056   5.117  -1.991
   75    HB3  GLN   9           HB3      GLN   9  -9.370   5.425  -0.400
   76    HG2  GLN   9           HG2      GLN   9  -8.967   7.546  -2.527
   77    HG3  GLN   9           HG3      GLN   9 -10.611   7.270  -1.992
   78   HE21  GLN   9          HE21      GLN   9  -9.979   8.460   1.397
   79   HE22  GLN   9          HE22      GLN   9 -10.831   7.151   0.595
   80    H    ARG  10           H        ARG  10  -6.693   4.152   0.038
   81    HA   ARG  10           HA       ARG  10  -4.862   6.503   0.474
   82    HB2  ARG  10           HB2      ARG  10  -5.549   4.294   2.458
   83    HB3  ARG  10           HB3      ARG  10  -4.578   5.734   2.743
   84    HG2  ARG  10           HG2      ARG  10  -7.566   5.529   2.332
   85    HG3  ARG  10           HG3      ARG  10  -6.692   6.133   3.736
   86    HD2  ARG  10           HD2      ARG  10  -7.010   7.457   1.039
   87    HD3  ARG  10           HD3      ARG  10  -7.726   7.983   2.562
   88    HE   ARG  10           HE       ARG  10  -5.164   8.214   3.239
   89   HH11  ARG  10          HH11      ARG  10  -5.522  10.531  -0.006
   90   HH12  ARG  10          HH12      ARG  10  -6.718   9.292   0.266
   91   HH21  ARG  10          HH21      ARG  10  -3.674   9.820   2.815
   92   HH22  ARG  10          HH22      ARG  10  -3.863  10.837   1.420
   93    H    ARG  11           H        ARG  11  -4.684   2.889   0.584
   94    HA   ARG  11           HA       ARG  11  -1.719   3.156   0.412
   95    HB2  ARG  11           HB2      ARG  11  -3.592   1.009   1.346
   96    HB3  ARG  11           HB3      ARG  11  -2.015   0.527   0.767
   97    HG2  ARG  11           HG2      ARG  11  -1.920   0.765   3.145
   98    HG3  ARG  11           HG3      ARG  11  -0.858   1.928   2.400
   99    HD2  ARG  11           HD2      ARG  11  -3.634   2.863   3.136
  100    HD3  ARG  11           HD3      ARG  11  -2.490   2.498   4.436
  101    HE   ARG  11           HE       ARG  11  -1.242   4.204   2.455
  102   HH11  ARG  11          HH11      ARG  11  -0.500   6.088   3.028
  103   HH12  ARG  11          HH12      ARG  11  -1.130   6.943   4.423
  104   HH21  ARG  11          HH21      ARG  11  -3.312   4.413   5.290
  105   HH22  ARG  11          HH22      ARG  11  -2.688   5.987   5.702
  106    H    THR  12           H        THR  12  -0.407   1.925  -0.835
  107    HA   THR  12           HA       THR  12  -1.317   0.913  -3.479
  108    HB   THR  12           HB       THR  12   0.546   2.207  -4.528
  109    HG1  THR  12           HG1      THR  12   1.669   3.675  -3.373
  110   HG21  THR  12          HG21      THR  12  -1.335   4.108  -3.055
  111   HG22  THR  12          HG22      THR  12  -0.459   4.409  -4.564
  112   HG23  THR  12          HG23      THR  12  -1.760   3.204  -4.530
  113    H    PHE  13           H        PHE  13   0.661  -0.225  -4.549
  114    HA   PHE  13           HA       PHE  13   1.597  -2.212  -2.893
  115    HB2  PHE  13           HB2      PHE  13   2.454  -1.305  -5.589
  116    HB3  PHE  13           HB3      PHE  13   3.462  -2.454  -4.741
  117    HD1  PHE  13           HD1      PHE  13   2.498  -4.586  -3.843
  118    HD2  PHE  13           HD2      PHE  13   0.433  -2.112  -6.711
  119    HE1  PHE  13           HE1      PHE  13   1.168  -6.540  -4.556
  120    HE2  PHE  13           HE2      PHE  13  -0.946  -4.065  -7.393
  121    HZ   PHE  13           HZ       PHE  13  -0.586  -6.282  -6.322
  122    H    GLU  14           H        GLU  14   3.604   0.690  -3.558
  123    HA   GLU  14           HA       GLU  14   5.851  -0.289  -2.079
  124    HB2  GLU  14           HB2      GLU  14   4.917   2.570  -2.568
  125    HB3  GLU  14           HB3      GLU  14   6.493   2.110  -1.896
  126    HG2  GLU  14           HG2      GLU  14   6.959   0.785  -3.965
  127    HG3  GLU  14           HG3      GLU  14   5.449   1.372  -4.663
  128    H    GLN  15           H        GLN  15   2.947   1.465  -0.987
  129    HA   GLN  15           HA       GLN  15   3.844   1.792   1.767
  130    HB2  GLN  15           HB2      GLN  15   1.046   1.855   0.567
  131    HB3  GLN  15           HB3      GLN  15   1.482   2.345   2.209
  132    HG2  GLN  15           HG2      GLN  15   2.858   4.182   1.371
  133    HG3  GLN  15           HG3      GLN  15   2.579   3.690  -0.301
  134   HE21  GLN  15          HE21      GLN  15  -0.644   5.234  -0.461
  135   HE22  GLN  15          HE22      GLN  15   0.588   4.310  -1.337
  136    H    ARG  16           H        ARG  16   1.813  -0.631   0.062
  137    HA   ARG  16           HA       ARG  16   1.233  -2.200   2.435
  138    HB2  ARG  16           HB2      ARG  16   1.133  -2.938  -0.524
  139    HB3  ARG  16           HB3      ARG  16   0.605  -3.991   0.797
  140    HG2  ARG  16           HG2      ARG  16  -0.931  -2.072   1.552
  141    HG3  ARG  16           HG3      ARG  16  -0.601  -1.317  -0.012
  142    HD2  ARG  16           HD2      ARG  16  -1.758  -4.100   0.425
  143    HD3  ARG  16           HD3      ARG  16  -2.704  -2.672   0.030
  144    HE   ARG  16           HE       ARG  16  -0.838  -4.172  -1.750
  145   HH11  ARG  16          HH11      ARG  16  -3.284  -1.675  -1.546
  146   HH12  ARG  16          HH12      ARG  16  -3.508  -1.626  -3.271
  147   HH21  ARG  16          HH21      ARG  16  -1.077  -3.964  -3.964
  148   HH22  ARG  16          HH22      ARG  16  -2.277  -2.893  -4.596
  149    H    VAL  17           H        VAL  17   3.842  -2.443   0.032
  150    HA   VAL  17           HA       VAL  17   5.049  -4.865   0.979
  151    HB   VAL  17           HB       VAL  17   6.081  -2.406  -0.473
  152   HG11  VAL  17          HG11      VAL  17   8.054  -3.133   0.755
  153   HG12  VAL  17          HG12      VAL  17   7.750  -4.828   0.315
  154   HG13  VAL  17          HG13      VAL  17   8.202  -3.644  -0.928
  155   HG21  VAL  17          HG21      VAL  17   6.232  -3.912  -2.356
  156   HG22  VAL  17          HG22      VAL  17   5.947  -5.323  -1.319
  157   HG23  VAL  17          HG23      VAL  17   4.640  -4.172  -1.634
  158    H    GLU  18           H        GLU  18   5.650  -1.411   1.972
  159    HA   GLU  18           HA       GLU  18   7.486  -2.104   4.075
  160    HB2  GLU  18           HB2      GLU  18   5.699   0.308   3.648
  161    HB3  GLU  18           HB3      GLU  18   6.811   0.147   5.020
  162    HG2  GLU  18           HG2      GLU  18   8.716  -0.123   3.513
  163    HG3  GLU  18           HG3      GLU  18   7.667   0.010   2.100
  164    H    ASP  19           H        ASP  19   3.917  -1.498   4.282
  165    HA   ASP  19           HA       ASP  19   3.684  -2.052   7.029
  166    HB2  ASP  19           HB2      ASP  19   1.921  -0.978   5.949
  167    HB3  ASP  19           HB3      ASP  19   1.775  -2.240   4.728
  168    H    VAL  20           H        VAL  20   3.462  -4.430   4.378
  169    HA   VAL  20           HA       VAL  20   3.082  -6.783   5.999
  170    HB   VAL  20           HB       VAL  20   4.262  -6.304   3.232
  171   HG11  VAL  20          HG11      VAL  20   3.887  -8.987   4.629
  172   HG12  VAL  20          HG12      VAL  20   4.117  -8.782   2.886
  173   HG13  VAL  20          HG13      VAL  20   5.403  -8.316   3.990
  174   HG21  VAL  20          HG21      VAL  20   1.787  -6.055   3.534
  175   HG22  VAL  20          HG22      VAL  20   2.206  -7.434   2.502
  176   HG23  VAL  20          HG23      VAL  20   1.720  -7.705   4.187
  177    H    ARG  21           H        ARG  21   6.110  -5.156   4.813
  178    HA   ARG  21           HA       ARG  21   7.904  -7.096   5.871
  179    HB2  ARG  21           HB2      ARG  21   8.537  -5.435   4.187
  180    HB3  ARG  21           HB3      ARG  21   8.330  -4.123   5.352
  181    HG2  ARG  21           HG2      ARG  21  10.185  -4.992   6.718
  182    HG3  ARG  21           HG3      ARG  21  10.347  -6.389   5.643
  183    HD2  ARG  21           HD2      ARG  21  10.901  -4.878   3.759
  184    HD3  ARG  21           HD3      ARG  21  10.736  -3.479   4.809
  185    HE   ARG  21           HE       ARG  21  12.892  -5.529   4.817
  186   HH11  ARG  21          HH11      ARG  21  11.754  -2.560   6.318
  187   HH12  ARG  21          HH12      ARG  21  13.307  -2.226   7.024
  188   HH21  ARG  21          HH21      ARG  21  14.818  -5.061   5.793
  189   HH22  ARG  21          HH22      ARG  21  14.995  -3.607   6.729
  190    H    LEU  22           H        LEU  22   6.709  -4.073   7.444
  191    HA   LEU  22           HA       LEU  22   7.986  -4.408   9.932
  192    HB2  LEU  22           HB2      LEU  22   5.397  -3.079   9.049
  193    HB3  LEU  22           HB3      LEU  22   5.743  -3.300  10.759
  194    HG   LEU  22           HG       LEU  22   8.047  -2.223  10.262
  195   HD11  LEU  22          HD11      LEU  22   8.054  -0.498   8.531
  196   HD12  LEU  22          HD12      LEU  22   7.944  -2.112   7.822
  197   HD13  LEU  22          HD13      LEU  22   6.494  -1.085   7.923
  198   HD21  LEU  22          HD21      LEU  22   5.482  -0.565  10.183
  199   HD22  LEU  22          HD22      LEU  22   6.272  -1.200  11.646
  200   HD23  LEU  22          HD23      LEU  22   7.086   0.027  10.669
  201    H    ILE  23           H        ILE  23   4.611  -5.609   9.159
  202    HA   ILE  23           HA       ILE  23   4.511  -6.900  11.700
  203    HB   ILE  23           HB       ILE  23   2.463  -6.277  10.666
  204   HG12  ILE  23          HG12      ILE  23   1.146  -8.370  10.927
  205   HG13  ILE  23          HG13      ILE  23   2.610  -9.335  10.924
  206   HG21  ILE  23          HG21      ILE  23   3.063  -6.765   8.277
  207   HG22  ILE  23          HG22      ILE  23   2.831  -8.496   8.595
  208   HG23  ILE  23          HG23      ILE  23   1.480  -7.342   8.758
  209   HD11  ILE  23          HD11      ILE  23   1.952  -7.179  12.990
  210   HD12  ILE  23          HD12      ILE  23   1.674  -8.917  13.198
  211   HD13  ILE  23          HD13      ILE  23   3.328  -8.304  13.037
  212    H    ARG  24           H        ARG  24   5.373  -8.301   8.534
  213    HA   ARG  24           HA       ARG  24   5.468 -10.994   9.506
  214    HB2  ARG  24           HB2      ARG  24   5.137 -10.399   7.145
  215    HB3  ARG  24           HB3      ARG  24   6.741  -9.667   7.067
  216    HG2  ARG  24           HG2      ARG  24   6.694 -11.863   5.983
  217    HG3  ARG  24           HG3      ARG  24   7.820 -11.827   7.326
  218    HD2  ARG  24           HD2      ARG  24   6.006 -12.954   8.761
  219    HD3  ARG  24           HD3      ARG  24   5.035 -13.066   7.297
  220    HE   ARG  24           HE       ARG  24   6.370 -14.778   6.516
  221   HH11  ARG  24          HH11      ARG  24   7.876 -16.398   6.677
  222   HH12  ARG  24          HH12      ARG  24   9.105 -16.347   7.906
  223   HH21  ARG  24          HH21      ARG  24   8.106 -13.341   9.260
  224   HH22  ARG  24          HH22      ARG  24   9.234 -14.666   9.314
  225    H    GLU  25           H        GLU  25   7.918  -8.472   9.577
  226    HA   GLU  25           HA       GLU  25  10.014 -10.309  10.533
  227    HB2  GLU  25           HB2      GLU  25  10.570  -8.372   9.155
  228    HB3  GLU  25           HB3      GLU  25   9.910  -7.278  10.387
  229    HG2  GLU  25           HG2      GLU  25  11.606  -7.999  11.996
  230    HG3  GLU  25           HG3      GLU  25  12.204  -9.219  10.872
  231    H    GLN  26           H        GLN  26   7.962  -7.713  12.032
  232    HA   GLN  26           HA       GLN  26   9.268  -8.016  14.556
  233    HB2  GLN  26           HB2      GLN  26   7.926  -6.270  15.324
  234    HB3  GLN  26           HB3      GLN  26   8.181  -5.959  13.616
  235    HG2  GLN  26           HG2      GLN  26   5.836  -7.223  13.375
  236    HG3  GLN  26           HG3      GLN  26   5.677  -6.812  15.076
  237   HE21  GLN  26          HE21      GLN  26   4.016  -4.069  13.252
  238   HE22  GLN  26          HE22      GLN  26   3.677  -5.754  13.628
  239    H    HIS  27           H        HIS  27   6.276  -9.501  13.326
  240    HA   HIS  27           HA       HIS  27   6.177 -11.237  15.764
  241    HB2  HIS  27           HB2      HIS  27   3.664  -9.998  14.600
  242    HB3  HIS  27           HB3      HIS  27   3.789 -11.035  16.013
  243    HD1  HIS  27           HD1      HIS  27   5.954  -9.469  17.724
  244    HD2  HIS  27           HD2      HIS  27   2.686  -7.825  15.612
  245    HE1  HIS  27           HE1      HIS  27   5.399  -7.226  18.862
  246    HE2  HIS  27           HE2      HIS  27   3.448  -6.194  17.521
  247    HA   PRO  28           HA       PRO  28   6.043 -13.633  11.756
  248    HB2  PRO  28           HB2      PRO  28   7.502 -15.808  12.636
  249    HB3  PRO  28           HB3      PRO  28   8.214 -14.311  11.966
  250    HG2  PRO  28           HG2      PRO  28   7.797 -15.016  14.887
  251    HG3  PRO  28           HG3      PRO  28   9.289 -14.405  14.097
  252    HD2  PRO  28           HD2      PRO  28   7.653 -12.731  15.400
  253    HD3  PRO  28           HD3      PRO  28   8.369 -12.232  13.838
  254    H    THR  29           H        THR  29   5.054 -14.365  15.053
  255    HA   THR  29           HA       THR  29   3.401 -16.647  14.477
  256    HB   THR  29           HB       THR  29   2.473 -16.352  16.643
  257    HG1  THR  29           HG1      THR  29   2.823 -14.424  17.804
  258   HG21  THR  29          HG21      THR  29   5.354 -15.364  16.919
  259   HG22  THR  29          HG22      THR  29   4.378 -16.259  18.105
  260   HG23  THR  29          HG23      THR  29   4.893 -17.057  16.614
  261    H    LYS  30           H        LYS  30   2.966 -13.434  13.458
  262    HA   LYS  30           HA       LYS  30   0.043 -13.903  13.059
  263    HB2  LYS  30           HB2      LYS  30   1.519 -11.292  13.522
  264    HB3  LYS  30           HB3      LYS  30  -0.140 -11.391  12.909
  265    HG2  LYS  30           HG2      LYS  30  -0.888 -12.536  14.932
  266    HG3  LYS  30           HG3      LYS  30   0.764 -12.548  15.584
  267    HD2  LYS  30           HD2      LYS  30   0.784 -10.100  15.714
  268    HD3  LYS  30           HD3      LYS  30  -0.763 -10.003  14.868
  269    HE2  LYS  30           HE2      LYS  30  -1.143  -9.628  17.232
  270    HE3  LYS  30           HE3      LYS  30  -1.904 -11.140  16.746
  271    HZ1  LYS  30           HZ1      LYS  30  -0.730 -11.373  18.849
  272    HZ2  LYS  30           HZ2      LYS  30   0.009 -12.332  17.769
  273    HZ3  LYS  30           HZ3      LYS  30   0.696 -10.914  18.207
  274    H    ILE  31           H        ILE  31  -0.908 -13.291  11.204
  275    HA   ILE  31           HA       ILE  31   0.830 -13.398   8.784
  276    HB   ILE  31           HB       ILE  31  -2.015 -14.348   9.269
  277   HG12  ILE  31          HG12      ILE  31  -0.533 -15.755  10.542
  278   HG13  ILE  31          HG13      ILE  31  -1.135 -16.624   9.138
  279   HG21  ILE  31          HG21      ILE  31  -0.222 -14.706   6.834
  280   HG22  ILE  31          HG22      ILE  31  -1.792 -15.510   7.109
  281   HG23  ILE  31          HG23      ILE  31  -1.720 -13.761   6.916
  282   HD11  ILE  31          HD11      ILE  31   1.036 -16.325   7.979
  283   HD12  ILE  31          HD12      ILE  31   1.666 -15.454   9.395
  284   HD13  ILE  31          HD13      ILE  31   1.215 -17.157   9.529
  285    HA   PRO  32           HA       PRO  32  -1.244  -9.470   7.719
  286    HB2  PRO  32           HB2      PRO  32  -0.001  -8.951   5.342
  287    HB3  PRO  32           HB3      PRO  32   0.813  -8.739   6.919
  288    HG2  PRO  32           HG2      PRO  32   1.022 -11.092   5.020
  289    HG3  PRO  32           HG3      PRO  32   2.339 -10.230   5.868
  290    HD2  PRO  32           HD2      PRO  32   1.248 -12.572   6.775
  291    HD3  PRO  32           HD3      PRO  32   1.896 -11.321   7.881
  292    H    VAL  33           H        VAL  33  -3.308  -9.522   7.002
  293    HA   VAL  33           HA       VAL  33  -3.976 -11.014   4.510
  294    HB   VAL  33           HB       VAL  33  -5.779 -10.829   6.908
  295   HG11  VAL  33          HG11      VAL  33  -7.004 -12.671   5.836
  296   HG12  VAL  33          HG12      VAL  33  -6.965 -11.256   4.789
  297   HG13  VAL  33          HG13      VAL  33  -5.875 -12.622   4.456
  298   HG21  VAL  33          HG21      VAL  33  -5.281 -13.253   7.304
  299   HG22  VAL  33          HG22      VAL  33  -3.927 -13.109   6.166
  300   HG23  VAL  33          HG23      VAL  33  -3.937 -12.171   7.673
  301    H    ILE  34           H        ILE  34  -5.354 -10.089   3.066
  302    HA   ILE  34           HA       ILE  34  -6.611  -7.451   3.784
  303    HB   ILE  34           HB       ILE  34  -5.553  -8.325   1.079
  304   HG12  ILE  34          HG12      ILE  34  -4.615  -6.141   3.004
  305   HG13  ILE  34          HG13      ILE  34  -3.773  -7.650   2.666
  306   HG21  ILE  34          HG21      ILE  34  -6.962  -5.735   1.894
  307   HG22  ILE  34          HG22      ILE  34  -6.250  -6.074   0.302
  308   HG23  ILE  34          HG23      ILE  34  -7.631  -7.000   0.836
  309   HD11  ILE  34          HD11      ILE  34  -3.596  -6.935   0.241
  310   HD12  ILE  34          HD12      ILE  34  -4.153  -5.327   0.760
  311   HD13  ILE  34          HD13      ILE  34  -2.654  -6.000   1.426
  312    H    ILE  35           H        ILE  35  -8.784  -7.231   3.341
  313    HA   ILE  35           HA       ILE  35 -10.218  -9.495   2.078
  314    HB   ILE  35           HB       ILE  35 -10.425  -9.989   4.402
  315   HG12  ILE  35          HG12      ILE  35 -13.017  -8.698   3.389
  316   HG13  ILE  35          HG13      ILE  35 -12.389 -10.263   2.872
  317   HG21  ILE  35          HG21      ILE  35  -9.933  -7.785   5.402
  318   HG22  ILE  35          HG22      ILE  35 -11.493  -7.155   4.812
  319   HG23  ILE  35          HG23      ILE  35 -11.441  -8.409   6.033
  320   HD11  ILE  35          HD11      ILE  35 -14.076 -10.688   4.513
  321   HD12  ILE  35          HD12      ILE  35 -12.514 -11.073   5.265
  322   HD13  ILE  35          HD13      ILE  35 -13.363  -9.562   5.670
  323    H    GLU  36           H        GLU  36 -11.638  -8.800   0.527
  324    HA   GLU  36           HA       GLU  36 -12.961  -6.167   0.900
  325    HB2  GLU  36           HB2      GLU  36 -10.956  -5.525  -0.199
  326    HB3  GLU  36           HB3      GLU  36 -11.029  -6.876  -1.311
  327    HG2  GLU  36           HG2      GLU  36 -11.418  -4.751  -2.388
  328    HG3  GLU  36           HG3      GLU  36 -12.742  -5.865  -2.599
  329    H    ARG  37           H        ARG  37 -14.890  -5.858  -0.111
  330    HA   ARG  37           HA       ARG  37 -16.482  -8.081  -1.019
  331    HB2  ARG  37           HB2      ARG  37 -17.514  -5.983  -0.249
  332    HB3  ARG  37           HB3      ARG  37 -16.774  -5.088  -1.581
  333    HG2  ARG  37           HG2      ARG  37 -18.123  -6.295  -3.234
  334    HG3  ARG  37           HG3      ARG  37 -18.699  -7.415  -1.994
  335    HD2  ARG  37           HD2      ARG  37 -20.437  -5.901  -2.516
  336    HD3  ARG  37           HD3      ARG  37 -19.887  -5.555  -0.866
  337    HE   ARG  37           HE       ARG  37 -18.450  -3.788  -2.504
  338   HH11  ARG  37          HH11      ARG  37 -19.055  -1.648  -2.852
  339   HH12  ARG  37          HH12      ARG  37 -20.729  -1.205  -2.773
  340   HH21  ARG  37          HH21      ARG  37 -21.883  -4.338  -1.956
  341   HH22  ARG  37          HH22      ARG  37 -22.286  -2.671  -2.282
  342    H    TYR  38           H        TYR  38 -16.643  -9.131  -2.960
  343    HA   TYR  38           HA       TYR  38 -14.579  -8.869  -4.801
  344    HB2  TYR  38           HB2      TYR  38 -15.473 -10.968  -4.609
  345    HB3  TYR  38           HB3      TYR  38 -17.116 -10.385  -4.851
  346    HD1  TYR  38           HD1      TYR  38 -13.887 -10.346  -6.819
  347    HD2  TYR  38           HD2      TYR  38 -18.141 -11.114  -6.802
  348    HE1  TYR  38           HE1      TYR  38 -13.790 -10.917  -9.226
  349    HE2  TYR  38           HE2      TYR  38 -18.027 -11.672  -9.238
  350    HH   TYR  38           HH       TYR  38 -14.973 -11.585 -11.096
  351    H    LYS  39           H        LYS  39 -14.030  -7.814  -6.542
  352    HA   LYS  39           HA       LYS  39 -15.347  -5.384  -7.160
  353    HB2  LYS  39           HB2      LYS  39 -13.150  -6.914  -8.622
  354    HB3  LYS  39           HB3      LYS  39 -13.660  -5.279  -9.050
  355    HG2  LYS  39           HG2      LYS  39 -13.017  -4.424  -6.850
  356    HG3  LYS  39           HG3      LYS  39 -12.622  -6.050  -6.289
  357    HD2  LYS  39           HD2      LYS  39 -10.581  -4.889  -6.823
  358    HD3  LYS  39           HD3      LYS  39 -10.810  -6.223  -7.966
  359    HE2  LYS  39           HE2      LYS  39 -11.677  -4.605  -9.662
  360    HE3  LYS  39           HE3      LYS  39 -11.462  -3.281  -8.512
  361    HZ1  LYS  39           HZ1      LYS  39  -9.264  -4.981  -9.604
  362    HZ2  LYS  39           HZ2      LYS  39  -9.573  -3.443 -10.042
  363    HZ3  LYS  39           HZ3      LYS  39  -9.051  -3.766  -8.528
  364    H    GLY  40           H        GLY  40 -15.472  -8.453  -8.935
  365    HA2  GLY  40           HA2      GLY  40 -16.757  -7.346 -11.290
  366    HA3  GLY  40           HA3      GLY  40 -16.519  -9.044 -10.914
  367    H    GLU  41           H        GLU  41 -18.050  -8.519  -8.251
  368    HA   GLU  41           HA       GLU  41 -20.771  -7.906  -9.172
  369    HB2  GLU  41           HB2      GLU  41 -20.575 -10.276  -9.763
  370    HB3  GLU  41           HB3      GLU  41 -20.044 -10.656  -8.128
  371    HG2  GLU  41           HG2      GLU  41 -22.384 -11.263  -8.439
  372    HG3  GLU  41           HG3      GLU  41 -22.245 -10.008  -7.226
  373    H    LYS  42           H        LYS  42 -20.658  -6.189  -7.797
  374    HA   LYS  42           HA       LYS  42 -20.038  -6.398  -4.964
  375    HB2  LYS  42           HB2      LYS  42 -21.082  -4.161  -6.736
  376    HB3  LYS  42           HB3      LYS  42 -20.742  -3.947  -5.022
  377    HG2  LYS  42           HG2      LYS  42 -18.388  -4.548  -5.329
  378    HG3  LYS  42           HG3      LYS  42 -18.658  -4.866  -7.048
  379    HD2  LYS  42           HD2      LYS  42 -19.268  -2.529  -7.436
  380    HD3  LYS  42           HD3      LYS  42 -19.092  -2.159  -5.707
  381    HE2  LYS  42           HE2      LYS  42 -16.685  -2.657  -5.793
  382    HE3  LYS  42           HE3      LYS  42 -16.824  -3.206  -7.467
  383    HZ1  LYS  42           HZ1      LYS  42 -17.443  -0.931  -8.107
  384    HZ2  LYS  42           HZ2      LYS  42 -17.363  -0.413  -6.560
  385    HZ3  LYS  42           HZ3      LYS  42 -16.009  -0.907  -7.330
  386    H    GLN  43           H        GLN  43 -22.100  -8.193  -5.537
  387    HA   GLN  43           HA       GLN  43 -24.719  -7.115  -5.169
  388    HB2  GLN  43           HB2      GLN  43 -24.230  -9.202  -6.329
  389    HB3  GLN  43           HB3      GLN  43 -23.688  -9.966  -4.821
  390    HG2  GLN  43           HG2      GLN  43 -25.946  -9.826  -3.901
  391    HG3  GLN  43           HG3      GLN  43 -26.469  -8.824  -5.261
  392   HE21  GLN  43          HE21      GLN  43 -27.831 -12.063  -6.190
  393   HE22  GLN  43          HE22      GLN  43 -28.198 -10.673  -5.179
  394    H    LEU  44           H        LEU  44 -22.591  -8.753  -2.783
  395    HA   LEU  44           HA       LEU  44 -24.371  -8.405  -0.535
  396    HB2  LEU  44           HB2      LEU  44 -21.366  -8.864  -0.806
  397    HB3  LEU  44           HB3      LEU  44 -22.143  -8.717   0.767
  398    HG   LEU  44           HG       LEU  44 -22.774 -10.862  -1.294
  399   HD11  LEU  44          HD11      LEU  44 -21.684 -12.355   0.368
  400   HD12  LEU  44          HD12      LEU  44 -20.568 -11.134  -0.263
  401   HD13  LEU  44          HD13      LEU  44 -21.268 -10.932   1.356
  402   HD21  LEU  44          HD21      LEU  44 -23.771 -10.474   1.571
  403   HD22  LEU  44          HD22      LEU  44 -24.765 -10.441   0.090
  404   HD23  LEU  44          HD23      LEU  44 -24.003 -11.942   0.587
  405    HA   PRO  45           HA       PRO  45 -23.498  -4.126   0.592
  406    HB2  PRO  45           HB2      PRO  45 -23.716  -4.161   3.318
  407    HB3  PRO  45           HB3      PRO  45 -25.125  -4.321   2.227
  408    HG2  PRO  45           HG2      PRO  45 -23.562  -6.550   3.580
  409    HG3  PRO  45           HG3      PRO  45 -25.339  -6.306   3.547
  410    HD2  PRO  45           HD2      PRO  45 -24.098  -7.986   1.816
  411    HD3  PRO  45           HD3      PRO  45 -25.489  -6.986   1.290
  412    H    VAL  46           H        VAL  46 -21.713  -2.894   1.208
  413    HA   VAL  46           HA       VAL  46 -19.260  -4.328   2.045
  414    HB   VAL  46           HB       VAL  46 -19.212  -2.777   0.094
  415   HG11  VAL  46          HG11      VAL  46 -20.529  -0.880   1.037
  416   HG12  VAL  46          HG12      VAL  46 -19.200  -0.557   2.179
  417   HG13  VAL  46          HG13      VAL  46 -18.934  -0.398   0.433
  418   HG21  VAL  46          HG21      VAL  46 -17.180  -3.558   1.260
  419   HG22  VAL  46          HG22      VAL  46 -17.001  -1.935   0.586
  420   HG23  VAL  46          HG23      VAL  46 -17.257  -2.135   2.325
  421    H    LEU  47           H        LEU  47 -18.108  -3.894   3.896
  422    HA   LEU  47           HA       LEU  47 -19.202  -1.953   5.857
  423    HB2  LEU  47           HB2      LEU  47 -18.589  -4.878   6.448
  424    HB3  LEU  47           HB3      LEU  47 -18.708  -3.627   7.670
  425    HG   LEU  47           HG       LEU  47 -21.093  -3.164   6.478
  426   HD11  LEU  47          HD11      LEU  47 -20.857  -5.042   4.821
  427   HD12  LEU  47          HD12      LEU  47 -20.717  -6.177   6.169
  428   HD13  LEU  47          HD13      LEU  47 -22.216  -5.266   5.919
  429   HD21  LEU  47          HD21      LEU  47 -20.525  -5.317   8.542
  430   HD22  LEU  47          HD22      LEU  47 -20.775  -3.590   8.841
  431   HD23  LEU  47          HD23      LEU  47 -22.113  -4.571   8.228
  432    H    ASP  48           H        ASP  48 -17.638  -1.559   7.648
  433    HA   ASP  48           HA       ASP  48 -15.404  -0.424   6.362
  434    HB2  ASP  48           HB2      ASP  48 -14.856   0.499   8.634
  435    HB3  ASP  48           HB3      ASP  48 -16.411   0.879   7.926
  436    H    LYS  49           H        LYS  49 -15.303  -3.540   7.730
  437    HA   LYS  49           HA       LYS  49 -12.428  -3.408   8.380
  438    HB2  LYS  49           HB2      LYS  49 -14.410  -5.711   8.345
  439    HB3  LYS  49           HB3      LYS  49 -12.682  -5.913   8.669
  440    HG2  LYS  49           HG2      LYS  49 -12.815  -4.315  10.553
  441    HG3  LYS  49           HG3      LYS  49 -14.553  -4.127  10.290
  442    HD2  LYS  49           HD2      LYS  49 -14.921  -6.520  10.737
  443    HD3  LYS  49           HD3      LYS  49 -13.205  -6.789  10.934
  444    HE2  LYS  49           HE2      LYS  49 -14.985  -5.088  12.734
  445    HE3  LYS  49           HE3      LYS  49 -14.346  -6.693  13.097
  446    HZ1  LYS  49           HZ1      LYS  49 -12.039  -5.651  12.977
  447    HZ2  LYS  49           HZ2      LYS  49 -12.771  -4.181  12.876
  448    HZ3  LYS  49           HZ3      LYS  49 -12.971  -5.125  14.210
  449    H    THR  50           H        THR  50 -10.998  -3.225   6.854
  450    HA   THR  50           HA       THR  50 -11.201  -4.879   4.406
  451    HB   THR  50           HB       THR  50  -9.528  -2.465   4.257
  452    HG1  THR  50           HG1      THR  50 -11.362  -1.187   3.868
  453   HG21  THR  50          HG21      THR  50  -9.800  -3.886   2.264
  454   HG22  THR  50          HG22      THR  50 -11.569  -3.724   2.376
  455   HG23  THR  50          HG23      THR  50 -10.568  -2.310   2.010
  456    H    LYS  51           H        LYS  51  -9.303  -4.863   7.110
  457    HA   LYS  51           HA       LYS  51  -7.177  -6.484   5.785
  458    HB2  LYS  51           HB2      LYS  51  -6.587  -4.230   7.748
  459    HB3  LYS  51           HB3      LYS  51  -5.405  -5.307   7.006
  460    HG2  LYS  51           HG2      LYS  51  -5.847  -4.270   4.784
  461    HG3  LYS  51           HG3      LYS  51  -7.081  -3.240   5.522
  462    HD2  LYS  51           HD2      LYS  51  -5.166  -1.873   5.440
  463    HD3  LYS  51           HD3      LYS  51  -5.293  -2.369   7.124
  464    HE2  LYS  51           HE2      LYS  51  -3.627  -4.274   6.533
  465    HE3  LYS  51           HE3      LYS  51  -3.417  -3.474   4.977
  466    HZ1  LYS  51           HZ1      LYS  51  -2.725  -2.367   7.663
  467    HZ2  LYS  51           HZ2      LYS  51  -1.706  -2.728   6.448
  468    HZ3  LYS  51           HZ3      LYS  51  -2.717  -1.443   6.297
  469    H    PHE  52           H        PHE  52  -6.047  -7.865   7.260
  470    HA   PHE  52           HA       PHE  52  -6.782  -7.793  10.102
  471    HB2  PHE  52           HB2      PHE  52  -7.221 -10.313   8.437
  472    HB3  PHE  52           HB3      PHE  52  -7.210 -10.255  10.190
  473    HD1  PHE  52           HD1      PHE  52  -8.842  -8.247  11.156
  474    HD2  PHE  52           HD2      PHE  52  -9.338 -10.478   7.506
  475    HE1  PHE  52           HE1      PHE  52 -11.252  -7.770  11.206
  476    HE2  PHE  52           HE2      PHE  52 -11.775 -10.026   7.577
  477    HZ   PHE  52           HZ       PHE  52 -12.744  -8.664   9.404
  478    H    LEU  53           H        LEU  53  -5.203  -8.485  11.524
  479    HA   LEU  53           HA       LEU  53  -2.723  -9.691  10.334
  480    HB2  LEU  53           HB2      LEU  53  -2.920  -7.924  12.811
  481    HB3  LEU  53           HB3      LEU  53  -1.483  -8.743  12.217
  482    HG   LEU  53           HG       LEU  53  -2.941  -6.407  10.913
  483   HD11  LEU  53          HD11      LEU  53  -0.680  -5.336  11.188
  484   HD12  LEU  53          HD12      LEU  53  -1.462  -5.754  12.710
  485   HD13  LEU  53          HD13      LEU  53  -0.141  -6.755  12.089
  486   HD21  LEU  53          HD21      LEU  53  -0.703  -8.120   9.772
  487   HD22  LEU  53          HD22      LEU  53  -2.273  -7.736   9.045
  488   HD23  LEU  53          HD23      LEU  53  -1.065  -6.466   9.211
  489    H    VAL  54           H        VAL  54  -3.481 -11.766  10.468
  490    HA   VAL  54           HA       VAL  54  -5.034 -12.597  12.812
  491    HB   VAL  54           HB       VAL  54  -4.371 -14.322  10.435
  492   HG11  VAL  54          HG11      VAL  54  -6.695 -14.360  12.417
  493   HG12  VAL  54          HG12      VAL  54  -6.453 -15.474  11.055
  494   HG13  VAL  54          HG13      VAL  54  -5.327 -15.490  12.414
  495   HG21  VAL  54          HG21      VAL  54  -6.747 -12.459  10.799
  496   HG22  VAL  54          HG22      VAL  54  -5.465 -12.272   9.587
  497   HG23  VAL  54          HG23      VAL  54  -6.558 -13.657   9.505
  498    HA   PRO  55           HA       PRO  55  -1.565 -14.751  14.803
  499    HB2  PRO  55           HB2      PRO  55  -3.783 -16.117  16.310
  500    HB3  PRO  55           HB3      PRO  55  -2.294 -15.351  16.941
  501    HG2  PRO  55           HG2      PRO  55  -4.689 -14.092  17.150
  502    HG3  PRO  55           HG3      PRO  55  -3.219 -13.170  16.694
  503    HD2  PRO  55           HD2      PRO  55  -5.390 -14.261  14.876
  504    HD3  PRO  55           HD3      PRO  55  -4.642 -12.631  14.909
  505    H    ASP  56           H        ASP  56  -0.559 -16.692  14.341
  506    HA   ASP  56           HA       ASP  56  -1.462 -18.253  12.227
  507    HB2  ASP  56           HB2      ASP  56   0.433 -19.756  12.727
  508    HB3  ASP  56           HB3      ASP  56   0.836 -18.048  12.655
  509    H    HIS  57           H        HIS  57  -2.199 -18.827  15.566
  510    HA   HIS  57           HA       HIS  57  -3.001 -21.610  15.284
  511    HB2  HIS  57           HB2      HIS  57  -3.386 -19.507  17.449
  512    HB3  HIS  57           HB3      HIS  57  -4.145 -21.090  17.544
  513    HD1  HIS  57           HD1      HIS  57  -0.423 -20.043  16.808
  514    HD2  HIS  57           HD2      HIS  57  -2.874 -22.580  19.152
  515    HE1  HIS  57           HE1      HIS  57   1.152 -21.394  18.329
  516    HE2  HIS  57           HE2      HIS  57  -0.340 -22.944  19.739
  517    H    VAL  58           H        VAL  58  -4.613 -18.735  14.290
  518    HA   VAL  58           HA       VAL  58  -7.365 -19.706  14.559
  519    HB   VAL  58           HB       VAL  58  -6.184 -17.556  12.779
  520   HG11  VAL  58          HG11      VAL  58  -8.328 -18.215  11.844
  521   HG12  VAL  58          HG12      VAL  58  -9.097 -18.131  13.457
  522   HG13  VAL  58          HG13      VAL  58  -8.505 -16.661  12.650
  523   HG21  VAL  58          HG21      VAL  58  -7.624 -17.363  15.461
  524   HG22  VAL  58          HG22      VAL  58  -5.911 -17.008  15.175
  525   HG23  VAL  58          HG23      VAL  58  -7.148 -15.980  14.451
  526    H    ASN  59           H        ASN  59  -8.596 -20.833  13.009
  527    HA   ASN  59           HA       ASN  59  -7.173 -21.759  10.536
  528    HB2  ASN  59           HB2      ASN  59  -8.587 -23.702  10.544
  529    HB3  ASN  59           HB3      ASN  59  -7.724 -23.594  12.073
  530   HD21  ASN  59          HD21      ASN  59 -10.752 -23.715  13.891
  531   HD22  ASN  59          HD22      ASN  59  -9.002 -23.840  13.923
  532    H    MET  60           H        MET  60  -8.606 -22.108   8.611
  533    HA   MET  60           HA       MET  60  -9.843 -19.624   7.973
  534    HB2  MET  60           HB2      MET  60  -9.900 -22.332   6.615
  535    HB3  MET  60           HB3      MET  60 -10.782 -20.961   5.950
  536    HG2  MET  60           HG2      MET  60  -7.802 -21.143   6.434
  537    HG3  MET  60           HG3      MET  60  -8.628 -21.148   4.876
  538    HE1  MET  60           HE1      MET  60 -10.262 -19.010   4.198
  539    HE2  MET  60           HE2      MET  60 -10.811 -18.542   5.829
  540    HE3  MET  60           HE3      MET  60  -9.977 -17.361   4.804
  541    H    SER  61           H        SER  61 -11.542 -22.719   8.768
  542    HA   SER  61           HA       SER  61 -14.158 -21.708   8.455
  543    HB2  SER  61           HB2      SER  61 -13.663 -24.072   8.786
  544    HB3  SER  61           HB3      SER  61 -13.105 -23.765  10.438
  545    HG   SER  61           HG       SER  61 -15.293 -24.516  10.350
  546    H    GLU  62           H        GLU  62 -12.066 -21.558  11.381
  547    HA   GLU  62           HA       GLU  62 -13.896 -20.151  13.044
  548    HB2  GLU  62           HB2      GLU  62 -11.981 -21.309  13.958
  549    HB3  GLU  62           HB3      GLU  62 -10.874 -20.284  13.055
  550    HG2  GLU  62           HG2      GLU  62 -10.863 -19.609  15.352
  551    HG3  GLU  62           HG3      GLU  62 -11.514 -18.313  14.368
  552    H    LEU  63           H        LEU  63 -11.284 -18.800  10.938
  553    HA   LEU  63           HA       LEU  63 -11.836 -16.030  11.405
  554    HB2  LEU  63           HB2      LEU  63  -9.832 -16.914  10.188
  555    HB3  LEU  63           HB3      LEU  63 -10.872 -17.457   8.883
  556    HG   LEU  63           HG       LEU  63 -11.523 -14.992   8.515
  557   HD11  LEU  63          HD11      LEU  63 -10.694 -14.109  10.698
  558   HD12  LEU  63          HD12      LEU  63  -9.037 -14.575  10.243
  559   HD13  LEU  63          HD13      LEU  63  -9.901 -13.321   9.325
  560   HD21  LEU  63          HD21      LEU  63  -9.481 -14.492   7.229
  561   HD22  LEU  63          HD22      LEU  63  -8.614 -15.787   8.088
  562   HD23  LEU  63          HD23      LEU  63  -9.976 -16.167   7.008
  563    H    ILE  64           H        ILE  64 -13.279 -18.313   9.078
  564    HA   ILE  64           HA       ILE  64 -14.911 -16.398   7.733
  565    HB   ILE  64           HB       ILE  64 -14.864 -19.412   7.918
  566   HG12  ILE  64          HG12      ILE  64 -14.397 -17.424   5.660
  567   HG13  ILE  64          HG13      ILE  64 -13.114 -18.010   6.694
  568   HG21  ILE  64          HG21      ILE  64 -17.250 -18.888   7.567
  569   HG22  ILE  64          HG22      ILE  64 -16.816 -17.819   6.209
  570   HG23  ILE  64          HG23      ILE  64 -16.532 -19.575   6.124
  571   HD11  ILE  64          HD11      ILE  64 -14.696 -19.598   4.677
  572   HD12  ILE  64          HD12      ILE  64 -12.959 -19.294   4.732
  573   HD13  ILE  64          HD13      ILE  64 -13.696 -20.376   5.942
  574    H    LYS  65           H        LYS  65 -15.786 -18.473  10.566
  575    HA   LYS  65           HA       LYS  65 -18.475 -17.388  10.615
  576    HB2  LYS  65           HB2      LYS  65 -18.702 -18.362  12.864
  577    HB3  LYS  65           HB3      LYS  65 -18.167 -19.485  11.613
  578    HG2  LYS  65           HG2      LYS  65 -15.862 -19.312  12.406
  579    HG3  LYS  65           HG3      LYS  65 -16.342 -18.214  13.696
  580    HD2  LYS  65           HD2      LYS  65 -17.682 -20.926  13.425
  581    HD3  LYS  65           HD3      LYS  65 -16.049 -20.868  14.046
  582    HE2  LYS  65           HE2      LYS  65 -18.400 -19.359  15.284
  583    HE3  LYS  65           HE3      LYS  65 -17.805 -20.938  15.804
  584    HZ1  LYS  65           HZ1      LYS  65 -16.349 -18.361  16.001
  585    HZ2  LYS  65           HZ2      LYS  65 -16.733 -19.397  17.199
  586    HZ3  LYS  65           HZ3      LYS  65 -15.563 -19.788  16.108
  587    H    ILE  66           H        ILE  66 -15.490 -16.191  12.265
  588    HA   ILE  66           HA       ILE  66 -17.044 -14.085  13.566
  589    HB   ILE  66           HB       ILE  66 -15.032 -14.642  14.602
  590   HG12  ILE  66          HG12      ILE  66 -15.866 -12.215  14.593
  591   HG13  ILE  66          HG13      ILE  66 -14.282 -12.588  15.238
  592   HG21  ILE  66          HG21      ILE  66 -13.455 -13.759  12.155
  593   HG22  ILE  66          HG22      ILE  66 -12.775 -14.101  13.762
  594   HG23  ILE  66          HG23      ILE  66 -13.561 -15.384  12.855
  595   HD11  ILE  66          HD11      ILE  66 -14.749 -11.290  12.521
  596   HD12  ILE  66          HD12      ILE  66 -14.227 -10.493  14.008
  597   HD13  ILE  66          HD13      ILE  66 -13.180 -11.684  13.237
  598    H    ILE  67           H        ILE  67 -15.245 -14.141  10.439
  599    HA   ILE  67           HA       ILE  67 -15.935 -11.437   9.751
  600    HB   ILE  67           HB       ILE  67 -14.985 -13.836   8.226
  601   HG12  ILE  67          HG12      ILE  67 -13.200 -12.320   7.533
  602   HG13  ILE  67          HG13      ILE  67 -14.040 -10.931   8.222
  603   HG21  ILE  67          HG21      ILE  67 -15.049 -12.620   6.079
  604   HG22  ILE  67          HG22      ILE  67 -16.679 -12.950   6.668
  605   HG23  ILE  67          HG23      ILE  67 -15.997 -11.317   6.831
  606   HD11  ILE  67          HD11      ILE  67 -12.878 -13.227   9.835
  607   HD12  ILE  67          HD12      ILE  67 -12.100 -11.686   9.561
  608   HD13  ILE  67          HD13      ILE  67 -13.605 -11.734  10.489
  609    H    ARG  68           H        ARG  68 -17.784 -14.470   9.020
  610    HA   ARG  68           HA       ARG  68 -19.941 -13.223   7.668
  611    HB2  ARG  68           HB2      ARG  68 -19.627 -15.671   7.773
  612    HB3  ARG  68           HB3      ARG  68 -19.976 -15.667   9.505
  613    HG2  ARG  68           HG2      ARG  68 -22.255 -14.769   9.024
  614    HG3  ARG  68           HG3      ARG  68 -21.921 -14.862   7.294
  615    HD2  ARG  68           HD2      ARG  68 -21.652 -17.352   8.970
  616    HD3  ARG  68           HD3      ARG  68 -23.264 -16.727   8.681
  617    HE   ARG  68           HE       ARG  68 -21.494 -18.024   6.750
  618   HH11  ARG  68          HH11      ARG  68 -24.332 -15.926   6.918
  619   HH12  ARG  68          HH12      ARG  68 -25.035 -16.621   5.485
  620   HH21  ARG  68          HH21      ARG  68 -22.485 -18.852   4.913
  621   HH22  ARG  68          HH22      ARG  68 -24.039 -18.243   4.435
  622    H    ARG  69           H        ARG  69 -19.581 -13.699  11.199
  623    HA   ARG  69           HA       ARG  69 -22.022 -12.335  11.909
  624    HB2  ARG  69           HB2      ARG  69 -20.985 -13.896  13.416
  625    HB3  ARG  69           HB3      ARG  69 -19.499 -12.970  13.482
  626    HG2  ARG  69           HG2      ARG  69 -20.904 -12.773  15.524
  627    HG3  ARG  69           HG3      ARG  69 -20.491 -11.233  14.796
  628    HD2  ARG  69           HD2      ARG  69 -22.815 -11.337  15.655
  629    HD3  ARG  69           HD3      ARG  69 -22.723 -10.919  13.953
  630    HE   ARG  69           HE       ARG  69 -23.266 -13.735  14.830
  631   HH11  ARG  69          HH11      ARG  69 -24.575 -10.873  13.156
  632   HH12  ARG  69          HH12      ARG  69 -25.853 -11.861  12.466
  633   HH21  ARG  69          HH21      ARG  69 -24.995 -14.794  13.875
  634   HH22  ARG  69          HH22      ARG  69 -26.097 -13.873  12.866
  635    H    ARG  70           H        ARG  70 -18.643 -11.045  11.731
  636    HA   ARG  70           HA       ARG  70 -19.482  -8.356  12.473
  637    HB2  ARG  70           HB2      ARG  70 -17.015  -9.274  10.926
  638    HB3  ARG  70           HB3      ARG  70 -17.276  -7.646  11.558
  639    HG2  ARG  70           HG2      ARG  70 -16.908 -10.189  13.174
  640    HG3  ARG  70           HG3      ARG  70 -15.825  -8.816  13.060
  641    HD2  ARG  70           HD2      ARG  70 -17.623  -7.427  14.209
  642    HD3  ARG  70           HD3      ARG  70 -18.542  -8.920  14.424
  643    HE   ARG  70           HE       ARG  70 -16.950  -9.767  15.937
  644   HH11  ARG  70          HH11      ARG  70 -16.184  -6.404  15.173
  645   HH12  ARG  70          HH12      ARG  70 -14.795  -6.443  16.263
  646   HH21  ARG  70          HH21      ARG  70 -15.231  -9.546  17.436
  647   HH22  ARG  70          HH22      ARG  70 -14.442  -7.964  17.511
  648    H    LEU  71           H        LEU  71 -19.376  -9.912   9.293
  649    HA   LEU  71           HA       LEU  71 -20.305  -7.497   7.921
  650    HB2  LEU  71           HB2      LEU  71 -20.300 -10.423   7.094
  651    HB3  LEU  71           HB3      LEU  71 -20.717  -9.084   6.033
  652    HG   LEU  71           HG       LEU  71 -17.957  -9.491   7.265
  653   HD11  LEU  71          HD11      LEU  71 -18.549 -11.231   5.613
  654   HD12  LEU  71          HD12      LEU  71 -18.997  -9.969   4.435
  655   HD13  LEU  71          HD13      LEU  71 -17.312 -10.131   4.969
  656   HD21  LEU  71          HD21      LEU  71 -18.364  -7.135   6.788
  657   HD22  LEU  71          HD22      LEU  71 -17.244  -7.814   5.607
  658   HD23  LEU  71          HD23      LEU  71 -18.932  -7.541   5.143
  659    H    GLN  72           H        GLN  72 -21.875  -9.449  10.121
  660    HA   GLN  72           HA       GLN  72 -23.936  -9.957  10.713
  661    HB2  GLN  72           HB2      GLN  72 -24.687  -7.392   9.285
  662    HB3  GLN  72           HB3      GLN  72 -25.679  -8.223  10.471
  663    HG2  GLN  72           HG2      GLN  72 -22.934  -7.019  11.036
  664    HG3  GLN  72           HG3      GLN  72 -24.475  -6.275  11.412
  665   HE21  GLN  72          HE21      GLN  72 -23.440  -7.689  14.613
  666   HE22  GLN  72          HE22      GLN  72 -22.993  -6.361  13.552
  667    H    LEU  73           H        LEU  73 -23.142 -11.338   8.419
  668    HA   LEU  73           HA       LEU  73 -25.598 -11.597   6.746
  669    HB2  LEU  73           HB2      LEU  73 -22.843 -12.834   6.405
  670    HB3  LEU  73           HB3      LEU  73 -24.169 -12.904   5.245
  671    HG   LEU  73           HG       LEU  73 -22.724 -10.375   6.151
  672   HD11  LEU  73          HD11      LEU  73 -21.309 -11.847   4.799
  673   HD12  LEU  73          HD12      LEU  73 -22.539 -11.808   3.495
  674   HD13  LEU  73          HD13      LEU  73 -21.690 -10.325   3.977
  675   HD21  LEU  73          HD21      LEU  73 -24.739 -10.727   3.894
  676   HD22  LEU  73          HD22      LEU  73 -25.036  -9.857   5.423
  677   HD23  LEU  73          HD23      LEU  73 -23.840  -9.244   4.282
  678    H    ASN  74           H        ASN  74 -26.906 -12.460   8.415
  679    HA   ASN  74           HA       ASN  74 -26.313 -14.683  10.039
  680    HB2  ASN  74           HB2      ASN  74 -28.963 -13.596   8.987
  681    HB3  ASN  74           HB3      ASN  74 -28.867 -14.825  10.248
  682   HD21  ASN  74          HD21      ASN  74 -29.128 -11.397  11.801
  683   HD22  ASN  74          HD22      ASN  74 -30.039 -12.158  10.503
  684    H    ALA  75           H        ALA  75 -27.529 -16.838  10.057
  685    HA   ALA  75           HA       ALA  75 -26.429 -18.473   8.120
  686    HB1  ALA  75           HB1      ALA  75 -27.882 -20.225   9.088
  687    HB2  ALA  75           HB2      ALA  75 -27.232 -19.170  10.359
  688    HB3  ALA  75           HB3      ALA  75 -28.917 -18.978   9.818
  689    H    ASN  76           H        ASN  76 -29.696 -17.067   7.991
  690    HA   ASN  76           HA       ASN  76 -30.634 -18.543   5.696
  691    HB2  ASN  76           HB2      ASN  76 -32.084 -17.484   7.388
  692    HB3  ASN  76           HB3      ASN  76 -31.470 -15.887   6.954
  693   HD21  ASN  76          HD21      ASN  76 -34.004 -15.515   4.554
  694   HD22  ASN  76          HD22      ASN  76 -32.907 -14.778   5.715
  695    H    GLN  77           H        GLN  77 -28.534 -15.744   5.964
  696    HA   GLN  77           HA       GLN  77 -28.985 -14.799   3.212
  697    HB2  GLN  77           HB2      GLN  77 -28.704 -13.139   4.925
  698    HB3  GLN  77           HB3      GLN  77 -27.221 -13.879   5.504
  699    HG2  GLN  77           HG2      GLN  77 -26.771 -11.841   4.276
  700    HG3  GLN  77           HG3      GLN  77 -25.999 -13.233   3.522
  701   HE21  GLN  77          HE21      GLN  77 -27.439 -12.334   0.403
  702   HE22  GLN  77          HE22      GLN  77 -26.077 -13.044   1.268
  703    H    ALA  78           H        ALA  78 -27.859 -15.457   1.483
  704    HA   ALA  78           HA       ALA  78 -25.808 -17.451   1.587
  705    HB1  ALA  78           HB1      ALA  78 -26.614 -15.555  -0.664
  706    HB2  ALA  78           HB2      ALA  78 -25.620 -17.022  -0.832
  707    HB3  ALA  78           HB3      ALA  78 -27.313 -17.160  -0.330
  708    H    PHE  79           H        PHE  79 -23.627 -17.308   1.654
  709    HA   PHE  79           HA       PHE  79 -22.144 -14.939   1.019
  710    HB2  PHE  79           HB2      PHE  79 -22.662 -13.991   3.035
  711    HB3  PHE  79           HB3      PHE  79 -22.675 -15.514   3.891
  712    HD1  PHE  79           HD1      PHE  79 -20.435 -12.884   2.500
  713    HD2  PHE  79           HD2      PHE  79 -20.677 -16.484   4.858
  714    HE1  PHE  79           HE1      PHE  79 -18.125 -12.512   3.335
  715    HE2  PHE  79           HE2      PHE  79 -18.354 -16.132   5.634
  716    HZ   PHE  79           HZ       PHE  79 -17.070 -14.159   4.849
  717    H    PHE  80           H        PHE  80 -20.090 -15.248   0.460
  718    HA   PHE  80           HA       PHE  80 -18.689 -17.684   1.411
  719    HB2  PHE  80           HB2      PHE  80 -18.950 -16.784  -1.459
  720    HB3  PHE  80           HB3      PHE  80 -17.768 -17.956  -0.892
  721    HD1  PHE  80           HD1      PHE  80 -18.445 -20.189  -0.048
  722    HD2  PHE  80           HD2      PHE  80 -21.306 -17.405  -1.653
  723    HE1  PHE  80           HE1      PHE  80 -20.086 -22.036  -0.327
  724    HE2  PHE  80           HE2      PHE  80 -22.952 -19.249  -1.936
  725    HZ   PHE  80           HZ       PHE  80 -22.333 -21.570  -1.282
  726    H    LEU  81           H        LEU  81 -16.716 -17.375   2.169
  727    HA   LEU  81           HA       LEU  81 -15.254 -14.857   1.558
  728    HB2  LEU  81           HB2      LEU  81 -15.545 -15.619   3.909
  729    HB3  LEU  81           HB3      LEU  81 -14.665 -17.087   3.519
  730    HG   LEU  81           HG       LEU  81 -13.379 -15.420   4.800
  731   HD11  LEU  81          HD11      LEU  81 -12.027 -15.711   2.104
  732   HD12  LEU  81          HD12      LEU  81 -11.324 -15.648   3.718
  733   HD13  LEU  81          HD13      LEU  81 -12.256 -17.074   3.239
  734   HD21  LEU  81          HD21      LEU  81 -14.292 -13.343   3.772
  735   HD22  LEU  81          HD22      LEU  81 -12.520 -13.383   3.859
  736   HD23  LEU  81          HD23      LEU  81 -13.331 -13.671   2.310
  737    H    LEU  82           H        LEU  82 -13.889 -14.854  -0.028
  738    HA   LEU  82           HA       LEU  82 -13.080 -17.378  -1.357
  739    HB2  LEU  82           HB2      LEU  82 -13.415 -14.580  -2.465
  740    HB3  LEU  82           HB3      LEU  82 -13.103 -16.036  -3.391
  741    HG   LEU  82           HG       LEU  82 -15.658 -15.353  -1.881
  742   HD11  LEU  82          HD11      LEU  82 -15.395 -14.137  -3.996
  743   HD12  LEU  82          HD12      LEU  82 -15.023 -15.656  -4.851
  744   HD13  LEU  82          HD13      LEU  82 -16.632 -15.389  -4.161
  745   HD21  LEU  82          HD21      LEU  82 -16.554 -17.415  -2.962
  746   HD22  LEU  82          HD22      LEU  82 -14.909 -17.822  -3.491
  747   HD23  LEU  82          HD23      LEU  82 -15.325 -17.768  -1.753
  748    H    VAL  83           H        VAL  83 -11.102 -17.810  -0.366
  749    HA   VAL  83           HA       VAL  83  -8.974 -15.770  -0.240
  750    HB   VAL  83           HB       VAL  83  -8.651 -18.760   0.065
  751   HG11  VAL  83          HG11      VAL  83  -6.598 -18.127   1.269
  752   HG12  VAL  83          HG12      VAL  83  -6.547 -17.550  -0.397
  753   HG13  VAL  83          HG13      VAL  83  -6.901 -16.410   0.919
  754   HG21  VAL  83          HG21      VAL  83 -10.204 -18.012   1.801
  755   HG22  VAL  83          HG22      VAL  83  -8.607 -18.267   2.524
  756   HG23  VAL  83          HG23      VAL  83  -9.176 -16.620   2.169
  757    H    ASN  84           H        ASN  84  -7.613 -15.260  -1.878
  758    HA   ASN  84           HA       ASN  84  -7.124 -14.980  -4.101
  759    HB2  ASN  84           HB2      ASN  84  -5.515 -16.692  -3.185
  760    HB3  ASN  84           HB3      ASN  84  -6.509 -17.957  -3.914
  761   HD21  ASN  84          HD21      ASN  84  -3.929 -17.515  -6.387
  762   HD22  ASN  84          HD22      ASN  84  -4.293 -18.343  -4.861
  763    H    GLY  85           H        GLY  85  -9.785 -15.022  -3.882
  764    HA2  GLY  85           HA2      GLY  85 -11.640 -15.003  -5.197
  765    HA3  GLY  85           HA3      GLY  85 -10.686 -15.670  -6.526
  766    H    HIS  86           H        HIS  86 -10.616 -17.850  -3.862
  767    HA   HIS  86           HA       HIS  86 -12.972 -19.372  -4.924
  768    HB2  HIS  86           HB2      HIS  86 -10.178 -20.435  -4.356
  769    HB3  HIS  86           HB3      HIS  86 -11.567 -21.418  -4.806
  770    HD1  HIS  86           HD1      HIS  86  -9.045 -18.961  -6.357
  771    HD2  HIS  86           HD2      HIS  86 -12.583 -21.053  -7.348
  772    HE1  HIS  86           HE1      HIS  86  -9.289 -18.809  -8.911
  773    HE2  HIS  86           HE2      HIS  86 -11.445 -20.057  -9.524
  774    H    SER  87           H        SER  87 -14.191 -20.571  -3.536
  775    HA   SER  87           HA       SER  87 -14.374 -19.632  -0.883
  776    HB2  SER  87           HB2      SER  87 -16.297 -20.449  -2.063
  777    HB3  SER  87           HB3      SER  87 -15.590 -22.080  -2.180
  778    HG   SER  87           HG       SER  87 -16.950 -22.122  -0.438
  779    H    MET  88           H        MET  88 -13.756 -20.256   1.059
  780    HA   MET  88           HA       MET  88 -12.321 -22.870   1.426
  781    HB2  MET  88           HB2      MET  88 -11.631 -20.210   2.714
  782    HB3  MET  88           HB3      MET  88 -10.829 -21.747   3.037
  783    HG2  MET  88           HG2      MET  88 -10.826 -20.250   0.397
  784    HG3  MET  88           HG3      MET  88  -9.504 -20.366   1.553
  785    HE1  MET  88           HE1      MET  88  -7.942 -20.959  -0.585
  786    HE2  MET  88           HE2      MET  88  -8.321 -22.297  -1.688
  787    HE3  MET  88           HE3      MET  88  -9.400 -20.887  -1.606
  788    H    VAL  89           H        VAL  89 -15.246 -21.989   2.009
  789    HA   VAL  89           HA       VAL  89 -15.492 -21.626   4.819
  790    HB   VAL  89           HB       VAL  89 -17.828 -21.920   4.621
  791   HG11  VAL  89          HG11      VAL  89 -16.891 -19.853   3.628
  792   HG12  VAL  89          HG12      VAL  89 -16.856 -20.632   2.033
  793   HG13  VAL  89          HG13      VAL  89 -18.402 -20.359   2.858
  794   HG21  VAL  89          HG21      VAL  89 -18.938 -22.720   2.573
  795   HG22  VAL  89          HG22      VAL  89 -17.368 -23.168   1.883
  796   HG23  VAL  89          HG23      VAL  89 -17.986 -23.997   3.332
  797    H    SER  90           H        SER  90 -15.070 -24.660   3.157
  798    HA   SER  90           HA       SER  90 -15.759 -26.212   5.584
  799    HB2  SER  90           HB2      SER  90 -14.791 -27.094   2.841
  800    HB3  SER  90           HB3      SER  90 -15.283 -28.168   4.165
  801    HG   SER  90           HG       SER  90 -17.008 -27.778   2.692
  802    H    VAL  91           H        VAL  91 -13.013 -24.493   4.850
  803    HA   VAL  91           HA       VAL  91 -11.022 -26.618   5.181
  804    HB   VAL  91           HB       VAL  91 -10.729 -23.620   4.830
  805   HG11  VAL  91          HG11      VAL  91  -8.592 -25.800   4.779
  806   HG12  VAL  91          HG12      VAL  91  -8.366 -24.118   4.256
  807   HG13  VAL  91          HG13      VAL  91  -8.718 -24.444   5.947
  808   HG21  VAL  91          HG21      VAL  91 -10.334 -25.955   2.902
  809   HG22  VAL  91          HG22      VAL  91 -11.667 -24.786   2.852
  810   HG23  VAL  91          HG23      VAL  91 -10.014 -24.244   2.549
  811    H    SER  92           H        SER  92 -10.422 -27.414   7.050
  812    HA   SER  92           HA       SER  92 -10.605 -25.916   9.579
  813    HB2  SER  92           HB2      SER  92 -10.065 -28.109  10.567
  814    HB3  SER  92           HB3      SER  92 -11.437 -28.194   9.451
  815    HG   SER  92           HG       SER  92  -9.923 -29.906   9.086
  816    H    THR  93           H        THR  93  -8.142 -26.293   7.240
  817    HA   THR  93           HA       THR  93  -5.938 -26.646   8.953
  818    HB   THR  93           HB       THR  93  -6.106 -27.019   6.427
  819    HG1  THR  93           HG1      THR  93  -3.897 -27.135   6.428
  820   HG21  THR  93          HG21      THR  93  -4.656 -24.334   6.414
  821   HG22  THR  93          HG22      THR  93  -4.994 -25.401   5.034
  822   HG23  THR  93          HG23      THR  93  -6.320 -24.540   5.841
  823    HA   PRO  94           HA       PRO  94  -5.043 -22.778  10.855
  824    HB2  PRO  94           HB2      PRO  94  -2.130 -23.359  10.336
  825    HB3  PRO  94           HB3      PRO  94  -2.934 -22.850  11.854
  826    HG2  PRO  94           HG2      PRO  94  -2.246 -25.435  11.508
  827    HG3  PRO  94           HG3      PRO  94  -3.863 -25.031  12.183
  828    HD2  PRO  94           HD2      PRO  94  -3.145 -25.726   9.325
  829    HD3  PRO  94           HD3      PRO  94  -4.458 -26.382  10.353
  830    H    ILE  95           H        ILE  95  -4.575 -20.626  10.423
  831    HA   ILE  95           HA       ILE  95  -4.723 -19.800   7.733
  832    HB   ILE  95           HB       ILE  95  -5.617 -18.580   9.691
  833   HG12  ILE  95          HG12      ILE  95  -4.984 -16.255   9.077
  834   HG13  ILE  95          HG13      ILE  95  -3.709 -16.865   8.029
  835   HG21  ILE  95          HG21      ILE  95  -3.709 -18.835  11.262
  836   HG22  ILE  95          HG22      ILE  95  -2.734 -17.736  10.261
  837   HG23  ILE  95          HG23      ILE  95  -4.182 -17.156  11.084
  838   HD11  ILE  95          HD11      ILE  95  -6.686 -17.507   7.747
  839   HD12  ILE  95          HD12      ILE  95  -5.824 -16.248   6.846
  840   HD13  ILE  95          HD13      ILE  95  -5.399 -17.954   6.596
  841    H    SER  96           H        SER  96  -1.826 -20.348   9.659
  842    HA   SER  96           HA       SER  96   0.072 -18.935   8.027
  843    HB2  SER  96           HB2      SER  96   1.693 -20.488   9.146
  844    HB3  SER  96           HB3      SER  96   0.638 -19.594  10.256
  845    HG   SER  96           HG       SER  96   0.826 -21.912  10.707
  846    H    GLU  97           H        GLU  97  -1.204 -22.285   7.865
  847    HA   GLU  97           HA       GLU  97   0.472 -23.150   5.670
  848    HB2  GLU  97           HB2      GLU  97  -2.289 -24.129   6.510
  849    HB3  GLU  97           HB3      GLU  97  -1.197 -24.972   5.431
  850    HG2  GLU  97           HG2      GLU  97  -0.676 -24.367   8.381
  851    HG3  GLU  97           HG3      GLU  97  -1.249 -25.894   7.729
  852    H    VAL  98           H        VAL  98  -2.786 -21.696   5.821
  853    HA   VAL  98           HA       VAL  98  -3.171 -21.592   2.963
  854    HB   VAL  98           HB       VAL  98  -4.477 -19.729   4.959
  855   HG11  VAL  98          HG11      VAL  98  -5.402 -20.826   2.261
  856   HG12  VAL  98          HG12      VAL  98  -6.311 -19.722   3.322
  857   HG13  VAL  98          HG13      VAL  98  -4.813 -19.172   2.549
  858   HG21  VAL  98          HG21      VAL  98  -6.326 -21.503   4.863
  859   HG22  VAL  98          HG22      VAL  98  -5.126 -22.602   4.191
  860   HG23  VAL  98          HG23      VAL  98  -4.911 -21.922   5.824
  861    H    TYR  99           H        TYR  99  -1.694 -19.252   5.233
  862    HA   TYR  99           HA       TYR  99  -1.093 -17.285   3.290
  863    HB2  TYR  99           HB2      TYR  99  -0.843 -16.461   5.319
  864    HB3  TYR  99           HB3      TYR  99  -0.116 -17.898   6.001
  865    HD1  TYR  99           HD1      TYR  99   0.601 -14.779   4.082
  866    HD2  TYR  99           HD2      TYR  99   2.257 -18.279   6.013
  867    HE1  TYR  99           HE1      TYR  99   2.875 -13.773   4.001
  868    HE2  TYR  99           HE2      TYR  99   4.520 -17.259   5.915
  869    HH   TYR  99           HH       TYR  99   5.142 -14.144   4.279
  870    H    GLU 100           H        GLU 100   1.067 -19.993   4.225
  871    HA   GLU 100           HA       GLU 100   3.051 -19.384   2.285
  872    HB2  GLU 100           HB2      GLU 100   3.382 -20.865   4.179
  873    HB3  GLU 100           HB3      GLU 100   2.230 -22.044   3.528
  874    HG2  GLU 100           HG2      GLU 100   3.667 -22.501   1.626
  875    HG3  GLU 100           HG3      GLU 100   4.757 -21.183   2.069
  876    H    SER 101           H        SER 101  -0.020 -21.104   1.907
  877    HA   SER 101           HA       SER 101   0.576 -22.048  -0.793
  878    HB2  SER 101           HB2      SER 101  -2.017 -21.990   0.788
  879    HB3  SER 101           HB3      SER 101  -1.766 -22.802  -0.767
  880    HG   SER 101           HG       SER 101  -0.591 -23.396   1.751
  881    H    GLU 102           H        GLU 102  -1.325 -19.308   0.525
  882    HA   GLU 102           HA       GLU 102  -2.017 -18.451  -2.261
  883    HB2  GLU 102           HB2      GLU 102  -3.704 -18.272   0.252
  884    HB3  GLU 102           HB3      GLU 102  -4.191 -17.738  -1.348
  885    HG2  GLU 102           HG2      GLU 102  -3.664 -20.607  -0.486
  886    HG3  GLU 102           HG3      GLU 102  -5.225 -19.858  -0.745
  887    H    LYS 103           H        LYS 103   0.110 -17.331  -0.103
  888    HA   LYS 103           HA       LYS 103  -0.538 -14.562   0.030
  889    HB2  LYS 103           HB2      LYS 103   1.715 -14.078   0.395
  890    HB3  LYS 103           HB3      LYS 103   1.422 -15.594   1.195
  891    HG2  LYS 103           HG2      LYS 103   2.934 -15.130  -1.412
  892    HG3  LYS 103           HG3      LYS 103   3.608 -15.546   0.160
  893    HD2  LYS 103           HD2      LYS 103   2.467 -17.763   0.050
  894    HD3  LYS 103           HD3      LYS 103   1.904 -17.366  -1.586
  895    HE2  LYS 103           HE2      LYS 103   4.314 -17.033  -2.264
  896    HE3  LYS 103           HE3      LYS 103   4.799 -17.576  -0.653
  897    HZ1  LYS 103           HZ1      LYS 103   3.331 -19.192  -2.687
  898    HZ2  LYS 103           HZ2      LYS 103   4.858 -19.448  -2.164
  899    HZ3  LYS 103           HZ3      LYS 103   3.593 -19.711  -1.152
  900    H    ASP 104           H        ASP 104  -0.455 -12.872  -1.337
  901    HA   ASP 104           HA       ASP 104  -0.297 -13.443  -4.236
  902    HB2  ASP 104           HB2      ASP 104  -2.139 -12.166  -3.122
  903    HB3  ASP 104           HB3      ASP 104  -0.975 -10.892  -2.734
  904    H    GLU 105           H        GLU 105   0.758 -11.391  -5.419
  905    HA   GLU 105           HA       GLU 105   3.374 -11.896  -5.684
  906    HB2  GLU 105           HB2      GLU 105   1.982 -10.599  -7.233
  907    HB3  GLU 105           HB3      GLU 105   1.975  -9.236  -6.115
  908    HG2  GLU 105           HG2      GLU 105   3.466  -8.741  -7.908
  909    HG3  GLU 105           HG3      GLU 105   4.399  -8.907  -6.432
  910    H    ASP 106           H        ASP 106   2.250  -9.344  -3.456
  911    HA   ASP 106           HA       ASP 106   5.020  -9.047  -2.503
  912    HB2  ASP 106           HB2      ASP 106   2.963  -6.947  -2.829
  913    HB3  ASP 106           HB3      ASP 106   4.233  -6.756  -1.635
  914    H    GLY 107           H        GLY 107   3.231 -11.100  -1.594
  915    HA2  GLY 107           HA2      GLY 107   3.663 -12.391   0.273
  916    HA3  GLY 107           HA3      GLY 107   4.357 -11.005   1.103
  917    H    PHE 108           H        PHE 108   1.366  -9.838   0.262
  918    HA   PHE 108           HA       PHE 108   0.177 -10.581   2.830
  919    HB2  PHE 108           HB2      PHE 108  -1.792  -9.214   2.051
  920    HB3  PHE 108           HB3      PHE 108  -0.274  -8.402   2.373
  921    HD1  PHE 108           HD1      PHE 108   0.946  -7.206   0.638
  922    HD2  PHE 108           HD2      PHE 108  -2.530  -9.576  -0.338
  923    HE1  PHE 108           HE1      PHE 108   0.899  -6.207  -1.627
  924    HE2  PHE 108           HE2      PHE 108  -2.589  -8.545  -2.593
  925    HZ   PHE 108           HZ       PHE 108  -0.883  -6.874  -3.244
  926    H    LEU 109           H        LEU 109  -1.534 -11.930   3.331
  927    HA   LEU 109           HA       LEU 109  -2.295 -13.894   1.278
  928    HB2  LEU 109           HB2      LEU 109  -1.940 -14.669   3.523
  929    HB3  LEU 109           HB3      LEU 109  -3.084 -13.491   4.165
  930    HG   LEU 109           HG       LEU 109  -4.965 -14.642   3.092
  931   HD11  LEU 109          HD11      LEU 109  -3.946 -15.564   1.061
  932   HD12  LEU 109          HD12      LEU 109  -2.856 -16.578   2.031
  933   HD13  LEU 109          HD13      LEU 109  -4.605 -16.871   2.033
  934   HD21  LEU 109          HD21      LEU 109  -4.899 -16.721   4.393
  935   HD22  LEU 109          HD22      LEU 109  -3.142 -16.597   4.555
  936   HD23  LEU 109          HD23      LEU 109  -4.187 -15.388   5.330
  937    H    TYR 110           H        TYR 110  -3.731 -13.440  -0.221
  938    HA   TYR 110           HA       TYR 110  -5.563 -11.191   0.133
  939    HB2  TYR 110           HB2      TYR 110  -4.311 -10.868  -1.703
  940    HB3  TYR 110           HB3      TYR 110  -4.354 -12.550  -2.187
  941    HD1  TYR 110           HD1      TYR 110  -5.549 -13.134  -4.048
  942    HD2  TYR 110           HD2      TYR 110  -6.727  -9.639  -1.810
  943    HE1  TYR 110           HE1      TYR 110  -7.266 -12.612  -5.777
  944    HE2  TYR 110           HE2      TYR 110  -8.438  -9.108  -3.548
  945    HH   TYR 110           HH       TYR 110  -8.817 -11.070  -6.520
  946    H    MET 111           H        MET 111  -7.634 -11.171   0.565
  947    HA   MET 111           HA       MET 111  -9.292 -13.536  -0.199
  948    HB2  MET 111           HB2      MET 111  -9.644 -11.957   2.380
  949    HB3  MET 111           HB3      MET 111 -10.466 -13.430   1.885
  950    HG2  MET 111           HG2      MET 111  -8.216 -14.605   2.028
  951    HG3  MET 111           HG3      MET 111  -7.576 -13.129   2.764
  952    HE1  MET 111           HE1      MET 111  -7.863 -15.897   5.606
  953    HE2  MET 111           HE2      MET 111  -7.566 -16.181   3.880
  954    HE3  MET 111           HE3      MET 111  -6.732 -14.857   4.723
  955    H    VAL 112           H        VAL 112 -11.340 -13.109  -0.944
  956    HA   VAL 112           HA       VAL 112 -12.397 -10.379  -0.624
  957    HB   VAL 112           HB       VAL 112 -13.296 -10.233  -2.853
  958   HG11  VAL 112          HG11      VAL 112 -10.989  -9.399  -2.478
  959   HG12  VAL 112          HG12      VAL 112 -10.362 -10.961  -3.063
  960   HG13  VAL 112          HG13      VAL 112 -11.283  -9.907  -4.151
  961   HG21  VAL 112          HG21      VAL 112 -13.726 -12.538  -3.410
  962   HG22  VAL 112          HG22      VAL 112 -12.695 -11.801  -4.641
  963   HG23  VAL 112          HG23      VAL 112 -11.975 -12.898  -3.442
  964    H    TYR 113           H        TYR 113 -14.897 -10.322  -0.981
  965    HA   TYR 113           HA       TYR 113 -16.044 -13.021  -0.464
  966    HB2  TYR 113           HB2      TYR 113 -17.606 -12.161   1.195
  967    HB3  TYR 113           HB3      TYR 113 -15.933 -12.140   1.717
  968    HD1  TYR 113           HD1      TYR 113 -14.791 -10.048   2.245
  969    HD2  TYR 113           HD2      TYR 113 -18.773 -10.036   0.618
  970    HE1  TYR 113           HE1      TYR 113 -15.067  -7.664   2.918
  971    HE2  TYR 113           HE2      TYR 113 -19.040  -7.661   1.234
  972    HH   TYR 113           HH       TYR 113 -16.453  -5.849   2.987
  973    H    ALA 114           H        ALA 114 -18.180 -13.459  -0.988
  974    HA   ALA 114           HA       ALA 114 -19.711 -11.511  -2.575
  975    HB1  ALA 114           HB1      ALA 114 -19.473 -12.652  -4.673
  976    HB2  ALA 114           HB2      ALA 114 -17.851 -12.336  -4.062
  977    HB3  ALA 114           HB3      ALA 114 -18.524 -13.970  -3.924
  978    H    SER 115           H        SER 115 -21.641 -12.659  -3.642
  979    HA   SER 115           HA       SER 115 -22.995 -14.466  -1.780
  980    HB2  SER 115           HB2      SER 115 -23.789 -13.053  -4.342
  981    HB3  SER 115           HB3      SER 115 -24.854 -14.219  -3.522
  982    HG   SER 115           HG       SER 115 -25.350 -12.220  -2.705
  983    H    GLN 116           H        GLN 116 -20.636 -15.303  -3.777
  984    HA   GLN 116           HA       GLN 116 -21.788 -17.899  -4.595
  985    HB2  GLN 116           HB2      GLN 116 -20.988 -17.643  -6.876
  986    HB3  GLN 116           HB3      GLN 116 -22.224 -16.455  -6.518
  987    HG2  GLN 116           HG2      GLN 116 -19.271 -15.709  -6.371
  988    HG3  GLN 116           HG3      GLN 116 -20.108 -15.832  -7.906
  989   HE21  GLN 116          HE21      GLN 116 -20.471 -12.317  -7.211
  990   HE22  GLN 116          HE22      GLN 116 -19.276 -13.455  -7.844
  991    H    GLU 117           H        GLU 117 -20.266 -19.555  -4.930
  992    HA   GLU 117           HA       GLU 117 -17.995 -19.353  -3.191
  993    HB2  GLU 117           HB2      GLU 117 -17.662 -21.715  -3.707
  994    HB3  GLU 117           HB3      GLU 117 -19.354 -21.359  -3.340
  995    HG2  GLU 117           HG2      GLU 117 -19.861 -21.382  -5.789
  996    HG3  GLU 117           HG3      GLU 117 -18.173 -21.770  -6.121
  997    H    THR 118           H        THR 118 -18.138 -18.686  -6.545
  998    HA   THR 118           HA       THR 118 -15.234 -18.503  -6.789
  999    HB   THR 118           HB       THR 118 -15.687 -20.925  -7.191
 1000    HG1  THR 118           HG1      THR 118 -14.439 -20.957  -9.082
 1001   HG21  THR 118          HG21      THR 118 -16.689 -21.669  -9.264
 1002   HG22  THR 118          HG22      THR 118 -17.887 -20.687  -8.413
 1003   HG23  THR 118          HG23      THR 118 -17.002 -20.004  -9.792
 1004    H    PHE 119           H        PHE 119 -14.519 -17.732  -8.875
 1005    HA   PHE 119           HA       PHE 119 -16.539 -16.644 -10.665
 1006    HB2  PHE 119           HB2      PHE 119 -15.350 -14.455 -10.986
 1007    HB3  PHE 119           HB3      PHE 119 -16.407 -14.696  -9.629
 1008    HD1  PHE 119           HD1      PHE 119 -12.829 -14.504 -10.608
 1009    HD2  PHE 119           HD2      PHE 119 -15.670 -14.423  -7.368
 1010    HE1  PHE 119           HE1      PHE 119 -11.082 -13.587  -9.104
 1011    HE2  PHE 119           HE2      PHE 119 -13.931 -13.497  -5.868
 1012    HZ   PHE 119           HZ       PHE 119 -11.638 -13.049  -6.736
 1013    H    GLY 120           H        GLY 120 -14.610 -18.853 -10.676
 1014    HA2  GLY 120           HA2      GLY 120 -13.956 -20.071 -12.617
 1015    HA3  GLY 120           HA3      GLY 120 -13.735 -18.570 -13.513
 1016    H1   ASP  10           H1       ASP  10 -10.957   1.234  20.015
 1017    H2   ASP  10           H2       ASP  10 -11.076   0.708  18.464
 1018    H3   ASP  10           H3       ASP  10 -11.002  -0.378  19.689
 1019    HA   ASP  10           HA       ASP  10  -8.899   1.509  18.925
 1020    HB2  ASP  10           HB2      ASP  10  -8.826  -0.545  21.118
 1021    HB3  ASP  10           HB3      ASP  10  -7.378   0.139  20.386
 1022    H    TYR  11           H        TYR  11  -8.729  -2.065  19.243
 1023    HA   TYR  11           HA       TYR  11  -7.047  -2.023  16.923
 1024    HB2  TYR  11           HB2      TYR  11  -7.650  -4.182  18.882
 1025    HB3  TYR  11           HB3      TYR  11  -6.745  -4.492  17.409
 1026    HD1  TYR  11           HD1      TYR  11  -4.865  -2.604  16.837
 1027    HD2  TYR  11           HD2      TYR  11  -6.333  -3.648  20.768
 1028    HE1  TYR  11           HE1      TYR  11  -2.801  -1.658  17.872
 1029    HE2  TYR  11           HE2      TYR  11  -4.243  -2.750  21.782
 1030    HH   TYR  11           HH       TYR  11  -1.649  -1.251  19.811
 1031    H    GLU  12           H        GLU  12  -8.989  -1.143  15.729
 1032    HA   GLU  12           HA       GLU  12  -9.716  -3.353  13.842
 1033    HB2  GLU  12           HB2      GLU  12 -11.858  -2.276  13.427
 1034    HB3  GLU  12           HB3      GLU  12 -11.718  -2.807  15.091
 1035    HG2  GLU  12           HG2      GLU  12 -11.136   0.070  14.256
 1036    HG3  GLU  12           HG3      GLU  12 -12.778  -0.491  14.509
 1037    H    SER  13           H        SER  13  -7.827  -0.806  14.077
 1038    HA   SER  13           HA       SER  13  -6.892  -0.775  11.501
 1039    HB2  SER  13           HB2      SER  13  -8.935   0.431  10.747
 1040    HB3  SER  13           HB3      SER  13  -8.651   1.674  11.984
 1041    HG   SER  13           HG       SER  13  -6.930   1.047   9.770
 1042    H    ASP  14           H        ASP  14  -4.817  -0.269  11.974
 1043    HA   ASP  14           HA       ASP  14  -4.115   2.287  13.178
 1044    HB2  ASP  14           HB2      ASP  14  -4.556   0.554  15.115
 1045    HB3  ASP  14           HB3      ASP  14  -3.091  -0.220  14.545
 1046    H    ASP  15           H        ASP  15  -1.511   1.933  13.568
 1047    HA   ASP  15           HA       ASP  15  -0.266   0.654  11.167
 1048    HB2  ASP  15           HB2      ASP  15  -0.694   3.087  10.822
 1049    HB3  ASP  15           HB3      ASP  15   0.244   3.445  12.271
 1050    H    ASP  16           H        ASP  16   2.201   0.705  11.428
 1051    HA   ASP  16           HA       ASP  16   3.985  -0.218  12.331
 1052    HB2  ASP  16           HB2      ASP  16   4.471   1.729  13.356
 1053    HB3  ASP  16           HB3      ASP  16   3.221   1.550  14.576
 1054    H    SER  17           H        SER  17   2.377  -0.743  15.444
 1055    HA   SER  17           HA       SER  17   2.459  -3.696  14.954
 1056    HB2  SER  17           HB2      SER  17   4.418  -3.149  16.295
 1057    HB3  SER  17           HB3      SER  17   3.415  -2.232  17.433
 1058    HG   SER  17           HG       SER  17   3.314  -4.089  18.425
 1059    H    TYR  18           H        TYR  18   0.397  -4.373  14.961
 1060    HA   TYR  18           HA       TYR  18  -1.515  -3.484  17.002
 1061    HB2  TYR  18           HB2      TYR  18  -3.004  -2.392  15.408
 1062    HB3  TYR  18           HB3      TYR  18  -1.459  -1.603  15.431
 1063    HD1  TYR  18           HD1      TYR  18   0.218  -2.080  13.495
 1064    HD2  TYR  18           HD2      TYR  18  -3.967  -3.081  13.391
 1065    HE1  TYR  18           HE1      TYR  18   0.348  -2.274  11.020
 1066    HE2  TYR  18           HE2      TYR  18  -3.846  -3.215  10.877
 1067    HH   TYR  18           HH       TYR  18  -0.761  -2.915   9.101
 1068    H    GLU  19           H        GLU  19  -3.855  -4.125  16.047
 1069    HA   GLU  19           HA       GLU  19  -3.912  -6.681  14.616
 1070    HB2  GLU  19           HB2      GLU  19  -3.714  -6.917  17.254
 1071    HB3  GLU  19           HB3      GLU  19  -5.419  -6.509  17.248
 1072    HG2  GLU  19           HG2      GLU  19  -4.215  -8.757  15.566
 1073    HG3  GLU  19           HG3      GLU  19  -4.693  -9.002  17.234
 1074    H    VAL  20           H        VAL  20  -6.337  -7.168  14.073
 1075    HA   VAL  20           HA       VAL  20  -7.856  -4.657  13.679
 1076    HB   VAL  20           HB       VAL  20  -7.675  -6.313  11.259
 1077   HG11  VAL  20          HG11      VAL  20  -7.634  -3.311  11.693
 1078   HG12  VAL  20          HG12      VAL  20  -7.839  -4.146  10.145
 1079   HG13  VAL  20          HG13      VAL  20  -9.100  -4.279  11.372
 1080   HG21  VAL  20          HG21      VAL  20  -5.444  -4.416  12.021
 1081   HG22  VAL  20          HG22      VAL  20  -5.271  -6.164  11.767
 1082   HG23  VAL  20          HG23      VAL  20  -5.687  -5.119  10.405
 1083    H    LEU  21           H        LEU  21  -8.064  -8.015  14.238
 1084    HA   LEU  21           HA       LEU  21 -10.934  -8.337  13.671
 1085    HB2  LEU  21           HB2      LEU  21  -8.881  -9.939  15.224
 1086    HB3  LEU  21           HB3      LEU  21 -10.526 -10.486  14.957
 1087    HG   LEU  21           HG       LEU  21  -8.651  -9.943  12.631
 1088   HD11  LEU  21          HD11      LEU  21  -8.132 -12.365  12.658
 1089   HD12  LEU  21          HD12      LEU  21  -7.482 -11.510  14.069
 1090   HD13  LEU  21          HD13      LEU  21  -8.944 -12.517  14.226
 1091   HD21  LEU  21          HD21      LEU  21 -11.159 -10.310  12.263
 1092   HD22  LEU  21          HD22      LEU  21 -10.100 -11.466  11.441
 1093   HD23  LEU  21          HD23      LEU  21 -10.934 -11.937  12.935
 1094    H    ASP  22           H        ASP  22  -9.445  -6.349  15.778
 1095    HA   ASP  22           HA       ASP  22  -9.474  -5.705  17.847
 1096    HB2  ASP  22           HB2      ASP  22 -11.676  -4.965  18.760
 1097    HB3  ASP  22           HB3      ASP  22 -11.180  -4.395  17.185
 1098    H    LEU  23           H        LEU  23  -9.059  -8.540  17.818
 1099    HA   LEU  23           HA       LEU  23  -9.928  -9.189  20.608
 1100    HB2  LEU  23           HB2      LEU  23  -9.362 -11.560  20.063
 1101    HB3  LEU  23           HB3      LEU  23 -10.779 -10.844  19.329
 1102    HG   LEU  23           HG       LEU  23  -9.432 -10.531  17.203
 1103   HD11  LEU  23          HD11      LEU  23  -7.561 -12.095  16.823
 1104   HD12  LEU  23          HD12      LEU  23  -7.145 -10.908  18.054
 1105   HD13  LEU  23          HD13      LEU  23  -7.596 -12.567  18.535
 1106   HD21  LEU  23          HD21      LEU  23 -11.156 -12.254  17.451
 1107   HD22  LEU  23          HD22      LEU  23  -9.811 -12.858  16.488
 1108   HD23  LEU  23          HD23      LEU  23  -9.967 -13.350  18.188
 1109    H    THR  24           H        THR  24  -7.106  -8.498  18.677
 1110    HA   THR  24           HA       THR  24  -4.958  -8.290  19.235
 1111    HB   THR  24           HB       THR  24  -6.241  -6.368  20.126
 1112    HG1  THR  24           HG1      THR  24  -4.283  -5.434  20.683
 1113   HG21  THR  24          HG21      THR  24  -5.977  -5.716  22.398
 1114   HG22  THR  24          HG22      THR  24  -6.792  -7.281  22.408
 1115   HG23  THR  24          HG23      THR  24  -5.064  -7.171  22.815
 1116    H    GLU  25           H        GLU  25  -5.505 -10.908  19.697
 1117    HA   GLU  25           HA       GLU  25  -4.419 -11.877  22.143
 1118    HB2  GLU  25           HB2      GLU  25  -4.779 -13.142  19.409
 1119    HB3  GLU  25           HB3      GLU  25  -4.115 -14.043  20.762
 1120    HG2  GLU  25           HG2      GLU  25  -6.836 -12.677  20.775
 1121    HG3  GLU  25           HG3      GLU  25  -6.560 -14.372  20.396
 1122    H    TYR  26           H        TYR  26  -2.533 -13.075  22.567
 1123    HA   TYR  26           HA       TYR  26  -0.239 -11.614  22.331
 1124    HB2  TYR  26           HB2      TYR  26  -0.377 -12.969  24.147
 1125    HB3  TYR  26           HB3      TYR  26  -0.713 -14.408  23.201
 1126    HD1  TYR  26           HD1      TYR  26   1.975 -12.133  24.353
 1127    HD2  TYR  26           HD2      TYR  26   1.035 -15.768  22.222
 1128    HE1  TYR  26           HE1      TYR  26   4.363 -12.819  24.473
 1129    HE2  TYR  26           HE2      TYR  26   3.429 -16.461  22.349
 1130    HH   TYR  26           HH       TYR  26   5.929 -14.427  23.928
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -6.799   1.574   5.121
    2    H2   MET   1           H2       MET   1  -5.885   2.677   5.922
    3    H3   MET   1           H3       MET   1  -6.681   1.505   6.754
    4    HA   MET   1           HA       MET   1  -7.814   3.660   6.973
    5    HB2  MET   1           HB2      MET   1  -7.130   4.625   4.863
    6    HB3  MET   1           HB3      MET   1  -8.074   3.450   3.949
    7    HG2  MET   1           HG2      MET   1 -10.164   4.361   4.829
    8    HG3  MET   1           HG3      MET   1  -9.277   5.425   5.932
    9    HE1  MET   1           HE1      MET   1 -11.638   6.301   3.908
   10    HE2  MET   1           HE2      MET   1 -10.845   7.394   5.070
   11    HE3  MET   1           HE3      MET   1 -10.991   7.867   3.361
   12    HA   PRO   2           HA       PRO   2 -10.897   0.381   7.367
   13    HB2  PRO   2           HB2      PRO   2 -12.071   2.133   9.484
   14    HB3  PRO   2           HB3      PRO   2 -11.540   0.431   9.594
   15    HG2  PRO   2           HG2      PRO   2 -10.091   2.422  10.731
   16    HG3  PRO   2           HG3      PRO   2  -9.298   1.042   9.911
   17    HD2  PRO   2           HD2      PRO   2  -9.852   3.804   8.812
   18    HD3  PRO   2           HD3      PRO   2  -8.336   2.848   8.777
   19    H    SER   3           H        SER   3 -11.933   3.822   7.478
   20    HA   SER   3           HA       SER   3 -14.646   3.429   7.132
   21    HB2  SER   3           HB2      SER   3 -12.971   5.842   6.348
   22    HB3  SER   3           HB3      SER   3 -14.733   5.828   6.546
   23    HG   SER   3           HG       SER   3 -13.681   6.519   8.472
   24    H    GLU   4           H        GLU   4 -15.890   2.767   5.619
   25    HA   GLU   4           HA       GLU   4 -16.972   2.349   3.714
   26    HB2  GLU   4           HB2      GLU   4 -17.316   4.742   3.993
   27    HB3  GLU   4           HB3      GLU   4 -15.903   5.076   2.991
   28    HG2  GLU   4           HG2      GLU   4 -17.074   3.869   1.079
   29    HG3  GLU   4           HG3      GLU   4 -18.492   3.730   2.124
   30    H    LYS   5           H        LYS   5 -14.081   3.858   2.298
   31    HA   LYS   5           HA       LYS   5 -14.454   2.357  -0.195
   32    HB2  LYS   5           HB2      LYS   5 -12.360   4.409   0.645
   33    HB3  LYS   5           HB3      LYS   5 -12.554   3.764  -0.990
   34    HG2  LYS   5           HG2      LYS   5 -14.875   4.672  -1.069
   35    HG3  LYS   5           HG3      LYS   5 -14.647   5.372   0.547
   36    HD2  LYS   5           HD2      LYS   5 -12.800   6.780  -0.308
   37    HD3  LYS   5           HD3      LYS   5 -12.957   6.035  -1.899
   38    HE2  LYS   5           HE2      LYS   5 -14.019   8.164  -2.000
   39    HE3  LYS   5           HE3      LYS   5 -15.264   6.923  -2.113
   40    HZ1  LYS   5           HZ1      LYS   5 -14.620   8.416   0.389
   41    HZ2  LYS   5           HZ2      LYS   5 -15.872   8.751  -0.598
   42    HZ3  LYS   5           HZ3      LYS   5 -15.859   7.343   0.217
   43    H    THR   6           H        THR   6 -12.737   1.271  -1.327
   44    HA   THR   6           HA       THR   6 -11.285  -0.636   0.287
   45    HB   THR   6           HB       THR   6 -10.653  -1.790  -1.528
   46    HG1  THR   6           HG1      THR   6 -10.408  -0.830  -3.604
   47   HG21  THR   6          HG21      THR   6 -12.990  -0.305  -2.802
   48   HG22  THR   6          HG22      THR   6 -12.432  -1.951  -3.137
   49   HG23  THR   6          HG23      THR   6 -13.172  -1.586  -1.574
   50    H    PHE   7           H        PHE   7  -8.886  -1.057   0.123
   51    HA   PHE   7           HA       PHE   7  -7.538   1.263   1.142
   52    HB2  PHE   7           HB2      PHE   7  -5.553  -0.162   1.228
   53    HB3  PHE   7           HB3      PHE   7  -6.959  -0.998   1.850
   54    HD1  PHE   7           HD1      PHE   7  -7.672  -3.098   0.903
   55    HD2  PHE   7           HD2      PHE   7  -4.728  -0.683  -1.140
   56    HE1  PHE   7           HE1      PHE   7  -7.295  -4.928  -0.731
   57    HE2  PHE   7           HE2      PHE   7  -4.358  -2.522  -2.769
   58    HZ   PHE   7           HZ       PHE   7  -5.632  -4.649  -2.557
   59    H    LYS   8           H        LYS   8  -7.847   0.130  -2.176
   60    HA   LYS   8           HA       LYS   8  -5.325   0.990  -3.163
   61    HB2  LYS   8           HB2      LYS   8  -6.806  -0.654  -4.237
   62    HB3  LYS   8           HB3      LYS   8  -7.997   0.596  -4.574
   63    HG2  LYS   8           HG2      LYS   8  -6.778   0.021  -6.579
   64    HG3  LYS   8           HG3      LYS   8  -6.449   1.696  -6.151
   65    HD2  LYS   8           HD2      LYS   8  -4.263   0.950  -5.113
   66    HD3  LYS   8           HD3      LYS   8  -4.599  -0.695  -5.658
   67    HE2  LYS   8           HE2      LYS   8  -4.307   1.763  -7.456
   68    HE3  LYS   8           HE3      LYS   8  -3.025   0.606  -7.114
   69    HZ1  LYS   8           HZ1      LYS   8  -4.409  -1.136  -8.171
   70    HZ2  LYS   8           HZ2      LYS   8  -5.565  -0.039  -8.540
   71    HZ3  LYS   8           HZ3      LYS   8  -4.092   0.075  -9.215
   72    H    GLN   9           H        GLN   9  -8.105   2.899  -2.455
   73    HA   GLN   9           HA       GLN   9  -7.529   5.277  -3.922
   74    HB2  GLN   9           HB2      GLN   9  -9.639   4.866  -2.939
   75    HB3  GLN   9           HB3      GLN   9  -8.986   4.670  -1.330
   76    HG2  GLN   9           HG2      GLN   9  -8.774   7.326  -2.820
   77    HG3  GLN   9           HG3      GLN   9 -10.248   6.849  -1.984
   78   HE21  GLN   9          HE21      GLN   9  -8.407   6.948   1.302
   79   HE22  GLN   9          HE22      GLN   9  -9.036   5.591   0.390
   80    H    ARG  10           H        ARG  10  -5.849   3.920  -1.152
   81    HA   ARG  10           HA       ARG  10  -4.037   6.308  -1.120
   82    HB2  ARG  10           HB2      ARG  10  -5.659   6.518   0.708
   83    HB3  ARG  10           HB3      ARG  10  -5.199   4.933   1.340
   84    HG2  ARG  10           HG2      ARG  10  -2.936   5.747   1.855
   85    HG3  ARG  10           HG3      ARG  10  -3.286   7.296   1.071
   86    HD2  ARG  10           HD2      ARG  10  -5.073   7.731   2.771
   87    HD3  ARG  10           HD3      ARG  10  -4.705   6.190   3.532
   88    HE   ARG  10           HE       ARG  10  -2.715   7.035   4.414
   89   HH11  ARG  10          HH11      ARG  10  -1.646  10.291   4.636
   90   HH12  ARG  10          HH12      ARG  10  -1.450   8.668   5.214
   91   HH21  ARG  10          HH21      ARG  10  -4.136   9.534   2.387
   92   HH22  ARG  10          HH22      ARG  10  -3.129  10.780   3.082
   93    H    ARG  11           H        ARG  11  -4.270   2.816  -0.270
   94    HA   ARG  11           HA       ARG  11  -1.316   2.719   0.103
   95    HB2  ARG  11           HB2      ARG  11  -3.449   1.589   1.515
   96    HB3  ARG  11           HB3      ARG  11  -2.950   0.250   0.500
   97    HG2  ARG  11           HG2      ARG  11  -1.827   0.048   2.571
   98    HG3  ARG  11           HG3      ARG  11  -0.606   0.533   1.393
   99    HD2  ARG  11           HD2      ARG  11  -0.759   2.873   2.281
  100    HD3  ARG  11           HD3      ARG  11  -1.935   2.320   3.473
  101    HE   ARG  11           HE       ARG  11  -0.049   0.639   4.173
  102   HH11  ARG  11          HH11      ARG  11   2.690   2.144   5.416
  103   HH12  ARG  11          HH12      ARG  11   1.666   0.713   5.318
  104   HH21  ARG  11          HH21      ARG  11   0.831   3.907   3.092
  105   HH22  ARG  11          HH22      ARG  11   2.121   3.968   4.257
  106    H    THR  12           H        THR  12  -0.180   2.461  -1.691
  107    HA   THR  12           HA       THR  12  -1.122   1.063  -4.118
  108    HB   THR  12           HB       THR  12   1.220   1.750  -4.868
  109    HG1  THR  12           HG1      THR  12   2.429   2.991  -3.539
  110   HG21  THR  12          HG21      THR  12   0.745   4.152  -5.017
  111   HG22  THR  12          HG22      THR  12  -0.735   3.222  -5.314
  112   HG23  THR  12          HG23      THR  12  -0.485   4.019  -3.744
  113    H    PHE  13           H        PHE  13   0.493  -0.517  -5.171
  114    HA   PHE  13           HA       PHE  13   1.038  -2.768  -3.643
  115    HB2  PHE  13           HB2      PHE  13   0.902  -3.075  -5.914
  116    HB3  PHE  13           HB3      PHE  13   2.087  -1.831  -6.266
  117    HD1  PHE  13           HD1      PHE  13   1.628  -5.341  -5.245
  118    HD2  PHE  13           HD2      PHE  13   4.514  -2.256  -6.115
  119    HE1  PHE  13           HE1      PHE  13   3.431  -7.049  -5.349
  120    HE2  PHE  13           HE2      PHE  13   6.316  -3.960  -6.193
  121    HZ   PHE  13           HZ       PHE  13   5.778  -6.358  -5.804
  122    H    GLU  14           H        GLU  14   3.455  -0.213  -4.281
  123    HA   GLU  14           HA       GLU  14   5.566  -1.473  -2.793
  124    HB2  GLU  14           HB2      GLU  14   4.988   1.467  -3.337
  125    HB3  GLU  14           HB3      GLU  14   6.491   0.871  -2.649
  126    HG2  GLU  14           HG2      GLU  14   5.400   0.140  -5.400
  127    HG3  GLU  14           HG3      GLU  14   6.620   1.365  -5.074
  128    H    GLN  15           H        GLN  15   2.946   0.760  -1.742
  129    HA   GLN  15           HA       GLN  15   3.825   0.808   1.023
  130    HB2  GLN  15           HB2      GLN  15   1.168   1.441  -0.284
  131    HB3  GLN  15           HB3      GLN  15   1.492   1.620   1.439
  132    HG2  GLN  15           HG2      GLN  15   3.222   3.280   1.034
  133    HG3  GLN  15           HG3      GLN  15   3.064   3.086  -0.717
  134   HE21  GLN  15          HE21      GLN  15   0.013   4.985  -0.900
  135   HE22  GLN  15          HE22      GLN  15   1.241   4.064  -1.795
  136    H    ARG  16           H        ARG  16   1.877  -1.504  -0.835
  137    HA   ARG  16           HA       ARG  16   0.958  -2.961   1.542
  138    HB2  ARG  16           HB2      ARG  16   1.232  -4.103  -1.263
  139    HB3  ARG  16           HB3      ARG  16   0.275  -4.708   0.064
  140    HG2  ARG  16           HG2      ARG  16  -0.377  -2.638  -1.939
  141    HG3  ARG  16           HG3      ARG  16  -1.388  -3.835  -1.176
  142    HD2  ARG  16           HD2      ARG  16  -0.591  -1.121  -0.131
  143    HD3  ARG  16           HD3      ARG  16  -2.173  -1.623  -0.674
  144    HE   ARG  16           HE       ARG  16  -0.948  -2.061   1.957
  145   HH11  ARG  16          HH11      ARG  16  -3.285  -4.161   3.226
  146   HH12  ARG  16          HH12      ARG  16  -1.884  -3.117   3.510
  147   HH21  ARG  16          HH21      ARG  16  -4.364  -3.980   1.254
  148   HH22  ARG  16          HH22      ARG  16  -3.513  -3.327  -0.109
  149    H    VAL  17           H        VAL  17   3.773  -3.287  -0.637
  150    HA   VAL  17           HA       VAL  17   4.950  -5.526   0.756
  151    HB   VAL  17           HB       VAL  17   6.242  -3.259  -0.814
  152   HG11  VAL  17          HG11      VAL  17   8.215  -4.777  -1.000
  153   HG12  VAL  17          HG12      VAL  17   7.950  -4.208   0.655
  154   HG13  VAL  17          HG13      VAL  17   7.468  -5.859   0.197
  155   HG21  VAL  17          HG21      VAL  17   6.430  -4.921  -2.602
  156   HG22  VAL  17          HG22      VAL  17   5.688  -6.158  -1.574
  157   HG23  VAL  17          HG23      VAL  17   4.736  -4.769  -2.135
  158    H    GLU  18           H        GLU  18   5.281  -1.952   1.295
  159    HA   GLU  18           HA       GLU  18   6.926  -2.153   3.618
  160    HB2  GLU  18           HB2      GLU  18   4.924  -0.052   2.744
  161    HB3  GLU  18           HB3      GLU  18   5.927   0.105   4.193
  162    HG2  GLU  18           HG2      GLU  18   7.970  -0.054   2.886
  163    HG3  GLU  18           HG3      GLU  18   7.066  -0.329   1.399
  164    H    ASP  19           H        ASP  19   3.311  -2.032   3.475
  165    HA   ASP  19           HA       ASP  19   2.728  -2.389   6.203
  166    HB2  ASP  19           HB2      ASP  19   1.383  -3.542   3.757
  167    HB3  ASP  19           HB3      ASP  19   0.788  -3.814   5.380
  168    H    VAL  20           H        VAL  20   3.276  -5.070   3.862
  169    HA   VAL  20           HA       VAL  20   3.116  -7.180   5.780
  170    HB   VAL  20           HB       VAL  20   4.512  -6.986   3.080
  171   HG11  VAL  20          HG11      VAL  20   4.140  -9.445   4.843
  172   HG12  VAL  20          HG12      VAL  20   4.523  -9.499   3.118
  173   HG13  VAL  20          HG13      VAL  20   5.674  -8.785   4.234
  174   HG21  VAL  20          HG21      VAL  20   2.593  -8.265   2.310
  175   HG22  VAL  20          HG22      VAL  20   1.955  -8.406   3.963
  176   HG23  VAL  20          HG23      VAL  20   2.026  -6.834   3.145
  177    H    ARG  21           H        ARG  21   6.041  -5.498   4.469
  178    HA   ARG  21           HA       ARG  21   7.931  -7.068   5.906
  179    HB2  ARG  21           HB2      ARG  21   8.613  -5.743   3.997
  180    HB3  ARG  21           HB3      ARG  21   8.073  -4.246   4.759
  181    HG2  ARG  21           HG2      ARG  21  10.494  -4.374   4.810
  182    HG3  ARG  21           HG3      ARG  21   9.852  -4.403   6.443
  183    HD2  ARG  21           HD2      ARG  21  10.081  -6.994   6.294
  184    HD3  ARG  21           HD3      ARG  21  11.070  -6.709   4.868
  185    HE   ARG  21           HE       ARG  21  11.657  -6.037   7.714
  186   HH11  ARG  21          HH11      ARG  21  13.526  -5.723   8.375
  187   HH12  ARG  21          HH12      ARG  21  14.925  -5.506   7.314
  188   HH21  ARG  21          HH21      ARG  21  12.979  -5.834   4.447
  189   HH22  ARG  21          HH22      ARG  21  14.585  -5.585   5.074
  190    H    LEU  22           H        LEU  22   6.594  -3.857   6.790
  191    HA   LEU  22           HA       LEU  22   7.982  -3.686   9.316
  192    HB2  LEU  22           HB2      LEU  22   5.396  -2.417   8.296
  193    HB3  LEU  22           HB3      LEU  22   6.132  -1.997   9.839
  194    HG   LEU  22           HG       LEU  22   7.604  -1.717   7.197
  195   HD11  LEU  22          HD11      LEU  22   7.042   0.678   7.298
  196   HD12  LEU  22          HD12      LEU  22   5.582  -0.311   7.158
  197   HD13  LEU  22          HD13      LEU  22   6.026   0.386   8.732
  198   HD21  LEU  22          HD21      LEU  22   9.072  -1.749   9.183
  199   HD22  LEU  22          HD22      LEU  22   9.017  -0.136   8.469
  200   HD23  LEU  22          HD23      LEU  22   8.085  -0.482   9.943
  201    H    ILE  23           H        ILE  23   4.612  -4.762   8.542
  202    HA   ILE  23           HA       ILE  23   4.081  -5.120  11.313
  203    HB   ILE  23           HB       ILE  23   2.479  -4.662   9.278
  204   HG12  ILE  23          HG12      ILE  23   0.594  -5.630  10.691
  205   HG13  ILE  23          HG13      ILE  23   1.844  -6.171  11.812
  206   HG21  ILE  23          HG21      ILE  23   2.150  -7.696   9.500
  207   HG22  ILE  23          HG22      ILE  23   1.173  -6.564   8.535
  208   HG23  ILE  23          HG23      ILE  23   2.864  -6.844   8.123
  209   HD11  ILE  23          HD11      ILE  23   0.891  -3.990  12.472
  210   HD12  ILE  23          HD12      ILE  23   2.595  -3.772  12.040
  211   HD13  ILE  23          HD13      ILE  23   1.320  -3.292  10.899
  212    H    ARG  24           H        ARG  24   5.069  -7.574   8.868
  213    HA   ARG  24           HA       ARG  24   4.689  -9.724  10.811
  214    HB2  ARG  24           HB2      ARG  24   4.532 -10.075   8.355
  215    HB3  ARG  24           HB3      ARG  24   6.247  -9.715   8.192
  216    HG2  ARG  24           HG2      ARG  24   5.856 -12.113   8.105
  217    HG3  ARG  24           HG3      ARG  24   6.824 -11.718   9.527
  218    HD2  ARG  24           HD2      ARG  24   4.814 -11.932  10.964
  219    HD3  ARG  24           HD3      ARG  24   3.825 -12.248   9.523
  220    HE   ARG  24           HE       ARG  24   5.981 -14.152   9.670
  221   HH11  ARG  24          HH11      ARG  24   5.533 -16.339  10.333
  222   HH12  ARG  24          HH12      ARG  24   4.039 -16.611  11.238
  223   HH21  ARG  24          HH21      ARG  24   2.946 -13.462  11.259
  224   HH22  ARG  24          HH22      ARG  24   2.671 -15.148  11.677
  225    H    GLU  25           H        GLU  25   7.494  -7.692   9.905
  226    HA   GLU  25           HA       GLU  25   9.366  -9.130  11.575
  227    HB2  GLU  25           HB2      GLU  25  10.065  -7.665   9.777
  228    HB3  GLU  25           HB3      GLU  25   9.389  -6.248  10.609
  229    HG2  GLU  25           HG2      GLU  25  10.975  -6.469  12.430
  230    HG3  GLU  25           HG3      GLU  25  11.557  -8.018  11.801
  231    H    GLN  26           H        GLN  26   7.329  -6.209  12.255
  232    HA   GLN  26           HA       GLN  26   8.265  -6.157  15.013
  233    HB2  GLN  26           HB2      GLN  26   7.295  -4.105  15.188
  234    HB3  GLN  26           HB3      GLN  26   7.738  -4.185  13.504
  235    HG2  GLN  26           HG2      GLN  26   5.661  -3.406  13.120
  236    HG3  GLN  26           HG3      GLN  26   5.178  -5.086  13.283
  237   HE21  GLN  26          HE21      GLN  26   2.798  -3.697  15.594
  238   HE22  GLN  26          HE22      GLN  26   3.008  -4.479  14.029
  239    H    HIS  27           H        HIS  27   5.675  -7.861  13.494
  240    HA   HIS  27           HA       HIS  27   4.706  -8.748  16.172
  241    HB2  HIS  27           HB2      HIS  27   3.286  -6.964  14.707
  242    HB3  HIS  27           HB3      HIS  27   2.631  -8.408  13.997
  243    HD1  HIS  27           HD1      HIS  27   2.142 -10.223  16.630
  244    HD2  HIS  27           HD2      HIS  27   1.480  -6.056  16.229
  245    HE1  HIS  27           HE1      HIS  27   0.427  -9.567  18.428
  246    HE2  HIS  27           HE2      HIS  27   0.011  -7.044  18.175
  247    HA   PRO  28           HA       PRO  28   5.979 -12.176  13.190
  248    HB2  PRO  28           HB2      PRO  28   7.126 -13.265  15.761
  249    HB3  PRO  28           HB3      PRO  28   7.792 -13.346  14.104
  250    HG2  PRO  28           HG2      PRO  28   8.777 -11.541  15.840
  251    HG3  PRO  28           HG3      PRO  28   8.397 -11.020  14.164
  252    HD2  PRO  28           HD2      PRO  28   6.699 -10.708  16.666
  253    HD3  PRO  28           HD3      PRO  28   7.151  -9.482  15.451
  254    H    THR  29           H        THR  29   4.115 -12.226  16.147
  255    HA   THR  29           HA       THR  29   3.135 -14.942  16.028
  256    HB   THR  29           HB       THR  29   1.480 -14.092  17.668
  257    HG1  THR  29           HG1      THR  29   1.494 -11.925  18.172
  258   HG21  THR  29          HG21      THR  29   3.819 -14.603  18.468
  259   HG22  THR  29          HG22      THR  29   4.212 -12.877  18.277
  260   HG23  THR  29          HG23      THR  29   2.963 -13.381  19.428
  261    H    LYS  30           H        LYS  30   2.313 -12.216  14.009
  262    HA   LYS  30           HA       LYS  30  -0.272 -13.556  13.289
  263    HB2  LYS  30           HB2      LYS  30   0.224 -10.574  13.537
  264    HB3  LYS  30           HB3      LYS  30  -1.233 -11.360  12.864
  265    HG2  LYS  30           HG2      LYS  30  -1.817 -12.286  14.986
  266    HG3  LYS  30           HG3      LYS  30  -0.359 -11.665  15.758
  267    HD2  LYS  30           HD2      LYS  30  -1.243  -9.541  15.960
  268    HD3  LYS  30           HD3      LYS  30  -2.125  -9.632  14.434
  269    HE2  LYS  30           HE2      LYS  30  -3.824 -11.079  15.388
  270    HE3  LYS  30           HE3      LYS  30  -2.973 -11.146  16.944
  271    HZ1  LYS  30           HZ1      LYS  30  -4.026  -8.603  15.757
  272    HZ2  LYS  30           HZ2      LYS  30  -4.846  -9.491  16.865
  273    HZ3  LYS  30           HZ3      LYS  30  -3.411  -8.806  17.265
  274    H    ILE  31           H        ILE  31  -1.020 -13.541  11.310
  275    HA   ILE  31           HA       ILE  31   0.809 -13.218   9.042
  276    HB   ILE  31           HB       ILE  31  -2.024 -14.291   9.313
  277   HG12  ILE  31          HG12      ILE  31  -0.497 -15.691  10.508
  278   HG13  ILE  31          HG13      ILE  31  -1.092 -16.509   9.072
  279   HG21  ILE  31          HG21      ILE  31  -0.192 -14.464   6.886
  280   HG22  ILE  31          HG22      ILE  31  -1.744 -15.322   7.109
  281   HG23  ILE  31          HG23      ILE  31  -1.722 -13.571   6.994
  282   HD11  ILE  31          HD11      ILE  31   1.024 -16.187   7.899
  283   HD12  ILE  31          HD12      ILE  31   1.665 -15.229   9.247
  284   HD13  ILE  31          HD13      ILE  31   1.314 -16.946   9.470
  285    HA   PRO  32           HA       PRO  32  -1.425  -9.433   7.739
  286    HB2  PRO  32           HB2      PRO  32  -0.065  -8.899   5.443
  287    HB3  PRO  32           HB3      PRO  32   0.672  -8.668   7.052
  288    HG2  PRO  32           HG2      PRO  32   0.985 -11.028   5.171
  289    HG3  PRO  32           HG3      PRO  32   2.264 -10.119   6.041
  290    HD2  PRO  32           HD2      PRO  32   1.198 -12.474   6.951
  291    HD3  PRO  32           HD3      PRO  32   1.799 -11.197   8.053
  292    H    VAL  33           H        VAL  33  -3.427  -9.499   6.867
  293    HA   VAL  33           HA       VAL  33  -3.974 -11.232   4.495
  294    HB   VAL  33           HB       VAL  33  -5.906 -10.939   6.798
  295   HG11  VAL  33          HG11      VAL  33  -5.790 -12.905   4.474
  296   HG12  VAL  33          HG12      VAL  33  -6.980 -12.926   5.786
  297   HG13  VAL  33          HG13      VAL  33  -6.966 -11.584   4.650
  298   HG21  VAL  33          HG21      VAL  33  -5.314 -13.303   7.376
  299   HG22  VAL  33          HG22      VAL  33  -3.933 -13.186   6.273
  300   HG23  VAL  33          HG23      VAL  33  -4.019 -12.147   7.714
  301    H    ILE  34           H        ILE  34  -5.390 -10.482   2.933
  302    HA   ILE  34           HA       ILE  34  -6.538  -7.718   3.303
  303    HB   ILE  34           HB       ILE  34  -5.277  -9.076   0.923
  304   HG12  ILE  34          HG12      ILE  34  -5.211  -6.198   1.944
  305   HG13  ILE  34          HG13      ILE  34  -4.092  -7.454   2.452
  306   HG21  ILE  34          HG21      ILE  34  -7.491  -8.455   0.017
  307   HG22  ILE  34          HG22      ILE  34  -7.317  -6.818   0.690
  308   HG23  ILE  34          HG23      ILE  34  -6.258  -7.392  -0.619
  309   HD11  ILE  34          HD11      ILE  34  -2.947  -6.228   0.778
  310   HD12  ILE  34          HD12      ILE  34  -3.428  -7.748   0.005
  311   HD13  ILE  34          HD13      ILE  34  -4.329  -6.251  -0.321
  312    H    ILE  35           H        ILE  35  -8.673  -7.381   2.862
  313    HA   ILE  35           HA       ILE  35 -10.216  -9.557   1.590
  314    HB   ILE  35           HB       ILE  35 -10.599  -9.928   3.927
  315   HG12  ILE  35          HG12      ILE  35 -13.052  -8.631   2.620
  316   HG13  ILE  35          HG13      ILE  35 -12.439 -10.255   2.270
  317   HG21  ILE  35          HG21      ILE  35 -11.601  -8.345   5.430
  318   HG22  ILE  35          HG22      ILE  35 -10.184  -7.555   4.743
  319   HG23  ILE  35          HG23      ILE  35 -11.818  -7.137   4.156
  320   HD11  ILE  35          HD11      ILE  35 -14.283 -10.458   3.813
  321   HD12  ILE  35          HD12      ILE  35 -12.789 -10.854   4.691
  322   HD13  ILE  35          HD13      ILE  35 -13.595  -9.283   4.922
  323    H    GLU  36           H        GLU  36 -11.116  -8.791  -0.174
  324    HA   GLU  36           HA       GLU  36 -11.935  -5.900  -0.265
  325    HB2  GLU  36           HB2      GLU  36 -10.032  -6.609  -1.734
  326    HB3  GLU  36           HB3      GLU  36 -11.151  -7.705  -2.563
  327    HG2  GLU  36           HG2      GLU  36 -12.599  -5.665  -3.061
  328    HG3  GLU  36           HG3      GLU  36 -11.314  -4.664  -2.391
  329    H    ARG  37           H        ARG  37 -14.038  -5.408  -0.644
  330    HA   ARG  37           HA       ARG  37 -16.169  -7.328  -0.876
  331    HB2  ARG  37           HB2      ARG  37 -16.364  -4.955  -0.075
  332    HB3  ARG  37           HB3      ARG  37 -15.976  -4.389  -1.689
  333    HG2  ARG  37           HG2      ARG  37 -18.225  -4.076  -1.600
  334    HG3  ARG  37           HG3      ARG  37 -18.143  -5.607  -2.460
  335    HD2  ARG  37           HD2      ARG  37 -18.485  -5.529   0.576
  336    HD3  ARG  37           HD3      ARG  37 -19.849  -5.242  -0.494
  337    HE   ARG  37           HE       ARG  37 -18.370  -7.808  -0.191
  338   HH11  ARG  37          HH11      ARG  37 -21.370  -6.274  -1.078
  339   HH12  ARG  37          HH12      ARG  37 -21.796  -7.643  -2.126
  340   HH21  ARG  37          HH21      ARG  37 -19.101  -9.447  -1.627
  341   HH22  ARG  37          HH22      ARG  37 -20.716  -9.319  -2.293
  342    H    TYR  38           H        TYR  38 -16.624  -8.617  -2.620
  343    HA   TYR  38           HA       TYR  38 -14.871  -8.677  -4.733
  344    HB2  TYR  38           HB2      TYR  38 -15.764 -10.685  -4.104
  345    HB3  TYR  38           HB3      TYR  38 -17.421 -10.118  -4.262
  346    HD1  TYR  38           HD1      TYR  38 -14.377 -10.637  -6.431
  347    HD2  TYR  38           HD2      TYR  38 -18.682 -10.943  -6.067
  348    HE1  TYR  38           HE1      TYR  38 -14.520 -11.570  -8.734
  349    HE2  TYR  38           HE2      TYR  38 -18.803 -11.873  -8.350
  350    HH   TYR  38           HH       TYR  38 -17.617 -12.569 -10.223
  351    H    LYS  39           H        LYS  39 -14.585  -8.153  -6.776
  352    HA   LYS  39           HA       LYS  39 -15.649  -5.695  -7.627
  353    HB2  LYS  39           HB2      LYS  39 -14.251  -7.817  -9.312
  354    HB3  LYS  39           HB3      LYS  39 -14.457  -6.118  -9.745
  355    HG2  LYS  39           HG2      LYS  39 -13.127  -5.457  -7.722
  356    HG3  LYS  39           HG3      LYS  39 -12.830  -7.174  -7.388
  357    HD2  LYS  39           HD2      LYS  39 -11.842  -7.371  -9.715
  358    HD3  LYS  39           HD3      LYS  39 -11.963  -5.618  -9.865
  359    HE2  LYS  39           HE2      LYS  39 -10.342  -7.156  -7.772
  360    HE3  LYS  39           HE3      LYS  39  -9.704  -6.411  -9.239
  361    HZ1  LYS  39           HZ1      LYS  39  -9.328  -4.928  -7.428
  362    HZ2  LYS  39           HZ2      LYS  39 -10.519  -4.226  -8.305
  363    HZ3  LYS  39           HZ3      LYS  39 -10.852  -4.996  -6.879
  364    H    GLY  40           H        GLY  40 -16.772  -8.929  -8.486
  365    HA2  GLY  40           HA2      GLY  40 -18.602  -8.022 -10.582
  366    HA3  GLY  40           HA3      GLY  40 -18.437  -9.647  -9.942
  367    H    GLU  41           H        GLU  41 -18.909  -8.075  -7.119
  368    HA   GLU  41           HA       GLU  41 -21.763  -7.492  -7.320
  369    HB2  GLU  41           HB2      GLU  41 -22.053  -9.792  -7.296
  370    HB3  GLU  41           HB3      GLU  41 -20.826 -10.083  -6.077
  371    HG2  GLU  41           HG2      GLU  41 -23.230  -8.390  -5.356
  372    HG3  GLU  41           HG3      GLU  41 -23.463 -10.121  -5.555
  373    H    LYS  42           H        LYS  42 -21.886  -5.669  -6.251
  374    HA   LYS  42           HA       LYS  42 -20.698  -5.423  -3.521
  375    HB2  LYS  42           HB2      LYS  42 -21.531  -3.309  -5.527
  376    HB3  LYS  42           HB3      LYS  42 -21.098  -2.960  -3.855
  377    HG2  LYS  42           HG2      LYS  42 -18.859  -3.968  -4.183
  378    HG3  LYS  42           HG3      LYS  42 -19.248  -4.298  -5.879
  379    HD2  LYS  42           HD2      LYS  42 -19.521  -1.905  -6.326
  380    HD3  LYS  42           HD3      LYS  42 -19.246  -1.516  -4.618
  381    HE2  LYS  42           HE2      LYS  42 -16.934  -2.372  -4.742
  382    HE3  LYS  42           HE3      LYS  42 -17.193  -2.900  -6.405
  383    HZ1  LYS  42           HZ1      LYS  42 -16.059  -0.748  -6.328
  384    HZ2  LYS  42           HZ2      LYS  42 -17.517  -0.557  -7.038
  385    HZ3  LYS  42           HZ3      LYS  42 -17.290  -0.060  -5.500
  386    H    GLN  43           H        GLN  43 -23.179  -6.922  -4.173
  387    HA   GLN  43           HA       GLN  43 -25.480  -5.396  -3.417
  388    HB2  GLN  43           HB2      GLN  43 -25.472  -7.406  -4.849
  389    HB3  GLN  43           HB3      GLN  43 -25.064  -8.421  -3.467
  390    HG2  GLN  43           HG2      GLN  43 -27.512  -6.639  -3.308
  391    HG3  GLN  43           HG3      GLN  43 -27.568  -8.058  -4.344
  392   HE21  GLN  43          HE21      GLN  43 -27.423 -10.419  -1.600
  393   HE22  GLN  43          HE22      GLN  43 -26.997 -10.230  -3.296
  394    H    LEU  44           H        LEU  44 -23.617  -7.883  -1.554
  395    HA   LEU  44           HA       LEU  44 -24.898  -7.279   0.960
  396    HB2  LEU  44           HB2      LEU  44 -22.087  -8.386   0.597
  397    HB3  LEU  44           HB3      LEU  44 -23.096  -8.514   2.019
  398    HG   LEU  44           HG       LEU  44 -23.593  -9.859  -0.652
  399   HD11  LEU  44          HD11      LEU  44 -21.757 -10.872   0.563
  400   HD12  LEU  44          HD12      LEU  44 -22.721 -10.909   2.070
  401   HD13  LEU  44          HD13      LEU  44 -23.171 -11.927   0.701
  402   HD21  LEU  44          HD21      LEU  44 -25.142 -10.059   1.982
  403   HD22  LEU  44          HD22      LEU  44 -25.760  -9.385   0.457
  404   HD23  LEU  44          HD23      LEU  44 -25.392 -11.110   0.576
  405    HA   PRO  45           HA       PRO  45 -23.362  -3.378   1.899
  406    HB2  PRO  45           HB2      PRO  45 -23.161  -3.281   4.651
  407    HB3  PRO  45           HB3      PRO  45 -24.700  -3.345   3.744
  408    HG2  PRO  45           HG2      PRO  45 -23.179  -5.677   4.961
  409    HG3  PRO  45           HG3      PRO  45 -24.918  -5.273   5.149
  410    HD2  PRO  45           HD2      PRO  45 -24.132  -7.092   3.344
  411    HD3  PRO  45           HD3      PRO  45 -25.394  -5.905   2.908
  412    H    VAL  46           H        VAL  46 -21.631  -2.053   2.242
  413    HA   VAL  46           HA       VAL  46 -19.008  -3.378   2.395
  414    HB   VAL  46           HB       VAL  46 -19.325  -0.474   1.696
  415   HG11  VAL  46          HG11      VAL  46 -17.328  -2.647   0.890
  416   HG12  VAL  46          HG12      VAL  46 -17.265  -0.932   0.431
  417   HG13  VAL  46          HG13      VAL  46 -17.049  -1.396   2.119
  418   HG21  VAL  46          HG21      VAL  46 -20.860  -1.504   0.160
  419   HG22  VAL  46          HG22      VAL  46 -19.361  -1.165  -0.694
  420   HG23  VAL  46          HG23      VAL  46 -19.725  -2.830  -0.174
  421    H    LEU  47           H        LEU  47 -19.137  -3.886   4.627
  422    HA   LEU  47           HA       LEU  47 -19.165  -1.833   6.654
  423    HB2  LEU  47           HB2      LEU  47 -18.465  -4.774   6.597
  424    HB3  LEU  47           HB3      LEU  47 -18.018  -3.828   7.997
  425    HG   LEU  47           HG       LEU  47 -20.096  -4.990   8.379
  426   HD11  LEU  47          HD11      LEU  47 -21.454  -3.213   9.244
  427   HD12  LEU  47          HD12      LEU  47 -19.744  -2.810   9.491
  428   HD13  LEU  47          HD13      LEU  47 -20.682  -2.021   8.198
  429   HD21  LEU  47          HD21      LEU  47 -20.958  -5.048   6.050
  430   HD22  LEU  47          HD22      LEU  47 -22.161  -4.502   7.224
  431   HD23  LEU  47          HD23      LEU  47 -21.356  -3.315   6.181
  432    H    ASP  48           H        ASP  48 -17.447  -1.363   8.150
  433    HA   ASP  48           HA       ASP  48 -15.342  -0.144   6.654
  434    HB2  ASP  48           HB2      ASP  48 -14.873   1.085   8.784
  435    HB3  ASP  48           HB3      ASP  48 -16.455   1.250   8.066
  436    H    LYS  49           H        LYS  49 -14.654  -2.734   6.450
  437    HA   LYS  49           HA       LYS  49 -11.955  -2.653   7.651
  438    HB2  LYS  49           HB2      LYS  49 -13.650  -5.180   7.874
  439    HB3  LYS  49           HB3      LYS  49 -11.923  -5.045   8.180
  440    HG2  LYS  49           HG2      LYS  49 -12.633  -4.901  10.324
  441    HG3  LYS  49           HG3      LYS  49 -12.606  -3.198   9.924
  442    HD2  LYS  49           HD2      LYS  49 -15.131  -3.439   9.390
  443    HD3  LYS  49           HD3      LYS  49 -15.026  -5.074  10.066
  444    HE2  LYS  49           HE2      LYS  49 -14.338  -4.202  12.235
  445    HE3  LYS  49           HE3      LYS  49 -14.119  -2.577  11.563
  446    HZ1  LYS  49           HZ1      LYS  49 -16.235  -2.784  12.771
  447    HZ2  LYS  49           HZ2      LYS  49 -16.473  -2.378  11.207
  448    HZ3  LYS  49           HZ3      LYS  49 -16.779  -3.921  11.724
  449    H    THR  50           H        THR  50 -10.377  -3.375   6.429
  450    HA   THR  50           HA       THR  50 -10.903  -4.686   3.796
  451    HB   THR  50           HB       THR  50  -9.711  -3.084   2.538
  452    HG1  THR  50           HG1      THR  50  -8.825  -1.213   3.640
  453   HG21  THR  50          HG21      THR  50 -12.051  -2.344   3.065
  454   HG22  THR  50          HG22      THR  50 -11.399  -1.380   4.420
  455   HG23  THR  50          HG23      THR  50 -10.929  -1.010   2.755
  456    H    LYS  51           H        LYS  51  -8.658  -4.150   6.423
  457    HA   LYS  51           HA       LYS  51  -6.827  -6.204   5.282
  458    HB2  LYS  51           HB2      LYS  51  -4.848  -4.794   5.840
  459    HB3  LYS  51           HB3      LYS  51  -5.831  -4.193   4.504
  460    HG2  LYS  51           HG2      LYS  51  -6.903  -2.535   6.007
  461    HG3  LYS  51           HG3      LYS  51  -5.888  -3.082   7.343
  462    HD2  LYS  51           HD2      LYS  51  -4.778  -1.953   4.726
  463    HD3  LYS  51           HD3      LYS  51  -5.177  -0.961   6.137
  464    HE2  LYS  51           HE2      LYS  51  -3.621  -2.219   7.545
  465    HE3  LYS  51           HE3      LYS  51  -3.152  -3.251   6.184
  466    HZ1  LYS  51           HZ1      LYS  51  -2.781  -0.264   6.240
  467    HZ2  LYS  51           HZ2      LYS  51  -1.603  -1.364   6.590
  468    HZ3  LYS  51           HZ3      LYS  51  -2.188  -1.273   5.087
  469    H    PHE  52           H        PHE  52  -5.940  -7.527   6.693
  470    HA   PHE  52           HA       PHE  52  -6.624  -7.235   9.548
  471    HB2  PHE  52           HB2      PHE  52  -7.486  -9.441   7.725
  472    HB3  PHE  52           HB3      PHE  52  -7.272  -9.741   9.436
  473    HD1  PHE  52           HD1      PHE  52  -8.489  -8.203  11.124
  474    HD2  PHE  52           HD2      PHE  52  -9.546  -8.502   6.960
  475    HE1  PHE  52           HE1      PHE  52 -10.776  -7.354  11.640
  476    HE2  PHE  52           HE2      PHE  52 -11.836  -7.671   7.502
  477    HZ   PHE  52           HZ       PHE  52 -12.451  -7.152   9.833
  478    H    LEU  53           H        LEU  53  -5.640  -8.620  11.106
  479    HA   LEU  53           HA       LEU  53  -2.988  -9.664  10.278
  480    HB2  LEU  53           HB2      LEU  53  -3.016  -7.205  11.193
  481    HB3  LEU  53           HB3      LEU  53  -3.305  -7.964  12.763
  482    HG   LEU  53           HG       LEU  53  -1.193  -9.286  12.363
  483   HD11  LEU  53          HD11      LEU  53   0.454  -8.345  10.796
  484   HD12  LEU  53          HD12      LEU  53  -0.907  -9.093   9.967
  485   HD13  LEU  53          HD13      LEU  53  -0.827  -7.323  10.081
  486   HD21  LEU  53          HD21      LEU  53  -1.293  -7.297  13.841
  487   HD22  LEU  53          HD22      LEU  53   0.280  -7.469  13.044
  488   HD23  LEU  53          HD23      LEU  53  -0.897  -6.272  12.453
  489    H    VAL  54           H        VAL  54  -3.634 -11.765  10.489
  490    HA   VAL  54           HA       VAL  54  -5.313 -12.547  12.801
  491    HB   VAL  54           HB       VAL  54  -4.578 -14.212  10.386
  492   HG11  VAL  54          HG11      VAL  54  -6.578 -15.523  10.955
  493   HG12  VAL  54          HG12      VAL  54  -5.484 -15.492  12.338
  494   HG13  VAL  54          HG13      VAL  54  -6.929 -14.463  12.333
  495   HG21  VAL  54          HG21      VAL  54  -7.056 -12.475  10.778
  496   HG22  VAL  54          HG22      VAL  54  -5.756 -12.166   9.614
  497   HG23  VAL  54          HG23      VAL  54  -6.756 -13.599   9.434
  498    HA   PRO  55           HA       PRO  55  -1.692 -14.339  14.753
  499    HB2  PRO  55           HB2      PRO  55  -2.784 -15.847  16.740
  500    HB3  PRO  55           HB3      PRO  55  -2.698 -14.057  16.801
  501    HG2  PRO  55           HG2      PRO  55  -5.019 -15.784  15.954
  502    HG3  PRO  55           HG3      PRO  55  -5.045 -14.379  17.061
  503    HD2  PRO  55           HD2      PRO  55  -5.763 -14.181  14.447
  504    HD3  PRO  55           HD3      PRO  55  -4.904 -12.855  15.274
  505    H    ASP  56           H        ASP  56  -0.440 -16.047  14.331
  506    HA   ASP  56           HA       ASP  56  -1.036 -17.640  12.206
  507    HB2  ASP  56           HB2      ASP  56   1.030 -18.088  14.365
  508    HB3  ASP  56           HB3      ASP  56   0.940 -19.065  12.902
  509    H    HIS  57           H        HIS  57  -1.806 -18.530  15.474
  510    HA   HIS  57           HA       HIS  57  -2.379 -21.336  14.941
  511    HB2  HIS  57           HB2      HIS  57  -3.193 -19.658  17.344
  512    HB3  HIS  57           HB3      HIS  57  -3.009 -21.406  17.275
  513    HD1  HIS  57           HD1      HIS  57  -1.260 -18.631  18.653
  514    HD2  HIS  57           HD2      HIS  57  -0.160 -21.966  16.294
  515    HE1  HIS  57           HE1      HIS  57   1.286 -18.955  18.986
  516    HE2  HIS  57           HE2      HIS  57   1.944 -20.996  17.545
  517    H    VAL  58           H        VAL  58  -4.336 -18.497  14.431
  518    HA   VAL  58           HA       VAL  58  -6.978 -19.681  14.967
  519    HB   VAL  58           HB       VAL  58  -5.964 -17.238  13.577
  520   HG11  VAL  58          HG11      VAL  58  -7.657 -17.911  11.954
  521   HG12  VAL  58          HG12      VAL  58  -8.813 -18.271  13.264
  522   HG13  VAL  58          HG13      VAL  58  -8.302 -16.605  12.957
  523   HG21  VAL  58          HG21      VAL  58  -6.523 -17.410  16.060
  524   HG22  VAL  58          HG22      VAL  58  -7.419 -16.148  15.187
  525   HG23  VAL  58          HG23      VAL  58  -8.205 -17.687  15.596
  526    H    ASN  59           H        ASN  59  -8.125 -21.053  13.600
  527    HA   ASN  59           HA       ASN  59  -6.805 -21.910  11.091
  528    HB2  ASN  59           HB2      ASN  59  -8.274 -23.776  11.101
  529    HB3  ASN  59           HB3      ASN  59  -7.584 -23.616  12.707
  530   HD21  ASN  59          HD21      ASN  59 -10.817 -23.553  14.138
  531   HD22  ASN  59          HD22      ASN  59  -9.092 -23.766  14.388
  532    H    MET  60           H        MET  60  -8.070 -22.218   9.116
  533    HA   MET  60           HA       MET  60  -9.052 -19.753   8.203
  534    HB2  MET  60           HB2      MET  60  -7.969 -21.565   6.884
  535    HB3  MET  60           HB3      MET  60  -9.432 -22.525   7.021
  536    HG2  MET  60           HG2      MET  60  -9.361 -21.535   4.868
  537    HG3  MET  60           HG3      MET  60 -10.687 -20.790   5.747
  538    HE1  MET  60           HE1      MET  60 -10.117 -17.157   5.381
  539    HE2  MET  60           HE2      MET  60 -11.193 -18.566   5.357
  540    HE3  MET  60           HE3      MET  60 -10.344 -18.122   6.848
  541    H    SER  61           H        SER  61 -11.039 -22.610   9.169
  542    HA   SER  61           HA       SER  61 -13.576 -21.431   8.546
  543    HB2  SER  61           HB2      SER  61 -13.262 -23.827   8.892
  544    HB3  SER  61           HB3      SER  61 -12.831 -23.557  10.587
  545    HG   SER  61           HG       SER  61 -15.056 -24.153  10.294
  546    H    GLU  62           H        GLU  62 -11.648 -21.370  11.574
  547    HA   GLU  62           HA       GLU  62 -13.512 -19.846  13.116
  548    HB2  GLU  62           HB2      GLU  62 -11.687 -21.098  14.148
  549    HB3  GLU  62           HB3      GLU  62 -10.496 -20.125  13.303
  550    HG2  GLU  62           HG2      GLU  62 -10.592 -19.417  15.583
  551    HG3  GLU  62           HG3      GLU  62 -11.159 -18.115  14.560
  552    H    LEU  63           H        LEU  63 -10.779 -18.738  11.033
  553    HA   LEU  63           HA       LEU  63 -11.180 -15.934  11.435
  554    HB2  LEU  63           HB2      LEU  63  -9.177 -16.816  10.359
  555    HB3  LEU  63           HB3      LEU  63 -10.131 -17.491   9.044
  556    HG   LEU  63           HG       LEU  63 -10.762 -15.192   8.302
  557   HD11  LEU  63          HD11      LEU  63 -10.613 -13.956  10.424
  558   HD12  LEU  63          HD12      LEU  63  -8.885 -14.323  10.551
  559   HD13  LEU  63          HD13      LEU  63  -9.493 -13.252   9.252
  560   HD21  LEU  63          HD21      LEU  63  -7.763 -15.595   8.642
  561   HD22  LEU  63          HD22      LEU  63  -8.768 -16.288   7.345
  562   HD23  LEU  63          HD23      LEU  63  -8.561 -14.537   7.444
  563    H    ILE  64           H        ILE  64 -12.681 -18.147   9.023
  564    HA   ILE  64           HA       ILE  64 -14.383 -16.216   7.777
  565    HB   ILE  64           HB       ILE  64 -14.422 -19.199   8.124
  566   HG12  ILE  64          HG12      ILE  64 -14.584 -17.590   5.587
  567   HG13  ILE  64          HG13      ILE  64 -13.053 -17.852   6.432
  568   HG21  ILE  64          HG21      ILE  64 -16.746 -17.668   6.877
  569   HG22  ILE  64          HG22      ILE  64 -16.487 -19.416   6.759
  570   HG23  ILE  64          HG23      ILE  64 -16.824 -18.705   8.325
  571   HD11  ILE  64          HD11      ILE  64 -14.861 -20.033   5.359
  572   HD12  ILE  64          HD12      ILE  64 -13.343 -19.494   4.644
  573   HD13  ILE  64          HD13      ILE  64 -13.330 -20.298   6.228
  574    H    LYS  65           H        LYS  65 -14.985 -18.154  10.734
  575    HA   LYS  65           HA       LYS  65 -17.631 -17.178  11.159
  576    HB2  LYS  65           HB2      LYS  65 -16.539 -19.205  12.186
  577    HB3  LYS  65           HB3      LYS  65 -15.667 -18.132  13.292
  578    HG2  LYS  65           HG2      LYS  65 -17.847 -17.283  14.160
  579    HG3  LYS  65           HG3      LYS  65 -18.700 -18.329  13.004
  580    HD2  LYS  65           HD2      LYS  65 -17.714 -20.336  14.075
  581    HD3  LYS  65           HD3      LYS  65 -16.843 -19.297  15.227
  582    HE2  LYS  65           HE2      LYS  65 -19.007 -18.401  16.063
  583    HE3  LYS  65           HE3      LYS  65 -19.881 -19.431  14.926
  584    HZ1  LYS  65           HZ1      LYS  65 -18.138 -20.428  17.132
  585    HZ2  LYS  65           HZ2      LYS  65 -19.766 -20.452  17.130
  586    HZ3  LYS  65           HZ3      LYS  65 -18.944 -21.383  16.072
  587    H    ILE  66           H        ILE  66 -14.556 -15.900  12.593
  588    HA   ILE  66           HA       ILE  66 -15.944 -13.731  13.911
  589    HB   ILE  66           HB       ILE  66 -13.851 -14.419  14.759
  590   HG12  ILE  66          HG12      ILE  66 -14.594 -11.983  14.959
  591   HG13  ILE  66          HG13      ILE  66 -12.954 -12.416  15.400
  592   HG21  ILE  66          HG21      ILE  66 -12.559 -15.122  12.884
  593   HG22  ILE  66          HG22      ILE  66 -12.513 -13.493  12.182
  594   HG23  ILE  66          HG23      ILE  66 -11.660 -13.849  13.699
  595   HD11  ILE  66          HD11      ILE  66 -12.957 -10.286  14.258
  596   HD12  ILE  66          HD12      ILE  66 -12.076 -11.478  13.298
  597   HD13  ILE  66          HD13      ILE  66 -13.704 -10.985  12.812
  598    H    ILE  67           H        ILE  67 -14.399 -13.889  10.668
  599    HA   ILE  67           HA       ILE  67 -14.904 -11.118  10.076
  600    HB   ILE  67           HB       ILE  67 -14.425 -13.522   8.290
  601   HG12  ILE  67          HG12      ILE  67 -12.538 -12.803   9.769
  602   HG13  ILE  67          HG13      ILE  67 -12.193 -12.708   8.052
  603   HG21  ILE  67          HG21      ILE  67 -14.704 -10.581   7.508
  604   HG22  ILE  67          HG22      ILE  67 -13.873 -11.788   6.510
  605   HG23  ILE  67          HG23      ILE  67 -15.596 -11.977   6.862
  606   HD11  ILE  67          HD11      ILE  67 -12.842 -10.338   9.864
  607   HD12  ILE  67          HD12      ILE  67 -11.239 -10.818   9.292
  608   HD13  ILE  67          HD13      ILE  67 -12.444 -10.245   8.132
  609    H    ARG  68           H        ARG  68 -16.974 -14.009   9.430
  610    HA   ARG  68           HA       ARG  68 -19.104 -12.661   8.114
  611    HB2  ARG  68           HB2      ARG  68 -18.808 -15.170   8.517
  612    HB3  ARG  68           HB3      ARG  68 -19.406 -14.921  10.153
  613    HG2  ARG  68           HG2      ARG  68 -21.488 -13.857   9.042
  614    HG3  ARG  68           HG3      ARG  68 -20.872 -14.487   7.515
  615    HD2  ARG  68           HD2      ARG  68 -20.772 -16.683   9.288
  616    HD3  ARG  68           HD3      ARG  68 -22.251 -15.852   9.748
  617    HE   ARG  68           HE       ARG  68 -21.752 -17.432   7.382
  618   HH11  ARG  68          HH11      ARG  68 -23.740 -14.690   8.374
  619   HH12  ARG  68          HH12      ARG  68 -24.994 -15.097   7.241
  620   HH21  ARG  68          HH21      ARG  68 -23.407 -17.847   5.938
  621   HH22  ARG  68          HH22      ARG  68 -24.712 -16.691   5.782
  622    H    ARG  69           H        ARG  69 -18.582 -13.046  11.632
  623    HA   ARG  69           HA       ARG  69 -20.874 -11.454  12.401
  624    HB2  ARG  69           HB2      ARG  69 -19.955 -13.128  13.886
  625    HB3  ARG  69           HB3      ARG  69 -18.382 -12.340  13.911
  626    HG2  ARG  69           HG2      ARG  69 -19.615 -11.946  15.997
  627    HG3  ARG  69           HG3      ARG  69 -19.288 -10.439  15.157
  628    HD2  ARG  69           HD2      ARG  69 -21.709 -10.592  14.225
  629    HD3  ARG  69           HD3      ARG  69 -21.927 -11.951  15.317
  630    HE   ARG  69           HE       ARG  69 -21.954 -10.519  17.149
  631   HH11  ARG  69          HH11      ARG  69 -21.041  -8.539  14.344
  632   HH12  ARG  69          HH12      ARG  69 -21.338  -7.069  15.228
  633   HH21  ARG  69          HH21      ARG  69 -22.294  -8.590  18.152
  634   HH22  ARG  69          HH22      ARG  69 -22.046  -7.098  17.304
  635    H    ARG  70           H        ARG  70 -17.448 -10.517  11.939
  636    HA   ARG  70           HA       ARG  70 -17.870  -7.721  12.710
  637    HB2  ARG  70           HB2      ARG  70 -15.664  -9.326  11.419
  638    HB3  ARG  70           HB3      ARG  70 -15.642  -7.589  11.189
  639    HG2  ARG  70           HG2      ARG  70 -14.289  -8.287  13.118
  640    HG3  ARG  70           HG3      ARG  70 -15.561  -7.140  13.535
  641    HD2  ARG  70           HD2      ARG  70 -16.919  -8.919  14.526
  642    HD3  ARG  70           HD3      ARG  70 -15.730 -10.135  14.020
  643    HE   ARG  70           HE       ARG  70 -14.413  -8.095  15.542
  644   HH11  ARG  70          HH11      ARG  70 -16.623 -10.741  16.299
  645   HH12  ARG  70          HH12      ARG  70 -16.016 -10.834  17.929
  646   HH21  ARG  70          HH21      ARG  70 -13.777  -8.231  17.434
  647   HH22  ARG  70          HH22      ARG  70 -14.404  -9.389  18.613
  648    H    LEU  71           H        LEU  71 -18.287  -9.384   9.650
  649    HA   LEU  71           HA       LEU  71 -18.998  -6.939   8.192
  650    HB2  LEU  71           HB2      LEU  71 -19.339  -9.897   7.578
  651    HB3  LEU  71           HB3      LEU  71 -19.756  -8.608   6.458
  652    HG   LEU  71           HG       LEU  71 -16.929  -9.074   7.501
  653   HD11  LEU  71          HD11      LEU  71 -16.505  -9.992   5.254
  654   HD12  LEU  71          HD12      LEU  71 -17.750 -10.939   6.094
  655   HD13  LEU  71          HD13      LEU  71 -18.216  -9.779   4.828
  656   HD21  LEU  71          HD21      LEU  71 -18.050  -7.254   5.335
  657   HD22  LEU  71          HD22      LEU  71 -17.197  -6.768   6.823
  658   HD23  LEU  71          HD23      LEU  71 -16.325  -7.621   5.548
  659    H    GLN  72           H        GLN  72 -20.615  -8.414  10.687
  660    HA   GLN  72           HA       GLN  72 -22.701  -8.489  11.479
  661    HB2  GLN  72           HB2      GLN  72 -23.255  -6.173   9.597
  662    HB3  GLN  72           HB3      GLN  72 -24.208  -6.637  11.007
  663    HG2  GLN  72           HG2      GLN  72 -22.225  -6.215  12.471
  664    HG3  GLN  72           HG3      GLN  72 -21.321  -5.648  11.063
  665   HE21  GLN  72          HE21      GLN  72 -22.582  -2.577  12.643
  666   HE22  GLN  72          HE22      GLN  72 -21.362  -3.803  12.951
  667    H    LEU  73           H        LEU  73 -22.171 -10.299   9.247
  668    HA   LEU  73           HA       LEU  73 -24.740 -10.456   7.772
  669    HB2  LEU  73           HB2      LEU  73 -22.175 -12.066   7.554
  670    HB3  LEU  73           HB3      LEU  73 -23.583 -12.254   6.506
  671    HG   LEU  73           HG       LEU  73 -21.953  -9.688   6.768
  672   HD11  LEU  73          HD11      LEU  73 -20.949 -10.234   4.671
  673   HD12  LEU  73          HD12      LEU  73 -20.651 -11.563   5.799
  674   HD13  LEU  73          HD13      LEU  73 -21.905 -11.730   4.542
  675   HD21  LEU  73          HD21      LEU  73 -23.065  -9.061   4.637
  676   HD22  LEU  73          HD22      LEU  73 -24.080 -10.518   4.738
  677   HD23  LEU  73          HD23      LEU  73 -24.226  -9.225   5.956
  678    H    ASN  74           H        ASN  74 -26.284 -11.103   9.173
  679    HA   ASN  74           HA       ASN  74 -26.043 -13.214  11.104
  680    HB2  ASN  74           HB2      ASN  74 -28.471 -11.943   9.750
  681    HB3  ASN  74           HB3      ASN  74 -28.578 -13.042  11.120
  682   HD21  ASN  74          HD21      ASN  74 -28.576  -9.436  12.276
  683   HD22  ASN  74          HD22      ASN  74 -29.441 -10.216  10.962
  684    H    ALA  75           H        ALA  75 -27.357 -15.245  11.101
  685    HA   ALA  75           HA       ALA  75 -26.312 -16.986   9.194
  686    HB1  ALA  75           HB1      ALA  75 -27.759 -18.666  10.282
  687    HB2  ALA  75           HB2      ALA  75 -27.010 -17.591  11.472
  688    HB3  ALA  75           HB3      ALA  75 -28.717 -17.367  11.029
  689    H    ASN  76           H        ASN  76 -29.388 -15.273   8.964
  690    HA   ASN  76           HA       ASN  76 -30.502 -16.855   6.805
  691    HB2  ASN  76           HB2      ASN  76 -31.059 -14.024   7.789
  692    HB3  ASN  76           HB3      ASN  76 -32.011 -14.849   6.560
  693   HD21  ASN  76          HD21      ASN  76 -33.618 -15.283   9.942
  694   HD22  ASN  76          HD22      ASN  76 -32.987 -13.865   9.117
  695    H    GLN  77           H        GLN  77 -28.009 -14.384   6.796
  696    HA   GLN  77           HA       GLN  77 -28.359 -13.726   3.952
  697    HB2  GLN  77           HB2      GLN  77 -26.221 -12.995   5.992
  698    HB3  GLN  77           HB3      GLN  77 -26.148 -12.520   4.304
  699    HG2  GLN  77           HG2      GLN  77 -28.393 -11.777   6.232
  700    HG3  GLN  77           HG3      GLN  77 -27.066 -10.726   5.754
  701   HE21  GLN  77          HE21      GLN  77 -30.148 -10.078   3.608
  702   HE22  GLN  77          HE22      GLN  77 -29.944 -10.195   5.351
  703    H    ALA  78           H        ALA  78 -27.491 -14.702   2.256
  704    HA   ALA  78           HA       ALA  78 -25.736 -17.013   2.476
  705    HB1  ALA  78           HB1      ALA  78 -25.783 -16.896   0.001
  706    HB2  ALA  78           HB2      ALA  78 -27.417 -16.804   0.691
  707    HB3  ALA  78           HB3      ALA  78 -26.625 -15.329   0.089
  708    H    PHE  79           H        PHE  79 -23.541 -17.011   2.542
  709    HA   PHE  79           HA       PHE  79 -22.026 -14.660   1.682
  710    HB2  PHE  79           HB2      PHE  79 -22.437 -13.842   3.750
  711    HB3  PHE  79           HB3      PHE  79 -22.365 -15.405   4.524
  712    HD1  PHE  79           HD1      PHE  79 -20.372 -16.284   5.478
  713    HD2  PHE  79           HD2      PHE  79 -20.207 -12.755   3.012
  714    HE1  PHE  79           HE1      PHE  79 -18.095 -15.790   6.335
  715    HE2  PHE  79           HE2      PHE  79 -17.920 -12.269   3.877
  716    HZ   PHE  79           HZ       PHE  79 -16.893 -13.761   5.575
  717    H    PHE  80           H        PHE  80 -20.101 -14.808   0.984
  718    HA   PHE  80           HA       PHE  80 -18.576 -17.326   1.232
  719    HB2  PHE  80           HB2      PHE  80 -19.475 -16.003  -1.316
  720    HB3  PHE  80           HB3      PHE  80 -18.042 -17.004  -1.241
  721    HD1  PHE  80           HD1      PHE  80 -18.137 -19.402  -1.159
  722    HD2  PHE  80           HD2      PHE  80 -21.730 -17.054  -0.780
  723    HE1  PHE  80           HE1      PHE  80 -19.514 -21.432  -1.551
  724    HE2  PHE  80           HE2      PHE  80 -23.107 -19.081  -1.171
  725    HZ   PHE  80           HZ       PHE  80 -21.998 -21.280  -1.554
  726    H    LEU  81           H        LEU  81 -16.874 -16.724   2.391
  727    HA   LEU  81           HA       LEU  81 -15.216 -14.427   1.460
  728    HB2  LEU  81           HB2      LEU  81 -15.590 -14.540   3.825
  729    HB3  LEU  81           HB3      LEU  81 -15.122 -16.235   3.897
  730    HG   LEU  81           HG       LEU  81 -12.784 -15.653   3.444
  731   HD11  LEU  81          HD11      LEU  81 -12.134 -13.200   3.414
  732   HD12  LEU  81          HD12      LEU  81 -13.058 -13.677   1.981
  733   HD13  LEU  81          HD13      LEU  81 -13.859 -12.791   3.297
  734   HD21  LEU  81          HD21      LEU  81 -13.434 -15.591   5.770
  735   HD22  LEU  81          HD22      LEU  81 -12.297 -14.279   5.466
  736   HD23  LEU  81          HD23      LEU  81 -14.040 -13.931   5.607
  737    H    LEU  82           H        LEU  82 -13.745 -14.855  -0.077
  738    HA   LEU  82           HA       LEU  82 -13.027 -17.701  -0.695
  739    HB2  LEU  82           HB2      LEU  82 -13.289 -15.296  -2.528
  740    HB3  LEU  82           HB3      LEU  82 -13.047 -16.963  -3.025
  741    HG   LEU  82           HG       LEU  82 -15.573 -15.876  -1.674
  742   HD11  LEU  82          HD11      LEU  82 -16.595 -15.985  -3.850
  743   HD12  LEU  82          HD12      LEU  82 -15.159 -14.977  -3.966
  744   HD13  LEU  82          HD13      LEU  82 -15.109 -16.641  -4.581
  745   HD21  LEU  82          HD21      LEU  82 -14.913 -18.567  -2.970
  746   HD22  LEU  82          HD22      LEU  82 -15.321 -18.280  -1.258
  747   HD23  LEU  82          HD23      LEU  82 -16.540 -18.054  -2.523
  748    H    VAL  83           H        VAL  83 -10.895 -18.221  -0.754
  749    HA   VAL  83           HA       VAL  83  -8.855 -16.072  -0.540
  750    HB   VAL  83           HB       VAL  83  -8.769 -17.924   1.094
  751   HG11  VAL  83          HG11      VAL  83  -9.328 -19.838  -0.462
  752   HG12  VAL  83          HG12      VAL  83  -7.718 -19.655  -1.180
  753   HG13  VAL  83          HG13      VAL  83  -7.882 -20.082   0.534
  754   HG21  VAL  83          HG21      VAL  83  -6.339 -18.216   0.951
  755   HG22  VAL  83          HG22      VAL  83  -6.354 -17.597  -0.715
  756   HG23  VAL  83          HG23      VAL  83  -6.814 -16.538   0.631
  757    H    ASN  84           H        ASN  84  -7.674 -15.408  -2.203
  758    HA   ASN  84           HA       ASN  84  -7.286 -15.023  -4.422
  759    HB2  ASN  84           HB2      ASN  84  -5.620 -16.765  -3.572
  760    HB3  ASN  84           HB3      ASN  84  -6.549 -17.971  -4.459
  761   HD21  ASN  84          HD21      ASN  84  -3.804 -17.090  -6.669
  762   HD22  ASN  84          HD22      ASN  84  -4.118 -17.975  -5.163
  763    H    GLY  85           H        GLY  85 -10.012 -15.398  -4.011
  764    HA2  GLY  85           HA2      GLY  85 -11.928 -15.477  -5.275
  765    HA3  GLY  85           HA3      GLY  85 -10.999 -16.035  -6.662
  766    H    HIS  86           H        HIS  86 -10.354 -18.280  -4.231
  767    HA   HIS  86           HA       HIS  86 -12.544 -20.115  -5.137
  768    HB2  HIS  86           HB2      HIS  86 -10.207 -20.722  -5.730
  769    HB3  HIS  86           HB3      HIS  86  -9.768 -20.712  -4.027
  770    HD1  HIS  86           HD1      HIS  86  -9.777 -23.136  -3.054
  771    HD2  HIS  86           HD2      HIS  86 -12.609 -22.479  -6.126
  772    HE1  HIS  86           HE1      HIS  86 -11.039 -25.356  -3.373
  773    HE2  HIS  86           HE2      HIS  86 -12.749 -24.955  -5.257
  774    H    SER  87           H        SER  87 -13.733 -21.342  -3.637
  775    HA   SER  87           HA       SER  87 -14.036 -20.230  -0.977
  776    HB2  SER  87           HB2      SER  87 -15.923 -21.132  -2.237
  777    HB3  SER  87           HB3      SER  87 -15.192 -22.757  -2.196
  778    HG   SER  87           HG       SER  87 -16.734 -22.477  -0.524
  779    H    MET  88           H        MET  88 -13.684 -21.105   1.012
  780    HA   MET  88           HA       MET  88 -12.180 -23.628   1.339
  781    HB2  MET  88           HB2      MET  88 -10.398 -22.644   2.644
  782    HB3  MET  88           HB3      MET  88 -10.416 -21.974   1.022
  783    HG2  MET  88           HG2      MET  88 -11.570 -20.585   3.473
  784    HG3  MET  88           HG3      MET  88  -9.939 -20.351   2.843
  785    HE1  MET  88           HE1      MET  88 -11.983 -17.879   3.360
  786    HE2  MET  88           HE2      MET  88 -10.256 -17.825   2.899
  787    HE3  MET  88           HE3      MET  88 -11.464 -16.928   1.955
  788    H    VAL  89           H        VAL  89 -14.939 -22.652   2.066
  789    HA   VAL  89           HA       VAL  89 -14.944 -22.107   4.879
  790    HB   VAL  89           HB       VAL  89 -17.265 -22.103   4.863
  791   HG11  VAL  89          HG11      VAL  89 -17.881 -20.685   3.016
  792   HG12  VAL  89          HG12      VAL  89 -16.215 -20.296   3.470
  793   HG13  VAL  89          HG13      VAL  89 -16.543 -21.268   2.021
  794   HG21  VAL  89          HG21      VAL  89 -17.795 -24.270   3.875
  795   HG22  VAL  89          HG22      VAL  89 -18.665 -22.994   3.024
  796   HG23  VAL  89          HG23      VAL  89 -17.223 -23.721   2.283
  797    H    SER  90           H        SER  90 -14.691 -25.164   3.323
  798    HA   SER  90           HA       SER  90 -15.408 -26.714   5.719
  799    HB2  SER  90           HB2      SER  90 -14.762 -28.628   4.291
  800    HB3  SER  90           HB3      SER  90 -15.938 -27.570   3.495
  801    HG   SER  90           HG       SER  90 -14.186 -28.144   2.099
  802    H    VAL  91           H        VAL  91 -12.626 -24.948   4.898
  803    HA   VAL  91           HA       VAL  91 -10.656 -26.998   5.556
  804    HB   VAL  91           HB       VAL  91 -10.328 -24.056   4.876
  805   HG11  VAL  91          HG11      VAL  91  -8.358 -24.769   6.084
  806   HG12  VAL  91          HG12      VAL  91  -8.239 -26.259   5.094
  807   HG13  VAL  91          HG13      VAL  91  -7.971 -24.662   4.368
  808   HG21  VAL  91          HG21      VAL  91  -9.977 -26.591   3.204
  809   HG22  VAL  91          HG22      VAL  91 -11.264 -25.390   3.004
  810   HG23  VAL  91          HG23      VAL  91  -9.590 -24.941   2.670
  811    H    SER  92           H        SER  92  -9.928 -27.507   7.473
  812    HA   SER  92           HA       SER  92 -10.187 -25.659   9.788
  813    HB2  SER  92           HB2      SER  92  -9.683 -28.649   9.618
  814    HB3  SER  92           HB3      SER  92  -9.779 -27.720  11.127
  815    HG   SER  92           HG       SER  92 -11.806 -28.683  10.517
  816    H    THR  93           H        THR  93  -7.792 -26.034   7.615
  817    HA   THR  93           HA       THR  93  -5.530 -26.453   9.287
  818    HB   THR  93           HB       THR  93  -5.726 -26.744   6.755
  819    HG1  THR  93           HG1      THR  93  -3.525 -26.741   6.687
  820   HG21  THR  93          HG21      THR  93  -4.779 -25.016   5.380
  821   HG22  THR  93          HG22      THR  93  -6.105 -24.256   6.276
  822   HG23  THR  93          HG23      THR  93  -4.431 -23.986   6.782
  823    HA   PRO  94           HA       PRO  94  -4.705 -22.536  11.233
  824    HB2  PRO  94           HB2      PRO  94  -1.802 -23.050  10.606
  825    HB3  PRO  94           HB3      PRO  94  -2.559 -22.558  12.158
  826    HG2  PRO  94           HG2      PRO  94  -1.812 -25.124  11.773
  827    HG3  PRO  94           HG3      PRO  94  -3.409 -24.772  12.519
  828    HD2  PRO  94           HD2      PRO  94  -2.789 -25.446   9.637
  829    HD3  PRO  94           HD3      PRO  94  -4.037 -26.144  10.711
  830    H    ILE  95           H        ILE  95  -4.377 -20.361  10.680
  831    HA   ILE  95           HA       ILE  95  -4.576 -19.702   7.947
  832    HB   ILE  95           HB       ILE  95  -5.522 -18.423   9.850
  833   HG12  ILE  95          HG12      ILE  95  -5.111 -16.130   9.029
  834   HG13  ILE  95          HG13      ILE  95  -3.785 -16.703   8.022
  835   HG21  ILE  95          HG21      ILE  95  -3.619 -18.448  11.408
  836   HG22  ILE  95          HG22      ILE  95  -2.669 -17.428  10.312
  837   HG23  ILE  95          HG23      ILE  95  -4.121 -16.796  11.086
  838   HD11  ILE  95          HD11      ILE  95  -6.668 -17.707   7.815
  839   HD12  ILE  95          HD12      ILE  95  -6.000 -16.395   6.832
  840   HD13  ILE  95          HD13      ILE  95  -5.351 -18.033   6.671
  841    H    SER  96           H        SER  96  -1.649 -20.035   9.859
  842    HA   SER  96           HA       SER  96   0.178 -18.645   8.123
  843    HB2  SER  96           HB2      SER  96   1.862 -20.116   9.232
  844    HB3  SER  96           HB3      SER  96   0.811 -19.252  10.372
  845    HG   SER  96           HG       SER  96   1.073 -21.543  10.855
  846    H    GLU  97           H        GLU  97  -1.072 -22.013   8.084
  847    HA   GLU  97           HA       GLU  97   0.571 -22.873   5.856
  848    HB2  GLU  97           HB2      GLU  97  -2.100 -23.947   6.844
  849    HB3  GLU  97           HB3      GLU  97  -1.031 -24.765   5.725
  850    HG2  GLU  97           HG2      GLU  97  -0.396 -24.095   8.637
  851    HG3  GLU  97           HG3      GLU  97  -0.902 -25.661   8.023
  852    H    VAL  98           H        VAL  98  -2.718 -21.483   6.090
  853    HA   VAL  98           HA       VAL  98  -3.224 -21.455   3.266
  854    HB   VAL  98           HB       VAL  98  -4.304 -19.348   5.125
  855   HG11  VAL  98          HG11      VAL  98  -5.543 -20.783   2.730
  856   HG12  VAL  98          HG12      VAL  98  -6.234 -19.412   3.621
  857   HG13  VAL  98          HG13      VAL  98  -4.770 -19.194   2.652
  858   HG21  VAL  98          HG21      VAL  98  -6.231 -20.844   5.567
  859   HG22  VAL  98          HG22      VAL  98  -5.360 -22.183   4.795
  860   HG23  VAL  98          HG23      VAL  98  -4.751 -21.455   6.299
  861    H    TYR  99           H        TYR  99  -1.598 -19.056   5.365
  862    HA   TYR  99           HA       TYR  99  -0.991 -17.210   3.310
  863    HB2  TYR  99           HB2      TYR  99  -0.799 -16.319   5.344
  864    HB3  TYR  99           HB3      TYR  99   0.046 -17.685   6.038
  865    HD1  TYR  99           HD1      TYR  99   2.465 -17.996   5.774
  866    HD2  TYR  99           HD2      TYR  99   0.443 -14.496   4.242
  867    HE1  TYR  99           HE1      TYR  99   4.643 -16.810   5.611
  868    HE2  TYR  99           HE2      TYR  99   2.630 -13.316   4.096
  869    HH   TYR  99           HH       TYR  99   5.725 -14.855   5.045
  870    H    GLU 100           H        GLU 100   1.118 -19.912   4.357
  871    HA   GLU 100           HA       GLU 100   3.116 -19.407   2.385
  872    HB2  GLU 100           HB2      GLU 100   2.206 -21.973   3.732
  873    HB3  GLU 100           HB3      GLU 100   3.605 -21.902   2.678
  874    HG2  GLU 100           HG2      GLU 100   3.289 -20.254   5.223
  875    HG3  GLU 100           HG3      GLU 100   4.132 -21.789   5.116
  876    H    SER 101           H        SER 101  -0.016 -20.978   2.045
  877    HA   SER 101           HA       SER 101   0.549 -22.047  -0.619
  878    HB2  SER 101           HB2      SER 101  -0.904 -23.186   1.006
  879    HB3  SER 101           HB3      SER 101  -2.049 -21.830   0.934
  880    HG   SER 101           HG       SER 101  -2.566 -23.645  -0.477
  881    H    GLU 102           H        GLU 102  -1.367 -19.267   0.625
  882    HA   GLU 102           HA       GLU 102  -1.828 -18.368  -2.190
  883    HB2  GLU 102           HB2      GLU 102  -3.743 -18.346   0.152
  884    HB3  GLU 102           HB3      GLU 102  -4.079 -17.615  -1.412
  885    HG2  GLU 102           HG2      GLU 102  -3.585 -20.572  -0.933
  886    HG3  GLU 102           HG3      GLU 102  -5.144 -19.801  -1.128
  887    H    LYS 103           H        LYS 103   0.215 -17.271  -0.072
  888    HA   LYS 103           HA       LYS 103  -0.559 -14.478   0.074
  889    HB2  LYS 103           HB2      LYS 103   1.758 -13.991   0.596
  890    HB3  LYS 103           HB3      LYS 103   1.117 -15.306   1.570
  891    HG2  LYS 103           HG2      LYS 103   2.281 -16.927  -0.065
  892    HG3  LYS 103           HG3      LYS 103   3.075 -15.505  -0.760
  893    HD2  LYS 103           HD2      LYS 103   4.090 -14.980   1.443
  894    HD3  LYS 103           HD3      LYS 103   3.185 -16.305   2.181
  895    HE2  LYS 103           HE2      LYS 103   5.425 -17.066   1.870
  896    HE3  LYS 103           HE3      LYS 103   4.376 -17.954   0.769
  897    HZ1  LYS 103           HZ1      LYS 103   6.438 -17.206  -0.311
  898    HZ2  LYS 103           HZ2      LYS 103   5.161 -16.519  -1.050
  899    HZ3  LYS 103           HZ3      LYS 103   6.091 -15.640  -0.018
  900    H    ASP 104           H        ASP 104  -0.456 -12.877  -1.308
  901    HA   ASP 104           HA       ASP 104   0.099 -13.386  -4.151
  902    HB2  ASP 104           HB2      ASP 104  -1.905 -12.159  -3.252
  903    HB3  ASP 104           HB3      ASP 104  -0.828 -10.882  -2.684
  904    H    GLU 105           H        GLU 105   1.273 -11.401  -5.280
  905    HA   GLU 105           HA       GLU 105   4.012 -11.737  -4.701
  906    HB2  GLU 105           HB2      GLU 105   2.611  -9.684  -6.450
  907    HB3  GLU 105           HB3      GLU 105   4.360  -9.987  -6.445
  908    HG2  GLU 105           HG2      GLU 105   3.922 -12.382  -7.019
  909    HG3  GLU 105           HG3      GLU 105   2.201 -12.014  -7.173
  910    H    ASP 106           H        ASP 106   1.924  -9.214  -3.422
  911    HA   ASP 106           HA       ASP 106   4.153  -7.550  -2.478
  912    HB2  ASP 106           HB2      ASP 106   2.395  -6.315  -1.218
  913    HB3  ASP 106           HB3      ASP 106   2.205  -6.346  -2.965
  914    H    GLY 107           H        GLY 107   2.817 -10.458  -1.471
  915    HA2  GLY 107           HA2      GLY 107   3.589 -11.788   0.285
  916    HA3  GLY 107           HA3      GLY 107   4.099 -10.368   1.187
  917    H    PHE 108           H        PHE 108   0.939  -9.650   0.167
  918    HA   PHE 108           HA       PHE 108  -0.206 -10.428   2.737
  919    HB2  PHE 108           HB2      PHE 108  -1.226  -8.843   0.420
  920    HB3  PHE 108           HB3      PHE 108  -2.371  -9.574   1.508
  921    HD1  PHE 108           HD1      PHE 108  -2.462  -9.030   3.867
  922    HD2  PHE 108           HD2      PHE 108   0.008  -6.849   1.127
  923    HE1  PHE 108           HE1      PHE 108  -2.359  -7.147   5.502
  924    HE2  PHE 108           HE2      PHE 108   0.121  -4.965   2.727
  925    HZ   PHE 108           HZ       PHE 108  -1.033  -5.123   4.942
  926    H    LEU 109           H        LEU 109  -1.630 -11.998   3.306
  927    HA   LEU 109           HA       LEU 109  -2.241 -14.108   1.339
  928    HB2  LEU 109           HB2      LEU 109  -1.860 -14.812   3.580
  929    HB3  LEU 109           HB3      LEU 109  -2.995 -13.628   4.231
  930    HG   LEU 109           HG       LEU 109  -4.888 -14.799   3.261
  931   HD11  LEU 109          HD11      LEU 109  -4.653 -17.001   2.200
  932   HD12  LEU 109          HD12      LEU 109  -3.898 -15.766   1.216
  933   HD13  LEU 109          HD13      LEU 109  -2.883 -16.835   2.203
  934   HD21  LEU 109          HD21      LEU 109  -4.751 -16.898   4.577
  935   HD22  LEU 109          HD22      LEU 109  -3.012 -16.655   4.769
  936   HD23  LEU 109          HD23      LEU 109  -4.150 -15.493   5.477
  937    H    TYR 110           H        TYR 110  -3.742 -13.810  -0.174
  938    HA   TYR 110           HA       TYR 110  -5.573 -11.547   0.116
  939    HB2  TYR 110           HB2      TYR 110  -4.247 -11.142  -1.632
  940    HB3  TYR 110           HB3      TYR 110  -4.203 -12.812  -2.154
  941    HD1  TYR 110           HD1      TYR 110  -5.229 -13.365  -4.121
  942    HD2  TYR 110           HD2      TYR 110  -6.740 -10.024  -1.843
  943    HE1  TYR 110           HE1      TYR 110  -6.858 -12.864  -5.934
  944    HE2  TYR 110           HE2      TYR 110  -8.366  -9.525  -3.665
  945    HH   TYR 110           HH       TYR 110  -8.481 -11.423  -6.707
  946    H    MET 111           H        MET 111  -7.617 -11.555   0.554
  947    HA   MET 111           HA       MET 111  -9.273 -13.747  -0.575
  948    HB2  MET 111           HB2      MET 111  -9.558 -12.352   2.120
  949    HB3  MET 111           HB3      MET 111 -10.845 -13.259   1.356
  950    HG2  MET 111           HG2      MET 111  -9.945 -14.657   2.954
  951    HG3  MET 111           HG3      MET 111  -9.451 -15.312   1.393
  952    HE1  MET 111           HE1      MET 111  -7.952 -16.799   3.369
  953    HE2  MET 111           HE2      MET 111  -6.786 -15.964   4.423
  954    HE3  MET 111           HE3      MET 111  -8.513 -15.637   4.607
  955    H    VAL 112           H        VAL 112 -11.385 -13.308  -1.183
  956    HA   VAL 112           HA       VAL 112 -12.242 -10.465  -1.295
  957    HB   VAL 112           HB       VAL 112 -13.237 -10.613  -3.402
  958   HG11  VAL 112          HG11      VAL 112 -10.451 -11.816  -3.685
  959   HG12  VAL 112          HG12      VAL 112 -11.331 -10.840  -4.880
  960   HG13  VAL 112          HG13      VAL 112 -10.803 -10.103  -3.360
  961   HG21  VAL 112          HG21      VAL 112 -14.002 -12.950  -3.439
  962   HG22  VAL 112          HG22      VAL 112 -13.090 -12.553  -4.899
  963   HG23  VAL 112          HG23      VAL 112 -12.312 -13.502  -3.614
  964    H    TYR 113           H        TYR 113 -14.458 -10.084  -1.176
  965    HA   TYR 113           HA       TYR 113 -15.965 -12.202   0.249
  966    HB2  TYR 113           HB2      TYR 113 -15.491 -10.973   1.990
  967    HB3  TYR 113           HB3      TYR 113 -15.130  -9.536   1.058
  968    HD1  TYR 113           HD1      TYR 113 -18.350 -11.484   1.610
  969    HD2  TYR 113           HD2      TYR 113 -16.212  -7.744   1.997
  970    HE1  TYR 113           HE1      TYR 113 -20.428 -10.346   2.395
  971    HE2  TYR 113           HE2      TYR 113 -18.292  -6.634   2.767
  972    HH   TYR 113           HH       TYR 113 -20.561  -6.849   3.137
  973    H    ALA 114           H        ALA 114 -17.772 -12.900  -0.537
  974    HA   ALA 114           HA       ALA 114 -19.443 -11.219  -2.372
  975    HB1  ALA 114           HB1      ALA 114 -19.378 -13.072  -3.941
  976    HB2  ALA 114           HB2      ALA 114 -17.744 -12.475  -3.632
  977    HB3  ALA 114           HB3      ALA 114 -18.287 -13.974  -2.863
  978    H    SER 115           H        SER 115 -21.582 -12.137  -2.797
  979    HA   SER 115           HA       SER 115 -22.766 -13.715  -0.586
  980    HB2  SER 115           HB2      SER 115 -24.870 -13.318  -1.666
  981    HB3  SER 115           HB3      SER 115 -23.969 -11.793  -1.680
  982    HG   SER 115           HG       SER 115 -25.012 -12.421  -3.724
  983    H    GLN 116           H        GLN 116 -21.085 -14.470  -3.381
  984    HA   GLN 116           HA       GLN 116 -22.144 -17.218  -3.642
  985    HB2  GLN 116           HB2      GLN 116 -22.734 -16.944  -5.885
  986    HB3  GLN 116           HB3      GLN 116 -23.394 -15.506  -5.132
  987    HG2  GLN 116           HG2      GLN 116 -20.938 -15.712  -6.907
  988    HG3  GLN 116           HG3      GLN 116 -22.490 -14.992  -7.292
  989   HE21  GLN 116          HE21      GLN 116 -21.537 -12.081  -5.015
  990   HE22  GLN 116          HE22      GLN 116 -22.836 -13.243  -4.914
  991    H    GLU 117           H        GLU 117 -20.535 -18.699  -4.571
  992    HA   GLU 117           HA       GLU 117 -17.771 -17.696  -4.643
  993    HB2  GLU 117           HB2      GLU 117 -18.258 -19.974  -3.892
  994    HB3  GLU 117           HB3      GLU 117 -18.879 -20.392  -5.503
  995    HG2  GLU 117           HG2      GLU 117 -16.677 -20.016  -6.498
  996    HG3  GLU 117           HG3      GLU 117 -16.061 -19.341  -4.988
  997    H    THR 118           H        THR 118 -20.243 -18.569  -7.025
  998    HA   THR 118           HA       THR 118 -19.162 -16.690  -8.955
  999    HB   THR 118           HB       THR 118 -17.813 -18.645  -9.556
 1000    HG1  THR 118           HG1      THR 118 -18.357 -18.584 -11.704
 1001   HG21  THR 118          HG21      THR 118 -18.807 -20.664 -10.512
 1002   HG22  THR 118          HG22      THR 118 -19.329 -20.491  -8.833
 1003   HG23  THR 118          HG23      THR 118 -20.445 -20.078 -10.155
 1004    H    PHE 119           H        PHE 119 -20.686 -16.194 -10.642
 1005    HA   PHE 119           HA       PHE 119 -23.474 -16.744  -9.933
 1006    HB2  PHE 119           HB2      PHE 119 -22.217 -14.936 -11.979
 1007    HB3  PHE 119           HB3      PHE 119 -23.940 -15.267 -11.948
 1008    HD1  PHE 119           HD1      PHE 119 -21.318 -13.280 -10.480
 1009    HD2  PHE 119           HD2      PHE 119 -25.275 -14.854  -9.789
 1010    HE1  PHE 119           HE1      PHE 119 -21.683 -11.586  -8.709
 1011    HE2  PHE 119           HE2      PHE 119 -25.637 -13.158  -8.010
 1012    HZ   PHE 119           HZ       PHE 119 -23.846 -11.519  -7.471
 1013    H    GLY 120           H        GLY 120 -21.257 -18.317 -11.904
 1014    HA2  GLY 120           HA2      GLY 120 -22.672 -20.565 -12.559
 1015    HA3  GLY 120           HA3      GLY 120 -23.172 -19.454 -13.835
 1016    H1   ASP  10           H1       ASP  10 -11.059  -0.465  16.778
 1017    H2   ASP  10           H2       ASP  10 -10.795  -1.415  18.094
 1018    H3   ASP  10           H3       ASP  10 -11.284   0.147  18.291
 1019    HA   ASP  10           HA       ASP  10  -9.293   1.005  17.392
 1020    HB2  ASP  10           HB2      ASP  10  -8.821  -0.919  19.673
 1021    HB3  ASP  10           HB3      ASP  10  -7.603   0.210  19.070
 1022    H    TYR  11           H        TYR  11  -7.803   0.960  15.898
 1023    HA   TYR  11           HA       TYR  11  -6.531   0.283  14.256
 1024    HB2  TYR  11           HB2      TYR  11  -5.571  -1.659  16.318
 1025    HB3  TYR  11           HB3      TYR  11  -4.806  -1.461  14.756
 1026    HD1  TYR  11           HD1      TYR  11  -3.712   0.739  14.073
 1027    HD2  TYR  11           HD2      TYR  11  -5.229  -0.026  18.053
 1028    HE1  TYR  11           HE1      TYR  11  -2.366   2.605  14.948
 1029    HE2  TYR  11           HE2      TYR  11  -3.875   1.872  18.918
 1030    HH   TYR  11           HH       TYR  11  -1.780   3.862  16.784
 1031    H    GLU  12           H        GLU  12  -9.212  -1.119  14.247
 1032    HA   GLU  12           HA       GLU  12  -8.957  -3.717  13.252
 1033    HB2  GLU  12           HB2      GLU  12 -11.292  -3.506  12.581
 1034    HB3  GLU  12           HB3      GLU  12 -10.994  -2.973  14.219
 1035    HG2  GLU  12           HG2      GLU  12 -11.191  -1.045  11.843
 1036    HG3  GLU  12           HG3      GLU  12 -12.607  -1.634  12.705
 1037    H    SER  13           H        SER  13  -8.303  -0.916  11.323
 1038    HA   SER  13           HA       SER  13  -7.355  -2.583   9.186
 1039    HB2  SER  13           HB2      SER  13  -9.998  -1.231   8.714
 1040    HB3  SER  13           HB3      SER  13  -8.827  -1.294   7.380
 1041    HG   SER  13           HG       SER  13  -9.449  -3.582   8.908
 1042    H    ASP  14           H        ASP  14  -6.088  -0.943  10.819
 1043    HA   ASP  14           HA       ASP  14  -5.867   1.761   9.768
 1044    HB2  ASP  14           HB2      ASP  14  -4.850   0.360  12.194
 1045    HB3  ASP  14           HB3      ASP  14  -4.207   1.938  11.751
 1046    H    ASP  15           H        ASP  15  -3.377   2.649  10.095
 1047    HA   ASP  15           HA       ASP  15  -1.783   1.204   8.072
 1048    HB2  ASP  15           HB2      ASP  15  -2.651   4.065   7.895
 1049    HB3  ASP  15           HB3      ASP  15  -1.263   3.430   7.008
 1050    H    ASP  16           H        ASP  16   0.444   1.820   7.781
 1051    HA   ASP  16           HA       ASP  16   2.507   1.774   8.526
 1052    HB2  ASP  16           HB2      ASP  16   2.568   4.018   8.671
 1053    HB3  ASP  16           HB3      ASP  16   1.531   4.096  10.094
 1054    H    SER  17           H        SER  17   0.615   1.599  11.552
 1055    HA   SER  17           HA       SER  17   1.933  -0.937  12.204
 1056    HB2  SER  17           HB2      SER  17   3.595   0.675  13.076
 1057    HB3  SER  17           HB3      SER  17   2.324   1.452  14.049
 1058    HG   SER  17           HG       SER  17   3.520  -0.113  15.258
 1059    H    TYR  18           H        TYR  18   0.642  -2.220  13.450
 1060    HA   TYR  18           HA       TYR  18  -1.641  -1.235  14.914
 1061    HB2  TYR  18           HB2      TYR  18  -3.275  -2.390  13.228
 1062    HB3  TYR  18           HB3      TYR  18  -2.727  -0.760  13.004
 1063    HD1  TYR  18           HD1      TYR  18  -1.844  -4.235  11.902
 1064    HD2  TYR  18           HD2      TYR  18  -1.736  -0.022  11.086
 1065    HE1  TYR  18           HE1      TYR  18  -1.221  -4.735   9.542
 1066    HE2  TYR  18           HE2      TYR  18  -0.843  -0.528   8.784
 1067    HH   TYR  18           HH       TYR  18  -0.676  -3.869   7.518
 1068    H    GLU  19           H        GLU  19  -3.117  -2.715  15.842
 1069    HA   GLU  19           HA       GLU  19  -1.945  -5.376  16.385
 1070    HB2  GLU  19           HB2      GLU  19  -2.663  -3.897  18.229
 1071    HB3  GLU  19           HB3      GLU  19  -4.310  -3.909  17.615
 1072    HG2  GLU  19           HG2      GLU  19  -4.033  -5.432  19.528
 1073    HG3  GLU  19           HG3      GLU  19  -4.537  -6.285  18.077
 1074    H    VAL  20           H        VAL  20  -5.134  -4.159  15.276
 1075    HA   VAL  20           HA       VAL  20  -6.768  -4.954  14.093
 1076    HB   VAL  20           HB       VAL  20  -5.263  -6.840  12.406
 1077   HG11  VAL  20          HG11      VAL  20  -6.937  -4.373  11.836
 1078   HG12  VAL  20          HG12      VAL  20  -6.222  -5.379  10.614
 1079   HG13  VAL  20          HG13      VAL  20  -7.483  -6.051  11.640
 1080   HG21  VAL  20          HG21      VAL  20  -4.071  -5.056  11.209
 1081   HG22  VAL  20          HG22      VAL  20  -4.602  -3.888  12.432
 1082   HG23  VAL  20          HG23      VAL  20  -3.482  -5.217  12.870
 1083    H    LEU  21           H        LEU  21  -8.225  -6.547  13.275
 1084    HA   LEU  21           HA       LEU  21  -9.601  -8.293  13.366
 1085    HB2  LEU  21           HB2      LEU  21  -7.414  -9.695  13.242
 1086    HB3  LEU  21           HB3      LEU  21  -7.683  -9.976  14.954
 1087    HG   LEU  21           HG       LEU  21  -9.956 -10.975  14.334
 1088   HD11  LEU  21          HD11      LEU  21 -10.313 -10.033  12.100
 1089   HD12  LEU  21          HD12      LEU  21  -8.784 -10.747  11.518
 1090   HD13  LEU  21          HD13      LEU  21 -10.151 -11.780  11.966
 1091   HD21  LEU  21          HD21      LEU  21  -7.943 -12.343  14.800
 1092   HD22  LEU  21          HD22      LEU  21  -8.976 -13.085  13.570
 1093   HD23  LEU  21          HD23      LEU  21  -7.491 -12.230  13.083
 1094    H    ASP  22           H        ASP  22  -8.807  -6.358  15.681
 1095    HA   ASP  22           HA       ASP  22  -9.463  -5.783  17.685
 1096    HB2  ASP  22           HB2      ASP  22 -11.921  -5.244  17.713
 1097    HB3  ASP  22           HB3      ASP  22 -10.938  -4.678  16.370
 1098    H    LEU  23           H        LEU  23  -8.826  -8.554  17.950
 1099    HA   LEU  23           HA       LEU  23 -10.113  -9.018  20.551
 1100    HB2  LEU  23           HB2      LEU  23 -11.091 -10.975  20.161
 1101    HB3  LEU  23           HB3      LEU  23 -11.297 -10.336  18.546
 1102    HG   LEU  23           HG       LEU  23  -9.110 -12.302  19.410
 1103   HD11  LEU  23          HD11      LEU  23 -11.330 -13.318  19.581
 1104   HD12  LEU  23          HD12      LEU  23 -11.706 -12.817  17.920
 1105   HD13  LEU  23          HD13      LEU  23 -10.419 -14.006  18.232
 1106   HD21  LEU  23          HD21      LEU  23  -8.789 -12.738  17.033
 1107   HD22  LEU  23          HD22      LEU  23 -10.039 -11.535  16.617
 1108   HD23  LEU  23          HD23      LEU  23  -8.506 -11.018  17.354
 1109    H    THR  24           H        THR  24  -8.984 -10.442  21.965
 1110    HA   THR  24           HA       THR  24  -6.123 -10.798  21.320
 1111    HB   THR  24           HB       THR  24  -5.478 -10.806  23.472
 1112    HG1  THR  24           HG1      THR  24  -6.851 -11.079  25.225
 1113   HG21  THR  24          HG21      THR  24  -6.326  -8.540  22.798
 1114   HG22  THR  24          HG22      THR  24  -7.870  -8.914  23.603
 1115   HG23  THR  24          HG23      THR  24  -6.369  -8.821  24.542
 1116    H    GLU  25           H        GLU  25  -5.031 -12.717  21.371
 1117    HA   GLU  25           HA       GLU  25  -6.432 -15.238  21.844
 1118    HB2  GLU  25           HB2      GLU  25  -6.103 -14.060  19.122
 1119    HB3  GLU  25           HB3      GLU  25  -5.522 -15.704  19.256
 1120    HG2  GLU  25           HG2      GLU  25  -8.333 -14.748  19.877
 1121    HG3  GLU  25           HG3      GLU  25  -7.812 -15.660  18.474
 1122    H    TYR  26           H        TYR  26  -5.112 -17.121  21.335
 1123    HA   TYR  26           HA       TYR  26  -2.464 -16.938  22.403
 1124    HB2  TYR  26           HB2      TYR  26  -3.516 -18.834  23.054
 1125    HB3  TYR  26           HB3      TYR  26  -4.186 -19.152  21.463
 1126    HD1  TYR  26           HD1      TYR  26  -3.318 -20.911  20.216
 1127    HD2  TYR  26           HD2      TYR  26  -0.815 -18.968  23.140
 1128    HE1  TYR  26           HE1      TYR  26  -1.520 -22.569  19.769
 1129    HE2  TYR  26           HE2      TYR  26   0.995 -20.625  22.682
 1130    HH   TYR  26           HH       TYR  26   0.599 -23.288  20.307
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -6.914   3.397   6.776
    2    H2   MET   1           H2       MET   1  -7.598   2.287   7.744
    3    H3   MET   1           H3       MET   1  -7.119   1.858   6.239
    4    HA   MET   1           HA       MET   1  -9.294   3.806   6.828
    5    HB2  MET   1           HB2      MET   1  -8.273   2.817   4.126
    6    HB3  MET   1           HB3      MET   1  -9.844   3.562   4.371
    7    HG2  MET   1           HG2      MET   1  -8.727   5.589   5.341
    8    HG3  MET   1           HG3      MET   1  -7.174   4.874   4.916
    9    HE1  MET   1           HE1      MET   1 -10.133   7.036   3.787
   10    HE2  MET   1           HE2      MET   1 -10.263   6.756   2.039
   11    HE3  MET   1           HE3      MET   1 -10.753   5.484   3.178
   12    HA   PRO   2           HA       PRO   2 -11.389  -0.298   6.913
   13    HB2  PRO   2           HB2      PRO   2 -12.733  -0.192   9.244
   14    HB3  PRO   2           HB3      PRO   2 -10.980  -0.512   9.171
   15    HG2  PRO   2           HG2      PRO   2 -12.380   2.080   9.849
   16    HG3  PRO   2           HG3      PRO   2 -10.966   1.329  10.635
   17    HD2  PRO   2           HD2      PRO   2 -10.852   3.342   8.669
   18    HD3  PRO   2           HD3      PRO   2  -9.524   2.226   9.067
   19    H    SER   3           H        SER   3 -13.019   2.789   7.911
   20    HA   SER   3           HA       SER   3 -15.630   1.857   7.397
   21    HB2  SER   3           HB2      SER   3 -14.602   4.705   7.617
   22    HB3  SER   3           HB3      SER   3 -16.298   4.199   7.745
   23    HG   SER   3           HG       SER   3 -15.320   4.382   9.814
   24    H    GLU   4           H        GLU   4 -13.479   3.565   5.152
   25    HA   GLU   4           HA       GLU   4 -15.607   3.515   3.063
   26    HB2  GLU   4           HB2      GLU   4 -13.997   5.977   3.854
   27    HB3  GLU   4           HB3      GLU   4 -15.027   5.830   2.422
   28    HG2  GLU   4           HG2      GLU   4 -16.986   5.386   3.923
   29    HG3  GLU   4           HG3      GLU   4 -15.949   5.724   5.319
   30    H    LYS   5           H        LYS   5 -14.938   3.518   0.964
   31    HA   LYS   5           HA       LYS   5 -13.732   2.892  -0.837
   32    HB2  LYS   5           HB2      LYS   5 -11.465   4.431   0.495
   33    HB3  LYS   5           HB3      LYS   5 -11.538   3.954  -1.205
   34    HG2  LYS   5           HG2      LYS   5 -13.617   5.301  -1.488
   35    HG3  LYS   5           HG3      LYS   5 -13.473   5.848   0.194
   36    HD2  LYS   5           HD2      LYS   5 -11.203   6.768  -0.330
   37    HD3  LYS   5           HD3      LYS   5 -11.449   6.365  -2.032
   38    HE2  LYS   5           HE2      LYS   5 -13.209   8.242  -0.370
   39    HE3  LYS   5           HE3      LYS   5 -11.911   8.767  -1.438
   40    HZ1  LYS   5           HZ1      LYS   5 -14.386   7.359  -2.322
   41    HZ2  LYS   5           HZ2      LYS   5 -14.024   8.927  -2.573
   42    HZ3  LYS   5           HZ3      LYS   5 -13.154   7.772  -3.320
   43    H    THR   6           H        THR   6 -11.596   1.847  -1.666
   44    HA   THR   6           HA       THR   6 -11.254  -0.659  -0.201
   45    HB   THR   6           HB       THR   6 -10.285  -1.620  -2.002
   46    HG1  THR   6           HG1      THR   6  -9.341  -0.246  -3.700
   47   HG21  THR   6          HG21      THR   6 -12.568  -0.763  -2.671
   48   HG22  THR   6          HG22      THR   6 -11.748   0.604  -3.479
   49   HG23  THR   6          HG23      THR   6 -11.452  -1.059  -4.010
   50    H    PHE   7           H        PHE   7  -9.240  -1.628   0.478
   51    HA   PHE   7           HA       PHE   7  -7.360   0.365   1.535
   52    HB2  PHE   7           HB2      PHE   7  -7.694  -1.298   3.040
   53    HB3  PHE   7           HB3      PHE   7  -7.514  -2.589   1.854
   54    HD1  PHE   7           HD1      PHE   7  -5.529  -3.837   2.017
   55    HD2  PHE   7           HD2      PHE   7  -5.529   0.279   3.261
   56    HE1  PHE   7           HE1      PHE   7  -3.144  -4.038   2.756
   57    HE2  PHE   7           HE2      PHE   7  -3.229   0.043   4.096
   58    HZ   PHE   7           HZ       PHE   7  -1.985  -2.092   3.747
   59    H    LYS   8           H        LYS   8  -7.477  -1.505  -1.402
   60    HA   LYS   8           HA       LYS   8  -4.697  -1.179  -2.224
   61    HB2  LYS   8           HB2      LYS   8  -6.248  -2.748  -3.318
   62    HB3  LYS   8           HB3      LYS   8  -7.331  -1.439  -3.740
   63    HG2  LYS   8           HG2      LYS   8  -6.228  -2.066  -5.716
   64    HG3  LYS   8           HG3      LYS   8  -5.610  -0.483  -5.278
   65    HD2  LYS   8           HD2      LYS   8  -3.549  -1.622  -4.312
   66    HD3  LYS   8           HD3      LYS   8  -4.223  -3.173  -4.869
   67    HE2  LYS   8           HE2      LYS   8  -4.396  -2.070  -7.202
   68    HE3  LYS   8           HE3      LYS   8  -3.397  -0.760  -6.554
   69    HZ1  LYS   8           HZ1      LYS   8  -2.590  -3.633  -6.738
   70    HZ2  LYS   8           HZ2      LYS   8  -2.032  -2.426  -7.678
   71    HZ3  LYS   8           HZ3      LYS   8  -1.654  -2.451  -6.088
   72    H    GLN   9           H        GLN   9  -7.533   0.936  -2.427
   73    HA   GLN   9           HA       GLN   9  -6.255   3.128  -3.755
   74    HB2  GLN   9           HB2      GLN   9  -8.538   3.075  -3.808
   75    HB3  GLN   9           HB3      GLN   9  -8.750   2.710  -2.124
   76    HG2  GLN   9           HG2      GLN   9  -7.786   5.412  -3.146
   77    HG3  GLN   9           HG3      GLN   9  -9.476   4.990  -2.892
   78   HE21  GLN   9          HE21      GLN   9  -8.581   4.772   0.838
   79   HE22  GLN   9          HE22      GLN   9  -8.775   3.403  -0.254
   80    H    ARG  10           H        ARG  10  -6.004   2.091  -0.379
   81    HA   ARG  10           HA       ARG  10  -4.749   4.662   0.391
   82    HB2  ARG  10           HB2      ARG  10  -6.383   3.610   1.937
   83    HB3  ARG  10           HB3      ARG  10  -5.363   2.182   2.045
   84    HG2  ARG  10           HG2      ARG  10  -5.012   3.515   4.034
   85    HG3  ARG  10           HG3      ARG  10  -3.541   3.569   3.079
   86    HD2  ARG  10           HD2      ARG  10  -4.555   5.840   2.124
   87    HD3  ARG  10           HD3      ARG  10  -5.631   5.715   3.505
   88    HE   ARG  10           HE       ARG  10  -3.910   6.193   4.960
   89   HH11  ARG  10          HH11      ARG  10  -2.340   5.676   1.819
   90   HH12  ARG  10          HH12      ARG  10  -1.054   6.770   2.226
   91   HH21  ARG  10          HH21      ARG  10  -0.913   7.676   4.222
   92   HH22  ARG  10          HH22      ARG  10  -2.188   7.496   5.390
   93    H    ARG  11           H        ARG  11  -3.708   1.216   0.228
   94    HA   ARG  11           HA       ARG  11  -0.857   2.222   0.087
   95    HB2  ARG  11           HB2      ARG  11  -1.891  -0.376   1.288
   96    HB3  ARG  11           HB3      ARG  11  -0.186   0.003   1.068
   97    HG2  ARG  11           HG2      ARG  11  -2.076   1.664   2.778
   98    HG3  ARG  11           HG3      ARG  11  -1.102   0.324   3.399
   99    HD2  ARG  11           HD2      ARG  11   0.919   1.435   3.157
  100    HD3  ARG  11           HD3      ARG  11   0.259   2.578   1.971
  101    HE   ARG  11           HE       ARG  11  -0.321   3.983   3.626
  102   HH11  ARG  11          HH11      ARG  11   0.189   0.908   5.377
  103   HH12  ARG  11          HH12      ARG  11  -0.407   1.641   6.843
  104   HH21  ARG  11          HH21      ARG  11  -0.900   4.746   5.648
  105   HH22  ARG  11          HH22      ARG  11  -1.057   3.606   6.967
  106    H    THR  12           H        THR  12   0.011   2.074  -1.792
  107    HA   THR  12           HA       THR  12  -0.691   0.050  -3.841
  108    HB   THR  12           HB       THR  12   0.985   1.305  -5.193
  109    HG1  THR  12           HG1      THR  12   1.868   3.189  -4.304
  110   HG21  THR  12          HG21      THR  12  -1.008   3.194  -3.857
  111   HG22  THR  12          HG22      THR  12  -0.262   3.368  -5.460
  112   HG23  THR  12          HG23      THR  12  -1.405   2.045  -5.160
  113    H    PHE  13           H        PHE  13   1.414  -0.935  -4.962
  114    HA   PHE  13           HA       PHE  13   2.180  -2.932  -3.262
  115    HB2  PHE  13           HB2      PHE  13   2.222  -3.428  -5.494
  116    HB3  PHE  13           HB3      PHE  13   3.289  -2.095  -5.897
  117    HD1  PHE  13           HD1      PHE  13   3.181  -5.466  -4.340
  118    HD2  PHE  13           HD2      PHE  13   5.701  -2.283  -5.794
  119    HE1  PHE  13           HE1      PHE  13   5.160  -6.958  -4.170
  120    HE2  PHE  13           HE2      PHE  13   7.678  -3.782  -5.629
  121    HZ   PHE  13           HZ       PHE  13   7.411  -6.112  -4.809
  122    H    GLU  14           H        GLU  14   4.493  -0.260  -3.950
  123    HA   GLU  14           HA       GLU  14   6.536  -1.370  -2.258
  124    HB2  GLU  14           HB2      GLU  14   5.996   1.524  -3.048
  125    HB3  GLU  14           HB3      GLU  14   7.456   0.940  -2.240
  126    HG2  GLU  14           HG2      GLU  14   7.855  -0.630  -4.163
  127    HG3  GLU  14           HG3      GLU  14   6.485   0.101  -5.004
  128    H    GLN  15           H        GLN  15   3.681   0.560  -1.484
  129    HA   GLN  15           HA       GLN  15   4.511   1.049   1.293
  130    HB2  GLN  15           HB2      GLN  15   1.732   1.359   0.113
  131    HB3  GLN  15           HB3      GLN  15   2.413   2.089   1.573
  132    HG2  GLN  15           HG2      GLN  15   3.141   2.760  -1.299
  133    HG3  GLN  15           HG3      GLN  15   2.215   3.752  -0.186
  134   HE21  GLN  15          HE21      GLN  15   5.842   4.898  -0.330
  135   HE22  GLN  15          HE22      GLN  15   4.673   4.537  -1.593
  136    H    ARG  16           H        ARG  16   2.463  -1.314  -0.447
  137    HA   ARG  16           HA       ARG  16   1.562  -2.796   1.872
  138    HB2  ARG  16           HB2      ARG  16   2.094  -3.661  -1.004
  139    HB3  ARG  16           HB3      ARG  16   1.396  -4.709   0.209
  140    HG2  ARG  16           HG2      ARG  16   0.085  -2.065  -0.520
  141    HG3  ARG  16           HG3      ARG  16  -0.176  -3.541  -1.442
  142    HD2  ARG  16           HD2      ARG  16  -0.820  -4.661   0.813
  143    HD3  ARG  16           HD3      ARG  16  -0.841  -3.035   1.480
  144    HE   ARG  16           HE       ARG  16  -2.817  -2.577   0.335
  145   HH11  ARG  16          HH11      ARG  16  -4.708  -3.149  -0.699
  146   HH12  ARG  16          HH12      ARG  16  -4.730  -4.544  -1.744
  147   HH21  ARG  16          HH21      ARG  16  -1.517  -5.505  -1.145
  148   HH22  ARG  16          HH22      ARG  16  -3.001  -5.788  -2.023
  149    H    VAL  17           H        VAL  17   4.514  -3.076  -0.102
  150    HA   VAL  17           HA       VAL  17   5.730  -5.268   1.288
  151    HB   VAL  17           HB       VAL  17   6.894  -2.885  -0.198
  152   HG11  VAL  17          HG11      VAL  17   9.053  -4.119  -0.241
  153   HG12  VAL  17          HG12      VAL  17   8.638  -3.549   1.376
  154   HG13  VAL  17          HG13      VAL  17   8.404  -5.257   0.958
  155   HG21  VAL  17          HG21      VAL  17   6.751  -5.847  -0.895
  156   HG22  VAL  17          HG22      VAL  17   5.660  -4.607  -1.531
  157   HG23  VAL  17          HG23      VAL  17   7.377  -4.543  -1.924
  158    H    GLU  18           H        GLU  18   5.882  -1.687   2.012
  159    HA   GLU  18           HA       GLU  18   7.390  -2.094   4.405
  160    HB2  GLU  18           HB2      GLU  18   6.964   0.138   3.145
  161    HB3  GLU  18           HB3      GLU  18   5.419   0.161   4.022
  162    HG2  GLU  18           HG2      GLU  18   6.934   1.545   5.187
  163    HG3  GLU  18           HG3      GLU  18   6.568   0.128   6.155
  164    H    ASP  19           H        ASP  19   3.799  -1.834   4.000
  165    HA   ASP  19           HA       ASP  19   3.092  -2.251   6.686
  166    HB2  ASP  19           HB2      ASP  19   1.663  -3.022   4.151
  167    HB3  ASP  19           HB3      ASP  19   1.043  -3.464   5.726
  168    H    VAL  20           H        VAL  20   3.713  -4.933   4.335
  169    HA   VAL  20           HA       VAL  20   3.398  -6.880   6.457
  170    HB   VAL  20           HB       VAL  20   4.086  -8.579   5.027
  171   HG11  VAL  20          HG11      VAL  20   1.843  -7.500   4.630
  172   HG12  VAL  20          HG12      VAL  20   2.560  -6.607   3.287
  173   HG13  VAL  20          HG13      VAL  20   2.508  -8.384   3.243
  174   HG21  VAL  20          HG21      VAL  20   5.057  -6.506   3.045
  175   HG22  VAL  20          HG22      VAL  20   6.079  -7.631   3.963
  176   HG23  VAL  20          HG23      VAL  20   4.943  -8.251   2.759
  177    H    ARG  21           H        ARG  21   6.272  -5.098   5.335
  178    HA   ARG  21           HA       ARG  21   8.174  -6.619   6.894
  179    HB2  ARG  21           HB2      ARG  21   8.700  -4.987   5.029
  180    HB3  ARG  21           HB3      ARG  21   8.311  -3.661   6.135
  181    HG2  ARG  21           HG2      ARG  21  10.125  -4.496   7.689
  182    HG3  ARG  21           HG3      ARG  21  10.488  -5.759   6.503
  183    HD2  ARG  21           HD2      ARG  21  12.078  -4.097   6.029
  184    HD3  ARG  21           HD3      ARG  21  10.848  -3.853   4.800
  185    HE   ARG  21           HE       ARG  21  10.250  -1.795   5.755
  186   HH11  ARG  21          HH11      ARG  21  12.647  -3.318   7.856
  187   HH12  ARG  21          HH12      ARG  21  12.918  -1.838   8.733
  188   HH21  ARG  21          HH21      ARG  21  10.556  -0.028   6.978
  189   HH22  ARG  21          HH22      ARG  21  11.788  -0.003   8.224
  190    H    LEU  22           H        LEU  22   6.300  -3.688   7.650
  191    HA   LEU  22           HA       LEU  22   7.104  -3.326  10.379
  192    HB2  LEU  22           HB2      LEU  22   4.578  -2.637   8.815
  193    HB3  LEU  22           HB3      LEU  22   4.794  -2.162  10.490
  194    HG   LEU  22           HG       LEU  22   6.852  -1.378   8.391
  195   HD11  LEU  22          HD11      LEU  22   4.743  -0.525   7.496
  196   HD12  LEU  22          HD12      LEU  22   4.270   0.096   9.100
  197   HD13  LEU  22          HD13      LEU  22   5.636   0.805   8.209
  198   HD21  LEU  22          HD21      LEU  22   7.268   0.470   9.951
  199   HD22  LEU  22          HD22      LEU  22   5.979  -0.118  11.024
  200   HD23  LEU  22          HD23      LEU  22   7.448  -1.085  10.774
  201    H    ILE  23           H        ILE  23   4.272  -5.100   9.023
  202    HA   ILE  23           HA       ILE  23   3.363  -6.098  11.537
  203    HB   ILE  23           HB       ILE  23   2.938  -6.907   8.652
  204   HG12  ILE  23          HG12      ILE  23   1.842  -4.840   9.321
  205   HG13  ILE  23          HG13      ILE  23   0.644  -6.091   9.068
  206   HG21  ILE  23          HG21      ILE  23   2.658  -9.018   9.775
  207   HG22  ILE  23          HG22      ILE  23   1.638  -8.278  11.030
  208   HG23  ILE  23          HG23      ILE  23   1.079  -8.368   9.345
  209   HD11  ILE  23          HD11      ILE  23   0.696  -6.389  11.672
  210   HD12  ILE  23          HD12      ILE  23   1.586  -4.852  11.672
  211   HD13  ILE  23          HD13      ILE  23  -0.047  -4.928  11.017
  212    H    ARG  24           H        ARG  24   5.579  -7.716   9.209
  213    HA   ARG  24           HA       ARG  24   5.945 -10.080  10.776
  214    HB2  ARG  24           HB2      ARG  24   6.555  -9.917   8.409
  215    HB3  ARG  24           HB3      ARG  24   7.744  -8.667   8.763
  216    HG2  ARG  24           HG2      ARG  24   8.844 -10.764   8.323
  217    HG3  ARG  24           HG3      ARG  24   9.140 -10.272   9.987
  218    HD2  ARG  24           HD2      ARG  24   7.470 -11.903  10.789
  219    HD3  ARG  24           HD3      ARG  24   7.081 -12.347   9.109
  220    HE   ARG  24           HE       ARG  24   9.883 -12.650   9.507
  221   HH11  ARG  24          HH11      ARG  24  10.836 -14.633   9.667
  222   HH12  ARG  24          HH12      ARG  24   9.914 -16.012  10.186
  223   HH21  ARG  24          HH21      ARG  24   6.973 -14.303  10.637
  224   HH22  ARG  24          HH22      ARG  24   7.791 -15.833  10.694
  225    H    GLU  25           H        GLU  25   7.731  -6.972  10.863
  226    HA   GLU  25           HA       GLU  25   9.582  -7.766  12.914
  227    HB2  GLU  25           HB2      GLU  25   9.989  -5.862  11.445
  228    HB3  GLU  25           HB3      GLU  25   8.541  -5.055  12.031
  229    HG2  GLU  25           HG2      GLU  25  10.445  -4.005  13.002
  230    HG3  GLU  25           HG3      GLU  25   9.528  -4.799  14.271
  231    H    GLN  26           H        GLN  26   6.379  -6.150  13.149
  232    HA   GLN  26           HA       GLN  26   6.411  -5.808  16.002
  233    HB2  GLN  26           HB2      GLN  26   4.158  -6.003  13.973
  234    HB3  GLN  26           HB3      GLN  26   3.888  -5.634  15.680
  235    HG2  GLN  26           HG2      GLN  26   4.992  -3.553  15.554
  236    HG3  GLN  26           HG3      GLN  26   5.760  -3.925  14.013
  237   HE21  GLN  26          HE21      GLN  26   1.757  -3.417  13.380
  238   HE22  GLN  26          HE22      GLN  26   2.266  -4.679  14.482
  239    H    HIS  27           H        HIS  27   4.909  -8.356  13.975
  240    HA   HIS  27           HA       HIS  27   4.511 -10.109  16.382
  241    HB2  HIS  27           HB2      HIS  27   2.370  -9.518  14.291
  242    HB3  HIS  27           HB3      HIS  27   2.199 -10.468  15.772
  243    HD1  HIS  27           HD1      HIS  27   3.006  -8.496  18.025
  244    HD2  HIS  27           HD2      HIS  27   0.835  -7.515  14.532
  245    HE1  HIS  27           HE1      HIS  27   1.592  -6.424  18.604
  246    HE2  HIS  27           HE2      HIS  27   0.270  -5.819  16.463
  247    HA   PRO  28           HA       PRO  28   6.586 -12.153  12.790
  248    HB2  PRO  28           HB2      PRO  28   7.506 -13.933  15.060
  249    HB3  PRO  28           HB3      PRO  28   8.417 -13.387  13.611
  250    HG2  PRO  28           HG2      PRO  28   8.797 -12.141  15.978
  251    HG3  PRO  28           HG3      PRO  28   8.605 -11.158  14.494
  252    HD2  PRO  28           HD2      PRO  28   6.546 -11.791  16.613
  253    HD3  PRO  28           HD3      PRO  28   6.906 -10.233  15.808
  254    H    THR  29           H        THR  29   4.603 -13.754  15.264
  255    HA   THR  29           HA       THR  29   4.018 -16.089  13.629
  256    HB   THR  29           HB       THR  29   2.761 -16.928  15.398
  257    HG1  THR  29           HG1      THR  29   2.070 -15.618  17.115
  258   HG21  THR  29          HG21      THR  29   4.175 -16.814  17.338
  259   HG22  THR  29          HG22      THR  29   5.230 -16.735  15.918
  260   HG23  THR  29          HG23      THR  29   4.870 -15.257  16.844
  261    H    LYS  30           H        LYS  30   2.750 -12.977  13.334
  262    HA   LYS  30           HA       LYS  30   0.068 -14.016  12.545
  263    HB2  LYS  30           HB2      LYS  30   0.914 -11.172  13.139
  264    HB3  LYS  30           HB3      LYS  30  -0.678 -11.671  12.527
  265    HG2  LYS  30           HG2      LYS  30  -1.038 -13.077  14.517
  266    HG3  LYS  30           HG3      LYS  30   0.539 -12.610  15.163
  267    HD2  LYS  30           HD2      LYS  30  -0.197 -10.263  15.351
  268    HD3  LYS  30           HD3      LYS  30  -1.765 -10.670  14.631
  269    HE2  LYS  30           HE2      LYS  30  -2.337 -12.131  16.482
  270    HE3  LYS  30           HE3      LYS  30  -0.709 -12.024  17.163
  271    HZ1  LYS  30           HZ1      LYS  30  -2.437 -10.588  18.269
  272    HZ2  LYS  30           HZ2      LYS  30  -1.126  -9.723  17.758
  273    HZ3  LYS  30           HZ3      LYS  30  -2.549  -9.666  16.938
  274    H    ILE  31           H        ILE  31  -0.799 -13.829  10.694
  275    HA   ILE  31           HA       ILE  31   0.838 -13.399   8.295
  276    HB   ILE  31           HB       ILE  31  -2.007 -14.417   8.644
  277   HG12  ILE  31          HG12      ILE  31  -0.592 -15.899   9.904
  278   HG13  ILE  31          HG13      ILE  31  -1.126 -16.693   8.435
  279   HG21  ILE  31          HG21      ILE  31  -1.721 -15.433   6.438
  280   HG22  ILE  31          HG22      ILE  31  -1.597 -13.679   6.348
  281   HG23  ILE  31          HG23      ILE  31  -0.121 -14.664   6.268
  282   HD11  ILE  31          HD11      ILE  31   1.122 -16.266   7.401
  283   HD12  ILE  31          HD12      ILE  31   1.652 -15.540   8.934
  284   HD13  ILE  31          HD13      ILE  31   1.196 -17.249   8.869
  285    HA   PRO  32           HA       PRO  32  -1.464  -9.488   7.584
  286    HB2  PRO  32           HB2      PRO  32  -0.254  -8.671   5.290
  287    HB3  PRO  32           HB3      PRO  32   0.562  -8.598   6.879
  288    HG2  PRO  32           HG2      PRO  32   0.862 -10.718   4.736
  289    HG3  PRO  32           HG3      PRO  32   2.147  -9.904   5.672
  290    HD2  PRO  32           HD2      PRO  32   1.130 -12.377   6.301
  291    HD3  PRO  32           HD3      PRO  32   1.779 -11.245   7.531
  292    H    VAL  33           H        VAL  33  -3.491  -9.372   6.714
  293    HA   VAL  33           HA       VAL  33  -4.129 -10.970   4.271
  294    HB   VAL  33           HB       VAL  33  -5.916 -10.773   6.704
  295   HG11  VAL  33          HG11      VAL  33  -6.081 -12.536   4.231
  296   HG12  VAL  33          HG12      VAL  33  -7.172 -12.592   5.635
  297   HG13  VAL  33          HG13      VAL  33  -7.154 -11.164   4.600
  298   HG21  VAL  33          HG21      VAL  33  -4.054 -13.015   5.828
  299   HG22  VAL  33          HG22      VAL  33  -4.037 -12.133   7.369
  300   HG23  VAL  33          HG23      VAL  33  -5.376 -13.221   6.990
  301    H    ILE  34           H        ILE  34  -5.440 -10.119   2.789
  302    HA   ILE  34           HA       ILE  34  -6.503  -7.344   3.185
  303    HB   ILE  34           HB       ILE  34  -6.134  -8.825   0.566
  304   HG12  ILE  34          HG12      ILE  34  -3.907  -8.677   1.480
  305   HG13  ILE  34          HG13      ILE  34  -4.091  -7.564   0.142
  306   HG21  ILE  34          HG21      ILE  34  -6.631  -5.896   1.262
  307   HG22  ILE  34          HG22      ILE  34  -6.211  -6.484  -0.362
  308   HG23  ILE  34          HG23      ILE  34  -7.712  -7.011   0.398
  309   HD11  ILE  34          HD11      ILE  34  -2.774  -6.585   1.956
  310   HD12  ILE  34          HD12      ILE  34  -4.263  -5.672   1.655
  311   HD13  ILE  34          HD13      ILE  34  -4.144  -6.742   3.071
  312    H    ILE  35           H        ILE  35  -8.750  -7.023   2.992
  313    HA   ILE  35           HA       ILE  35 -10.334  -9.299   2.014
  314    HB   ILE  35           HB       ILE  35 -10.485  -9.621   4.376
  315   HG12  ILE  35          HG12      ILE  35 -13.088  -8.485   3.224
  316   HG13  ILE  35          HG13      ILE  35 -12.419 -10.088   2.881
  317   HG21  ILE  35          HG21      ILE  35 -11.547  -7.935   5.867
  318   HG22  ILE  35          HG22      ILE  35 -10.062  -7.305   5.169
  319   HG23  ILE  35          HG23      ILE  35 -11.639  -6.788   4.531
  320   HD11  ILE  35          HD11      ILE  35 -12.589 -10.658   5.313
  321   HD12  ILE  35          HD12      ILE  35 -13.460  -9.123   5.561
  322   HD13  ILE  35          HD13      ILE  35 -14.139 -10.364   4.502
  323    H    GLU  36           H        GLU  36 -11.705  -8.764   0.449
  324    HA   GLU  36           HA       GLU  36 -12.955  -6.060   0.433
  325    HB2  GLU  36           HB2      GLU  36 -11.244  -7.161  -1.838
  326    HB3  GLU  36           HB3      GLU  36 -12.350  -5.816  -2.013
  327    HG2  GLU  36           HG2      GLU  36  -9.882  -5.843  -0.221
  328    HG3  GLU  36           HG3      GLU  36 -10.000  -5.136  -1.819
  329    H    ARG  37           H        ARG  37 -14.879  -5.976  -0.446
  330    HA   ARG  37           HA       ARG  37 -16.410  -8.323  -1.140
  331    HB2  ARG  37           HB2      ARG  37 -17.168  -6.138  -0.190
  332    HB3  ARG  37           HB3      ARG  37 -16.896  -5.374  -1.754
  333    HG2  ARG  37           HG2      ARG  37 -18.724  -6.573  -2.742
  334    HG3  ARG  37           HG3      ARG  37 -18.807  -7.715  -1.383
  335    HD2  ARG  37           HD2      ARG  37 -20.623  -6.051  -1.291
  336    HD3  ARG  37           HD3      ARG  37 -19.605  -5.987   0.136
  337    HE   ARG  37           HE       ARG  37 -19.914  -3.946  -1.979
  338   HH11  ARG  37          HH11      ARG  37 -18.383  -4.651   1.095
  339   HH12  ARG  37          HH12      ARG  37 -17.498  -3.149   1.103
  340   HH21  ARG  37          HH21      ARG  37 -18.787  -2.008  -1.880
  341   HH22  ARG  37          HH22      ARG  37 -17.762  -1.681  -0.525
  342    H    TYR  38           H        TYR  38 -17.094  -9.076  -3.190
  343    HA   TYR  38           HA       TYR  38 -15.148  -9.081  -5.148
  344    HB2  TYR  38           HB2      TYR  38 -16.405 -10.967  -5.097
  345    HB3  TYR  38           HB3      TYR  38 -17.928 -10.093  -5.118
  346    HD1  TYR  38           HD1      TYR  38 -19.188 -10.027  -7.072
  347    HD2  TYR  38           HD2      TYR  38 -14.940 -10.768  -7.326
  348    HE1  TYR  38           HE1      TYR  38 -19.379 -10.331  -9.535
  349    HE2  TYR  38           HE2      TYR  38 -15.136 -11.037  -9.787
  350    HH   TYR  38           HH       TYR  38 -18.275 -10.880 -11.501
  351    H    LYS  39           H        LYS  39 -14.642  -8.330  -7.107
  352    HA   LYS  39           HA       LYS  39 -15.001  -5.568  -7.482
  353    HB2  LYS  39           HB2      LYS  39 -14.018  -7.728  -9.393
  354    HB3  LYS  39           HB3      LYS  39 -13.933  -6.001  -9.749
  355    HG2  LYS  39           HG2      LYS  39 -12.511  -5.603  -7.800
  356    HG3  LYS  39           HG3      LYS  39 -12.606  -7.313  -7.338
  357    HD2  LYS  39           HD2      LYS  39 -11.559  -7.984  -9.471
  358    HD3  LYS  39           HD3      LYS  39 -11.453  -6.297  -9.979
  359    HE2  LYS  39           HE2      LYS  39 -10.080  -7.465  -7.508
  360    HE3  LYS  39           HE3      LYS  39  -9.319  -7.314  -9.090
  361    HZ1  LYS  39           HZ1      LYS  39 -10.291  -5.015  -7.459
  362    HZ2  LYS  39           HZ2      LYS  39  -8.735  -5.420  -7.712
  363    HZ3  LYS  39           HZ3      LYS  39  -9.637  -4.887  -8.956
  364    H    GLY  40           H        GLY  40 -16.518  -8.169  -9.390
  365    HA2  GLY  40           HA2      GLY  40 -17.735  -6.338 -11.260
  366    HA3  GLY  40           HA3      GLY  40 -17.971  -8.080 -11.176
  367    H    GLU  41           H        GLU  41 -18.939  -7.530  -8.208
  368    HA   GLU  41           HA       GLU  41 -21.606  -6.369  -8.753
  369    HB2  GLU  41           HB2      GLU  41 -21.908  -8.604  -9.577
  370    HB3  GLU  41           HB3      GLU  41 -21.111  -9.295  -8.178
  371    HG2  GLU  41           HG2      GLU  41 -23.413  -9.761  -8.001
  372    HG3  GLU  41           HG3      GLU  41 -22.965  -8.650  -6.728
  373    H    LYS  42           H        LYS  42 -21.633  -4.885  -7.201
  374    HA   LYS  42           HA       LYS  42 -20.644  -5.410  -4.467
  375    HB2  LYS  42           HB2      LYS  42 -21.940  -2.903  -5.617
  376    HB3  LYS  42           HB3      LYS  42 -21.058  -3.032  -4.106
  377    HG2  LYS  42           HG2      LYS  42 -19.943  -3.134  -6.928
  378    HG3  LYS  42           HG3      LYS  42 -19.694  -1.906  -5.690
  379    HD2  LYS  42           HD2      LYS  42 -18.527  -3.761  -4.307
  380    HD3  LYS  42           HD3      LYS  42 -18.535  -4.711  -5.794
  381    HE2  LYS  42           HE2      LYS  42 -17.142  -2.031  -5.292
  382    HE3  LYS  42           HE3      LYS  42 -16.363  -3.591  -5.482
  383    HZ1  LYS  42           HZ1      LYS  42 -16.245  -2.319  -7.546
  384    HZ2  LYS  42           HZ2      LYS  42 -17.183  -3.630  -7.829
  385    HZ3  LYS  42           HZ3      LYS  42 -17.864  -2.147  -7.632
  386    H    GLN  43           H        GLN  43 -22.606  -7.181  -4.788
  387    HA   GLN  43           HA       GLN  43 -25.274  -6.175  -4.306
  388    HB2  GLN  43           HB2      GLN  43 -24.656  -8.295  -5.467
  389    HB3  GLN  43           HB3      GLN  43 -24.230  -9.020  -3.915
  390    HG2  GLN  43           HG2      GLN  43 -26.567  -8.737  -3.159
  391    HG3  GLN  43           HG3      GLN  43 -26.963  -7.884  -4.662
  392   HE21  GLN  43          HE21      GLN  43 -26.733 -10.990  -6.638
  393   HE22  GLN  43          HE22      GLN  43 -26.269  -9.293  -6.773
  394    H    LEU  44           H        LEU  44 -22.907  -7.704  -2.111
  395    HA   LEU  44           HA       LEU  44 -24.597  -7.360   0.227
  396    HB2  LEU  44           HB2      LEU  44 -21.716  -8.136  -0.279
  397    HB3  LEU  44           HB3      LEU  44 -22.229  -7.787   1.368
  398    HG   LEU  44           HG       LEU  44 -23.560  -9.895  -0.390
  399   HD11  LEU  44          HD11      LEU  44 -21.485 -10.195   1.815
  400   HD12  LEU  44          HD12      LEU  44 -22.307 -11.527   0.961
  401   HD13  LEU  44          HD13      LEU  44 -21.204 -10.457   0.076
  402   HD21  LEU  44          HD21      LEU  44 -25.039  -9.132   1.447
  403   HD22  LEU  44          HD22      LEU  44 -24.424 -10.748   1.790
  404   HD23  LEU  44          HD23      LEU  44 -23.715  -9.354   2.617
  405    HA   PRO  45           HA       PRO  45 -24.059  -3.210   1.239
  406    HB2  PRO  45           HB2      PRO  45 -23.270  -3.860   4.063
  407    HB3  PRO  45           HB3      PRO  45 -24.598  -2.833   3.469
  408    HG2  PRO  45           HG2      PRO  45 -25.057  -5.360   4.419
  409    HG3  PRO  45           HG3      PRO  45 -25.958  -4.720   3.001
  410    HD2  PRO  45           HD2      PRO  45 -23.583  -6.588   3.048
  411    HD3  PRO  45           HD3      PRO  45 -25.074  -6.638   2.056
  412    H    VAL  46           H        VAL  46 -22.692  -1.416   1.884
  413    HA   VAL  46           HA       VAL  46 -19.811  -1.787   1.468
  414    HB   VAL  46           HB       VAL  46 -21.218   0.806   2.168
  415   HG11  VAL  46          HG11      VAL  46 -18.646   0.257   0.617
  416   HG12  VAL  46          HG12      VAL  46 -19.335   1.843   0.993
  417   HG13  VAL  46          HG13      VAL  46 -18.726   0.832   2.299
  418   HG21  VAL  46          HG21      VAL  46 -20.809  -0.429  -0.583
  419   HG22  VAL  46          HG22      VAL  46 -22.361  -0.040   0.191
  420   HG23  VAL  46          HG23      VAL  46 -21.274   1.260  -0.275
  421    H    LEU  47           H        LEU  47 -19.768  -3.289   3.286
  422    HA   LEU  47           HA       LEU  47 -19.886  -2.335   6.015
  423    HB2  LEU  47           HB2      LEU  47 -18.670  -4.850   4.790
  424    HB3  LEU  47           HB3      LEU  47 -18.929  -4.604   6.518
  425    HG   LEU  47           HG       LEU  47 -21.204  -4.546   4.480
  426   HD11  LEU  47          HD11      LEU  47 -20.227  -6.851   6.147
  427   HD12  LEU  47          HD12      LEU  47 -21.723  -6.820   5.198
  428   HD13  LEU  47          HD13      LEU  47 -20.155  -6.717   4.369
  429   HD21  LEU  47          HD21      LEU  47 -21.162  -4.808   7.509
  430   HD22  LEU  47          HD22      LEU  47 -21.790  -3.435   6.573
  431   HD23  LEU  47          HD23      LEU  47 -22.599  -5.005   6.491
  432    H    ASP  48           H        ASP  48 -18.162  -2.230   7.546
  433    HA   ASP  48           HA       ASP  48 -15.983  -0.663   6.505
  434    HB2  ASP  48           HB2      ASP  48 -15.469  -0.159   8.876
  435    HB3  ASP  48           HB3      ASP  48 -17.073   0.257   8.309
  436    H    LYS  49           H        LYS  49 -15.490  -3.108   5.528
  437    HA   LYS  49           HA       LYS  49 -13.114  -4.150   7.041
  438    HB2  LYS  49           HB2      LYS  49 -15.402  -5.618   5.742
  439    HB3  LYS  49           HB3      LYS  49 -13.797  -6.303   5.586
  440    HG2  LYS  49           HG2      LYS  49 -14.769  -7.330   7.467
  441    HG3  LYS  49           HG3      LYS  49 -13.485  -6.280   8.026
  442    HD2  LYS  49           HD2      LYS  49 -16.086  -4.875   8.080
  443    HD3  LYS  49           HD3      LYS  49 -16.157  -6.414   8.937
  444    HE2  LYS  49           HE2      LYS  49 -14.120  -5.807  10.225
  445    HE3  LYS  49           HE3      LYS  49 -14.075  -4.243   9.417
  446    HZ1  LYS  49           HZ1      LYS  49 -16.322  -5.177  11.114
  447    HZ2  LYS  49           HZ2      LYS  49 -15.099  -4.167  11.589
  448    HZ3  LYS  49           HZ3      LYS  49 -16.185  -3.698  10.419
  449    H    THR  50           H        THR  50 -11.287  -3.916   6.092
  450    HA   THR  50           HA       THR  50 -10.992  -4.091   3.134
  451    HB   THR  50           HB       THR  50  -9.698  -2.152   2.956
  452    HG1  THR  50           HG1      THR  50  -9.569  -0.814   4.965
  453   HG21  THR  50          HG21      THR  50 -12.063  -1.315   4.681
  454   HG22  THR  50          HG22      THR  50 -11.197  -0.343   3.474
  455   HG23  THR  50          HG23      THR  50 -12.168  -1.723   2.952
  456    H    LYS  51           H        LYS  51  -9.425  -4.392   6.284
  457    HA   LYS  51           HA       LYS  51  -7.215  -6.059   5.176
  458    HB2  LYS  51           HB2      LYS  51  -6.507  -3.708   5.070
  459    HB3  LYS  51           HB3      LYS  51  -7.001  -3.451   6.734
  460    HG2  LYS  51           HG2      LYS  51  -5.179  -4.948   7.518
  461    HG3  LYS  51           HG3      LYS  51  -4.682  -5.219   5.829
  462    HD2  LYS  51           HD2      LYS  51  -4.236  -2.843   5.541
  463    HD3  LYS  51           HD3      LYS  51  -4.898  -2.470   7.142
  464    HE2  LYS  51           HE2      LYS  51  -3.068  -3.795   8.199
  465    HE3  LYS  51           HE3      LYS  51  -2.358  -4.088   6.609
  466    HZ1  LYS  51           HZ1      LYS  51  -1.723  -1.814   6.426
  467    HZ2  LYS  51           HZ2      LYS  51  -2.822  -1.299   7.548
  468    HZ3  LYS  51           HZ3      LYS  51  -1.493  -2.104   8.011
  469    H    PHE  52           H        PHE  52  -6.222  -7.395   6.721
  470    HA   PHE  52           HA       PHE  52  -7.004  -7.350   9.519
  471    HB2  PHE  52           HB2      PHE  52  -7.930  -9.552   7.704
  472    HB3  PHE  52           HB3      PHE  52  -7.579  -9.899   9.381
  473    HD1  PHE  52           HD1      PHE  52 -10.206  -9.198   7.277
  474    HD2  PHE  52           HD2      PHE  52  -8.622  -8.042  11.104
  475    HE1  PHE  52           HE1      PHE  52 -12.483  -8.504   8.020
  476    HE2  PHE  52           HE2      PHE  52 -10.887  -7.340  11.837
  477    HZ   PHE  52           HZ       PHE  52 -12.815  -7.583  10.307
  478    H    LEU  53           H        LEU  53  -5.944  -8.978  10.913
  479    HA   LEU  53           HA       LEU  53  -3.387 -10.047   9.812
  480    HB2  LEU  53           HB2      LEU  53  -3.746  -8.991  12.632
  481    HB3  LEU  53           HB3      LEU  53  -2.264  -9.609  11.920
  482    HG   LEU  53           HG       LEU  53  -3.653  -7.006  11.167
  483   HD11  LEU  53          HD11      LEU  53  -1.077  -7.538  12.705
  484   HD12  LEU  53          HD12      LEU  53  -1.758  -5.937  12.307
  485   HD13  LEU  53          HD13      LEU  53  -2.612  -7.017  13.422
  486   HD21  LEU  53          HD21      LEU  53  -1.590  -6.503   9.908
  487   HD22  LEU  53          HD22      LEU  53  -0.962  -8.126  10.294
  488   HD23  LEU  53          HD23      LEU  53  -2.379  -7.933   9.250
  489    H    VAL  54           H        VAL  54  -2.986 -12.226  10.527
  490    HA   VAL  54           HA       VAL  54  -4.936 -13.328  12.499
  491    HB   VAL  54           HB       VAL  54  -4.408 -14.853   9.981
  492   HG11  VAL  54          HG11      VAL  54  -6.596 -15.036  12.114
  493   HG12  VAL  54          HG12      VAL  54  -6.418 -16.095  10.705
  494   HG13  VAL  54          HG13      VAL  54  -5.191 -16.118  11.974
  495   HG21  VAL  54          HG21      VAL  54  -5.603 -12.804   9.289
  496   HG22  VAL  54          HG22      VAL  54  -6.650 -14.219   9.185
  497   HG23  VAL  54          HG23      VAL  54  -6.826 -13.090  10.543
  498    HA   PRO  55           HA       PRO  55  -1.202 -15.342  14.075
  499    HB2  PRO  55           HB2      PRO  55  -3.177 -17.043  15.565
  500    HB3  PRO  55           HB3      PRO  55  -1.739 -16.185  16.173
  501    HG2  PRO  55           HG2      PRO  55  -4.251 -15.242  16.615
  502    HG3  PRO  55           HG3      PRO  55  -2.883 -14.138  16.281
  503    HD2  PRO  55           HD2      PRO  55  -5.062 -15.056  14.414
  504    HD3  PRO  55           HD3      PRO  55  -4.324 -13.439  14.591
  505    H    ASP  56           H        ASP  56  -0.085 -17.045  13.274
  506    HA   ASP  56           HA       ASP  56  -0.880 -18.373  11.040
  507    HB2  ASP  56           HB2      ASP  56   1.101 -19.877  11.421
  508    HB3  ASP  56           HB3      ASP  56   1.364 -18.143  11.417
  509    H    HIS  57           H        HIS  57  -1.375 -19.706  14.245
  510    HA   HIS  57           HA       HIS  57  -2.153 -22.331  13.256
  511    HB2  HIS  57           HB2      HIS  57  -0.989 -21.589  15.500
  512    HB3  HIS  57           HB3      HIS  57  -2.628 -21.368  16.091
  513    HD1  HIS  57           HD1      HIS  57  -4.105 -23.925  15.209
  514    HD2  HIS  57           HD2      HIS  57  -0.066 -23.776  16.427
  515    HE1  HIS  57           HE1      HIS  57  -3.514 -26.293  16.084
  516    HE2  HIS  57           HE2      HIS  57  -1.039 -26.188  16.797
  517    H    VAL  58           H        VAL  58  -3.994 -19.456  13.298
  518    HA   VAL  58           HA       VAL  58  -6.549 -20.432  14.264
  519    HB   VAL  58           HB       VAL  58  -5.852 -18.208  12.339
  520   HG11  VAL  58          HG11      VAL  58  -8.560 -18.872  13.582
  521   HG12  VAL  58          HG12      VAL  58  -8.159 -17.342  12.775
  522   HG13  VAL  58          HG13      VAL  58  -8.161 -18.837  11.845
  523   HG21  VAL  58          HG21      VAL  58  -5.108 -17.863  14.677
  524   HG22  VAL  58          HG22      VAL  58  -6.464 -16.787  14.299
  525   HG23  VAL  58          HG23      VAL  58  -6.737 -18.247  15.266
  526    H    ASN  59           H        ASN  59  -7.981 -21.797  13.328
  527    HA   ASN  59           HA       ASN  59  -7.499 -23.056  10.751
  528    HB2  ASN  59           HB2      ASN  59  -9.983 -23.126  12.523
  529    HB3  ASN  59           HB3      ASN  59  -9.571 -24.272  11.257
  530   HD21  ASN  59          HD21      ASN  59  -7.370 -26.141  13.347
  531   HD22  ASN  59          HD22      ASN  59  -7.897 -25.858  11.686
  532    H    MET  60           H        MET  60  -8.650 -22.740   8.765
  533    HA   MET  60           HA       MET  60  -9.605 -20.160   8.198
  534    HB2  MET  60           HB2      MET  60 -10.029 -22.809   6.808
  535    HB3  MET  60           HB3      MET  60 -10.738 -21.331   6.169
  536    HG2  MET  60           HG2      MET  60  -7.800 -21.951   6.554
  537    HG3  MET  60           HG3      MET  60  -8.677 -21.783   5.038
  538    HE1  MET  60           HE1      MET  60  -9.937 -19.467   4.412
  539    HE2  MET  60           HE2      MET  60 -10.427 -18.942   6.037
  540    HE3  MET  60           HE3      MET  60  -9.441 -17.873   5.019
  541    H    SER  61           H        SER  61 -11.733 -23.017   8.904
  542    HA   SER  61           HA       SER  61 -14.167 -21.593   8.728
  543    HB2  SER  61           HB2      SER  61 -15.067 -23.378  10.183
  544    HB3  SER  61           HB3      SER  61 -14.052 -24.013   8.871
  545    HG   SER  61           HG       SER  61 -13.600 -24.963  10.975
  546    H    GLU  62           H        GLU  62 -11.918 -21.787  11.499
  547    HA   GLU  62           HA       GLU  62 -13.560 -20.288  13.335
  548    HB2  GLU  62           HB2      GLU  62 -11.738 -21.720  14.126
  549    HB3  GLU  62           HB3      GLU  62 -10.560 -20.771  13.239
  550    HG2  GLU  62           HG2      GLU  62 -10.382 -20.186  15.519
  551    HG3  GLU  62           HG3      GLU  62 -11.015 -18.798  14.658
  552    H    LEU  63           H        LEU  63 -10.988 -19.259  11.028
  553    HA   LEU  63           HA       LEU  63 -11.160 -16.456  11.603
  554    HB2  LEU  63           HB2      LEU  63  -9.311 -17.389  10.295
  555    HB3  LEU  63           HB3      LEU  63 -10.421 -17.923   9.041
  556    HG   LEU  63           HG       LEU  63 -10.998 -15.530   8.548
  557   HD11  LEU  63          HD11      LEU  63  -9.456 -13.768   9.410
  558   HD12  LEU  63          HD12      LEU  63 -10.432 -14.465  10.705
  559   HD13  LEU  63          HD13      LEU  63  -8.738 -14.957  10.520
  560   HD21  LEU  63          HD21      LEU  63  -9.282 -16.695   7.238
  561   HD22  LEU  63          HD22      LEU  63  -8.885 -14.984   7.425
  562   HD23  LEU  63          HD23      LEU  63  -8.043 -16.201   8.419
  563    H    ILE  64           H        ILE  64 -13.006 -18.453   9.223
  564    HA   ILE  64           HA       ILE  64 -14.619 -16.312   8.251
  565    HB   ILE  64           HB       ILE  64 -14.872 -19.309   8.303
  566   HG12  ILE  64          HG12      ILE  64 -15.438 -18.550   5.774
  567   HG13  ILE  64          HG13      ILE  64 -14.626 -17.078   6.255
  568   HG21  ILE  64          HG21      ILE  64 -17.073 -19.283   7.215
  569   HG22  ILE  64          HG22      ILE  64 -17.179 -18.724   8.871
  570   HG23  ILE  64          HG23      ILE  64 -17.230 -17.543   7.533
  571   HD11  ILE  64          HD11      ILE  64 -13.162 -18.780   5.137
  572   HD12  ILE  64          HD12      ILE  64 -12.593 -18.319   6.751
  573   HD13  ILE  64          HD13      ILE  64 -13.434 -19.880   6.499
  574    H    LYS  65           H        LYS  65 -15.115 -18.291  11.185
  575    HA   LYS  65           HA       LYS  65 -17.666 -17.216  11.836
  576    HB2  LYS  65           HB2      LYS  65 -16.502 -19.255  12.801
  577    HB3  LYS  65           HB3      LYS  65 -15.559 -18.162  13.825
  578    HG2  LYS  65           HG2      LYS  65 -17.688 -17.279  14.799
  579    HG3  LYS  65           HG3      LYS  65 -18.593 -18.386  13.734
  580    HD2  LYS  65           HD2      LYS  65 -17.519 -20.337  14.849
  581    HD3  LYS  65           HD3      LYS  65 -16.549 -19.244  15.837
  582    HE2  LYS  65           HE2      LYS  65 -18.323 -20.036  17.211
  583    HE3  LYS  65           HE3      LYS  65 -18.627 -18.334  16.879
  584    HZ1  LYS  65           HZ1      LYS  65 -20.298 -19.020  15.221
  585    HZ2  LYS  65           HZ2      LYS  65 -19.955 -20.607  15.467
  586    HZ3  LYS  65           HZ3      LYS  65 -20.636 -19.717  16.652
  587    H    ILE  66           H        ILE  66 -14.432 -16.018  12.954
  588    HA   ILE  66           HA       ILE  66 -15.599 -13.700  14.259
  589    HB   ILE  66           HB       ILE  66 -13.532 -14.356  15.069
  590   HG12  ILE  66          HG12      ILE  66 -13.884 -11.910  15.078
  591   HG13  ILE  66          HG13      ILE  66 -12.220 -12.433  15.183
  592   HG21  ILE  66          HG21      ILE  66 -12.455 -15.516  13.296
  593   HG22  ILE  66          HG22      ILE  66 -12.271 -14.042  12.325
  594   HG23  ILE  66          HG23      ILE  66 -11.375 -14.242  13.848
  595   HD11  ILE  66          HD11      ILE  66 -12.001 -11.853  12.669
  596   HD12  ILE  66          HD12      ILE  66 -13.515 -10.970  12.881
  597   HD13  ILE  66          HD13      ILE  66 -12.105 -10.534  13.839
  598    H    ILE  67           H        ILE  67 -14.269 -14.142  10.961
  599    HA   ILE  67           HA       ILE  67 -14.559 -11.415  10.167
  600    HB   ILE  67           HB       ILE  67 -14.493 -14.009   8.601
  601   HG12  ILE  67          HG12      ILE  67 -12.415 -13.383   9.832
  602   HG13  ILE  67          HG13      ILE  67 -12.216 -13.479   8.092
  603   HG21  ILE  67          HG21      ILE  67 -13.931 -12.607   6.580
  604   HG22  ILE  67          HG22      ILE  67 -15.615 -12.540   7.091
  605   HG23  ILE  67          HG23      ILE  67 -14.523 -11.184   7.473
  606   HD11  ILE  67          HD11      ILE  67 -12.197 -11.026   7.951
  607   HD12  ILE  67          HD12      ILE  67 -12.447 -10.920   9.719
  608   HD13  ILE  67          HD13      ILE  67 -10.963 -11.625   9.075
  609    H    ARG  68           H        ARG  68 -16.967 -14.099   9.742
  610    HA   ARG  68           HA       ARG  68 -18.933 -12.447   8.460
  611    HB2  ARG  68           HB2      ARG  68 -18.834 -15.012   8.619
  612    HB3  ARG  68           HB3      ARG  68 -19.509 -14.854  10.243
  613    HG2  ARG  68           HG2      ARG  68 -21.425 -13.492   9.105
  614    HG3  ARG  68           HG3      ARG  68 -20.758 -14.058   7.576
  615    HD2  ARG  68           HD2      ARG  68 -20.991 -16.391   9.145
  616    HD3  ARG  68           HD3      ARG  68 -22.415 -15.462   9.586
  617    HE   ARG  68           HE       ARG  68 -21.864 -16.846   7.092
  618   HH11  ARG  68          HH11      ARG  68 -23.760 -14.137   8.309
  619   HH12  ARG  68          HH12      ARG  68 -24.997 -14.358   7.112
  620   HH21  ARG  68          HH21      ARG  68 -23.489 -17.021   5.556
  621   HH22  ARG  68          HH22      ARG  68 -24.770 -15.826   5.512
  622    H    ARG  69           H        ARG  69 -18.409 -13.127  11.951
  623    HA   ARG  69           HA       ARG  69 -20.611 -11.464  12.815
  624    HB2  ARG  69           HB2      ARG  69 -19.710 -13.219  14.250
  625    HB3  ARG  69           HB3      ARG  69 -18.130 -12.447  14.299
  626    HG2  ARG  69           HG2      ARG  69 -19.355 -12.050  16.389
  627    HG3  ARG  69           HG3      ARG  69 -19.060 -10.533  15.558
  628    HD2  ARG  69           HD2      ARG  69 -21.487 -10.780  14.612
  629    HD3  ARG  69           HD3      ARG  69 -21.667 -12.073  15.779
  630    HE   ARG  69           HE       ARG  69 -21.632 -10.526  17.539
  631   HH11  ARG  69          HH11      ARG  69 -20.915  -8.693  14.588
  632   HH12  ARG  69          HH12      ARG  69 -21.643  -7.248  15.250
  633   HH21  ARG  69          HH21      ARG  69 -22.350  -8.584  18.323
  634   HH22  ARG  69          HH22      ARG  69 -22.305  -7.166  17.318
  635    H    ARG  70           H        ARG  70 -17.156 -10.669  12.354
  636    HA   ARG  70           HA       ARG  70 -17.450  -7.861  13.153
  637    HB2  ARG  70           HB2      ARG  70 -15.310  -9.531  11.837
  638    HB3  ARG  70           HB3      ARG  70 -15.222  -7.794  11.654
  639    HG2  ARG  70           HG2      ARG  70 -13.903  -8.569  13.568
  640    HG3  ARG  70           HG3      ARG  70 -15.143  -7.401  14.019
  641    HD2  ARG  70           HD2      ARG  70 -16.530  -9.113  15.007
  642    HD3  ARG  70           HD3      ARG  70 -15.475 -10.401  14.383
  643    HE   ARG  70           HE       ARG  70 -13.885  -8.613  15.935
  644   HH11  ARG  70          HH11      ARG  70 -16.418 -10.956  16.687
  645   HH12  ARG  70          HH12      ARG  70 -15.761 -11.213  18.280
  646   HH21  ARG  70          HH21      ARG  70 -13.148  -8.995  17.769
  647   HH22  ARG  70          HH22      ARG  70 -13.909 -10.090  18.934
  648    H    LEU  71           H        LEU  71 -17.995  -9.492  10.100
  649    HA   LEU  71           HA       LEU  71 -18.581  -7.013   8.626
  650    HB2  LEU  71           HB2      LEU  71 -19.066  -9.991   8.170
  651    HB3  LEU  71           HB3      LEU  71 -19.651  -8.798   7.044
  652    HG   LEU  71           HG       LEU  71 -16.701  -9.016   7.730
  653   HD11  LEU  71          HD11      LEU  71 -17.543 -11.148   6.766
  654   HD12  LEU  71          HD12      LEU  71 -18.254 -10.232   5.413
  655   HD13  LEU  71          HD13      LEU  71 -16.489 -10.282   5.630
  656   HD21  LEU  71          HD21      LEU  71 -16.407  -7.866   5.576
  657   HD22  LEU  71          HD22      LEU  71 -18.155  -7.835   5.314
  658   HD23  LEU  71          HD23      LEU  71 -17.444  -6.871   6.627
  659    H    GLN  72           H        GLN  72 -20.229  -8.519  11.161
  660    HA   GLN  72           HA       GLN  72 -22.302  -8.497  11.998
  661    HB2  GLN  72           HB2      GLN  72 -22.687  -5.975  10.351
  662    HB3  GLN  72           HB3      GLN  72 -23.627  -6.478  11.752
  663    HG2  GLN  72           HG2      GLN  72 -20.886  -6.496  12.612
  664    HG3  GLN  72           HG3      GLN  72 -21.101  -5.028  11.665
  665   HE21  GLN  72          HE21      GLN  72 -23.561  -3.703  14.047
  666   HE22  GLN  72          HE22      GLN  72 -23.165  -3.677  12.332
  667    H    LEU  73           H        LEU  73 -21.964 -10.045   9.471
  668    HA   LEU  73           HA       LEU  73 -24.596  -9.793   8.125
  669    HB2  LEU  73           HB2      LEU  73 -22.162 -11.532   7.596
  670    HB3  LEU  73           HB3      LEU  73 -23.658 -11.644   6.671
  671    HG   LEU  73           HG       LEU  73 -21.991  -9.104   6.871
  672   HD11  LEU  73          HD11      LEU  73 -20.781 -10.949   5.724
  673   HD12  LEU  73          HD12      LEU  73 -22.160 -11.137   4.622
  674   HD13  LEU  73          HD13      LEU  73 -21.214  -9.633   4.618
  675   HD21  LEU  73          HD21      LEU  73 -24.305  -9.902   5.043
  676   HD22  LEU  73          HD22      LEU  73 -24.340  -8.628   6.284
  677   HD23  LEU  73          HD23      LEU  73 -23.315  -8.442   4.862
  678    H    ASN  74           H        ASN  74 -26.214 -10.509   9.270
  679    HA   ASN  74           HA       ASN  74 -26.330 -12.699  11.072
  680    HB2  ASN  74           HB2      ASN  74 -27.927 -10.797  10.944
  681    HB3  ASN  74           HB3      ASN  74 -28.483 -11.345   9.368
  682   HD21  ASN  74          HD21      ASN  74 -30.093 -12.983  12.684
  683   HD22  ASN  74          HD22      ASN  74 -28.871 -11.724  12.801
  684    H    ALA  75           H        ALA  75 -27.345 -14.825  10.812
  685    HA   ALA  75           HA       ALA  75 -26.354 -16.357   8.680
  686    HB1  ALA  75           HB1      ALA  75 -26.927 -17.210  10.917
  687    HB2  ALA  75           HB2      ALA  75 -28.658 -16.935  10.593
  688    HB3  ALA  75           HB3      ALA  75 -27.753 -18.143   9.655
  689    H    ASN  76           H        ASN  76 -29.402 -14.578   8.791
  690    HA   ASN  76           HA       ASN  76 -30.667 -15.875   6.536
  691    HB2  ASN  76           HB2      ASN  76 -31.051 -13.167   7.885
  692    HB3  ASN  76           HB3      ASN  76 -32.023 -13.720   6.528
  693   HD21  ASN  76          HD21      ASN  76 -32.845 -15.193  10.208
  694   HD22  ASN  76          HD22      ASN  76 -31.483 -14.100   9.963
  695    H    GLN  77           H        GLN  77 -28.035 -13.545   6.653
  696    HA   GLN  77           HA       GLN  77 -28.398 -12.668   3.866
  697    HB2  GLN  77           HB2      GLN  77 -25.967 -12.346   5.673
  698    HB3  GLN  77           HB3      GLN  77 -26.271 -11.544   4.138
  699    HG2  GLN  77           HG2      GLN  77 -27.575 -11.042   6.819
  700    HG3  GLN  77           HG3      GLN  77 -26.684  -9.924   5.784
  701   HE21  GLN  77          HE21      GLN  77 -29.568  -9.448   3.556
  702   HE22  GLN  77          HE22      GLN  77 -27.814  -9.510   3.520
  703    H    ALA  78           H        ALA  78 -27.736 -13.797   2.125
  704    HA   ALA  78           HA       ALA  78 -26.104 -16.194   2.298
  705    HB1  ALA  78           HB1      ALA  78 -27.809 -15.913   0.549
  706    HB2  ALA  78           HB2      ALA  78 -26.932 -14.512  -0.107
  707    HB3  ALA  78           HB3      ALA  78 -26.198 -16.133  -0.158
  708    H    PHE  79           H        PHE  79 -23.974 -16.244   2.558
  709    HA   PHE  79           HA       PHE  79 -22.204 -14.284   1.360
  710    HB2  PHE  79           HB2      PHE  79 -22.533 -12.935   3.155
  711    HB3  PHE  79           HB3      PHE  79 -22.743 -14.257   4.284
  712    HD1  PHE  79           HD1      PHE  79 -20.790 -15.520   5.193
  713    HD2  PHE  79           HD2      PHE  79 -20.285 -12.016   2.740
  714    HE1  PHE  79           HE1      PHE  79 -18.464 -15.295   6.003
  715    HE2  PHE  79           HE2      PHE  79 -17.969 -11.768   3.585
  716    HZ   PHE  79           HZ       PHE  79 -17.048 -13.400   5.205
  717    H    PHE  80           H        PHE  80 -20.254 -14.889   0.848
  718    HA   PHE  80           HA       PHE  80 -19.072 -17.285   2.141
  719    HB2  PHE  80           HB2      PHE  80 -19.259 -16.820  -0.843
  720    HB3  PHE  80           HB3      PHE  80 -18.243 -18.033  -0.080
  721    HD1  PHE  80           HD1      PHE  80 -19.185 -20.091   0.878
  722    HD2  PHE  80           HD2      PHE  80 -21.723 -17.060  -0.840
  723    HE1  PHE  80           HE1      PHE  80 -21.093 -21.686   0.860
  724    HE2  PHE  80           HE2      PHE  80 -23.633 -18.642  -0.840
  725    HZ   PHE  80           HZ       PHE  80 -23.315 -20.966   0.008
  726    H    LEU  81           H        LEU  81 -17.030 -17.091   2.697
  727    HA   LEU  81           HA       LEU  81 -15.464 -14.726   1.828
  728    HB2  LEU  81           HB2      LEU  81 -15.767 -15.260   4.233
  729    HB3  LEU  81           HB3      LEU  81 -14.965 -16.799   3.984
  730    HG   LEU  81           HG       LEU  81 -13.596 -15.059   5.081
  731   HD11  LEU  81          HD11      LEU  81 -11.569 -15.522   3.998
  732   HD12  LEU  81          HD12      LEU  81 -12.591 -16.947   3.774
  733   HD13  LEU  81          HD13      LEU  81 -12.327 -15.800   2.424
  734   HD21  LEU  81          HD21      LEU  81 -14.433 -13.079   3.809
  735   HD22  LEU  81          HD22      LEU  81 -12.675 -13.159   3.906
  736   HD23  LEU  81          HD23      LEU  81 -13.489 -13.611   2.400
  737    H    LEU  82           H        LEU  82 -14.250 -14.939   0.145
  738    HA   LEU  82           HA       LEU  82 -13.601 -17.600  -0.994
  739    HB2  LEU  82           HB2      LEU  82 -13.898 -14.915  -2.387
  740    HB3  LEU  82           HB3      LEU  82 -13.759 -16.496  -3.143
  741    HG   LEU  82           HG       LEU  82 -16.131 -15.480  -1.504
  742   HD11  LEU  82          HD11      LEU  82 -15.934 -14.428  -3.693
  743   HD12  LEU  82          HD12      LEU  82 -15.771 -16.018  -4.480
  744   HD13  LEU  82          HD13      LEU  82 -17.295 -15.566  -3.678
  745   HD21  LEU  82          HD21      LEU  82 -15.964 -17.891  -1.219
  746   HD22  LEU  82          HD22      LEU  82 -17.262 -17.535  -2.361
  747   HD23  LEU  82          HD23      LEU  82 -15.700 -18.113  -2.972
  748    H    VAL  83           H        VAL  83 -11.541 -18.021  -0.162
  749    HA   VAL  83           HA       VAL  83  -9.444 -15.966  -0.175
  750    HB   VAL  83           HB       VAL  83  -9.069 -18.951   0.155
  751   HG11  VAL  83          HG11      VAL  83  -7.005 -17.680  -0.373
  752   HG12  VAL  83          HG12      VAL  83  -7.373 -16.536   0.936
  753   HG13  VAL  83          HG13      VAL  83  -6.998 -18.239   1.300
  754   HG21  VAL  83          HG21      VAL  83  -8.957 -18.401   2.602
  755   HG22  VAL  83          HG22      VAL  83  -9.615 -16.792   2.241
  756   HG23  VAL  83          HG23      VAL  83 -10.583 -18.241   1.917
  757    H    ASN  84           H        ASN  84  -8.230 -15.374  -1.843
  758    HA   ASN  84           HA       ASN  84  -7.789 -15.068  -4.071
  759    HB2  ASN  84           HB2      ASN  84  -6.079 -16.678  -3.136
  760    HB3  ASN  84           HB3      ASN  84  -6.986 -17.993  -3.880
  761   HD21  ASN  84          HD21      ASN  84  -4.437 -17.438  -6.338
  762   HD22  ASN  84          HD22      ASN  84  -4.796 -18.286  -4.819
  763    H    GLY  85           H        GLY  85 -10.534 -15.529  -3.711
  764    HA2  GLY  85           HA2      GLY  85 -12.307 -15.526  -5.220
  765    HA3  GLY  85           HA3      GLY  85 -11.299 -16.293  -6.438
  766    H    HIS  86           H        HIS  86 -11.018 -18.370  -3.808
  767    HA   HIS  86           HA       HIS  86 -13.493 -19.900  -4.564
  768    HB2  HIS  86           HB2      HIS  86 -11.428 -20.907  -5.474
  769    HB3  HIS  86           HB3      HIS  86 -10.749 -21.011  -3.853
  770    HD1  HIS  86           HD1      HIS  86 -11.382 -23.224  -2.525
  771    HD2  HIS  86           HD2      HIS  86 -13.873 -22.353  -5.827
  772    HE1  HIS  86           HE1      HIS  86 -13.004 -25.204  -2.752
  773    HE2  HIS  86           HE2      HIS  86 -14.512 -24.672  -4.779
  774    H    SER  87           H        SER  87 -14.700 -20.940  -2.978
  775    HA   SER  87           HA       SER  87 -14.759 -19.670  -0.418
  776    HB2  SER  87           HB2      SER  87 -16.755 -20.567  -1.459
  777    HB3  SER  87           HB3      SER  87 -16.105 -22.215  -1.357
  778    HG   SER  87           HG       SER  87 -17.424 -21.905   0.411
  779    H    MET  88           H        MET  88 -14.092 -20.169   1.565
  780    HA   MET  88           HA       MET  88 -12.931 -22.861   2.135
  781    HB2  MET  88           HB2      MET  88 -11.662 -20.196   2.860
  782    HB3  MET  88           HB3      MET  88 -11.206 -21.730   3.599
  783    HG2  MET  88           HG2      MET  88 -10.762 -22.637   1.280
  784    HG3  MET  88           HG3      MET  88 -10.906 -20.977   0.686
  785    HE1  MET  88           HE1      MET  88  -8.367 -22.900   0.248
  786    HE2  MET  88           HE2      MET  88  -8.493 -21.248  -0.399
  787    HE3  MET  88           HE3      MET  88  -7.046 -21.743   0.508
  788    H    VAL  89           H        VAL  89 -15.611 -21.488   2.735
  789    HA   VAL  89           HA       VAL  89 -15.605 -20.700   5.460
  790    HB   VAL  89           HB       VAL  89 -17.967 -20.629   5.408
  791   HG11  VAL  89          HG11      VAL  89 -17.061 -19.973   2.571
  792   HG12  VAL  89          HG12      VAL  89 -18.433 -19.294   3.466
  793   HG13  VAL  89          HG13      VAL  89 -16.779 -18.950   3.996
  794   HG21  VAL  89          HG21      VAL  89 -19.332 -21.552   3.554
  795   HG22  VAL  89          HG22      VAL  89 -17.900 -22.395   2.929
  796   HG23  VAL  89          HG23      VAL  89 -18.576 -22.814   4.521
  797    H    SER  90           H        SER  90 -15.927 -23.961   4.208
  798    HA   SER  90           HA       SER  90 -16.619 -25.017   6.896
  799    HB2  SER  90           HB2      SER  90 -17.056 -27.097   5.654
  800    HB3  SER  90           HB3      SER  90 -17.965 -25.724   4.998
  801    HG   SER  90           HG       SER  90 -16.953 -26.984   3.346
  802    H    VAL  91           H        VAL  91 -13.700 -24.424   5.258
  803    HA   VAL  91           HA       VAL  91 -12.557 -27.036   5.778
  804    HB   VAL  91           HB       VAL  91 -12.178 -25.600   3.699
  805   HG11  VAL  91          HG11      VAL  91 -11.162 -23.655   4.893
  806   HG12  VAL  91          HG12      VAL  91  -9.768 -24.679   5.312
  807   HG13  VAL  91          HG13      VAL  91 -10.138 -24.337   3.614
  808   HG21  VAL  91          HG21      VAL  91 -10.084 -26.788   3.267
  809   HG22  VAL  91          HG22      VAL  91  -9.922 -27.186   4.986
  810   HG23  VAL  91          HG23      VAL  91 -11.271 -27.846   4.036
  811    H    SER  92           H        SER  92 -11.043 -27.770   7.124
  812    HA   SER  92           HA       SER  92 -10.764 -26.353   9.644
  813    HB2  SER  92           HB2      SER  92  -9.681 -28.453  10.365
  814    HB3  SER  92           HB3      SER  92 -11.241 -28.730   9.575
  815    HG   SER  92           HG       SER  92  -9.592 -30.168   8.811
  816    H    THR  93           H        THR  93  -8.744 -26.435   6.834
  817    HA   THR  93           HA       THR  93  -6.247 -26.668   7.710
  818    HB   THR  93           HB       THR  93  -6.739 -24.489   5.724
  819    HG1  THR  93           HG1      THR  93  -7.133 -26.163   4.198
  820   HG21  THR  93          HG21      THR  93  -4.402 -25.175   6.134
  821   HG22  THR  93          HG22      THR  93  -4.825 -26.865   5.766
  822   HG23  THR  93          HG23      THR  93  -4.927 -25.615   4.506
  823    HA   PRO  94           HA       PRO  94  -5.195 -23.104  10.291
  824    HB2  PRO  94           HB2      PRO  94  -2.498 -23.446  10.515
  825    HB3  PRO  94           HB3      PRO  94  -3.680 -24.439  11.416
  826    HG2  PRO  94           HG2      PRO  94  -2.292 -25.111   8.803
  827    HG3  PRO  94           HG3      PRO  94  -2.442 -26.136  10.267
  828    HD2  PRO  94           HD2      PRO  94  -4.113 -26.422   8.161
  829    HD3  PRO  94           HD3      PRO  94  -4.726 -26.579   9.837
  830    H    ILE  95           H        ILE  95  -4.584 -21.022   9.781
  831    HA   ILE  95           HA       ILE  95  -4.365 -20.384   7.039
  832    HB   ILE  95           HB       ILE  95  -5.467 -18.979   8.668
  833   HG12  ILE  95          HG12      ILE  95  -3.294 -17.154   7.613
  834   HG13  ILE  95          HG13      ILE  95  -4.216 -18.105   6.443
  835   HG21  ILE  95          HG21      ILE  95  -4.165 -17.451  10.147
  836   HG22  ILE  95          HG22      ILE  95  -3.901 -19.139  10.576
  837   HG23  ILE  95          HG23      ILE  95  -2.665 -18.257   9.656
  838   HD11  ILE  95          HD11      ILE  95  -5.192 -15.887   6.776
  839   HD12  ILE  95          HD12      ILE  95  -6.310 -17.200   7.214
  840   HD13  ILE  95          HD13      ILE  95  -5.484 -16.268   8.480
  841    H    SER  96           H        SER  96  -1.728 -21.216   9.145
  842    HA   SER  96           HA       SER  96   0.463 -19.971   7.863
  843    HB2  SER  96           HB2      SER  96   1.710 -22.009   8.612
  844    HB3  SER  96           HB3      SER  96   0.710 -21.274   9.879
  845    HG   SER  96           HG       SER  96   0.498 -23.586   9.762
  846    H    GLU  97           H        GLU  97  -1.092 -23.093   6.999
  847    HA   GLU  97           HA       GLU  97   0.478 -23.517   4.603
  848    HB2  GLU  97           HB2      GLU  97  -2.254 -24.600   5.399
  849    HB3  GLU  97           HB3      GLU  97  -1.275 -25.226   4.081
  850    HG2  GLU  97           HG2      GLU  97  -0.507 -25.256   7.031
  851    HG3  GLU  97           HG3      GLU  97  -1.177 -26.609   6.132
  852    H    VAL  98           H        VAL  98  -2.710 -22.039   5.156
  853    HA   VAL  98           HA       VAL  98  -3.297 -21.539   2.386
  854    HB   VAL  98           HB       VAL  98  -4.361 -19.942   4.732
  855   HG11  VAL  98          HG11      VAL  98  -4.893 -19.009   2.496
  856   HG12  VAL  98          HG12      VAL  98  -5.533 -20.589   1.993
  857   HG13  VAL  98          HG13      VAL  98  -6.331 -19.664   3.287
  858   HG21  VAL  98          HG21      VAL  98  -6.267 -21.580   4.664
  859   HG22  VAL  98          HG22      VAL  98  -5.314 -22.607   3.583
  860   HG23  VAL  98          HG23      VAL  98  -4.772 -22.299   5.250
  861    H    TYR  99           H        TYR  99  -1.496 -19.622   4.790
  862    HA   TYR  99           HA       TYR  99  -1.009 -17.375   3.133
  863    HB2  TYR  99           HB2      TYR  99  -0.511 -16.960   5.300
  864    HB3  TYR  99           HB3      TYR  99   0.268 -18.495   5.565
  865    HD1  TYR  99           HD1      TYR  99   0.783 -15.201   3.821
  866    HD2  TYR  99           HD2      TYR  99   2.589 -18.738   5.517
  867    HE1  TYR  99           HE1      TYR  99   3.049 -14.211   3.515
  868    HE2  TYR  99           HE2      TYR  99   4.841 -17.746   5.201
  869    HH   TYR  99           HH       TYR  99   6.044 -15.895   4.512
  870    H    GLU 100           H        GLU 100   1.132 -20.228   3.504
  871    HA   GLU 100           HA       GLU 100   2.915 -19.378   1.441
  872    HB2  GLU 100           HB2      GLU 100   2.242 -22.181   2.414
  873    HB3  GLU 100           HB3      GLU 100   3.601 -21.800   1.363
  874    HG2  GLU 100           HG2      GLU 100   3.250 -20.743   4.196
  875    HG3  GLU 100           HG3      GLU 100   4.213 -22.136   3.738
  876    H    SER 101           H        SER 101  -0.159 -21.082   1.214
  877    HA   SER 101           HA       SER 101   0.167 -21.780  -1.611
  878    HB2  SER 101           HB2      SER 101  -2.264 -21.864   0.220
  879    HB3  SER 101           HB3      SER 101  -2.183 -22.524  -1.415
  880    HG   SER 101           HG       SER 101  -0.763 -23.352   0.899
  881    H    GLU 102           H        GLU 102  -1.501 -19.124   0.119
  882    HA   GLU 102           HA       GLU 102  -2.540 -18.114  -2.497
  883    HB2  GLU 102           HB2      GLU 102  -3.883 -17.869   0.203
  884    HB3  GLU 102           HB3      GLU 102  -4.550 -17.442  -1.359
  885    HG2  GLU 102           HG2      GLU 102  -3.947 -20.247  -0.349
  886    HG3  GLU 102           HG3      GLU 102  -5.520 -19.510  -0.542
  887    H    LYS 103           H        LYS 103  -0.174 -17.155  -0.426
  888    HA   LYS 103           HA       LYS 103  -0.681 -14.327  -0.202
  889    HB2  LYS 103           HB2      LYS 103   1.724 -14.079   0.028
  890    HB3  LYS 103           HB3      LYS 103   1.116 -15.390   1.031
  891    HG2  LYS 103           HG2      LYS 103   1.883 -16.995  -0.865
  892    HG3  LYS 103           HG3      LYS 103   2.708 -15.587  -1.556
  893    HD2  LYS 103           HD2      LYS 103   3.975 -15.344   0.611
  894    HD3  LYS 103           HD3      LYS 103   3.197 -16.836   1.186
  895    HE2  LYS 103           HE2      LYS 103   4.121 -18.030  -0.834
  896    HE3  LYS 103           HE3      LYS 103   4.946 -16.537  -1.297
  897    HZ1  LYS 103           HZ1      LYS 103   5.477 -18.202   1.119
  898    HZ2  LYS 103           HZ2      LYS 103   6.488 -17.916  -0.118
  899    HZ3  LYS 103           HZ3      LYS 103   6.133 -16.700   0.912
  900    H    ASP 104           H        ASP 104  -0.591 -12.667  -1.649
  901    HA   ASP 104           HA       ASP 104  -0.771 -13.471  -4.421
  902    HB2  ASP 104           HB2      ASP 104  -2.372 -11.945  -3.638
  903    HB3  ASP 104           HB3      ASP 104  -1.138 -10.814  -3.082
  904    H    GLU 105           H        GLU 105   1.340 -10.943  -2.991
  905    HA   GLU 105           HA       GLU 105   3.426 -11.696  -4.994
  906    HB2  GLU 105           HB2      GLU 105   2.678  -8.904  -4.136
  907    HB3  GLU 105           HB3      GLU 105   4.181  -9.293  -4.956
  908    HG2  GLU 105           HG2      GLU 105   1.397  -9.825  -6.077
  909    HG3  GLU 105           HG3      GLU 105   2.391  -8.421  -6.446
  910    H    ASP 106           H        ASP 106   3.920  -9.330  -2.395
  911    HA   ASP 106           HA       ASP 106   6.363 -10.754  -1.757
  912    HB2  ASP 106           HB2      ASP 106   6.133  -8.280  -1.977
  913    HB3  ASP 106           HB3      ASP 106   5.149  -8.260  -0.513
  914    H    GLY 107           H        GLY 107   3.232 -11.020  -0.449
  915    HA2  GLY 107           HA2      GLY 107   3.607 -13.022   1.338
  916    HA3  GLY 107           HA3      GLY 107   4.026 -11.632   2.340
  917    H    PHE 108           H        PHE 108   1.856  -9.963   0.895
  918    HA   PHE 108           HA       PHE 108  -0.211 -10.478   2.757
  919    HB2  PHE 108           HB2      PHE 108  -1.530  -8.800   1.351
  920    HB3  PHE 108           HB3      PHE 108  -0.105  -8.307   2.244
  921    HD1  PHE 108           HD1      PHE 108   1.809  -7.344   1.150
  922    HD2  PHE 108           HD2      PHE 108  -1.294  -9.233  -1.165
  923    HE1  PHE 108           HE1      PHE 108   2.854  -6.497  -0.937
  924    HE2  PHE 108           HE2      PHE 108  -0.283  -8.324  -3.250
  925    HZ   PHE 108           HZ       PHE 108   1.781  -6.956  -3.133
  926    H    LEU 109           H        LEU 109  -1.918 -11.686   2.939
  927    HA   LEU 109           HA       LEU 109  -2.549 -13.564   0.746
  928    HB2  LEU 109           HB2      LEU 109  -2.050 -14.025   3.266
  929    HB3  LEU 109           HB3      LEU 109  -3.711 -13.518   3.545
  930    HG   LEU 109           HG       LEU 109  -2.742 -15.868   1.857
  931   HD11  LEU 109          HD11      LEU 109  -4.314 -15.735   4.472
  932   HD12  LEU 109          HD12      LEU 109  -3.785 -17.213   3.630
  933   HD13  LEU 109          HD13      LEU 109  -2.589 -16.116   4.333
  934   HD21  LEU 109          HD21      LEU 109  -5.182 -16.530   1.852
  935   HD22  LEU 109          HD22      LEU 109  -5.574 -14.876   2.388
  936   HD23  LEU 109          HD23      LEU 109  -4.797 -15.171   0.808
  937    H    TYR 110           H        TYR 110  -4.186 -13.124  -0.686
  938    HA   TYR 110           HA       TYR 110  -6.239 -11.170   0.012
  939    HB2  TYR 110           HB2      TYR 110  -5.399 -12.395  -2.539
  940    HB3  TYR 110           HB3      TYR 110  -7.056 -11.868  -2.404
  941    HD1  TYR 110           HD1      TYR 110  -7.677  -9.623  -2.621
  942    HD2  TYR 110           HD2      TYR 110  -3.532 -10.628  -1.960
  943    HE1  TYR 110           HE1      TYR 110  -7.033  -7.278  -3.125
  944    HE2  TYR 110           HE2      TYR 110  -2.890  -8.277  -2.502
  945    HH   TYR 110           HH       TYR 110  -5.131  -5.957  -3.816
  946    H    MET 111           H        MET 111  -8.155 -11.371   0.804
  947    HA   MET 111           HA       MET 111  -9.707 -13.862   0.210
  948    HB2  MET 111           HB2      MET 111  -9.884 -12.185   2.749
  949    HB3  MET 111           HB3      MET 111 -10.782 -13.662   2.352
  950    HG2  MET 111           HG2      MET 111  -8.493 -14.815   2.156
  951    HG3  MET 111           HG3      MET 111  -7.800 -13.373   2.893
  952    HE1  MET 111           HE1      MET 111  -7.425 -16.358   3.789
  953    HE2  MET 111           HE2      MET 111  -6.640 -15.019   4.663
  954    HE3  MET 111           HE3      MET 111  -7.560 -16.248   5.554
  955    H    VAL 112           H        VAL 112 -11.247 -13.417  -1.223
  956    HA   VAL 112           HA       VAL 112 -12.426 -10.691  -1.361
  957    HB   VAL 112           HB       VAL 112 -12.815 -13.018  -3.260
  958   HG11  VAL 112          HG11      VAL 112 -14.663 -11.451  -3.455
  959   HG12  VAL 112          HG12      VAL 112 -13.540 -10.065  -3.476
  960   HG13  VAL 112          HG13      VAL 112 -13.584 -11.209  -4.830
  961   HG21  VAL 112          HG21      VAL 112 -11.319 -11.755  -4.793
  962   HG22  VAL 112          HG22      VAL 112 -10.971 -10.605  -3.485
  963   HG23  VAL 112          HG23      VAL 112 -10.474 -12.309  -3.353
  964    H    TYR 113           H        TYR 113 -14.896 -10.495  -1.218
  965    HA   TYR 113           HA       TYR 113 -16.194 -13.055  -0.415
  966    HB2  TYR 113           HB2      TYR 113 -17.380 -12.177   1.418
  967    HB3  TYR 113           HB3      TYR 113 -15.670 -11.951   1.698
  968    HD1  TYR 113           HD1      TYR 113 -18.900 -10.305   1.150
  969    HD2  TYR 113           HD2      TYR 113 -14.680  -9.665   1.742
  970    HE1  TYR 113           HE1      TYR 113 -19.353  -7.945   1.777
  971    HE2  TYR 113           HE2      TYR 113 -15.140  -7.301   2.404
  972    HH   TYR 113           HH       TYR 113 -16.785  -5.733   2.902
  973    H    ALA 114           H        ALA 114 -18.382 -13.253  -0.748
  974    HA   ALA 114           HA       ALA 114 -19.880 -11.217  -2.242
  975    HB1  ALA 114           HB1      ALA 114 -18.320 -12.218  -3.944
  976    HB2  ALA 114           HB2      ALA 114 -18.988 -13.822  -3.588
  977    HB3  ALA 114           HB3      ALA 114 -20.012 -12.554  -4.313
  978    H    SER 115           H        SER 115 -22.059 -12.246  -3.016
  979    HA   SER 115           HA       SER 115 -23.218 -13.866  -0.880
  980    HB2  SER 115           HB2      SER 115 -25.293 -13.602  -2.164
  981    HB3  SER 115           HB3      SER 115 -24.474 -12.048  -1.908
  982    HG   SER 115           HG       SER 115 -25.207 -12.348  -4.069
  983    H    GLN 116           H        GLN 116 -21.605 -14.659  -3.825
  984    HA   GLN 116           HA       GLN 116 -22.901 -17.346  -4.026
  985    HB2  GLN 116           HB2      GLN 116 -20.933 -16.100  -5.964
  986    HB3  GLN 116           HB3      GLN 116 -21.968 -17.497  -6.207
  987    HG2  GLN 116           HG2      GLN 116 -23.396 -16.134  -7.260
  988    HG3  GLN 116           HG3      GLN 116 -23.832 -15.467  -5.697
  989   HE21  GLN 116          HE21      GLN 116 -22.326 -12.319  -6.512
  990   HE22  GLN 116          HE22      GLN 116 -23.344 -13.203  -5.379
  991    H    GLU 117           H        GLU 117 -21.636 -19.266  -4.017
  992    HA   GLU 117           HA       GLU 117 -19.283 -19.327  -2.397
  993    HB2  GLU 117           HB2      GLU 117 -19.275 -21.667  -2.789
  994    HB3  GLU 117           HB3      GLU 117 -20.931 -21.162  -2.537
  995    HG2  GLU 117           HG2      GLU 117 -19.679 -21.734  -5.264
  996    HG3  GLU 117           HG3      GLU 117 -20.539 -22.912  -4.297
  997    H    THR 118           H        THR 118 -19.614 -18.760  -5.757
  998    HA   THR 118           HA       THR 118 -16.765 -18.141  -6.066
  999    HB   THR 118           HB       THR 118 -17.021 -19.261  -8.485
 1000    HG1  THR 118           HG1      THR 118 -19.047 -20.217  -8.203
 1001   HG21  THR 118          HG21      THR 118 -15.226 -19.802  -6.883
 1002   HG22  THR 118          HG22      THR 118 -16.289 -21.011  -6.119
 1003   HG23  THR 118          HG23      THR 118 -15.772 -21.211  -7.811
 1004    H    PHE 119           H        PHE 119 -16.819 -16.222  -7.253
 1005    HA   PHE 119           HA       PHE 119 -19.338 -15.218  -8.214
 1006    HB2  PHE 119           HB2      PHE 119 -17.886 -13.328  -9.150
 1007    HB3  PHE 119           HB3      PHE 119 -18.208 -13.495  -7.438
 1008    HD1  PHE 119           HD1      PHE 119 -15.623 -14.256 -10.050
 1009    HD2  PHE 119           HD2      PHE 119 -16.453 -13.628  -5.874
 1010    HE1  PHE 119           HE1      PHE 119 -13.188 -14.222  -9.575
 1011    HE2  PHE 119           HE2      PHE 119 -14.013 -13.619  -5.390
 1012    HZ   PHE 119           HZ       PHE 119 -12.373 -13.900  -7.246
 1013    H    GLY 120           H        GLY 120 -20.075 -14.617 -10.218
 1014    HA2  GLY 120           HA2      GLY 120 -18.795 -15.353 -12.702
 1015    HA3  GLY 120           HA3      GLY 120 -19.959 -16.584 -12.212
 1016    H1   ASP  10           H1       ASP  10  -6.312  -4.661  21.138
 1017    H2   ASP  10           H2       ASP  10  -7.533  -5.310  22.028
 1018    H3   ASP  10           H3       ASP  10  -7.344  -5.733  20.452
 1019    HA   ASP  10           HA       ASP  10  -9.190  -4.225  20.708
 1020    HB2  ASP  10           HB2      ASP  10  -7.127  -2.365  21.935
 1021    HB3  ASP  10           HB3      ASP  10  -8.724  -1.851  21.398
 1022    H    TYR  11           H        TYR  11  -9.640  -2.250  19.355
 1023    HA   TYR  11           HA       TYR  11  -9.812  -1.404  17.408
 1024    HB2  TYR  11           HB2      TYR  11  -7.797  -0.217  16.383
 1025    HB3  TYR  11           HB3      TYR  11  -8.542   0.277  17.879
 1026    HD1  TYR  11           HD1      TYR  11  -7.456  -0.031  20.050
 1027    HD2  TYR  11           HD2      TYR  11  -5.454  -1.003  16.337
 1028    HE1  TYR  11           HE1      TYR  11  -5.269  -0.043  21.238
 1029    HE2  TYR  11           HE2      TYR  11  -3.273  -0.960  17.548
 1030    HH   TYR  11           HH       TYR  11  -2.984  -0.295  21.040
 1031    H    GLU  12           H        GLU  12  -9.741  -1.140  15.183
 1032    HA   GLU  12           HA       GLU  12  -9.143  -3.751  13.876
 1033    HB2  GLU  12           HB2      GLU  12 -11.548  -3.146  14.756
 1034    HB3  GLU  12           HB3      GLU  12 -11.621  -2.178  13.268
 1035    HG2  GLU  12           HG2      GLU  12 -11.020  -4.364  12.035
 1036    HG3  GLU  12           HG3      GLU  12 -11.181  -5.178  13.597
 1037    H    SER  13           H        SER  13  -8.026  -0.796  13.688
 1038    HA   SER  13           HA       SER  13  -6.646  -1.199  11.292
 1039    HB2  SER  13           HB2      SER  13  -8.819  -0.574  10.133
 1040    HB3  SER  13           HB3      SER  13  -8.748   0.986  10.976
 1041    HG   SER  13           HG       SER  13  -6.901  -0.069   9.057
 1042    H    ASP  14           H        ASP  14  -4.807  -0.107  11.603
 1043    HA   ASP  14           HA       ASP  14  -4.691   2.703  12.279
 1044    HB2  ASP  14           HB2      ASP  14  -4.926   1.386  14.564
 1045    HB3  ASP  14           HB3      ASP  14  -3.307   0.808  14.225
 1046    H    ASP  15           H        ASP  15  -2.003   2.834  12.896
 1047    HA   ASP  15           HA       ASP  15  -0.417   1.005  11.234
 1048    HB2  ASP  15           HB2      ASP  15  -0.426   3.995  10.815
 1049    HB3  ASP  15           HB3      ASP  15   0.954   2.993  10.397
 1050    H    ASP  16           H        ASP  16   1.709   0.734  11.735
 1051    HA   ASP  16           HA       ASP  16   3.293   0.175  13.098
 1052    HB2  ASP  16           HB2      ASP  16   4.644   1.969  14.228
 1053    HB3  ASP  16           HB3      ASP  16   4.508   1.883  12.488
 1054    H    SER  17           H        SER  17   3.718  -0.987  14.727
 1055    HA   SER  17           HA       SER  17   3.198  -2.243  16.570
 1056    HB2  SER  17           HB2      SER  17   3.586  -1.167  18.747
 1057    HB3  SER  17           HB3      SER  17   4.839  -0.879  17.548
 1058    HG   SER  17           HG       SER  17   2.768   0.968  18.203
 1059    H    TYR  18           H        TYR  18   1.056  -2.579  15.552
 1060    HA   TYR  18           HA       TYR  18  -1.200  -1.713  17.304
 1061    HB2  TYR  18           HB2      TYR  18  -2.356  -0.736  15.477
 1062    HB3  TYR  18           HB3      TYR  18  -0.756  -0.050  15.422
 1063    HD1  TYR  18           HD1      TYR  18   0.960  -1.233  13.745
 1064    HD2  TYR  18           HD2      TYR  18  -3.331  -1.514  13.506
 1065    HE1  TYR  18           HE1      TYR  18   1.161  -2.012  11.378
 1066    HE2  TYR  18           HE2      TYR  18  -3.105  -2.149  11.087
 1067    HH   TYR  18           HH       TYR  18  -0.202  -3.334   9.723
 1068    H    GLU  19           H        GLU  19  -3.310  -2.592  15.999
 1069    HA   GLU  19           HA       GLU  19  -3.023  -5.371  15.062
 1070    HB2  GLU  19           HB2      GLU  19  -3.277  -5.556  17.483
 1071    HB3  GLU  19           HB3      GLU  19  -4.664  -4.477  17.459
 1072    HG2  GLU  19           HG2      GLU  19  -5.348  -6.801  17.766
 1073    HG3  GLU  19           HG3      GLU  19  -6.009  -6.160  16.276
 1074    H    VAL  20           H        VAL  20  -4.975  -6.154  14.037
 1075    HA   VAL  20           HA       VAL  20  -6.907  -4.110  13.084
 1076    HB   VAL  20           HB       VAL  20  -5.725  -6.115  11.161
 1077   HG11  VAL  20          HG11      VAL  20  -7.895  -5.041  10.528
 1078   HG12  VAL  20          HG12      VAL  20  -7.109  -3.455  10.669
 1079   HG13  VAL  20          HG13      VAL  20  -6.569  -4.605   9.447
 1080   HG21  VAL  20          HG21      VAL  20  -3.832  -4.678  11.828
 1081   HG22  VAL  20          HG22      VAL  20  -4.372  -4.237  10.205
 1082   HG23  VAL  20          HG23      VAL  20  -4.860  -3.250  11.611
 1083    H    LEU  21           H        LEU  21  -6.279  -7.487  13.865
 1084    HA   LEU  21           HA       LEU  21  -9.158  -8.219  13.422
 1085    HB2  LEU  21           HB2      LEU  21  -7.432  -9.719  12.537
 1086    HB3  LEU  21           HB3      LEU  21  -6.674  -9.831  14.119
 1087    HG   LEU  21           HG       LEU  21  -9.293 -10.650  14.648
 1088   HD11  LEU  21          HD11      LEU  21  -8.438 -11.720  11.913
 1089   HD12  LEU  21          HD12      LEU  21  -9.789 -12.332  12.879
 1090   HD13  LEU  21          HD13      LEU  21  -9.843 -10.678  12.224
 1091   HD21  LEU  21          HD21      LEU  21  -6.926 -12.371  13.801
 1092   HD22  LEU  21          HD22      LEU  21  -7.246 -11.769  15.442
 1093   HD23  LEU  21          HD23      LEU  21  -8.349 -12.942  14.693
 1094    H    ASP  22           H        ASP  22 -10.074  -6.980  15.034
 1095    HA   ASP  22           HA       ASP  22  -8.901  -6.291  17.408
 1096    HB2  ASP  22           HB2      ASP  22 -11.113  -5.548  18.180
 1097    HB3  ASP  22           HB3      ASP  22 -10.801  -5.104  16.501
 1098    H    LEU  23           H        LEU  23 -10.139  -9.392  16.830
 1099    HA   LEU  23           HA       LEU  23 -10.645 -10.455  19.414
 1100    HB2  LEU  23           HB2      LEU  23 -11.109 -11.543  17.227
 1101    HB3  LEU  23           HB3      LEU  23  -9.380 -11.641  16.904
 1102    HG   LEU  23           HG       LEU  23  -9.147 -13.226  18.844
 1103   HD11  LEU  23          HD11      LEU  23 -11.194 -14.340  19.673
 1104   HD12  LEU  23          HD12      LEU  23 -11.177 -12.627  20.114
 1105   HD13  LEU  23          HD13      LEU  23 -12.198 -13.189  18.768
 1106   HD21  LEU  23          HD21      LEU  23 -10.120 -15.156  17.663
 1107   HD22  LEU  23          HD22      LEU  23 -11.070 -14.060  16.638
 1108   HD23  LEU  23          HD23      LEU  23  -9.288 -14.073  16.555
 1109    H    THR  24           H        THR  24  -7.636  -9.469  17.925
 1110    HA   THR  24           HA       THR  24  -5.563  -9.285  18.525
 1111    HB   THR  24           HB       THR  24  -6.176  -9.353  21.440
 1112    HG1  THR  24           HG1      THR  24  -7.828  -8.171  20.490
 1113   HG21  THR  24          HG21      THR  24  -4.625  -7.445  21.474
 1114   HG22  THR  24          HG22      THR  24  -3.848  -8.883  20.796
 1115   HG23  THR  24          HG23      THR  24  -4.398  -7.581  19.717
 1116    H    GLU  25           H        GLU  25  -6.668 -12.008  20.546
 1117    HA   GLU  25           HA       GLU  25  -5.574 -13.856  21.287
 1118    HB2  GLU  25           HB2      GLU  25  -4.514 -13.715  18.455
 1119    HB3  GLU  25           HB3      GLU  25  -4.303 -15.128  19.473
 1120    HG2  GLU  25           HG2      GLU  25  -6.988 -13.939  18.682
 1121    HG3  GLU  25           HG3      GLU  25  -6.217 -15.328  17.932
 1122    H    TYR  26           H        TYR  26  -4.316 -11.529  22.188
 1123    HA   TYR  26           HA       TYR  26  -1.751 -12.623  23.008
 1124    HB2  TYR  26           HB2      TYR  26  -0.854 -11.559  21.195
 1125    HB3  TYR  26           HB3      TYR  26  -1.905 -10.165  21.351
 1126    HD1  TYR  26           HD1      TYR  26  -1.351  -8.272  22.740
 1127    HD2  TYR  26           HD2      TYR  26   1.104 -11.815  22.740
 1128    HE1  TYR  26           HE1      TYR  26   0.461  -7.019  23.923
 1129    HE2  TYR  26           HE2      TYR  26   2.912 -10.571  23.929
 1130    HH   TYR  26           HH       TYR  26   3.562  -8.570  24.842
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -6.600   2.613   7.056
    2    H2   MET   1           H2       MET   1  -7.638   1.587   7.751
    3    H3   MET   1           H3       MET   1  -7.481   1.573   6.120
    4    HA   MET   1           HA       MET   1  -8.529   3.878   7.676
    5    HB2  MET   1           HB2      MET   1  -7.453   4.549   5.568
    6    HB3  MET   1           HB3      MET   1  -8.480   3.438   4.650
    7    HG2  MET   1           HG2      MET   1  -9.318   5.703   4.479
    8    HG3  MET   1           HG3      MET   1 -10.486   4.732   5.366
    9    HE1  MET   1           HE1      MET   1 -10.639   7.886   5.288
   10    HE2  MET   1           HE2      MET   1 -11.758   6.879   6.242
   11    HE3  MET   1           HE3      MET   1 -10.943   8.267   6.997
   12    HA   PRO   2           HA       PRO   2 -11.907   0.827   7.621
   13    HB2  PRO   2           HB2      PRO   2 -12.933   1.223  10.094
   14    HB3  PRO   2           HB3      PRO   2 -11.390   0.372   9.814
   15    HG2  PRO   2           HG2      PRO   2 -11.825   3.209  10.740
   16    HG3  PRO   2           HG3      PRO   2 -10.602   2.016  11.281
   17    HD2  PRO   2           HD2      PRO   2 -10.233   4.062   9.358
   18    HD3  PRO   2           HD3      PRO   2  -9.168   2.647   9.582
   19    H    SER   3           H        SER   3 -12.964   1.883   5.905
   20    HA   SER   3           HA       SER   3 -15.408   3.327   6.653
   21    HB2  SER   3           HB2      SER   3 -15.053   5.271   5.328
   22    HB3  SER   3           HB3      SER   3 -13.635   5.120   6.364
   23    HG   SER   3           HG       SER   3 -13.044   5.567   4.191
   24    H    GLU   4           H        GLU   4 -16.602   3.941   4.430
   25    HA   GLU   4           HA       GLU   4 -17.132   1.503   3.014
   26    HB2  GLU   4           HB2      GLU   4 -18.832   3.080   3.410
   27    HB3  GLU   4           HB3      GLU   4 -17.957   4.399   2.664
   28    HG2  GLU   4           HG2      GLU   4 -18.803   1.968   1.052
   29    HG3  GLU   4           HG3      GLU   4 -19.961   3.225   1.447
   30    H    LYS   5           H        LYS   5 -14.724   3.957   2.416
   31    HA   LYS   5           HA       LYS   5 -14.296   3.305  -0.419
   32    HB2  LYS   5           HB2      LYS   5 -12.522   4.801   1.559
   33    HB3  LYS   5           HB3      LYS   5 -12.270   4.707  -0.184
   34    HG2  LYS   5           HG2      LYS   5 -14.653   6.021   1.194
   35    HG3  LYS   5           HG3      LYS   5 -13.265   6.858   0.509
   36    HD2  LYS   5           HD2      LYS   5 -13.813   6.011  -1.749
   37    HD3  LYS   5           HD3      LYS   5 -15.221   5.158  -1.110
   38    HE2  LYS   5           HE2      LYS   5 -14.798   8.185  -1.071
   39    HE3  LYS   5           HE3      LYS   5 -15.806   7.289  -2.208
   40    HZ1  LYS   5           HZ1      LYS   5 -16.287   7.581   0.705
   41    HZ2  LYS   5           HZ2      LYS   5 -17.252   8.076  -0.515
   42    HZ3  LYS   5           HZ3      LYS   5 -17.078   6.467  -0.200
   43    H    THR   6           H        THR   6 -12.665   2.070  -1.316
   44    HA   THR   6           HA       THR   6 -11.709  -0.143   0.261
   45    HB   THR   6           HB       THR   6 -10.930  -1.185  -1.546
   46    HG1  THR   6           HG1      THR   6 -10.216  -0.060  -3.437
   47   HG21  THR   6          HG21      THR   6 -12.392  -0.931  -3.441
   48   HG22  THR   6          HG22      THR   6 -13.350  -0.605  -1.990
   49   HG23  THR   6          HG23      THR   6 -12.784   0.742  -3.005
   50    H    PHE   7           H        PHE   7  -9.414  -0.877   0.438
   51    HA   PHE   7           HA       PHE   7  -7.937   1.136   1.886
   52    HB2  PHE   7           HB2      PHE   7  -6.288  -0.585   2.226
   53    HB3  PHE   7           HB3      PHE   7  -7.870  -1.316   2.384
   54    HD1  PHE   7           HD1      PHE   7  -8.630  -3.052   0.790
   55    HD2  PHE   7           HD2      PHE   7  -4.847  -1.035   0.268
   56    HE1  PHE   7           HE1      PHE   7  -8.002  -4.665  -0.986
   57    HE2  PHE   7           HE2      PHE   7  -4.204  -2.702  -1.458
   58    HZ   PHE   7           HZ       PHE   7  -5.793  -4.500  -2.104
   59    H    LYS   8           H        LYS   8  -8.077   0.554  -1.552
   60    HA   LYS   8           HA       LYS   8  -5.383   1.192  -2.297
   61    HB2  LYS   8           HB2      LYS   8  -7.058   0.184  -3.797
   62    HB3  LYS   8           HB3      LYS   8  -8.035   1.650  -3.732
   63    HG2  LYS   8           HG2      LYS   8  -6.871   1.521  -5.830
   64    HG3  LYS   8           HG3      LYS   8  -6.301   2.914  -4.927
   65    HD2  LYS   8           HD2      LYS   8  -4.275   1.574  -4.226
   66    HD3  LYS   8           HD3      LYS   8  -4.845   0.230  -5.210
   67    HE2  LYS   8           HE2      LYS   8  -4.156   3.040  -6.218
   68    HE3  LYS   8           HE3      LYS   8  -3.064   1.659  -6.272
   69    HZ1  LYS   8           HZ1      LYS   8  -4.675   0.526  -7.747
   70    HZ2  LYS   8           HZ2      LYS   8  -5.647   1.845  -7.751
   71    HZ3  LYS   8           HZ3      LYS   8  -4.157   1.924  -8.401
   72    H    GLN   9           H        GLN   9  -7.983   3.290  -1.231
   73    HA   GLN   9           HA       GLN   9  -6.825   5.825  -1.901
   74    HB2  GLN   9           HB2      GLN   9  -9.172   5.384  -1.213
   75    HB3  GLN   9           HB3      GLN   9  -8.627   5.010   0.424
   76    HG2  GLN   9           HG2      GLN   9  -7.840   7.332   0.717
   77    HG3  GLN   9           HG3      GLN   9  -8.221   7.692  -0.978
   78   HE21  GLN   9          HE21      GLN   9 -11.308   7.404   1.742
   79   HE22  GLN   9          HE22      GLN   9  -9.746   6.716   2.151
   80    H    ARG  10           H        ARG  10  -6.098   3.522   0.667
   81    HA   ARG  10           HA       ARG  10  -4.430   5.465   2.192
   82    HB2  ARG  10           HB2      ARG  10  -6.323   4.154   3.245
   83    HB3  ARG  10           HB3      ARG  10  -5.438   2.674   2.921
   84    HG2  ARG  10           HG2      ARG  10  -5.191   3.314   5.232
   85    HG3  ARG  10           HG3      ARG  10  -3.615   3.410   4.462
   86    HD2  ARG  10           HD2      ARG  10  -3.616   5.775   4.476
   87    HD3  ARG  10           HD3      ARG  10  -5.377   5.876   4.658
   88    HE   ARG  10           HE       ARG  10  -4.568   4.608   6.995
   89   HH11  ARG  10          HH11      ARG  10  -4.506   5.741   8.901
   90   HH12  ARG  10          HH12      ARG  10  -3.909   7.387   8.927
   91   HH21  ARG  10          HH21      ARG  10  -3.668   7.685   5.518
   92   HH22  ARG  10          HH22      ARG  10  -3.491   8.465   7.063
   93    H    ARG  11           H        ARG  11  -4.058   2.468   0.324
   94    HA   ARG  11           HA       ARG  11  -1.099   2.633   0.746
   95    HB2  ARG  11           HB2      ARG  11  -2.855   0.142   0.903
   96    HB3  ARG  11           HB3      ARG  11  -1.102   0.090   0.793
   97    HG2  ARG  11           HG2      ARG  11  -2.650   1.334   3.091
   98    HG3  ARG  11           HG3      ARG  11  -1.922  -0.265   3.081
   99    HD2  ARG  11           HD2      ARG  11   0.094   0.538   3.669
  100    HD3  ARG  11           HD3      ARG  11   0.115   1.635   2.309
  101    HE   ARG  11           HE       ARG  11  -0.920   3.353   3.590
  102   HH11  ARG  11          HH11      ARG  11  -0.949   4.479   5.575
  103   HH12  ARG  11          HH12      ARG  11  -0.611   3.553   7.045
  104   HH21  ARG  11          HH21      ARG  11   0.045   0.602   5.691
  105   HH22  ARG  11          HH22      ARG  11  -0.149   1.658   7.088
  106    H    THR  12           H        THR  12   0.242   1.963  -0.752
  107    HA   THR  12           HA       THR  12  -0.736   1.061  -3.414
  108    HB   THR  12           HB       THR  12   1.002   2.162  -4.512
  109    HG1  THR  12           HG1      THR  12   2.716   3.133  -3.405
  110   HG21  THR  12          HG21      THR  12   0.808   4.506  -3.974
  111   HG22  THR  12          HG22      THR  12  -0.773   3.749  -3.727
  112   HG23  THR  12          HG23      THR  12   0.250   4.154  -2.329
  113    H    PHE  13           H        PHE  13   1.005  -0.258  -4.666
  114    HA   PHE  13           HA       PHE  13   1.504  -2.630  -3.294
  115    HB2  PHE  13           HB2      PHE  13   1.342  -2.754  -5.587
  116    HB3  PHE  13           HB3      PHE  13   2.543  -1.506  -5.857
  117    HD1  PHE  13           HD1      PHE  13   5.000  -1.977  -5.575
  118    HD2  PHE  13           HD2      PHE  13   2.013  -5.083  -5.473
  119    HE1  PHE  13           HE1      PHE  13   6.757  -3.679  -5.999
  120    HE2  PHE  13           HE2      PHE  13   3.767  -6.780  -5.949
  121    HZ   PHE  13           HZ       PHE  13   6.135  -6.083  -6.198
  122    H    GLU  14           H        GLU  14   3.996  -0.119  -3.811
  123    HA   GLU  14           HA       GLU  14   6.043  -1.563  -2.366
  124    HB2  GLU  14           HB2      GLU  14   5.754   1.415  -2.931
  125    HB3  GLU  14           HB3      GLU  14   7.197   0.621  -2.277
  126    HG2  GLU  14           HG2      GLU  14   7.270  -0.823  -4.339
  127    HG3  GLU  14           HG3      GLU  14   5.955   0.143  -5.015
  128    H    GLN  15           H        GLN  15   3.573   0.798  -1.319
  129    HA   GLN  15           HA       GLN  15   4.572   1.032   1.393
  130    HB2  GLN  15           HB2      GLN  15   1.813   1.529   0.232
  131    HB3  GLN  15           HB3      GLN  15   2.330   1.982   1.863
  132    HG2  GLN  15           HG2      GLN  15   3.985   3.531   1.013
  133    HG3  GLN  15           HG3      GLN  15   3.686   3.037  -0.655
  134   HE21  GLN  15          HE21      GLN  15   1.799   6.177  -0.249
  135   HE22  GLN  15          HE22      GLN  15   3.486   5.684  -0.307
  136    H    ARG  16           H        ARG  16   2.265  -1.240  -0.177
  137    HA   ARG  16           HA       ARG  16   1.661  -2.640   2.313
  138    HB2  ARG  16           HB2      ARG  16   1.380  -3.514  -0.586
  139    HB3  ARG  16           HB3      ARG  16   0.923  -4.490   0.814
  140    HG2  ARG  16           HG2      ARG  16  -0.519  -2.473   1.563
  141    HG3  ARG  16           HG3      ARG  16  -0.290  -1.862  -0.084
  142    HD2  ARG  16           HD2      ARG  16  -1.544  -4.521   0.698
  143    HD3  ARG  16           HD3      ARG  16  -2.415  -3.088   0.177
  144    HE   ARG  16           HE       ARG  16  -1.660  -3.354  -2.049
  145   HH11  ARG  16          HH11      ARG  16  -0.622  -6.084  -0.100
  146   HH12  ARG  16          HH12      ARG  16   0.042  -6.931  -1.481
  147   HH21  ARG  16          HH21      ARG  16  -0.020  -6.069  -3.426
  148   HH22  ARG  16          HH22      ARG  16  -0.840  -4.549  -3.774
  149    H    VAL  17           H        VAL  17   4.206  -3.215  -0.170
  150    HA   VAL  17           HA       VAL  17   5.375  -5.491   1.132
  151    HB   VAL  17           HB       VAL  17   6.688  -3.252  -0.462
  152   HG11  VAL  17          HG11      VAL  17   8.442  -4.265   0.911
  153   HG12  VAL  17          HG12      VAL  17   7.896  -5.893   0.465
  154   HG13  VAL  17          HG13      VAL  17   8.606  -4.816  -0.756
  155   HG21  VAL  17          HG21      VAL  17   6.757  -4.911  -2.267
  156   HG22  VAL  17          HG22      VAL  17   6.013  -6.128  -1.208
  157   HG23  VAL  17          HG23      VAL  17   5.089  -4.706  -1.724
  158    H    GLU  18           H        GLU  18   5.843  -1.954   1.782
  159    HA   GLU  18           HA       GLU  18   7.621  -2.397   3.977
  160    HB2  GLU  18           HB2      GLU  18   6.976  -0.166   2.673
  161    HB3  GLU  18           HB3      GLU  18   5.740  -0.039   3.934
  162    HG2  GLU  18           HG2      GLU  18   7.715   1.210   4.567
  163    HG3  GLU  18           HG3      GLU  18   7.447  -0.128   5.674
  164    H    ASP  19           H        ASP  19   4.007  -2.053   3.987
  165    HA   ASP  19           HA       ASP  19   3.691  -2.485   6.760
  166    HB2  ASP  19           HB2      ASP  19   1.849  -3.085   4.460
  167    HB3  ASP  19           HB3      ASP  19   1.434  -3.498   6.109
  168    H    VAL  20           H        VAL  20   4.210  -4.986   4.290
  169    HA   VAL  20           HA       VAL  20   3.942  -7.219   6.091
  170    HB   VAL  20           HB       VAL  20   5.699  -7.019   3.625
  171   HG11  VAL  20          HG11      VAL  20   4.782  -9.441   5.234
  172   HG12  VAL  20          HG12      VAL  20   5.576  -9.505   3.645
  173   HG13  VAL  20          HG13      VAL  20   6.455  -8.883   5.038
  174   HG21  VAL  20          HG21      VAL  20   2.848  -8.019   4.064
  175   HG22  VAL  20          HG22      VAL  20   3.398  -6.728   2.982
  176   HG23  VAL  20          HG23      VAL  20   3.814  -8.392   2.625
  177    H    ARG  21           H        ARG  21   6.742  -5.077   5.374
  178    HA   ARG  21           HA       ARG  21   8.602  -6.462   7.100
  179    HB2  ARG  21           HB2      ARG  21   9.086  -4.627   5.294
  180    HB3  ARG  21           HB3      ARG  21   8.690  -3.467   6.562
  181    HG2  ARG  21           HG2      ARG  21  10.439  -4.816   8.001
  182    HG3  ARG  21           HG3      ARG  21  10.952  -5.478   6.450
  183    HD2  ARG  21           HD2      ARG  21  10.999  -2.593   7.403
  184    HD3  ARG  21           HD3      ARG  21  12.385  -3.597   6.993
  185    HE   ARG  21           HE       ARG  21  10.774  -1.954   5.250
  186   HH11  ARG  21          HH11      ARG  21  10.882  -1.937   3.130
  187   HH12  ARG  21          HH12      ARG  21  11.969  -3.011   2.256
  188   HH21  ARG  21          HH21      ARG  21  12.876  -4.780   5.090
  189   HH22  ARG  21          HH22      ARG  21  13.033  -4.649   3.362
  190    H    LEU  22           H        LEU  22   6.543  -3.550   7.743
  191    HA   LEU  22           HA       LEU  22   7.161  -3.233  10.475
  192    HB2  LEU  22           HB2      LEU  22   4.681  -2.608   8.811
  193    HB3  LEU  22           HB3      LEU  22   4.672  -2.410  10.554
  194    HG   LEU  22           HG       LEU  22   6.798  -0.997  10.280
  195   HD11  LEU  22          HD11      LEU  22   7.309  -1.411   7.917
  196   HD12  LEU  22          HD12      LEU  22   5.730  -0.735   7.439
  197   HD13  LEU  22          HD13      LEU  22   6.959   0.295   8.193
  198   HD21  LEU  22          HD21      LEU  22   4.115   0.011   9.236
  199   HD22  LEU  22          HD22      LEU  22   4.594  -0.109  10.947
  200   HD23  LEU  22          HD23      LEU  22   5.423   1.027   9.872
  201    H    ILE  23           H        ILE  23   4.488  -5.292   9.110
  202    HA   ILE  23           HA       ILE  23   3.733  -6.128  11.743
  203    HB   ILE  23           HB       ILE  23   2.366  -6.060   9.592
  204   HG12  ILE  23          HG12      ILE  23   1.633  -6.757  11.877
  205   HG13  ILE  23          HG13      ILE  23   0.711  -7.291  10.506
  206   HG21  ILE  23          HG21      ILE  23   1.972  -8.165   8.443
  207   HG22  ILE  23          HG22      ILE  23   3.617  -7.575   8.177
  208   HG23  ILE  23          HG23      ILE  23   3.336  -8.932   9.285
  209   HD11  ILE  23          HD11      ILE  23   2.644  -9.087  12.025
  210   HD12  ILE  23          HD12      ILE  23   0.893  -9.030  12.247
  211   HD13  ILE  23          HD13      ILE  23   1.555  -9.576  10.704
  212    H    ARG  24           H        ARG  24   5.906  -7.660   9.342
  213    HA   ARG  24           HA       ARG  24   6.497 -10.004  10.878
  214    HB2  ARG  24           HB2      ARG  24   7.039  -9.848   8.521
  215    HB3  ARG  24           HB3      ARG  24   8.066  -8.444   8.788
  216    HG2  ARG  24           HG2      ARG  24   9.396 -10.439   8.350
  217    HG3  ARG  24           HG3      ARG  24   9.734  -9.775   9.937
  218    HD2  ARG  24           HD2      ARG  24   8.145 -11.571  10.897
  219    HD3  ARG  24           HD3      ARG  24   8.062 -12.236   9.273
  220    HE   ARG  24           HE       ARG  24  10.165 -13.133   9.514
  221   HH11  ARG  24          HH11      ARG  24   9.833 -10.785  12.146
  222   HH12  ARG  24          HH12      ARG  24  11.340 -11.295  12.863
  223   HH21  ARG  24          HH21      ARG  24  12.024 -13.730  10.537
  224   HH22  ARG  24          HH22      ARG  24  12.529 -12.931  11.994
  225    H    GLU  25           H        GLU  25   7.756  -6.709  11.217
  226    HA   GLU  25           HA       GLU  25   9.740  -7.480  13.213
  227    HB2  GLU  25           HB2      GLU  25   8.562  -4.817  12.371
  228    HB3  GLU  25           HB3      GLU  25   9.702  -4.953  13.701
  229    HG2  GLU  25           HG2      GLU  25  10.273  -5.919  10.862
  230    HG3  GLU  25           HG3      GLU  25  10.714  -4.333  11.487
  231    H    GLN  26           H        GLN  26   6.421  -5.989  13.542
  232    HA   GLN  26           HA       GLN  26   6.673  -6.054  16.424
  233    HB2  GLN  26           HB2      GLN  26   4.358  -5.404  16.551
  234    HB3  GLN  26           HB3      GLN  26   5.283  -4.371  15.470
  235    HG2  GLN  26           HG2      GLN  26   4.119  -5.047  13.585
  236    HG3  GLN  26           HG3      GLN  26   3.704  -6.630  14.244
  237   HE21  GLN  26          HE21      GLN  26   0.429  -5.357  14.695
  238   HE22  GLN  26          HE22      GLN  26   1.442  -6.506  13.825
  239    H    HIS  27           H        HIS  27   5.182  -8.393  14.176
  240    HA   HIS  27           HA       HIS  27   4.900 -10.365  16.397
  241    HB2  HIS  27           HB2      HIS  27   2.563  -9.458  14.664
  242    HB3  HIS  27           HB3      HIS  27   2.553 -10.853  15.737
  243    HD1  HIS  27           HD1      HIS  27   3.558  -9.696  18.454
  244    HD2  HIS  27           HD2      HIS  27   0.769  -7.963  15.804
  245    HE1  HIS  27           HE1      HIS  27   1.957  -8.286  19.887
  246    HE2  HIS  27           HE2      HIS  27   0.258  -7.230  18.255
  247    HA   PRO  28           HA       PRO  28   6.578 -12.315  12.563
  248    HB2  PRO  28           HB2      PRO  28   7.579 -14.198  14.706
  249    HB3  PRO  28           HB3      PRO  28   8.422 -13.614  13.236
  250    HG2  PRO  28           HG2      PRO  28   8.999 -12.525  15.637
  251    HG3  PRO  28           HG3      PRO  28   8.778 -11.454  14.220
  252    HD2  PRO  28           HD2      PRO  28   6.792 -12.086  16.410
  253    HD3  PRO  28           HD3      PRO  28   7.217 -10.508  15.676
  254    H    THR  29           H        THR  29   4.678 -13.767  15.182
  255    HA   THR  29           HA       THR  29   3.923 -16.162  13.737
  256    HB   THR  29           HB       THR  29   2.574 -16.722  15.569
  257    HG1  THR  29           HG1      THR  29   2.045 -15.182  17.165
  258   HG21  THR  29          HG21      THR  29   4.837 -15.117  16.857
  259   HG22  THR  29          HG22      THR  29   4.009 -16.554  17.492
  260   HG23  THR  29          HG23      THR  29   5.061 -16.699  16.071
  261    H    LYS  30           H        LYS  30   2.864 -13.013  13.196
  262    HA   LYS  30           HA       LYS  30   0.134 -13.918  12.403
  263    HB2  LYS  30           HB2      LYS  30   1.147 -11.215  13.299
  264    HB3  LYS  30           HB3      LYS  30  -0.397 -11.426  12.449
  265    HG2  LYS  30           HG2      LYS  30  -1.291 -12.819  14.154
  266    HG3  LYS  30           HG3      LYS  30   0.272 -12.990  14.966
  267    HD2  LYS  30           HD2      LYS  30   0.212 -10.670  15.688
  268    HD3  LYS  30           HD3      LYS  30  -1.269 -10.359  14.756
  269    HE2  LYS  30           HE2      LYS  30  -2.551 -11.887  16.119
  270    HE3  LYS  30           HE3      LYS  30  -1.099 -12.512  16.917
  271    HZ1  LYS  30           HZ1      LYS  30  -2.410 -10.899  18.232
  272    HZ2  LYS  30           HZ2      LYS  30  -0.854 -10.519  18.149
  273    HZ3  LYS  30           HZ3      LYS  30  -1.942  -9.664  17.237
  274    H    ILE  31           H        ILE  31  -0.766 -13.499  10.553
  275    HA   ILE  31           HA       ILE  31   1.038 -13.155   8.240
  276    HB   ILE  31           HB       ILE  31  -1.805 -14.215   8.342
  277   HG12  ILE  31          HG12      ILE  31  -0.523 -15.635   9.833
  278   HG13  ILE  31          HG13      ILE  31  -0.927 -16.486   8.352
  279   HG21  ILE  31          HG21      ILE  31   0.398 -14.543   6.265
  280   HG22  ILE  31          HG22      ILE  31  -1.205 -15.312   6.221
  281   HG23  ILE  31          HG23      ILE  31  -1.067 -13.560   6.088
  282   HD11  ILE  31          HD11      ILE  31   1.802 -15.306   9.044
  283   HD12  ILE  31          HD12      ILE  31   1.342 -17.013   9.094
  284   HD13  ILE  31          HD13      ILE  31   1.410 -16.168   7.537
  285    HA   PRO  32           HA       PRO  32  -1.229  -9.287   7.234
  286    HB2  PRO  32           HB2      PRO  32   0.044  -8.648   4.900
  287    HB3  PRO  32           HB3      PRO  32   0.808  -8.446   6.501
  288    HG2  PRO  32           HG2      PRO  32   1.145 -10.720   4.530
  289    HG3  PRO  32           HG3      PRO  32   2.418  -9.848   5.444
  290    HD2  PRO  32           HD2      PRO  32   1.387 -12.262   6.226
  291    HD3  PRO  32           HD3      PRO  32   1.981 -11.040   7.392
  292    H    VAL  33           H        VAL  33  -3.319  -9.423   6.485
  293    HA   VAL  33           HA       VAL  33  -3.765 -10.686   3.864
  294    HB   VAL  33           HB       VAL  33  -5.307 -12.191   4.374
  295   HG11  VAL  33          HG11      VAL  33  -4.747 -13.499   6.351
  296   HG12  VAL  33          HG12      VAL  33  -3.259 -12.883   5.618
  297   HG13  VAL  33          HG13      VAL  33  -3.901 -12.112   7.077
  298   HG21  VAL  33          HG21      VAL  33  -6.966 -10.751   5.467
  299   HG22  VAL  33          HG22      VAL  33  -6.775 -12.278   6.320
  300   HG23  VAL  33          HG23      VAL  33  -6.007 -10.820   6.975
  301    H    ILE  34           H        ILE  34  -5.602 -10.145   2.658
  302    HA   ILE  34           HA       ILE  34  -6.748  -7.445   3.346
  303    HB   ILE  34           HB       ILE  34  -5.753  -8.596   0.755
  304   HG12  ILE  34          HG12      ILE  34  -5.504  -5.736   1.777
  305   HG13  ILE  34          HG13      ILE  34  -4.483  -7.004   2.435
  306   HG21  ILE  34          HG21      ILE  34  -6.827  -6.742  -0.493
  307   HG22  ILE  34          HG22      ILE  34  -8.010  -7.878   0.142
  308   HG23  ILE  34          HG23      ILE  34  -7.760  -6.306   0.948
  309   HD11  ILE  34          HD11      ILE  34  -3.278  -5.905   0.680
  310   HD12  ILE  34          HD12      ILE  34  -3.654  -7.548   0.141
  311   HD13  ILE  34          HD13      ILE  34  -4.587  -6.162  -0.481
  312    H    ILE  35           H        ILE  35  -8.950  -7.113   2.978
  313    HA   ILE  35           HA       ILE  35 -10.527  -9.416   2.016
  314    HB   ILE  35           HB       ILE  35 -10.841  -9.605   4.372
  315   HG12  ILE  35          HG12      ILE  35 -13.306  -8.257   3.136
  316   HG13  ILE  35          HG13      ILE  35 -12.760  -9.896   2.772
  317   HG21  ILE  35          HG21      ILE  35 -10.238  -7.309   5.107
  318   HG22  ILE  35          HG22      ILE  35 -11.754  -6.687   4.402
  319   HG23  ILE  35          HG23      ILE  35 -11.793  -7.791   5.772
  320   HD11  ILE  35          HD11      ILE  35 -14.520 -10.066   4.390
  321   HD12  ILE  35          HD12      ILE  35 -13.005 -10.504   5.192
  322   HD13  ILE  35          HD13      ILE  35 -13.751  -8.902   5.471
  323    H    GLU  36           H        GLU  36 -11.909  -8.840   0.416
  324    HA   GLU  36           HA       GLU  36 -12.929  -6.045   0.356
  325    HB2  GLU  36           HB2      GLU  36 -10.704  -6.331  -0.936
  326    HB3  GLU  36           HB3      GLU  36 -11.614  -7.340  -2.065
  327    HG2  GLU  36           HG2      GLU  36 -13.148  -5.364  -2.459
  328    HG3  GLU  36           HG3      GLU  36 -12.150  -4.416  -1.364
  329    H    ARG  37           H        ARG  37 -14.862  -5.768  -0.735
  330    HA   ARG  37           HA       ARG  37 -16.634  -7.995  -1.312
  331    HB2  ARG  37           HB2      ARG  37 -16.610  -5.032  -2.065
  332    HB3  ARG  37           HB3      ARG  37 -17.722  -6.120  -2.857
  333    HG2  ARG  37           HG2      ARG  37 -18.873  -5.020  -1.057
  334    HG3  ARG  37           HG3      ARG  37 -18.784  -6.757  -0.796
  335    HD2  ARG  37           HD2      ARG  37 -18.486  -5.682   1.276
  336    HD3  ARG  37           HD3      ARG  37 -16.927  -6.397   0.834
  337    HE   ARG  37           HE       ARG  37 -16.812  -3.732  -0.058
  338   HH11  ARG  37          HH11      ARG  37 -16.029  -1.968   1.186
  339   HH12  ARG  37          HH12      ARG  37 -16.091  -2.101   2.931
  340   HH21  ARG  37          HH21      ARG  37 -16.634  -3.839   3.929
  341   HH22  ARG  37          HH22      ARG  37 -17.269  -5.259   3.112
  342    H    TYR  38           H        TYR  38 -17.155  -9.031  -3.284
  343    HA   TYR  38           HA       TYR  38 -15.195  -9.171  -5.326
  344    HB2  TYR  38           HB2      TYR  38 -16.456 -11.043  -5.265
  345    HB3  TYR  38           HB3      TYR  38 -17.964 -10.159  -5.087
  346    HD1  TYR  38           HD1      TYR  38 -19.471 -10.585  -6.773
  347    HD2  TYR  38           HD2      TYR  38 -15.264 -10.360  -7.754
  348    HE1  TYR  38           HE1      TYR  38 -20.019 -10.799  -9.178
  349    HE2  TYR  38           HE2      TYR  38 -15.837 -10.519 -10.174
  350    HH   TYR  38           HH       TYR  38 -19.210 -10.771 -11.340
  351    H    LYS  39           H        LYS  39 -14.710  -8.172  -7.214
  352    HA   LYS  39           HA       LYS  39 -15.275  -5.447  -7.428
  353    HB2  LYS  39           HB2      LYS  39 -14.308  -7.403  -9.555
  354    HB3  LYS  39           HB3      LYS  39 -14.332  -5.647  -9.765
  355    HG2  LYS  39           HG2      LYS  39 -12.824  -5.345  -7.837
  356    HG3  LYS  39           HG3      LYS  39 -12.823  -7.082  -7.531
  357    HD2  LYS  39           HD2      LYS  39 -10.784  -6.491  -8.652
  358    HD3  LYS  39           HD3      LYS  39 -11.764  -7.487  -9.739
  359    HE2  LYS  39           HE2      LYS  39 -12.495  -5.446 -10.956
  360    HE3  LYS  39           HE3      LYS  39 -11.582  -4.435  -9.828
  361    HZ1  LYS  39           HZ1      LYS  39 -10.322  -4.839 -11.873
  362    HZ2  LYS  39           HZ2      LYS  39  -9.533  -5.526 -10.620
  363    HZ3  LYS  39           HZ3      LYS  39 -10.383  -6.455 -11.666
  364    H    GLY  40           H        GLY  40 -17.145  -8.035  -8.904
  365    HA2  GLY  40           HA2      GLY  40 -18.818  -6.210 -10.506
  366    HA3  GLY  40           HA3      GLY  40 -18.948  -7.960 -10.403
  367    H    GLU  41           H        GLU  41 -18.859  -6.647  -7.226
  368    HA   GLU  41           HA       GLU  41 -21.832  -6.600  -7.022
  369    HB2  GLU  41           HB2      GLU  41 -21.198  -8.901  -6.770
  370    HB3  GLU  41           HB3      GLU  41 -19.913  -8.479  -5.628
  371    HG2  GLU  41           HG2      GLU  41 -21.663  -7.660  -4.016
  372    HG3  GLU  41           HG3      GLU  41 -22.896  -8.206  -5.154
  373    H    LYS  42           H        LYS  42 -22.637  -5.149  -5.717
  374    HA   LYS  42           HA       LYS  42 -21.239  -4.412  -3.175
  375    HB2  LYS  42           HB2      LYS  42 -22.744  -2.533  -5.033
  376    HB3  LYS  42           HB3      LYS  42 -22.207  -2.106  -3.414
  377    HG2  LYS  42           HG2      LYS  42 -20.321  -2.889  -5.676
  378    HG3  LYS  42           HG3      LYS  42 -20.782  -1.245  -5.253
  379    HD2  LYS  42           HD2      LYS  42 -19.808  -1.536  -2.979
  380    HD3  LYS  42           HD3      LYS  42 -19.329  -3.180  -3.388
  381    HE2  LYS  42           HE2      LYS  42 -17.393  -1.707  -3.543
  382    HE3  LYS  42           HE3      LYS  42 -17.786  -2.361  -5.126
  383    HZ1  LYS  42           HZ1      LYS  42 -18.827  -0.221  -5.694
  384    HZ2  LYS  42           HZ2      LYS  42 -18.541   0.381  -4.196
  385    HZ3  LYS  42           HZ3      LYS  42 -17.300   0.034  -5.197
  386    H    GLN  43           H        GLN  43 -23.153  -6.481  -3.805
  387    HA   GLN  43           HA       GLN  43 -25.816  -5.706  -2.940
  388    HB2  GLN  43           HB2      GLN  43 -25.195  -7.426  -4.680
  389    HB3  GLN  43           HB3      GLN  43 -24.633  -8.486  -3.397
  390    HG2  GLN  43           HG2      GLN  43 -27.472  -7.420  -3.673
  391    HG3  GLN  43           HG3      GLN  43 -26.913  -8.959  -4.324
  392   HE21  GLN  43          HE21      GLN  43 -28.593  -9.465  -0.960
  393   HE22  GLN  43          HE22      GLN  43 -29.075  -8.493  -2.341
  394    H    LEU  44           H        LEU  44 -23.234  -7.782  -1.500
  395    HA   LEU  44           HA       LEU  44 -24.537  -7.848   1.094
  396    HB2  LEU  44           HB2      LEU  44 -21.740  -8.574   0.141
  397    HB3  LEU  44           HB3      LEU  44 -22.226  -8.718   1.825
  398    HG   LEU  44           HG       LEU  44 -23.492 -10.240  -0.502
  399   HD11  LEU  44          HD11      LEU  44 -22.426 -12.178   0.550
  400   HD12  LEU  44          HD12      LEU  44 -21.207 -10.960   0.144
  401   HD13  LEU  44          HD13      LEU  44 -21.749 -11.139   1.831
  402   HD21  LEU  44          HD21      LEU  44 -24.597 -11.545   1.348
  403   HD22  LEU  44          HD22      LEU  44 -24.073 -10.303   2.501
  404   HD23  LEU  44          HD23      LEU  44 -25.209  -9.903   1.192
  405    HA   PRO  45           HA       PRO  45 -23.687  -4.087   2.912
  406    HB2  PRO  45           HB2      PRO  45 -22.236  -5.496   5.163
  407    HB3  PRO  45           HB3      PRO  45 -23.464  -4.185   5.255
  408    HG2  PRO  45           HG2      PRO  45 -24.225  -6.748   5.641
  409    HG3  PRO  45           HG3      PRO  45 -25.213  -5.684   4.583
  410    HD2  PRO  45           HD2      PRO  45 -23.183  -7.777   3.783
  411    HD3  PRO  45           HD3      PRO  45 -24.800  -7.424   3.089
  412    H    VAL  46           H        VAL  46 -22.355  -2.496   2.421
  413    HA   VAL  46           HA       VAL  46 -19.585  -3.014   1.776
  414    HB   VAL  46           HB       VAL  46 -21.185  -1.790   0.330
  415   HG11  VAL  46          HG11      VAL  46 -21.526   0.572   0.540
  416   HG12  VAL  46          HG12      VAL  46 -22.146  -0.214   1.997
  417   HG13  VAL  46          HG13      VAL  46 -20.597   0.654   2.040
  418   HG21  VAL  46          HG21      VAL  46 -19.509  -0.284  -0.602
  419   HG22  VAL  46          HG22      VAL  46 -18.525  -0.430   0.861
  420   HG23  VAL  46          HG23      VAL  46 -18.818  -1.852  -0.168
  421    H    LEU  47           H        LEU  47 -19.763  -3.438   4.369
  422    HA   LEU  47           HA       LEU  47 -19.343  -1.153   6.068
  423    HB2  LEU  47           HB2      LEU  47 -18.992  -4.144   6.487
  424    HB3  LEU  47           HB3      LEU  47 -18.819  -2.986   7.795
  425    HG   LEU  47           HG       LEU  47 -21.371  -3.267   6.157
  426   HD11  LEU  47          HD11      LEU  47 -20.683  -4.416   8.890
  427   HD12  LEU  47          HD12      LEU  47 -22.268  -4.481   8.078
  428   HD13  LEU  47          HD13      LEU  47 -20.879  -5.345   7.374
  429   HD21  LEU  47          HD21      LEU  47 -22.400  -2.089   8.088
  430   HD22  LEU  47          HD22      LEU  47 -20.790  -1.892   8.818
  431   HD23  LEU  47          HD23      LEU  47 -21.194  -1.079   7.289
  432    H    ASP  48           H        ASP  48 -17.597  -1.020   7.642
  433    HA   ASP  48           HA       ASP  48 -15.362  -0.044   6.287
  434    HB2  ASP  48           HB2      ASP  48 -14.542   0.525   8.598
  435    HB3  ASP  48           HB3      ASP  48 -16.142   1.100   8.143
  436    H    LYS  49           H        LYS  49 -15.562  -3.277   7.107
  437    HA   LYS  49           HA       LYS  49 -12.722  -3.731   7.739
  438    HB2  LYS  49           HB2      LYS  49 -14.903  -5.647   6.828
  439    HB3  LYS  49           HB3      LYS  49 -13.323  -6.124   7.433
  440    HG2  LYS  49           HG2      LYS  49 -15.442  -4.635   9.071
  441    HG3  LYS  49           HG3      LYS  49 -15.175  -6.369   9.057
  442    HD2  LYS  49           HD2      LYS  49 -13.954  -5.930  10.898
  443    HD3  LYS  49           HD3      LYS  49 -12.690  -5.727   9.703
  444    HE2  LYS  49           HE2      LYS  49 -12.458  -3.978  11.288
  445    HE3  LYS  49           HE3      LYS  49 -13.006  -3.226   9.793
  446    HZ1  LYS  49           HZ1      LYS  49 -15.110  -2.791  10.734
  447    HZ2  LYS  49           HZ2      LYS  49 -14.958  -3.939  11.923
  448    HZ3  LYS  49           HZ3      LYS  49 -14.098  -2.573  12.017
  449    H    THR  50           H        THR  50 -11.267  -3.163   6.264
  450    HA   THR  50           HA       THR  50 -11.457  -4.254   3.481
  451    HB   THR  50           HB       THR  50 -10.359  -2.334   2.633
  452    HG1  THR  50           HG1      THR  50  -9.809  -0.626   4.160
  453   HG21  THR  50          HG21      THR  50 -12.360  -1.220   4.650
  454   HG22  THR  50          HG22      THR  50 -11.888  -0.527   3.094
  455   HG23  THR  50          HG23      THR  50 -12.832  -2.023   3.134
  456    H    LYS  51           H        LYS  51  -9.650  -4.604   6.280
  457    HA   LYS  51           HA       LYS  51  -7.347  -5.884   4.931
  458    HB2  LYS  51           HB2      LYS  51  -6.945  -3.379   5.116
  459    HB3  LYS  51           HB3      LYS  51  -7.056  -3.529   6.865
  460    HG2  LYS  51           HG2      LYS  51  -5.031  -4.999   6.840
  461    HG3  LYS  51           HG3      LYS  51  -4.977  -4.859   5.065
  462    HD2  LYS  51           HD2      LYS  51  -4.776  -2.381   5.280
  463    HD3  LYS  51           HD3      LYS  51  -4.789  -2.542   7.051
  464    HE2  LYS  51           HE2      LYS  51  -2.675  -3.961   6.837
  465    HE3  LYS  51           HE3      LYS  51  -2.667  -3.568   5.111
  466    HZ1  LYS  51           HZ1      LYS  51  -2.639  -1.140   5.855
  467    HZ2  LYS  51           HZ2      LYS  51  -2.317  -1.643   7.388
  468    HZ3  LYS  51           HZ3      LYS  51  -1.261  -1.939   6.159
  469    H    PHE  52           H        PHE  52  -6.240  -7.328   6.434
  470    HA   PHE  52           HA       PHE  52  -7.076  -7.420   9.212
  471    HB2  PHE  52           HB2      PHE  52  -7.958  -9.557   7.314
  472    HB3  PHE  52           HB3      PHE  52  -7.616  -9.973   8.980
  473    HD1  PHE  52           HD1      PHE  52  -8.784  -7.943  10.652
  474    HD2  PHE  52           HD2      PHE  52 -10.235  -9.599   6.942
  475    HE1  PHE  52           HE1      PHE  52 -11.109  -7.510  11.368
  476    HE2  PHE  52           HE2      PHE  52 -12.561  -9.154   7.668
  477    HZ   PHE  52           HZ       PHE  52 -13.004  -8.168   9.895
  478    H    LEU  53           H        LEU  53  -5.983  -8.952  10.608
  479    HA   LEU  53           HA       LEU  53  -3.454 -10.052   9.481
  480    HB2  LEU  53           HB2      LEU  53  -3.733  -8.825  12.242
  481    HB3  LEU  53           HB3      LEU  53  -2.305  -9.611  11.596
  482    HG   LEU  53           HG       LEU  53  -3.478  -6.982  10.586
  483   HD11  LEU  53          HD11      LEU  53  -2.464  -6.790  12.807
  484   HD12  LEU  53          HD12      LEU  53  -1.015  -7.637  12.256
  485   HD13  LEU  53          HD13      LEU  53  -1.417  -6.033  11.604
  486   HD21  LEU  53          HD21      LEU  53  -1.006  -8.561   9.751
  487   HD22  LEU  53          HD22      LEU  53  -2.382  -8.068   8.739
  488   HD23  LEU  53          HD23      LEU  53  -1.274  -6.846   9.349
  489    H    VAL  54           H        VAL  54  -2.968 -12.139  10.277
  490    HA   VAL  54           HA       VAL  54  -4.991 -13.300  12.146
  491    HB   VAL  54           HB       VAL  54  -4.135 -14.813   9.699
  492   HG11  VAL  54          HG11      VAL  54  -6.180 -16.113  10.181
  493   HG12  VAL  54          HG12      VAL  54  -5.098 -16.101  11.585
  494   HG13  VAL  54          HG13      VAL  54  -6.533 -15.056  11.569
  495   HG21  VAL  54          HG21      VAL  54  -5.286 -12.839   8.821
  496   HG22  VAL  54          HG22      VAL  54  -6.302 -14.264   8.666
  497   HG23  VAL  54          HG23      VAL  54  -6.625 -13.088   9.960
  498    HA   PRO  55           HA       PRO  55  -1.185 -15.104  13.842
  499    HB2  PRO  55           HB2      PRO  55  -2.177 -16.400  16.017
  500    HB3  PRO  55           HB3      PRO  55  -2.042 -14.617  15.957
  501    HG2  PRO  55           HG2      PRO  55  -4.480 -16.309  15.392
  502    HG3  PRO  55           HG3      PRO  55  -4.367 -14.862  16.439
  503    HD2  PRO  55           HD2      PRO  55  -5.265 -14.750  13.855
  504    HD3  PRO  55           HD3      PRO  55  -4.331 -13.409  14.587
  505    H    ASP  56           H        ASP  56  -0.179 -17.054  13.495
  506    HA   ASP  56           HA       ASP  56  -1.169 -18.797  11.625
  507    HB2  ASP  56           HB2      ASP  56   0.685 -20.348  12.273
  508    HB3  ASP  56           HB3      ASP  56   1.097 -18.692  11.856
  509    H    HIS  57           H        HIS  57  -1.758 -19.189  15.038
  510    HA   HIS  57           HA       HIS  57  -2.725 -21.900  14.951
  511    HB2  HIS  57           HB2      HIS  57  -1.886 -20.703  16.967
  512    HB3  HIS  57           HB3      HIS  57  -3.283 -19.633  16.928
  513    HD1  HIS  57           HD1      HIS  57  -2.777 -23.518  17.100
  514    HD2  HIS  57           HD2      HIS  57  -5.013 -20.322  18.725
  515    HE1  HIS  57           HE1      HIS  57  -4.303 -24.541  18.905
  516    HE2  HIS  57           HE2      HIS  57  -5.668 -22.587  19.878
  517    H    VAL  58           H        VAL  58  -4.345 -18.950  13.950
  518    HA   VAL  58           HA       VAL  58  -7.093 -19.887  14.460
  519    HB   VAL  58           HB       VAL  58  -5.838 -17.552  13.052
  520   HG11  VAL  58          HG11      VAL  58  -8.769 -18.322  12.783
  521   HG12  VAL  58          HG12      VAL  58  -8.124 -16.704  12.471
  522   HG13  VAL  58          HG13      VAL  58  -7.606 -18.062  11.464
  523   HG21  VAL  58          HG21      VAL  58  -6.332 -17.605  15.536
  524   HG22  VAL  58          HG22      VAL  58  -7.151 -16.296  14.660
  525   HG23  VAL  58          HG23      VAL  58  -8.050 -17.747  15.141
  526    H    ASN  59           H        ASN  59  -8.340 -21.102  13.142
  527    HA   ASN  59           HA       ASN  59  -7.272 -22.194  10.614
  528    HB2  ASN  59           HB2      ASN  59  -9.880 -22.712  12.109
  529    HB3  ASN  59           HB3      ASN  59  -9.305 -23.620  10.715
  530   HD21  ASN  59          HD21      ASN  59  -8.422 -25.336  13.999
  531   HD22  ASN  59          HD22      ASN  59  -9.916 -24.587  13.458
  532    H    MET  60           H        MET  60  -8.564 -22.139   8.570
  533    HA   MET  60           HA       MET  60  -9.614 -19.516   7.992
  534    HB2  MET  60           HB2      MET  60  -9.660 -22.152   6.528
  535    HB3  MET  60           HB3      MET  60 -10.747 -20.879   5.995
  536    HG2  MET  60           HG2      MET  60  -7.735 -20.747   6.139
  537    HG3  MET  60           HG3      MET  60  -8.752 -20.783   4.693
  538    HE1  MET  60           HE1      MET  60 -10.399 -17.087   4.960
  539    HE2  MET  60           HE2      MET  60 -10.405 -18.587   4.019
  540    HE3  MET  60           HE3      MET  60 -11.067 -18.565   5.673
  541    H    SER  61           H        SER  61 -11.384 -22.524   8.868
  542    HA   SER  61           HA       SER  61 -14.014 -21.494   8.733
  543    HB2  SER  61           HB2      SER  61 -14.508 -23.245  10.442
  544    HB3  SER  61           HB3      SER  61 -13.553 -23.839   9.071
  545    HG   SER  61           HG       SER  61 -12.789 -24.469  11.245
  546    H    GLU  62           H        GLU  62 -11.699 -21.284  11.458
  547    HA   GLU  62           HA       GLU  62 -13.397 -19.779  13.213
  548    HB2  GLU  62           HB2      GLU  62 -11.526 -20.893  14.157
  549    HB3  GLU  62           HB3      GLU  62 -10.412 -20.143  13.032
  550    HG2  GLU  62           HG2      GLU  62 -10.092 -19.205  15.203
  551    HG3  GLU  62           HG3      GLU  62 -10.666 -17.961  14.109
  552    H    LEU  63           H        LEU  63 -10.848 -18.614  10.944
  553    HA   LEU  63           HA       LEU  63 -11.223 -15.829  11.335
  554    HB2  LEU  63           HB2      LEU  63  -9.329 -16.868  10.106
  555    HB3  LEU  63           HB3      LEU  63 -10.430 -17.373   8.826
  556    HG   LEU  63           HG       LEU  63 -10.916 -14.950   8.332
  557   HD11  LEU  63          HD11      LEU  63 -10.348 -13.910  10.467
  558   HD12  LEU  63          HD12      LEU  63  -8.671 -14.500  10.348
  559   HD13  LEU  63          HD13      LEU  63  -9.277 -13.273   9.214
  560   HD21  LEU  63          HD21      LEU  63  -8.017 -15.852   8.180
  561   HD22  LEU  63          HD22      LEU  63  -9.305 -16.134   6.993
  562   HD23  LEU  63          HD23      LEU  63  -8.719 -14.493   7.261
  563    H    ILE  64           H        ILE  64 -12.901 -18.045   9.103
  564    HA   ILE  64           HA       ILE  64 -14.627 -16.141   7.867
  565    HB   ILE  64           HB       ILE  64 -14.716 -19.129   8.287
  566   HG12  ILE  64          HG12      ILE  64 -14.617 -17.534   5.717
  567   HG13  ILE  64          HG13      ILE  64 -13.164 -17.913   6.632
  568   HG21  ILE  64          HG21      ILE  64 -17.095 -18.530   8.283
  569   HG22  ILE  64          HG22      ILE  64 -16.866 -17.533   6.826
  570   HG23  ILE  64          HG23      ILE  64 -16.665 -19.302   6.773
  571   HD11  ILE  64          HD11      ILE  64 -13.346 -19.531   4.909
  572   HD12  ILE  64          HD12      ILE  64 -13.782 -20.378   6.405
  573   HD13  ILE  64          HD13      ILE  64 -15.047 -19.845   5.264
  574    H    LYS  65           H        LYS  65 -15.328 -18.174  10.834
  575    HA   LYS  65           HA       LYS  65 -17.871 -16.807  11.048
  576    HB2  LYS  65           HB2      LYS  65 -18.324 -17.991  13.027
  577    HB3  LYS  65           HB3      LYS  65 -17.678 -19.055  11.786
  578    HG2  LYS  65           HG2      LYS  65 -15.522 -19.171  12.973
  579    HG3  LYS  65           HG3      LYS  65 -16.130 -18.054  14.217
  580    HD2  LYS  65           HD2      LYS  65 -17.928 -19.639  14.800
  581    HD3  LYS  65           HD3      LYS  65 -17.459 -20.701  13.482
  582    HE2  LYS  65           HE2      LYS  65 -16.751 -21.661  15.545
  583    HE3  LYS  65           HE3      LYS  65 -15.333 -21.229  14.588
  584    HZ1  LYS  65           HZ1      LYS  65 -14.855 -19.441  16.026
  585    HZ2  LYS  65           HZ2      LYS  65 -16.354 -19.449  16.747
  586    HZ3  LYS  65           HZ3      LYS  65 -15.270 -20.640  17.034
  587    H    ILE  66           H        ILE  66 -14.739 -15.990  12.610
  588    HA   ILE  66           HA       ILE  66 -15.996 -13.930  14.226
  589    HB   ILE  66           HB       ILE  66 -13.822 -14.655  14.827
  590   HG12  ILE  66          HG12      ILE  66 -14.666 -12.207  15.183
  591   HG13  ILE  66          HG13      ILE  66 -13.049 -12.696  15.637
  592   HG21  ILE  66          HG21      ILE  66 -12.714 -13.432  12.263
  593   HG22  ILE  66          HG22      ILE  66 -11.756 -14.003  13.647
  594   HG23  ILE  66          HG23      ILE  66 -12.737 -15.133  12.732
  595   HD11  ILE  66          HD11      ILE  66 -13.175 -10.430  14.578
  596   HD12  ILE  66          HD12      ILE  66 -12.038 -11.526  13.806
  597   HD13  ILE  66          HD13      ILE  66 -13.604 -11.200  13.039
  598    H    ILE  67           H        ILE  67 -14.683 -13.854  10.872
  599    HA   ILE  67           HA       ILE  67 -15.325 -11.075  10.463
  600    HB   ILE  67           HB       ILE  67 -14.807 -13.392   8.568
  601   HG12  ILE  67          HG12      ILE  67 -13.241 -10.877   9.334
  602   HG13  ILE  67          HG13      ILE  67 -12.959 -12.457  10.023
  603   HG21  ILE  67          HG21      ILE  67 -16.285 -11.850   7.334
  604   HG22  ILE  67          HG22      ILE  67 -15.276 -10.463   7.826
  605   HG23  ILE  67          HG23      ILE  67 -14.654 -11.712   6.723
  606   HD11  ILE  67          HD11      ILE  67 -12.390 -13.334   7.740
  607   HD12  ILE  67          HD12      ILE  67 -12.448 -11.663   7.145
  608   HD13  ILE  67          HD13      ILE  67 -11.275 -12.108   8.391
  609    H    ARG  68           H        ARG  68 -17.258 -14.023   9.789
  610    HA   ARG  68           HA       ARG  68 -19.563 -12.697   8.766
  611    HB2  ARG  68           HB2      ARG  68 -18.887 -15.188   8.791
  612    HB3  ARG  68           HB3      ARG  68 -19.607 -15.281  10.388
  613    HG2  ARG  68           HG2      ARG  68 -21.031 -14.466   7.809
  614    HG3  ARG  68           HG3      ARG  68 -20.985 -16.099   8.453
  615    HD2  ARG  68           HD2      ARG  68 -22.441 -13.726   9.637
  616    HD3  ARG  68           HD3      ARG  68 -23.124 -15.172   8.924
  617    HE   ARG  68           HE       ARG  68 -21.932 -16.432  10.838
  618   HH11  ARG  68          HH11      ARG  68 -23.501 -13.289  11.275
  619   HH12  ARG  68          HH12      ARG  68 -23.821 -13.617  12.954
  620   HH21  ARG  68          HH21      ARG  68 -22.340 -16.720  12.991
  621   HH22  ARG  68          HH22      ARG  68 -23.173 -15.499  13.899
  622    H    ARG  69           H        ARG  69 -18.599 -13.209  12.162
  623    HA   ARG  69           HA       ARG  69 -21.056 -11.947  13.169
  624    HB2  ARG  69           HB2      ARG  69 -19.940 -13.673  14.496
  625    HB3  ARG  69           HB3      ARG  69 -18.447 -12.736  14.535
  626    HG2  ARG  69           HG2      ARG  69 -19.609 -12.551  16.671
  627    HG3  ARG  69           HG3      ARG  69 -19.541 -10.979  15.891
  628    HD2  ARG  69           HD2      ARG  69 -21.940 -11.393  15.068
  629    HD3  ARG  69           HD3      ARG  69 -21.935 -12.850  16.055
  630    HE   ARG  69           HE       ARG  69 -22.077 -11.567  17.993
  631   HH11  ARG  69          HH11      ARG  69 -21.454  -9.310  15.340
  632   HH12  ARG  69          HH12      ARG  69 -21.988  -7.952  16.291
  633   HH21  ARG  69          HH21      ARG  69 -22.660  -9.774  19.129
  634   HH22  ARG  69          HH22      ARG  69 -22.605  -8.200  18.393
  635    H    ARG  70           H        ARG  70 -17.726 -10.746  12.568
  636    HA   ARG  70           HA       ARG  70 -18.197  -8.203  13.840
  637    HB2  ARG  70           HB2      ARG  70 -15.952  -9.245  13.443
  638    HB3  ARG  70           HB3      ARG  70 -16.131  -8.959  11.715
  639    HG2  ARG  70           HG2      ARG  70 -14.680  -7.321  12.762
  640    HG3  ARG  70           HG3      ARG  70 -16.089  -6.528  12.068
  641    HD2  ARG  70           HD2      ARG  70 -15.945  -7.275  15.012
  642    HD3  ARG  70           HD3      ARG  70 -15.214  -5.782  14.405
  643    HE   ARG  70           HE       ARG  70 -17.848  -5.743  13.428
  644   HH11  ARG  70          HH11      ARG  70 -16.372  -5.667  16.613
  645   HH12  ARG  70          HH12      ARG  70 -17.718  -4.821  17.315
  646   HH21  ARG  70          HH21      ARG  70 -19.533  -4.692  14.382
  647   HH22  ARG  70          HH22      ARG  70 -19.458  -4.255  16.064
  648    H    LEU  71           H        LEU  71 -18.577  -9.332  10.525
  649    HA   LEU  71           HA       LEU  71 -19.717  -6.787   9.523
  650    HB2  LEU  71           HB2      LEU  71 -19.600  -9.613   8.369
  651    HB3  LEU  71           HB3      LEU  71 -20.236  -8.212   7.509
  652    HG   LEU  71           HG       LEU  71 -17.334  -8.470   8.425
  653   HD11  LEU  71          HD11      LEU  71 -17.919 -10.180   6.735
  654   HD12  LEU  71          HD12      LEU  71 -18.583  -8.915   5.678
  655   HD13  LEU  71          HD13      LEU  71 -16.848  -8.943   6.058
  656   HD21  LEU  71          HD21      LEU  71 -16.975  -6.650   6.766
  657   HD22  LEU  71          HD22      LEU  71 -18.723  -6.550   6.490
  658   HD23  LEU  71          HD23      LEU  71 -18.035  -6.120   8.085
  659    H    GLN  72           H        GLN  72 -22.038  -6.570   9.081
  660    HA   GLN  72           HA       GLN  72 -23.744  -8.045  10.906
  661    HB2  GLN  72           HB2      GLN  72 -24.351  -5.804   8.967
  662    HB3  GLN  72           HB3      GLN  72 -25.521  -6.531  10.084
  663    HG2  GLN  72           HG2      GLN  72 -24.058  -5.945  12.015
  664    HG3  GLN  72           HG3      GLN  72 -22.933  -5.137  10.932
  665   HE21  GLN  72          HE21      GLN  72 -25.090  -2.474  12.328
  666   HE22  GLN  72          HE22      GLN  72 -23.885  -3.602  12.942
  667    H    LEU  73           H        LEU  73 -22.798  -9.968   9.410
  668    HA   LEU  73           HA       LEU  73 -24.722 -10.672   7.239
  669    HB2  LEU  73           HB2      LEU  73 -22.111 -11.916   8.173
  670    HB3  LEU  73           HB3      LEU  73 -23.119 -12.602   6.899
  671    HG   LEU  73           HG       LEU  73 -21.885  -9.810   6.751
  672   HD11  LEU  73          HD11      LEU  73 -20.103 -11.470   6.877
  673   HD12  LEU  73          HD12      LEU  73 -20.910 -12.473   5.660
  674   HD13  LEU  73          HD13      LEU  73 -20.241 -10.888   5.213
  675   HD21  LEU  73          HD21      LEU  73 -23.816 -10.137   5.237
  676   HD22  LEU  73          HD22      LEU  73 -22.301 -10.069   4.327
  677   HD23  LEU  73          HD23      LEU  73 -23.082 -11.641   4.619
  678    H    ASN  74           H        ASN  74 -25.908 -12.574   7.274
  679    HA   ASN  74           HA       ASN  74 -26.221 -14.071   9.825
  680    HB2  ASN  74           HB2      ASN  74 -27.765 -12.134   9.909
  681    HB3  ASN  74           HB3      ASN  74 -28.421 -12.560   8.326
  682   HD21  ASN  74          HD21      ASN  74 -29.943 -14.340  11.605
  683   HD22  ASN  74          HD22      ASN  74 -28.727 -13.080  11.730
  684    H    ALA  75           H        ALA  75 -27.195 -16.174   9.527
  685    HA   ALA  75           HA       ALA  75 -26.356 -17.537   7.218
  686    HB1  ALA  75           HB1      ALA  75 -28.400 -18.348   9.332
  687    HB2  ALA  75           HB2      ALA  75 -27.538 -19.448   8.237
  688    HB3  ALA  75           HB3      ALA  75 -26.633 -18.536   9.451
  689    H    ASN  76           H        ASN  76 -29.414 -15.865   7.663
  690    HA   ASN  76           HA       ASN  76 -30.870 -17.185   5.521
  691    HB2  ASN  76           HB2      ASN  76 -31.184 -14.492   6.915
  692    HB3  ASN  76           HB3      ASN  76 -32.273 -15.079   5.664
  693   HD21  ASN  76          HD21      ASN  76 -32.705 -16.528   9.416
  694   HD22  ASN  76          HD22      ASN  76 -31.389 -15.419   9.026
  695    H    GLN  77           H        GLN  77 -28.289 -14.825   5.469
  696    HA   GLN  77           HA       GLN  77 -28.930 -13.873   2.737
  697    HB2  GLN  77           HB2      GLN  77 -26.473 -13.276   4.439
  698    HB3  GLN  77           HB3      GLN  77 -27.004 -12.440   2.988
  699    HG2  GLN  77           HG2      GLN  77 -28.268 -12.372   5.755
  700    HG3  GLN  77           HG3      GLN  77 -27.519 -11.048   4.868
  701   HE21  GLN  77          HE21      GLN  77 -30.456 -10.665   2.684
  702   HE22  GLN  77          HE22      GLN  77 -28.707 -10.527   2.639
  703    H    ALA  78           H        ALA  78 -27.729 -14.417   0.894
  704    HA   ALA  78           HA       ALA  78 -26.111 -16.847   0.910
  705    HB1  ALA  78           HB1      ALA  78 -25.825 -16.345  -1.482
  706    HB2  ALA  78           HB2      ALA  78 -27.533 -16.265  -0.999
  707    HB3  ALA  78           HB3      ALA  78 -26.609 -14.768  -1.255
  708    H    PHE  79           H        PHE  79 -24.009 -16.915   1.528
  709    HA   PHE  79           HA       PHE  79 -22.181 -14.741   0.918
  710    HB2  PHE  79           HB2      PHE  79 -22.811 -13.714   2.837
  711    HB3  PHE  79           HB3      PHE  79 -23.123 -15.213   3.687
  712    HD1  PHE  79           HD1      PHE  79 -21.457 -16.310   5.021
  713    HD2  PHE  79           HD2      PHE  79 -20.378 -12.956   2.534
  714    HE1  PHE  79           HE1      PHE  79 -19.264 -16.167   6.168
  715    HE2  PHE  79           HE2      PHE  79 -18.203 -12.786   3.728
  716    HZ   PHE  79           HZ       PHE  79 -17.638 -14.395   5.532
  717    H    PHE  80           H        PHE  80 -20.162 -15.208   0.531
  718    HA   PHE  80           HA       PHE  80 -18.928 -17.621   1.758
  719    HB2  PHE  80           HB2      PHE  80 -18.762 -16.941  -1.209
  720    HB3  PHE  80           HB3      PHE  80 -17.960 -18.275  -0.397
  721    HD1  PHE  80           HD1      PHE  80 -21.106 -17.049  -1.839
  722    HD2  PHE  80           HD2      PHE  80 -19.253 -20.277   0.343
  723    HE1  PHE  80           HE1      PHE  80 -23.042 -18.512  -2.357
  724    HE2  PHE  80           HE2      PHE  80 -21.195 -21.737  -0.178
  725    HZ   PHE  80           HZ       PHE  80 -23.091 -20.857  -1.523
  726    H    LEU  81           H        LEU  81 -16.952 -17.125   2.555
  727    HA   LEU  81           HA       LEU  81 -15.478 -14.732   1.532
  728    HB2  LEU  81           HB2      LEU  81 -15.795 -14.580   3.888
  729    HB3  LEU  81           HB3      LEU  81 -15.327 -16.256   4.131
  730    HG   LEU  81           HG       LEU  81 -12.984 -15.729   3.547
  731   HD11  LEU  81          HD11      LEU  81 -13.982 -12.830   3.404
  732   HD12  LEU  81          HD12      LEU  81 -12.285 -13.323   3.412
  733   HD13  LEU  81          HD13      LEU  81 -13.307 -13.751   2.038
  734   HD21  LEU  81          HD21      LEU  81 -12.411 -14.350   5.491
  735   HD22  LEU  81          HD22      LEU  81 -14.125 -13.879   5.665
  736   HD23  LEU  81          HD23      LEU  81 -13.614 -15.564   5.891
  737    H    LEU  82           H        LEU  82 -13.751 -15.015   0.329
  738    HA   LEU  82           HA       LEU  82 -12.857 -17.770  -0.374
  739    HB2  LEU  82           HB2      LEU  82 -12.885 -15.386  -2.220
  740    HB3  LEU  82           HB3      LEU  82 -12.917 -17.093  -2.638
  741    HG   LEU  82           HG       LEU  82 -15.290 -15.567  -1.442
  742   HD11  LEU  82          HD11      LEU  82 -14.604 -14.669  -3.649
  743   HD12  LEU  82          HD12      LEU  82 -14.808 -16.301  -4.346
  744   HD13  LEU  82          HD13      LEU  82 -16.193 -15.432  -3.644
  745   HD21  LEU  82          HD21      LEU  82 -15.085 -18.276  -2.819
  746   HD22  LEU  82          HD22      LEU  82 -15.444 -17.994  -1.098
  747   HD23  LEU  82          HD23      LEU  82 -16.592 -17.474  -2.338
  748    H    VAL  83           H        VAL  83 -10.660 -18.076  -0.910
  749    HA   VAL  83           HA       VAL  83  -8.812 -15.770  -0.403
  750    HB   VAL  83           HB       VAL  83  -8.540 -17.708   1.128
  751   HG11  VAL  83          HG11      VAL  83  -7.303 -19.097  -1.284
  752   HG12  VAL  83          HG12      VAL  83  -7.360 -19.688   0.388
  753   HG13  VAL  83          HG13      VAL  83  -8.856 -19.542  -0.557
  754   HG21  VAL  83          HG21      VAL  83  -6.100 -17.689   1.014
  755   HG22  VAL  83          HG22      VAL  83  -6.155 -16.969  -0.612
  756   HG23  VAL  83          HG23      VAL  83  -6.764 -16.064   0.790
  757    H    ASN  84           H        ASN  84  -7.823 -14.896  -2.153
  758    HA   ASN  84           HA       ASN  84  -7.709 -14.408  -4.402
  759    HB2  ASN  84           HB2      ASN  84  -6.534 -17.210  -4.379
  760    HB3  ASN  84           HB3      ASN  84  -6.389 -16.097  -5.737
  761   HD21  ASN  84          HD21      ASN  84  -3.440 -15.891  -3.315
  762   HD22  ASN  84          HD22      ASN  84  -4.336 -17.292  -3.909
  763    H    GLY  85           H        GLY  85 -10.332 -15.236  -3.692
  764    HA2  GLY  85           HA2      GLY  85 -12.334 -15.545  -4.785
  765    HA3  GLY  85           HA3      GLY  85 -11.484 -15.897  -6.286
  766    H    HIS  86           H        HIS  86 -10.219 -18.050  -4.026
  767    HA   HIS  86           HA       HIS  86 -11.957 -20.298  -4.871
  768    HB2  HIS  86           HB2      HIS  86  -9.467 -20.323  -3.111
  769    HB3  HIS  86           HB3      HIS  86 -10.196 -21.690  -3.955
  770    HD1  HIS  86           HD1      HIS  86  -7.108 -20.403  -4.327
  771    HD2  HIS  86           HD2      HIS  86 -10.511 -20.110  -6.859
  772    HE1  HIS  86           HE1      HIS  86  -6.230 -19.854  -6.676
  773    HE2  HIS  86           HE2      HIS  86  -8.292 -19.688  -8.220
  774    H    SER  87           H        SER  87 -13.472 -21.264  -3.574
  775    HA   SER  87           HA       SER  87 -14.362 -20.020  -1.182
  776    HB2  SER  87           HB2      SER  87 -15.018 -22.752  -2.339
  777    HB3  SER  87           HB3      SER  87 -15.897 -21.968  -1.008
  778    HG   SER  87           HG       SER  87 -16.864 -21.563  -3.059
  779    H    MET  88           H        MET  88 -14.016 -20.312   0.943
  780    HA   MET  88           HA       MET  88 -12.150 -22.500   1.806
  781    HB2  MET  88           HB2      MET  88 -12.405 -19.617   2.682
  782    HB3  MET  88           HB3      MET  88 -11.424 -20.799   3.552
  783    HG2  MET  88           HG2      MET  88 -10.969 -20.280   0.597
  784    HG3  MET  88           HG3      MET  88 -10.284 -19.260   1.850
  785    HE1  MET  88           HE1      MET  88  -9.369 -21.812  -0.517
  786    HE2  MET  88           HE2      MET  88  -8.532 -23.118   0.343
  787    HE3  MET  88           HE3      MET  88 -10.301 -23.007   0.414
  788    H    VAL  89           H        VAL  89 -15.378 -21.985   2.104
  789    HA   VAL  89           HA       VAL  89 -15.741 -21.867   4.924
  790    HB   VAL  89           HB       VAL  89 -18.017 -22.124   4.639
  791   HG11  VAL  89          HG11      VAL  89 -18.604 -20.556   2.918
  792   HG12  VAL  89          HG12      VAL  89 -17.034 -20.065   3.578
  793   HG13  VAL  89          HG13      VAL  89 -17.128 -20.884   1.998
  794   HG21  VAL  89          HG21      VAL  89 -17.518 -23.409   1.927
  795   HG22  VAL  89          HG22      VAL  89 -18.178 -24.199   3.377
  796   HG23  VAL  89          HG23      VAL  89 -19.102 -22.936   2.566
  797    H    SER  90           H        SER  90 -15.056 -24.692   3.033
  798    HA   SER  90           HA       SER  90 -15.727 -26.558   5.212
  799    HB2  SER  90           HB2      SER  90 -14.921 -28.250   3.607
  800    HB3  SER  90           HB3      SER  90 -16.170 -27.197   2.917
  801    HG   SER  90           HG       SER  90 -14.360 -27.495   1.486
  802    H    VAL  91           H        VAL  91 -13.097 -24.498   4.722
  803    HA   VAL  91           HA       VAL  91 -10.967 -26.456   5.179
  804    HB   VAL  91           HB       VAL  91 -10.799 -23.455   4.806
  805   HG11  VAL  91          HG11      VAL  91  -8.643 -25.594   4.623
  806   HG12  VAL  91          HG12      VAL  91  -8.443 -23.877   4.238
  807   HG13  VAL  91          HG13      VAL  91  -8.758 -24.364   5.905
  808   HG21  VAL  91          HG21      VAL  91 -11.730 -24.589   2.809
  809   HG22  VAL  91          HG22      VAL  91 -10.058 -24.094   2.515
  810   HG23  VAL  91          HG23      VAL  91 -10.428 -25.791   2.872
  811    H    SER  92           H        SER  92 -11.092 -27.307   7.154
  812    HA   SER  92           HA       SER  92 -11.011 -25.756   9.618
  813    HB2  SER  92           HB2      SER  92 -10.600 -27.963  10.651
  814    HB3  SER  92           HB3      SER  92 -11.993 -27.984   9.557
  815    HG   SER  92           HG       SER  92 -10.590 -29.801   9.230
  816    H    THR  93           H        THR  93  -8.625 -26.465   7.253
  817    HA   THR  93           HA       THR  93  -6.320 -26.823   8.676
  818    HB   THR  93           HB       THR  93  -6.359 -25.100   6.218
  819    HG1  THR  93           HG1      THR  93  -6.478 -27.109   5.065
  820   HG21  THR  93          HG21      THR  93  -4.125 -25.599   7.120
  821   HG22  THR  93          HG22      THR  93  -4.490 -27.346   7.078
  822   HG23  THR  93          HG23      THR  93  -4.382 -26.407   5.574
  823    HA   PRO  94           HA       PRO  94  -5.282 -22.932  10.758
  824    HB2  PRO  94           HB2      PRO  94  -2.538 -23.203  10.892
  825    HB3  PRO  94           HB3      PRO  94  -3.690 -23.996  12.010
  826    HG2  PRO  94           HG2      PRO  94  -2.422 -25.160   9.507
  827    HG3  PRO  94           HG3      PRO  94  -2.517 -25.887  11.146
  828    HD2  PRO  94           HD2      PRO  94  -4.290 -26.592   9.275
  829    HD3  PRO  94           HD3      PRO  94  -4.863 -26.265  10.928
  830    H    ILE  95           H        ILE  95  -4.550 -20.900  10.160
  831    HA   ILE  95           HA       ILE  95  -4.676 -20.330   7.421
  832    HB   ILE  95           HB       ILE  95  -5.333 -18.803   9.226
  833   HG12  ILE  95          HG12      ILE  95  -4.460 -16.664   8.362
  834   HG13  ILE  95          HG13      ILE  95  -3.250 -17.507   7.402
  835   HG21  ILE  95          HG21      ILE  95  -3.432 -19.138  10.793
  836   HG22  ILE  95          HG22      ILE  95  -2.332 -18.326   9.645
  837   HG23  ILE  95          HG23      ILE  95  -3.641 -17.436  10.424
  838   HD11  ILE  95          HD11      ILE  95  -5.287 -16.784   6.126
  839   HD12  ILE  95          HD12      ILE  95  -5.034 -18.538   6.047
  840   HD13  ILE  95          HD13      ILE  95  -6.272 -17.857   7.130
  841    H    SER  96           H        SER  96  -1.748 -21.083   9.240
  842    HA   SER  96           HA       SER  96   0.186 -19.762   7.628
  843    HB2  SER  96           HB2      SER  96   1.734 -21.493   8.577
  844    HB3  SER  96           HB3      SER  96   0.759 -20.629   9.778
  845    HG   SER  96           HG       SER  96   0.804 -22.955  10.089
  846    H    GLU  97           H        GLU  97  -1.188 -23.053   7.258
  847    HA   GLU  97           HA       GLU  97   0.415 -23.738   4.936
  848    HB2  GLU  97           HB2      GLU  97  -2.256 -24.839   5.887
  849    HB3  GLU  97           HB3      GLU  97  -1.232 -25.596   4.675
  850    HG2  GLU  97           HG2      GLU  97  -0.528 -25.172   7.616
  851    HG3  GLU  97           HG3      GLU  97  -1.088 -26.669   6.895
  852    H    VAL  98           H        VAL  98  -2.873 -22.428   5.323
  853    HA   VAL  98           HA       VAL  98  -3.550 -22.270   2.530
  854    HB   VAL  98           HB       VAL  98  -4.547 -20.493   4.781
  855   HG11  VAL  98          HG11      VAL  98  -5.181 -19.684   2.527
  856   HG12  VAL  98          HG12      VAL  98  -5.848 -21.286   2.143
  857   HG13  VAL  98          HG13      VAL  98  -6.580 -20.283   3.413
  858   HG21  VAL  98          HG21      VAL  98  -5.549 -23.221   3.874
  859   HG22  VAL  98          HG22      VAL  98  -4.912 -22.798   5.482
  860   HG23  VAL  98          HG23      VAL  98  -6.446 -22.124   4.941
  861    H    TYR  99           H        TYR  99  -1.994 -19.963   4.748
  862    HA   TYR  99           HA       TYR  99  -1.560 -17.856   2.969
  863    HB2  TYR  99           HB2      TYR  99  -1.242 -17.333   5.175
  864    HB3  TYR  99           HB3      TYR  99  -0.245 -18.725   5.484
  865    HD1  TYR  99           HD1      TYR  99  -0.140 -15.582   3.411
  866    HD2  TYR  99           HD2      TYR  99   2.055 -18.486   5.729
  867    HE1  TYR  99           HE1      TYR  99   1.907 -14.171   3.247
  868    HE2  TYR  99           HE2      TYR  99   4.097 -17.086   5.544
  869    HH   TYR  99           HH       TYR  99   4.998 -15.098   4.807
  870    H    GLU 100           H        GLU 100   0.950 -20.366   3.663
  871    HA   GLU 100           HA       GLU 100   2.651 -19.382   1.637
  872    HB2  GLU 100           HB2      GLU 100   3.360 -20.813   3.495
  873    HB3  GLU 100           HB3      GLU 100   2.383 -22.140   2.882
  874    HG2  GLU 100           HG2      GLU 100   4.690 -22.547   2.407
  875    HG3  GLU 100           HG3      GLU 100   3.813 -22.337   0.902
  876    H    SER 101           H        SER 101  -0.124 -21.520   1.325
  877    HA   SER 101           HA       SER 101   0.416 -22.363  -1.408
  878    HB2  SER 101           HB2      SER 101  -2.177 -22.307   0.191
  879    HB3  SER 101           HB3      SER 101  -1.943 -23.098  -1.376
  880    HG   SER 101           HG       SER 101  -0.784 -23.757   1.125
  881    H    GLU 102           H        GLU 102  -1.163 -19.505  -0.044
  882    HA   GLU 102           HA       GLU 102  -2.083 -18.643  -2.774
  883    HB2  GLU 102           HB2      GLU 102  -3.422 -18.432  -0.080
  884    HB3  GLU 102           HB3      GLU 102  -4.037 -17.631  -1.505
  885    HG2  GLU 102           HG2      GLU 102  -3.697 -20.659  -1.317
  886    HG3  GLU 102           HG3      GLU 102  -5.127 -19.810  -0.786
  887    H    LYS 103           H        LYS 103   0.106 -17.749  -0.486
  888    HA   LYS 103           HA       LYS 103   0.020 -14.961  -0.247
  889    HB2  LYS 103           HB2      LYS 103   1.559 -16.415   0.940
  890    HB3  LYS 103           HB3      LYS 103   2.311 -16.929  -0.568
  891    HG2  LYS 103           HG2      LYS 103   3.204 -14.583  -0.858
  892    HG3  LYS 103           HG3      LYS 103   2.468 -14.172   0.705
  893    HD2  LYS 103           HD2      LYS 103   4.734 -14.687   1.212
  894    HD3  LYS 103           HD3      LYS 103   3.830 -16.129   1.692
  895    HE2  LYS 103           HE2      LYS 103   4.403 -17.066  -0.662
  896    HE3  LYS 103           HE3      LYS 103   5.511 -15.703  -0.817
  897    HZ1  LYS 103           HZ1      LYS 103   6.581 -16.563   1.299
  898    HZ2  LYS 103           HZ2      LYS 103   5.633 -17.918   1.183
  899    HZ3  LYS 103           HZ3      LYS 103   6.718 -17.580   0.023
  900    H    ASP 104           H        ASP 104   0.254 -13.266  -1.567
  901    HA   ASP 104           HA       ASP 104   0.906 -13.661  -4.429
  902    HB2  ASP 104           HB2      ASP 104  -1.116 -12.438  -3.618
  903    HB3  ASP 104           HB3      ASP 104  -0.058 -11.207  -2.910
  904    H    GLU 105           H        GLU 105   2.279 -11.854  -5.423
  905    HA   GLU 105           HA       GLU 105   4.931 -12.337  -4.684
  906    HB2  GLU 105           HB2      GLU 105   3.799 -10.050  -6.352
  907    HB3  GLU 105           HB3      GLU 105   5.496 -10.502  -6.323
  908    HG2  GLU 105           HG2      GLU 105   3.223 -12.316  -7.244
  909    HG3  GLU 105           HG3      GLU 105   4.266 -11.369  -8.297
  910    H    ASP 106           H        ASP 106   2.998  -9.531  -3.690
  911    HA   ASP 106           HA       ASP 106   5.285  -8.181  -2.453
  912    HB2  ASP 106           HB2      ASP 106   3.529  -6.577  -1.615
  913    HB3  ASP 106           HB3      ASP 106   3.754  -6.710  -3.349
  914    H    GLY 107           H        GLY 107   3.616 -10.830  -1.436
  915    HA2  GLY 107           HA2      GLY 107   4.109 -11.976   0.551
  916    HA3  GLY 107           HA3      GLY 107   4.478 -10.465   1.370
  917    H    PHE 108           H        PHE 108   1.625  -9.600   0.049
  918    HA   PHE 108           HA       PHE 108   0.050 -10.368   2.367
  919    HB2  PHE 108           HB2      PHE 108  -0.482  -8.606   0.043
  920    HB3  PHE 108           HB3      PHE 108  -1.843  -9.294   0.868
  921    HD1  PHE 108           HD1      PHE 108   1.258  -7.259   1.550
  922    HD2  PHE 108           HD2      PHE 108  -2.677  -8.439   2.850
  923    HE1  PHE 108           HE1      PHE 108   1.299  -5.514   3.325
  924    HE2  PHE 108           HE2      PHE 108  -2.640  -6.681   4.604
  925    HZ   PHE 108           HZ       PHE 108  -0.632  -5.213   4.836
  926    H    LEU 109           H        LEU 109  -1.792 -11.481   2.590
  927    HA   LEU 109           HA       LEU 109  -2.400 -13.553   0.531
  928    HB2  LEU 109           HB2      LEU 109  -1.856 -14.273   2.834
  929    HB3  LEU 109           HB3      LEU 109  -3.158 -13.272   3.452
  930    HG   LEU 109           HG       LEU 109  -4.833 -14.666   2.235
  931   HD11  LEU 109          HD11      LEU 109  -3.967 -16.925   1.442
  932   HD12  LEU 109          HD12      LEU 109  -3.562 -15.563   0.387
  933   HD13  LEU 109          HD13      LEU 109  -2.331 -16.247   1.478
  934   HD21  LEU 109          HD21      LEU 109  -4.603 -16.649   3.685
  935   HD22  LEU 109          HD22      LEU 109  -2.920 -16.208   4.040
  936   HD23  LEU 109          HD23      LEU 109  -4.244 -15.157   4.581
  937    H    TYR 110           H        TYR 110  -3.874 -12.764  -0.948
  938    HA   TYR 110           HA       TYR 110  -5.900 -10.852  -0.145
  939    HB2  TYR 110           HB2      TYR 110  -5.128 -12.023  -2.750
  940    HB3  TYR 110           HB3      TYR 110  -6.729 -11.348  -2.574
  941    HD1  TYR 110           HD1      TYR 110  -7.126  -9.003  -2.471
  942    HD2  TYR 110           HD2      TYR 110  -3.087 -10.544  -2.433
  943    HE1  TYR 110           HE1      TYR 110  -6.250  -6.745  -3.034
  944    HE2  TYR 110           HE2      TYR 110  -2.222  -8.285  -2.999
  945    HH   TYR 110           HH       TYR 110  -2.833  -6.160  -3.792
  946    H    MET 111           H        MET 111  -7.898 -11.054   0.565
  947    HA   MET 111           HA       MET 111  -9.364 -13.520  -0.182
  948    HB2  MET 111           HB2      MET 111  -9.778 -12.045   2.451
  949    HB3  MET 111           HB3      MET 111 -10.568 -13.514   1.889
  950    HG2  MET 111           HG2      MET 111  -8.326 -14.653   1.858
  951    HG3  MET 111           HG3      MET 111  -7.648 -13.215   2.647
  952    HE1  MET 111           HE1      MET 111  -6.629 -14.666   4.477
  953    HE2  MET 111           HE2      MET 111  -7.512 -15.867   5.439
  954    HE3  MET 111           HE3      MET 111  -7.286 -16.134   3.700
  955    H    VAL 112           H        VAL 112 -11.499 -13.324  -0.739
  956    HA   VAL 112           HA       VAL 112 -12.608 -10.571  -1.100
  957    HB   VAL 112           HB       VAL 112 -12.575 -12.801  -3.164
  958   HG11  VAL 112          HG11      VAL 112 -13.924 -10.078  -3.306
  959   HG12  VAL 112          HG12      VAL 112 -13.741 -11.212  -4.661
  960   HG13  VAL 112          HG13      VAL 112 -14.742 -11.665  -3.290
  961   HG21  VAL 112          HG21      VAL 112 -11.373 -11.149  -4.574
  962   HG22  VAL 112          HG22      VAL 112 -11.349 -10.011  -3.211
  963   HG23  VAL 112          HG23      VAL 112 -10.457 -11.545  -3.112
  964    H    TYR 113           H        TYR 113 -14.945 -10.492  -0.726
  965    HA   TYR 113           HA       TYR 113 -16.197 -13.182  -0.340
  966    HB2  TYR 113           HB2      TYR 113 -17.344 -12.629   1.605
  967    HB3  TYR 113           HB3      TYR 113 -15.676 -12.207   1.908
  968    HD1  TYR 113           HD1      TYR 113 -14.989  -9.752   1.916
  969    HD2  TYR 113           HD2      TYR 113 -19.102 -11.027   1.746
  970    HE1  TYR 113           HE1      TYR 113 -15.714  -7.584   2.928
  971    HE2  TYR 113           HE2      TYR 113 -19.827  -8.843   2.670
  972    HH   TYR 113           HH       TYR 113 -19.152  -6.807   3.555
  973    H    ALA 114           H        ALA 114 -18.394 -13.305  -0.696
  974    HA   ALA 114           HA       ALA 114 -19.772 -11.167  -2.199
  975    HB1  ALA 114           HB1      ALA 114 -18.589 -13.670  -3.486
  976    HB2  ALA 114           HB2      ALA 114 -19.598 -12.466  -4.317
  977    HB3  ALA 114           HB3      ALA 114 -17.992 -12.025  -3.726
  978    H    SER 115           H        SER 115 -21.789 -11.908  -3.144
  979    HA   SER 115           HA       SER 115 -23.388 -13.752  -1.628
  980    HB2  SER 115           HB2      SER 115 -24.310 -11.825  -2.807
  981    HB3  SER 115           HB3      SER 115 -23.749 -12.467  -4.360
  982    HG   SER 115           HG       SER 115 -25.987 -12.920  -3.966
  983    H    GLN 116           H        GLN 116 -21.436 -14.099  -4.536
  984    HA   GLN 116           HA       GLN 116 -21.737 -17.043  -4.537
  985    HB2  GLN 116           HB2      GLN 116 -22.141 -17.123  -6.877
  986    HB3  GLN 116           HB3      GLN 116 -23.365 -16.081  -6.166
  987    HG2  GLN 116           HG2      GLN 116 -20.939 -15.177  -7.775
  988    HG3  GLN 116           HG3      GLN 116 -22.598 -15.248  -8.336
  989   HE21  GLN 116          HE21      GLN 116 -21.412 -12.114  -5.942
  990   HE22  GLN 116          HE22      GLN 116 -20.331 -13.483  -6.294
  991    H    GLU 117           H        GLU 117 -19.885 -18.172  -5.328
  992    HA   GLU 117           HA       GLU 117 -17.405 -16.697  -5.047
  993    HB2  GLU 117           HB2      GLU 117 -16.338 -18.759  -5.023
  994    HB3  GLU 117           HB3      GLU 117 -17.843 -19.027  -4.165
  995    HG2  GLU 117           HG2      GLU 117 -17.225 -19.853  -7.044
  996    HG3  GLU 117           HG3      GLU 117 -17.131 -20.889  -5.642
  997    H    THR 118           H        THR 118 -19.342 -17.377  -7.823
  998    HA   THR 118           HA       THR 118 -17.241 -17.643  -9.820
  999    HB   THR 118           HB       THR 118 -19.332 -16.786 -11.270
 1000    HG1  THR 118           HG1      THR 118 -21.291 -17.330 -10.281
 1001   HG21  THR 118          HG21      THR 118 -19.289 -19.494  -9.876
 1002   HG22  THR 118          HG22      THR 118 -20.180 -19.097 -11.367
 1003   HG23  THR 118          HG23      THR 118 -18.408 -19.054 -11.359
 1004    H    PHE 119           H        PHE 119 -16.568 -16.081 -11.269
 1005    HA   PHE 119           HA       PHE 119 -17.321 -13.281 -10.889
 1006    HB2  PHE 119           HB2      PHE 119 -14.869 -12.611 -11.067
 1007    HB3  PHE 119           HB3      PHE 119 -15.537 -13.140  -9.529
 1008    HD1  PHE 119           HD1      PHE 119 -13.354 -14.202 -12.357
 1009    HD2  PHE 119           HD2      PHE 119 -14.740 -15.088  -8.375
 1010    HE1  PHE 119           HE1      PHE 119 -11.582 -15.927 -12.118
 1011    HE2  PHE 119           HE2      PHE 119 -12.989 -16.822  -8.145
 1012    HZ   PHE 119           HZ       PHE 119 -11.397 -17.240 -10.019
 1013    H    GLY 120           H        GLY 120 -17.198 -11.872 -12.546
 1014    HA2  GLY 120           HA2      GLY 120 -16.894 -13.083 -15.279
 1015    HA3  GLY 120           HA3      GLY 120 -17.966 -11.758 -14.854
 1016    H1   ASP  10           H1       ASP  10 -10.051  -1.876  21.079
 1017    H2   ASP  10           H2       ASP  10 -10.014  -2.737  19.675
 1018    H3   ASP  10           H3       ASP  10  -8.837  -2.944  20.791
 1019    HA   ASP  10           HA       ASP  10  -9.348  -0.436  19.350
 1020    HB2  ASP  10           HB2      ASP  10  -7.153  -1.118  21.322
 1021    HB3  ASP  10           HB3      ASP  10  -7.081   0.262  20.226
 1022    H    TYR  11           H        TYR  11  -7.581   0.320  17.881
 1023    HA   TYR  11           HA       TYR  11  -6.573   0.018  15.947
 1024    HB2  TYR  11           HB2      TYR  11  -4.970  -1.698  17.733
 1025    HB3  TYR  11           HB3      TYR  11  -4.571  -1.649  16.035
 1026    HD1  TYR  11           HD1      TYR  11  -3.913   0.391  14.861
 1027    HD2  TYR  11           HD2      TYR  11  -4.585   0.317  19.135
 1028    HE1  TYR  11           HE1      TYR  11  -2.694   2.553  15.100
 1029    HE2  TYR  11           HE2      TYR  11  -3.367   2.477  19.365
 1030    HH   TYR  11           HH       TYR  11  -2.249   4.166  18.281
 1031    H    GLU  12           H        GLU  12  -8.935  -1.001  15.572
 1032    HA   GLU  12           HA       GLU  12  -8.684  -3.376  13.864
 1033    HB2  GLU  12           HB2      GLU  12 -11.043  -2.993  13.354
 1034    HB3  GLU  12           HB3      GLU  12 -10.762  -2.993  15.096
 1035    HG2  GLU  12           HG2      GLU  12 -10.981  -0.630  15.278
 1036    HG3  GLU  12           HG3      GLU  12 -10.797  -0.385  13.541
 1037    H    SER  13           H        SER  13  -7.085  -0.849  13.221
 1038    HA   SER  13           HA       SER  13  -7.099  -1.515  10.418
 1039    HB2  SER  13           HB2      SER  13  -9.049   0.259  10.824
 1040    HB3  SER  13           HB3      SER  13  -7.698   1.403  10.870
 1041    HG   SER  13           HG       SER  13  -8.493  -0.402   8.794
 1042    H    ASP  14           H        ASP  14  -5.796  -0.109   9.219
 1043    HA   ASP  14           HA       ASP  14  -3.941   0.955   8.543
 1044    HB2  ASP  14           HB2      ASP  14  -4.244   2.427  11.112
 1045    HB3  ASP  14           HB3      ASP  14  -2.940   2.775   9.995
 1046    H    ASP  15           H        ASP  15  -2.061   1.306  11.387
 1047    HA   ASP  15           HA       ASP  15  -0.286  -0.905  10.859
 1048    HB2  ASP  15           HB2      ASP  15   1.617   0.517  10.027
 1049    HB3  ASP  15           HB3      ASP  15   0.322   0.222   8.892
 1050    H    ASP  16           H        ASP  16   1.761  -0.794  12.014
 1051    HA   ASP  16           HA       ASP  16   3.027  -0.641  13.804
 1052    HB2  ASP  16           HB2      ASP  16   3.859   1.272  12.925
 1053    HB3  ASP  16           HB3      ASP  16   2.436   2.224  13.329
 1054    H    SER  17           H        SER  17   2.781  -1.708  15.604
 1055    HA   SER  17           HA       SER  17   1.942  -2.466  17.565
 1056    HB2  SER  17           HB2      SER  17   1.559   0.481  18.212
 1057    HB3  SER  17           HB3      SER  17   1.516  -0.859  19.365
 1058    HG   SER  17           HG       SER  17   3.724  -0.066  17.744
 1059    H    TYR  18           H        TYR  18   0.295  -3.053  15.766
 1060    HA   TYR  18           HA       TYR  18  -2.475  -2.288  16.581
 1061    HB2  TYR  18           HB2      TYR  18  -2.996  -1.595  14.392
 1062    HB3  TYR  18           HB3      TYR  18  -1.452  -0.836  14.668
 1063    HD1  TYR  18           HD1      TYR  18   0.601  -2.762  13.879
 1064    HD2  TYR  18           HD2      TYR  18  -3.321  -2.091  12.257
 1065    HE1  TYR  18           HE1      TYR  18   1.321  -3.824  11.750
 1066    HE2  TYR  18           HE2      TYR  18  -2.601  -3.141  10.105
 1067    HH   TYR  18           HH       TYR  18  -0.899  -4.215   8.974
 1068    H    GLU  19           H        GLU  19  -4.109  -3.765  15.642
 1069    HA   GLU  19           HA       GLU  19  -3.051  -6.558  15.240
 1070    HB2  GLU  19           HB2      GLU  19  -5.399  -5.669  16.954
 1071    HB3  GLU  19           HB3      GLU  19  -4.841  -7.321  16.737
 1072    HG2  GLU  19           HG2      GLU  19  -3.333  -5.059  18.111
 1073    HG3  GLU  19           HG3      GLU  19  -4.124  -6.425  18.881
 1074    H    VAL  20           H        VAL  20  -5.624  -4.305  14.314
 1075    HA   VAL  20           HA       VAL  20  -7.185  -4.315  12.814
 1076    HB   VAL  20           HB       VAL  20  -5.918  -6.410  11.125
 1077   HG11  VAL  20          HG11      VAL  20  -7.388  -3.790  10.573
 1078   HG12  VAL  20          HG12      VAL  20  -6.716  -4.862   9.345
 1079   HG13  VAL  20          HG13      VAL  20  -8.065  -5.410  10.364
 1080   HG21  VAL  20          HG21      VAL  20  -5.044  -3.514  11.430
 1081   HG22  VAL  20          HG22      VAL  20  -4.067  -4.943  11.838
 1082   HG23  VAL  20          HG23      VAL  20  -4.510  -4.633  10.154
 1083    H    LEU  21           H        LEU  21  -6.653  -7.830  13.126
 1084    HA   LEU  21           HA       LEU  21  -9.586  -8.422  13.138
 1085    HB2  LEU  21           HB2      LEU  21  -7.805  -9.831  11.945
 1086    HB3  LEU  21           HB3      LEU  21  -7.175 -10.225  13.536
 1087    HG   LEU  21           HG       LEU  21  -9.611 -11.099  14.031
 1088   HD11  LEU  21          HD11      LEU  21 -10.713 -10.188  12.022
 1089   HD12  LEU  21          HD12      LEU  21  -9.571 -11.051  10.967
 1090   HD13  LEU  21          HD13      LEU  21 -10.730 -11.954  11.951
 1091   HD21  LEU  21          HD21      LEU  21  -7.814 -12.528  12.028
 1092   HD22  LEU  21          HD22      LEU  21  -7.627 -12.553  13.798
 1093   HD23  LEU  21          HD23      LEU  21  -9.056 -13.293  13.053
 1094    H    ASP  22           H        ASP  22  -9.478  -6.708  14.937
 1095    HA   ASP  22           HA       ASP  22  -8.132  -6.923  17.294
 1096    HB2  ASP  22           HB2      ASP  22  -9.209  -4.929  16.658
 1097    HB3  ASP  22           HB3      ASP  22 -10.793  -5.682  16.681
 1098    H    LEU  23           H        LEU  23  -7.843  -8.593  18.510
 1099    HA   LEU  23           HA       LEU  23 -10.009 -10.010  19.937
 1100    HB2  LEU  23           HB2      LEU  23  -7.945 -11.242  18.050
 1101    HB3  LEU  23           HB3      LEU  23  -8.750 -12.184  19.293
 1102    HG   LEU  23           HG       LEU  23 -10.237 -10.809  17.023
 1103   HD11  LEU  23          HD11      LEU  23  -9.413 -13.734  17.370
 1104   HD12  LEU  23          HD12      LEU  23 -10.420 -13.073  16.063
 1105   HD13  LEU  23          HD13      LEU  23  -8.723 -12.594  16.202
 1106   HD21  LEU  23          HD21      LEU  23 -11.653 -11.207  18.999
 1107   HD22  LEU  23          HD22      LEU  23 -12.070 -12.334  17.711
 1108   HD23  LEU  23          HD23      LEU  23 -11.094 -12.898  19.082
 1109    H    THR  24           H        THR  24  -9.207 -11.219  21.772
 1110    HA   THR  24           HA       THR  24  -6.979 -10.093  23.098
 1111    HB   THR  24           HB       THR  24  -8.004 -12.663  24.151
 1112    HG1  THR  24           HG1      THR  24  -9.922 -11.710  24.810
 1113   HG21  THR  24          HG21      THR  24  -8.091 -11.366  26.244
 1114   HG22  THR  24          HG22      THR  24  -6.499 -11.200  25.497
 1115   HG23  THR  24          HG23      THR  24  -7.674  -9.875  25.367
 1116    H    GLU  25           H        GLU  25  -6.717 -12.303  20.684
 1117    HA   GLU  25           HA       GLU  25  -4.408 -13.821  21.648
 1118    HB2  GLU  25           HB2      GLU  25  -5.574 -13.472  18.856
 1119    HB3  GLU  25           HB3      GLU  25  -4.293 -14.600  19.282
 1120    HG2  GLU  25           HG2      GLU  25  -7.161 -14.654  20.316
 1121    HG3  GLU  25           HG3      GLU  25  -6.481 -15.689  19.074
 1122    H    TYR  26           H        TYR  26  -3.470 -11.684  22.408
 1123    HA   TYR  26           HA       TYR  26  -2.296  -9.880  20.566
 1124    HB2  TYR  26           HB2      TYR  26  -1.861 -10.304  23.498
 1125    HB3  TYR  26           HB3      TYR  26  -0.949  -9.129  22.568
 1126    HD1  TYR  26           HD1      TYR  26  -4.049  -9.723  24.296
 1127    HD2  TYR  26           HD2      TYR  26  -2.205  -7.349  21.204
 1128    HE1  TYR  26           HE1      TYR  26  -5.877  -8.035  24.498
 1129    HE2  TYR  26           HE2      TYR  26  -4.029  -5.665  21.401
 1130    HH   TYR  26           HH       TYR  26  -5.969  -5.057  22.502