*HEADER    CHAPERONE                               07-FEB-07   2OT2              
*TITLE     SOLUTION STRUCTURE OF HYPC                                            
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HYDROGENASE ISOENZYMES FORMATION PROTEIN HYPC;             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;                               
*SOURCE   3 ORGANISM_COMMON: BACTERIA;                                           
*SOURCE   4 STRAIN: K-12;                                                        
*SOURCE   5 GENE: HYPC;                                                          
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET21A                                    
*KEYWDS    BETA BARREL, CHAPERONE                                                
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    L.WANG, C.JIN                                                         
*REVDAT   1   04-SEP-07 2OT2    0                                                


# 1341 atoms read from pdb file prm1.pdb.
# 5 VAL PHI:  (4 GLY C)-(5 VAL N)-(5 VAL CA)-(5 VAL C) -147.9 -88.0
 &rst     iat =    55,    57,    59,    71,
   r1 = -148.9, r2 = -147.9, r3 = -88.0, r4 = -87.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 5 VAL PSI:  (5 VAL N)-(5 VAL CA)-(5 VAL C)-(6 PRO N) 109.5 169.5
 &rst     iat =    57,    59,    71,    73,
   r1 = 108.5, r2 = 109.5, r3 = 169.5, r4 = 170.5,
 &end

# 8 GLN PHI:  (7 GLY C)-(8 GLN N)-(8 GLN CA)-(8 GLN C) -116.0 -56.0
 &rst     iat =    92,    94,    96,   109,
   r1 = -117.0, r2 = -116.0, r3 = -56.0, r4 = -55.0,
 &end

# 8 GLN PSI:  (8 GLN N)-(8 GLN CA)-(8 GLN C)-(9 ILE N) 125.1 185.1
 &rst     iat =    94,    96,   109,   111,
   r1 = 124.1, r2 = 125.1, r3 = 185.1, r4 = 186.1,
 &end

# 10 ARG PHI:  (9 ILE C)-(10 ARG N)-(10 ARG CA)-(10 ARG C) -120.5 -60.5
 &rst     iat =   128,   130,   132,   152,
   r1 = -121.5, r2 = -120.5, r3 = -60.5, r4 = -59.5,
 &end

# 10 ARG PSI:  (10 ARG N)-(10 ARG CA)-(10 ARG C)-(11 THR N) -62.0  -2.0
 &rst     iat =   130,   132,   152,   154,
   r1 = -63.0, r2 = -62.0, r3 =  -2.0, r4 =  -1.0,
 &end

# 12 ILE PHI:  (11 THR C)-(12 ILE N)-(12 ILE CA)-(12 ILE C) -132.3 -72.3
 &rst     iat =   166,   168,   170,   185,
   r1 = -133.3, r2 = -132.3, r3 = -72.3, r4 = -71.3,
 &end

# 12 ILE PSI:  (12 ILE N)-(12 ILE CA)-(12 ILE C)-(13 ASP N) 104.7 164.7
 &rst     iat =   168,   170,   185,   187,
   r1 = 103.7, r2 = 104.7, r3 = 164.7, r4 = 165.7,
 &end

# 16 GLN PHI:  (15 ASN C)-(16 GLN N)-(16 GLN CA)-(16 GLN C) -139.8 -79.8
 &rst     iat =   218,   220,   222,   235,
   r1 = -140.8, r2 = -139.8, r3 = -79.8, r4 = -78.8,
 &end

# 16 GLN PSI:  (16 GLN N)-(16 GLN CA)-(16 GLN C)-(17 ALA N) 110.7 170.7
 &rst     iat =   220,   222,   235,   237,
   r1 = 109.7, r2 = 110.7, r3 = 170.7, r4 = 171.7,
 &end

# 17 ALA PHI:  (16 GLN C)-(17 ALA N)-(17 ALA CA)-(17 ALA C) -155.9 -95.9
 &rst     iat =   235,   237,   239,   245,
   r1 = -156.9, r2 = -155.9, r3 = -95.9, r4 = -94.9,
 &end

# 17 ALA PSI:  (17 ALA N)-(17 ALA CA)-(17 ALA C)-(18 LYS N) 121.1 181.1
 &rst     iat =   237,   239,   245,   247,
   r1 = 120.1, r2 = 121.1, r3 = 181.1, r4 = 182.1,
 &end

# 19 VAL PHI:  (18 LYS C)-(19 VAL N)-(19 VAL CA)-(19 VAL C) -129.4 -69.5
 &rst     iat =   267,   269,   271,   283,
   r1 = -130.4, r2 = -129.4, r3 = -69.5, r4 = -68.5,
 &end

# 19 VAL PSI:  (19 VAL N)-(19 VAL CA)-(19 VAL C)-(20 ASP N) 124.3 184.3
 &rst     iat =   269,   271,   283,   285,
   r1 = 123.3, r2 = 124.3, r3 = 184.3, r4 = 185.3,
 &end

# 20 ASP PHI:  (19 VAL C)-(20 ASP N)-(20 ASP CA)-(20 ASP C) -112.7 -52.7
 &rst     iat =   283,   285,   287,   295,
   r1 = -113.7, r2 = -112.7, r3 = -52.7, r4 = -51.7,
 &end

# 20 ASP PSI:  (20 ASP N)-(20 ASP CA)-(20 ASP C)-(21 VAL N)  97.6 157.6
 &rst     iat =   285,   287,   295,   297,
   r1 =  96.6, r2 =  97.6, r3 = 157.6, r4 = 158.6,
 &end

# 25 GLN PHI:  (24 ILE C)-(25 GLN N)-(25 GLN CA)-(25 GLN C) -113.3 -53.3
 &rst     iat =   348,   350,   352,   365,
   r1 = -114.3, r2 = -113.3, r3 = -53.3, r4 = -52.3,
 &end

# 25 GLN PSI:  (25 GLN N)-(25 GLN CA)-(25 GLN C)-(26 ARG N) 104.7 164.7
 &rst     iat =   350,   352,   365,   367,
   r1 = 103.7, r2 = 104.7, r3 = 164.7, r4 = 165.7,
 &end

# 26 ARG PHI:  (25 GLN C)-(26 ARG N)-(26 ARG CA)-(26 ARG C) -142.9 -82.9
 &rst     iat =   365,   367,   369,   389,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end

# 26 ARG PSI:  (26 ARG N)-(26 ARG CA)-(26 ARG C)-(27 ASP N) 119.6 179.6
 &rst     iat =   367,   369,   389,   391,
   r1 = 118.6, r2 = 119.6, r3 = 179.6, r4 = 180.6,
 &end

# 27 ASP PHI:  (26 ARG C)-(27 ASP N)-(27 ASP CA)-(27 ASP C) -121.5 -61.5
 &rst     iat =   389,   391,   393,   401,
   r1 = -122.5, r2 = -121.5, r3 = -61.5, r4 = -60.5,
 &end

# 27 ASP PSI:  (27 ASP N)-(27 ASP CA)-(27 ASP C)-(28 VAL N) 105.1 165.1
 &rst     iat =   391,   393,   401,   403,
   r1 = 104.1, r2 = 105.1, r3 = 165.1, r4 = 166.1,
 &end

# 28 VAL PHI:  (27 ASP C)-(28 VAL N)-(28 VAL CA)-(28 VAL C) -148.5 -88.5
 &rst     iat =   401,   403,   405,   417,
   r1 = -149.5, r2 = -148.5, r3 = -88.5, r4 = -87.5,
 &end

# 28 VAL PSI:  (28 VAL N)-(28 VAL CA)-(28 VAL C)-(29 ASP N) 112.2 172.2
 &rst     iat =   403,   405,   417,   419,
   r1 = 111.2, r2 = 112.2, r3 = 172.2, r4 = 173.2,
 &end

# 29 ASP PHI:  (28 VAL C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -112.6 -52.6
 &rst     iat =   417,   419,   421,   429,
   r1 = -113.6, r2 = -112.6, r3 = -52.6, r4 = -51.6,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 LEU N) 105.1 165.1
 &rst     iat =   419,   421,   429,   431,
   r1 = 104.1, r2 = 105.1, r3 = 165.1, r4 = 166.1,
 &end

# 48 VAL PHI:  (47 TRP C)-(48 VAL N)-(48 VAL CA)-(48 VAL C) -166.4 -106.4
 &rst     iat =   693,   695,   697,   709,
   r1 = -167.4, r2 = -166.4, r3 = -106.4, r4 = -105.4,
 &end

# 48 VAL PSI:  (48 VAL N)-(48 VAL CA)-(48 VAL C)-(49 LEU N) 131.0 191.0
 &rst     iat =   695,   697,   709,   711,
   r1 = 130.0, r2 = 131.0, r3 = 191.0, r4 = 192.0,
 &end

# 49 LEU PHI:  (48 VAL C)-(49 LEU N)-(49 LEU CA)-(49 LEU C) -126.1 -66.1
 &rst     iat =   709,   711,   713,   728,
   r1 = -127.1, r2 = -126.1, r3 = -66.1, r4 = -65.1,
 &end

# 49 LEU PSI:  (49 LEU N)-(49 LEU CA)-(49 LEU C)-(50 VAL N) 100.5 160.5
 &rst     iat =   711,   713,   728,   730,
   r1 =  99.5, r2 = 100.5, r3 = 160.5, r4 = 161.5,
 &end

# 50 VAL PHI:  (49 LEU C)-(50 VAL N)-(50 VAL CA)-(50 VAL C) -132.0 -72.0
 &rst     iat =   728,   730,   732,   744,
   r1 = -133.0, r2 = -132.0, r3 = -72.0, r4 = -71.0,
 &end

# 50 VAL PSI:  (50 VAL N)-(50 VAL CA)-(50 VAL C)-(51 HIS N)  97.2 157.2
 &rst     iat =   730,   732,   744,   746,
   r1 =  96.2, r2 =  97.2, r3 = 157.2, r4 = 158.2,
 &end

# 55 ALA PHI:  (54 PHE C)-(55 ALA N)-(55 ALA CA)-(55 ALA C) -120.8 -60.8
 &rst     iat =   804,   806,   808,   814,
   r1 = -121.8, r2 = -120.8, r3 = -60.8, r4 = -59.8,
 &end

# 55 ALA PSI:  (55 ALA N)-(55 ALA CA)-(55 ALA C)-(56 MET N) 105.8 165.8
 &rst     iat =   806,   808,   814,   816,
   r1 = 104.8, r2 = 105.8, r3 = 165.8, r4 = 166.8,
 &end

# 56 MET PHI:  (55 ALA C)-(56 MET N)-(56 MET CA)-(56 MET C) -90.6 -30.6
 &rst     iat =   814,   816,   818,   831,
   r1 = -91.6, r2 = -90.6, r3 = -30.6, r4 = -29.6,
 &end

# 56 MET PSI:  (56 MET N)-(56 MET CA)-(56 MET C)-(57 SER N) -59.6   0.4
 &rst     iat =   816,   818,   831,   833,
   r1 = -60.6, r2 = -59.6, r3 =   0.4, r4 =   1.4,
 &end

# 58 VAL PHI:  (57 SER C)-(58 VAL N)-(58 VAL CA)-(58 VAL C) -129.2 -69.2
 &rst     iat =   842,   844,   846,   858,
   r1 = -130.2, r2 = -129.2, r3 = -69.2, r4 = -68.2,
 &end

# 58 VAL PSI:  (58 VAL N)-(58 VAL CA)-(58 VAL C)-(59 ILE N)  95.5 155.5
 &rst     iat =   844,   846,   858,   860,
   r1 =  94.5, r2 =  95.5, r3 = 155.5, r4 = 156.5,
 &end

# 59 ILE PHI:  (58 VAL C)-(59 ILE N)-(59 ILE CA)-(59 ILE C) -137.7 -77.7
 &rst     iat =   858,   860,   862,   877,
   r1 = -138.7, r2 = -137.7, r3 = -77.7, r4 = -76.7,
 &end

# 59 ILE PSI:  (59 ILE N)-(59 ILE CA)-(59 ILE C)-(60 ASN N) 132.8 192.8
 &rst     iat =   860,   862,   877,   879,
   r1 = 131.8, r2 = 132.8, r3 = 192.8, r4 = 193.8,
 &end

# 61 GLU PHI:  (60 ASN C)-(61 GLU N)-(61 GLU CA)-(61 GLU C) -90.3 -30.3
 &rst     iat =   891,   893,   895,   906,
   r1 = -91.3, r2 = -90.3, r3 = -30.3, r4 = -29.3,
 &end

# 61 GLU PSI:  (61 GLU N)-(61 GLU CA)-(61 GLU C)-(62 ALA N) -69.6  -9.6
 &rst     iat =   893,   895,   906,   908,
   r1 = -70.6, r2 = -69.6, r3 =  -9.6, r4 =  -8.6,
 &end

# 62 ALA PHI:  (61 GLU C)-(62 ALA N)-(62 ALA CA)-(62 ALA C) -93.4 -33.4
 &rst     iat =   906,   908,   910,   916,
   r1 = -94.4, r2 = -93.4, r3 = -33.4, r4 = -32.4,
 &end

# 62 ALA PSI:  (62 ALA N)-(62 ALA CA)-(62 ALA C)-(63 GLU N) -68.1  -8.1
 &rst     iat =   908,   910,   916,   918,
   r1 = -69.1, r2 = -68.1, r3 =  -8.1, r4 =  -7.1,
 &end

# 63 GLU PHI:  (62 ALA C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -95.0 -35.0
 &rst     iat =   916,   918,   920,   931,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 ALA N) -72.7 -12.6
 &rst     iat =   918,   920,   931,   933,
   r1 = -73.7, r2 = -72.7, r3 = -12.6, r4 = -11.6,
 &end

# 64 ALA PHI:  (63 GLU C)-(64 ALA N)-(64 ALA CA)-(64 ALA C) -94.0 -34.0
 &rst     iat =   931,   933,   935,   941,
   r1 = -95.0, r2 = -94.0, r3 = -34.0, r4 = -33.0,
 &end

# 64 ALA PSI:  (64 ALA N)-(64 ALA CA)-(64 ALA C)-(65 ARG N) -71.9 -11.9
 &rst     iat =   933,   935,   941,   943,
   r1 = -72.9, r2 = -71.9, r3 = -11.9, r4 = -10.9,
 &end

# 65 ARG PHI:  (64 ALA C)-(65 ARG N)-(65 ARG CA)-(65 ARG C) -95.0 -35.0
 &rst     iat =   941,   943,   945,   965,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 65 ARG PSI:  (65 ARG N)-(65 ARG CA)-(65 ARG C)-(66 ASP N) -67.7  -7.7
 &rst     iat =   943,   945,   965,   967,
   r1 = -68.7, r2 = -67.7, r3 =  -7.7, r4 =  -6.7,
 &end

# 66 ASP PHI:  (65 ARG C)-(66 ASP N)-(66 ASP CA)-(66 ASP C) -95.3 -35.3
 &rst     iat =   965,   967,   969,   977,
   r1 = -96.3, r2 = -95.3, r3 = -35.3, r4 = -34.3,
 &end

# 66 ASP PSI:  (66 ASP N)-(66 ASP CA)-(66 ASP C)-(67 THR N) -69.7  -9.6
 &rst     iat =   967,   969,   977,   979,
   r1 = -70.7, r2 = -69.7, r3 =  -9.6, r4 =  -8.6,
 &end

# 67 THR PHI:  (66 ASP C)-(67 THR N)-(67 THR CA)-(67 THR C) -95.7 -35.7
 &rst     iat =   977,   979,   981,   991,
   r1 = -96.7, r2 = -95.7, r3 = -35.7, r4 = -34.7,
 &end

# 67 THR PSI:  (67 THR N)-(67 THR CA)-(67 THR C)-(68 LEU N) -77.2 -17.2
 &rst     iat =   979,   981,   991,   993,
   r1 = -78.2, r2 = -77.2, r3 = -17.2, r4 = -16.2,
 &end

# 68 LEU PHI:  (67 THR C)-(68 LEU N)-(68 LEU CA)-(68 LEU C) -94.4 -34.4
 &rst     iat =   991,   993,   995,  1010,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 68 LEU PSI:  (68 LEU N)-(68 LEU CA)-(68 LEU C)-(69 ASP N) -72.8 -12.8
 &rst     iat =   993,   995,  1010,  1012,
   r1 = -73.8, r2 = -72.8, r3 = -12.8, r4 = -11.8,
 &end

# 69 ASP PHI:  (68 LEU C)-(69 ASP N)-(69 ASP CA)-(69 ASP C) -94.7 -34.7
 &rst     iat =  1010,  1012,  1014,  1022,
   r1 = -95.7, r2 = -94.7, r3 = -34.7, r4 = -33.7,
 &end

# 69 ASP PSI:  (69 ASP N)-(69 ASP CA)-(69 ASP C)-(70 ALA N) -69.2  -9.2
 &rst     iat =  1012,  1014,  1022,  1024,
   r1 = -70.2, r2 = -69.2, r3 =  -9.2, r4 =  -8.2,
 &end

# 70 ALA PHI:  (69 ASP C)-(70 ALA N)-(70 ALA CA)-(70 ALA C) -93.2 -33.2
 &rst     iat =  1022,  1024,  1026,  1032,
   r1 = -94.2, r2 = -93.2, r3 = -33.2, r4 = -32.2,
 &end

# 70 ALA PSI:  (70 ALA N)-(70 ALA CA)-(70 ALA C)-(71 LEU N) -71.4 -11.4
 &rst     iat =  1024,  1026,  1032,  1034,
   r1 = -72.4, r2 = -71.4, r3 = -11.4, r4 = -10.4,
 &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., rk3=150.,  &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 SG HB2 HB3
 &rst iat=22,27,25,26, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,29,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG2 CG1 HB
 &rst iat=33,37,41,36, &end
#
#  chirality for residue 3 atoms:  CB CD1 HG12 HG13
 &rst iat=35,44,42,43, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=31,48,34,35, &end
#
#  chirality for residue 4 atoms:  N C HA2 HA3
 &rst iat=50,55,53,54, &end
#
#  chirality for residue 5 atoms:  CA CG1 CG2 HB
 &rst iat=59,63,67,62, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=57,71,60,61, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=83,77,81,82, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=80,74,78,79, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=77,73,75,76, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=73,85,84,80, &end
#
#  chirality for residue 7 atoms:  N C HA2 HA3
 &rst iat=87,92,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=96,101,99,100, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=98,104,102,103, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=94,109,97,98, &end
#
#  chirality for residue 9 atoms:  CA CG2 CG1 HB
 &rst iat=113,117,121,116, &end
#
#  chirality for residue 9 atoms:  CB CD1 HG12 HG13
 &rst iat=115,124,122,123, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=111,128,114,115, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=132,137,135,136, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 10 atoms:  CG NE HD2 HD3
 &rst iat=137,143,141,142, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=130,152,133,134, &end
#
#  chirality for residue 11 atoms:  CA CG2 OG1 HB
 &rst iat=156,160,164,159, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=154,166,157,158, &end
#
#  chirality for residue 12 atoms:  CA CG2 CG1 HB
 &rst iat=170,174,178,173, &end
#
#  chirality for residue 12 atoms:  CB CD1 HG12 HG13
 &rst iat=172,181,179,180, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=168,185,171,172, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,197,190,191, &end
#
#  chirality for residue 14 atoms:  N C HA2 HA3
 &rst iat=199,204,202,203, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=208,213,211,212, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=206,218,209,210, &end
#
#  chirality for residue 16 atoms:  CA CG HB2 HB3
 &rst iat=222,227,225,226, &end
#
#  chirality for residue 16 atoms:  CB CD HG2 HG3
 &rst iat=224,230,228,229, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=220,235,223,224, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=237,245,240,241, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=249,254,252,253, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=251,257,255,256, &end
#
#  chirality for residue 18 atoms:  CD NZ HE2 HE3
 &rst iat=257,263,261,262, &end
#
#  chirality for residue 18 atoms:  CG CE HD2 HD3
 &rst iat=254,260,258,259, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=247,267,250,251, &end
#
#  chirality for residue 19 atoms:  CA CG1 CG2 HB
 &rst iat=271,275,279,274, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=269,283,272,273, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=287,292,290,291, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=285,295,288,289, &end
#
#  chirality for residue 21 atoms:  CA CG1 CG2 HB
 &rst iat=299,303,307,302, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=297,311,300,301, &end
#
#  chirality for residue 22 atoms:  CA SG HB2 HB3
 &rst iat=315,320,318,319, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=313,322,316,317, &end
#
#  chirality for residue 23 atoms:  N C HA2 HA3
 &rst iat=324,329,327,328, &end
#
#  chirality for residue 24 atoms:  CA CG2 CG1 HB
 &rst iat=333,337,341,336, &end
#
#  chirality for residue 24 atoms:  CB CD1 HG12 HG13
 &rst iat=335,344,342,343, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=331,348,334,335, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=352,357,355,356, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=354,360,358,359, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=350,365,353,354, &end
#
#  chirality for residue 26 atoms:  CA CG HB2 HB3
 &rst iat=369,374,372,373, &end
#
#  chirality for residue 26 atoms:  CB CD HG2 HG3
 &rst iat=371,377,375,376, &end
#
#  chirality for residue 26 atoms:  CG NE HD2 HD3
 &rst iat=374,380,378,379, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=367,389,370,371, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=393,398,396,397, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=391,401,394,395, &end
#
#  chirality for residue 28 atoms:  CA CG1 CG2 HB
 &rst iat=405,409,413,408, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=403,417,406,407, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=421,426,424,425, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=419,429,422,423, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=433,438,436,437, &end
#
#  chirality for residue 30 atoms:  CB CD1 CD2 HG
 &rst iat=435,440,444,439, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=431,448,434,435, &end
#
#  chirality for residue 31 atoms:  CA CG2 OG1 HB
 &rst iat=452,456,460,455, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=450,462,453,454, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=466,471,469,470, &end
#
#  chirality for residue 32 atoms:  CB CD1 CD2 HG
 &rst iat=468,473,477,472, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=464,481,467,468, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=485,489,493,488, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=483,497,486,487, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=499,504,502,503, &end
#
#  chirality for residue 35 atoms:  CA OG HB2 HB3
 &rst iat=508,513,511,512, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=506,515,509,510, &end
#
#  chirality for residue 36 atoms:  CA SG HB2 HB3
 &rst iat=519,524,522,523, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=517,526,520,521, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=530,535,533,534, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=528,538,531,532, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=542,547,545,546, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=544,550,548,549, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=540,553,543,544, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=557,562,560,561, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=555,567,558,559, &end
#
#  chirality for residue 40 atoms:  N C HA2 HA3
 &rst iat=569,574,572,573, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=578,583,581,582, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=580,586,584,585, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=576,591,579,580, &end
#
#  chirality for residue 42 atoms:  CA CG HB2 HB3
 &rst iat=603,597,601,602, &end
#
#  chirality for residue 42 atoms:  CB CD HG2 HG3
 &rst iat=600,594,598,599, &end
#
#  chirality for residue 42 atoms:  CG N HD2 HD3
 &rst iat=597,593,595,596, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=593,605,604,600, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=609,614,612,613, &end
#
#  chirality for residue 43 atoms:  CB CD HG2 HG3
 &rst iat=611,617,615,616, &end
#
#  chirality for residue 43 atoms:  CG NE HD2 HD3
 &rst iat=614,620,618,619, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=607,629,610,611, &end
#
#  chirality for residue 44 atoms:  CA CG1 CG2 HB
 &rst iat=633,637,641,636, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=631,645,634,635, &end
#
#  chirality for residue 45 atoms:  N C HA2 HA3
 &rst iat=647,652,650,651, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=656,661,659,660, &end
#
#  chirality for residue 46 atoms:  CB CD HG2 HG3
 &rst iat=658,664,662,663, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=654,669,657,658, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=673,678,676,677, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=671,693,674,675, &end
#
#  chirality for residue 48 atoms:  CA CG1 CG2 HB
 &rst iat=697,701,705,700, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=695,709,698,699, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=713,718,716,717, &end
#
#  chirality for residue 49 atoms:  CB CD1 CD2 HG
 &rst iat=715,720,724,719, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=711,728,714,715, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=732,736,740,735, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=730,744,733,734, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=748,753,751,752, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=746,761,749,750, &end
#
#  chirality for residue 52 atoms:  CA CG1 CG2 HB
 &rst iat=765,769,773,768, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=763,777,766,767, &end
#
#  chirality for residue 53 atoms:  N C HA2 HA3
 &rst iat=779,784,782,783, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=788,793,791,792, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=786,804,789,790, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=806,814,809,810, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=818,823,821,822, &end
#
#  chirality for residue 56 atoms:  CB SD HG2 HG3
 &rst iat=820,826,824,825, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=816,831,819,820, &end
#
#  chirality for residue 57 atoms:  CA OG HB2 HB3
 &rst iat=835,840,838,839, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=833,842,836,837, &end
#
#  chirality for residue 58 atoms:  CA CG1 CG2 HB
 &rst iat=846,850,854,849, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=844,858,847,848, &end
#
#  chirality for residue 59 atoms:  CA CG2 CG1 HB
 &rst iat=862,866,870,865, &end
#
#  chirality for residue 59 atoms:  CB CD1 HG12 HG13
 &rst iat=864,873,871,872, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=860,877,863,864, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=881,886,884,885, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=879,891,882,883, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=895,900,898,899, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=897,903,901,902, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=893,906,896,897, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=908,916,911,912, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=920,925,923,924, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=922,928,926,927, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=918,931,921,922, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=933,941,936,937, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=945,950,948,949, &end
#
#  chirality for residue 65 atoms:  CB CD HG2 HG3
 &rst iat=947,953,951,952, &end
#
#  chirality for residue 65 atoms:  CG NE HD2 HD3
 &rst iat=950,956,954,955, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=943,965,946,947, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=969,974,972,973, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=967,977,970,971, &end
#
#  chirality for residue 67 atoms:  CA CG2 OG1 HB
 &rst iat=981,985,989,984, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=979,991,982,983, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=995,1000,998,999, &end
#
#  chirality for residue 68 atoms:  CB CD1 CD2 HG
 &rst iat=997,1002,1006,1001, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=993,1010,996,997, &end
#
#  chirality for residue 69 atoms:  CA CG HB2 HB3
 &rst iat=1014,1019,1017,1018, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1012,1022,1015,1016, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1024,1032,1027,1028, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1036,1041,1039,1040, &end
#
#  chirality for residue 71 atoms:  CB CD1 CD2 HG
 &rst iat=1038,1043,1047,1042, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1034,1051,1037,1038, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1055,1060,1058,1059, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1057,1063,1061,1062, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1053,1068,1056,1057, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1072,1077,1075,1076, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1070,1082,1073,1074, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1086,1091,1089,1090, &end
#
#  chirality for residue 74 atoms:  CB SD HG2 HG3
 &rst iat=1088,1094,1092,1093, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1084,1099,1087,1088, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1103,1108,1106,1107, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1101,1119,1104,1105, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1123,1128,1126,1127, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1121,1131,1124,1125, &end
#
#  chirality for residue 77 atoms:  CA CG1 CG2 HB
 &rst iat=1135,1139,1143,1138, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1133,1147,1136,1137, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1151,1156,1154,1155, &end
#
#  chirality for residue 78 atoms:  CB CD HG2 HG3
 &rst iat=1153,1159,1157,1158, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1149,1162,1152,1153, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1174,1168,1172,1173, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1171,1165,1169,1170, &end
#
#  chirality for residue 79 atoms:  CG N HD2 HD3
 &rst iat=1168,1164,1166,1167, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1164,1176,1175,1171, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1180,1185,1183,1184, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1178,1188,1181,1182, &end
#
#  chirality for residue 81 atoms:  CA CG1 CG2 HB
 &rst iat=1192,1196,1200,1195, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1190,1204,1193,1194, &end
#
#  chirality for residue 82 atoms:  N C HA2 HA3
 &rst iat=1206,1211,1209,1210, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1213,1221,1216,1217, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1225,1230,1228,1229, &end
#
#  chirality for residue 84 atoms:  CB CD1 CD2 HG
 &rst iat=1227,1232,1236,1231, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1223,1240,1226,1227, &end
#
#  chirality for residue 85 atoms:  CA CG HB2 HB3
 &rst iat=1244,1249,1247,1248, &end
#
#  chirality for residue 85 atoms:  CB CD1 CD2 HG
 &rst iat=1246,1251,1255,1250, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1242,1259,1245,1246, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1263,1268,1266,1267, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1261,1280,1264,1265, &end
#
#  chirality for residue 87 atoms:  N C HA2 HA3
 &rst iat=1282,1287,1285,1286, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1291,1296,1294,1295, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1293,1299,1297,1298, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1289,1302,1292,1293, &end
#
#  chirality for residue 89 atoms:  CA CG HB2 HB3
 &rst iat=1306,1311,1309,1310, &end
#
#  chirality for residue 89 atoms:  CB CD HG2 HG3
 &rst iat=1308,1314,1312,1313, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1304,1317,1307,1308, &end
#
#  chirality for residue 90 atoms:  CA CG HB2 HB3
 &rst iat=1321,1326,1324,1325, &end
#
#  chirality for residue 90 atoms:  CB CD HG2 HG3
 &rst iat=1323,1329,1327,1328, &end
#
#  chirality for residue 90 atoms:  CD NZ HE2 HE3
 &rst iat=1329,1335,1333,1334, &end
#
#  chirality for residue 90 atoms:  CG CE HD2 HD3
 &rst iat=1326,1332,1330,1331, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1319,1339,1322,1323, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 150., rk3=150.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=33,31,29,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=52,50,48,33, &end
#
#  trans-omega constraint for residue 5
 &rst iat=59,57,55,52, &end
#
#  trans-omega constraint for residue 6
 &rst iat=83,73,71,59, &end
#
#  trans-omega constraint for residue 7
 &rst iat=89,87,85,83, &end
#
#  trans-omega constraint for residue 8
 &rst iat=96,94,92,89, &end
#
#  trans-omega constraint for residue 9
 &rst iat=113,111,109,96, &end
#
#  trans-omega constraint for residue 10
 &rst iat=132,130,128,113, &end
#
#  trans-omega constraint for residue 11
 &rst iat=156,154,152,132, &end
#
#  trans-omega constraint for residue 12
 &rst iat=170,168,166,156, &end
#
#  trans-omega constraint for residue 13
 &rst iat=189,187,185,170, &end
#
#  trans-omega constraint for residue 14
 &rst iat=201,199,197,189, &end
#
#  trans-omega constraint for residue 15
 &rst iat=208,206,204,201, &end
#
#  trans-omega constraint for residue 16
 &rst iat=222,220,218,208, &end
#
#  trans-omega constraint for residue 17
 &rst iat=239,237,235,222, &end
#
#  trans-omega constraint for residue 18
 &rst iat=249,247,245,239, &end
#
#  trans-omega constraint for residue 19
 &rst iat=271,269,267,249, &end
#
#  trans-omega constraint for residue 20
 &rst iat=287,285,283,271, &end
#
#  trans-omega constraint for residue 21
 &rst iat=299,297,295,287, &end
#
#  trans-omega constraint for residue 22
 &rst iat=315,313,311,299, &end
#
#  trans-omega constraint for residue 23
 &rst iat=326,324,322,315, &end
#
#  trans-omega constraint for residue 24
 &rst iat=333,331,329,326, &end
#
#  trans-omega constraint for residue 25
 &rst iat=352,350,348,333, &end
#
#  trans-omega constraint for residue 26
 &rst iat=369,367,365,352, &end
#
#  trans-omega constraint for residue 27
 &rst iat=393,391,389,369, &end
#
#  trans-omega constraint for residue 28
 &rst iat=405,403,401,393, &end
#
#  trans-omega constraint for residue 29
 &rst iat=421,419,417,405, &end
#
#  trans-omega constraint for residue 30
 &rst iat=433,431,429,421, &end
#
#  trans-omega constraint for residue 31
 &rst iat=452,450,448,433, &end
#
#  trans-omega constraint for residue 32
 &rst iat=466,464,462,452, &end
#
#  trans-omega constraint for residue 33
 &rst iat=485,483,481,466, &end
#
#  trans-omega constraint for residue 34
 &rst iat=501,499,497,485, &end
#
#  trans-omega constraint for residue 35
 &rst iat=508,506,504,501, &end
#
#  trans-omega constraint for residue 36
 &rst iat=519,517,515,508, &end
#
#  trans-omega constraint for residue 37
 &rst iat=530,528,526,519, &end
#
#  trans-omega constraint for residue 38
 &rst iat=542,540,538,530, &end
#
#  trans-omega constraint for residue 39
 &rst iat=557,555,553,542, &end
#
#  trans-omega constraint for residue 40
 &rst iat=571,569,567,557, &end
#
#  trans-omega constraint for residue 41
 &rst iat=578,576,574,571, &end
#
#  trans-omega constraint for residue 42
 &rst iat=603,593,591,578, &end
#
#  trans-omega constraint for residue 43
 &rst iat=609,607,605,603, &end
#
#  trans-omega constraint for residue 44
 &rst iat=633,631,629,609, &end
#
#  trans-omega constraint for residue 45
 &rst iat=649,647,645,633, &end
#
#  trans-omega constraint for residue 46
 &rst iat=656,654,652,649, &end
#
#  trans-omega constraint for residue 47
 &rst iat=673,671,669,656, &end
#
#  trans-omega constraint for residue 48
 &rst iat=697,695,693,673, &end
#
#  trans-omega constraint for residue 49
 &rst iat=713,711,709,697, &end
#
#  trans-omega constraint for residue 50
 &rst iat=732,730,728,713, &end
#
#  trans-omega constraint for residue 51
 &rst iat=748,746,744,732, &end
#
#  trans-omega constraint for residue 52
 &rst iat=765,763,761,748, &end
#
#  trans-omega constraint for residue 53
 &rst iat=781,779,777,765, &end
#
#  trans-omega constraint for residue 54
 &rst iat=788,786,784,781, &end
#
#  trans-omega constraint for residue 55
 &rst iat=808,806,804,788, &end
#
#  trans-omega constraint for residue 56
 &rst iat=818,816,814,808, &end
#
#  trans-omega constraint for residue 57
 &rst iat=835,833,831,818, &end
#
#  trans-omega constraint for residue 58
 &rst iat=846,844,842,835, &end
#
#  trans-omega constraint for residue 59
 &rst iat=862,860,858,846, &end
#
#  trans-omega constraint for residue 60
 &rst iat=881,879,877,862, &end
#
#  trans-omega constraint for residue 61
 &rst iat=895,893,891,881, &end
#
#  trans-omega constraint for residue 62
 &rst iat=910,908,906,895, &end
#
#  trans-omega constraint for residue 63
 &rst iat=920,918,916,910, &end
#
#  trans-omega constraint for residue 64
 &rst iat=935,933,931,920, &end
#
#  trans-omega constraint for residue 65
 &rst iat=945,943,941,935, &end
#
#  trans-omega constraint for residue 66
 &rst iat=969,967,965,945, &end
#
#  trans-omega constraint for residue 67
 &rst iat=981,979,977,969, &end
#
#  trans-omega constraint for residue 68
 &rst iat=995,993,991,981, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1014,1012,1010,995, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1026,1024,1022,1014, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1036,1034,1032,1026, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1055,1053,1051,1036, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1072,1070,1068,1055, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1086,1084,1082,1072, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1103,1101,1099,1086, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1123,1121,1119,1103, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1135,1133,1131,1123, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1151,1149,1147,1135, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1174,1164,1162,1151, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1180,1178,1176,1174, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1192,1190,1188,1180, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1208,1206,1204,1192, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1215,1213,1211,1208, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1225,1223,1221,1215, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1244,1242,1240,1225, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1263,1261,1259,1244, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1284,1282,1280,1263, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1291,1289,1287,1284, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1306,1304,1302,1291, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1321,1319,1317,1306, &end
#
#   49 LEU  MDY          67 THR  HB          4.50    (#      8:21  Unique         3.54, 5.74 A)
 &rst
  ixpk= 8, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#    0 AMB  21-2:9        2 CYS  HA          4.50    (#      9:21  Single Ambig)
 &rst
  ixpk= 9, nxpk= 21, iat=  -1,  23, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  25,  26,  25,  26,
 &end
#
#   29 ASP  HN           28 VAL  HA          2.80    (#     23:21  Unique         2.16, 2.20 A)
 &rst
  ixpk= 23, nxpk= 21, iat= 420, 406, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   28 VAL  HN           28 VAL  HA          4.50    (#     24:21  Unique         2.91, 2.92 A)
 &rst
  ixpk= 24, nxpk= 21, iat= 404, 406, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    4 GLY  HN            3 ILE  HA          4.50    (#     25:21  Unique         2.17, 2.31 A)
 &rst
  ixpk= 25, nxpk= 21, iat=  51,  34, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 ASP  HA           28 VAL  HA          6.00    (#     26:21  Unique         4.39, 4.42 A)
 &rst
  ixpk= 26, nxpk= 21, iat= 394, 406, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 VAL  HB           28 VAL  HA          3.50    (#     28:21  Unique         2.31, 2.58 A)
 &rst
  ixpk= 28, nxpk= 21, iat= 408, 406, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:29       0 AMB  21-1:29     2.80    (#     29:21  Double Ambig)
 &rst
  ixpk= 29, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  45,  46,  47,  38,  39,  40, 410, 411, 412, 414,
       415, 416,
 igr2=  34, 406,
 &end
#
#    3 ILE  HN            3 ILE  MG2         4.50    (#     31:21  Unique         2.11, 4.02 A)
 &rst
  ixpk= 31, nxpk= 21, iat=  32,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  38,  39,  40,
 &end
#
#    3 ILE  HA            3 ILE  MG2         4.50    (#     32:21  Unique         2.10, 3.40 A)
 &rst
  ixpk= 32, nxpk= 21, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=  38,  39,  40,
 &end
#
#    3 ILE  HB            3 ILE  MG2         3.50    (#     33:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 33, nxpk= 21, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  38,  39,  40,
 &end
#
#    3 ILE  HG1-          3 ILE  MG2         3.50    (#     34:21  Unique         2.12, 3.30 A)
 &rst
  ixpk= 34, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  42,  43,
 igr2=  38,  39,  40,
 &end
#
#    0 AMB  21-2:35       3 ILE  MG2         3.50    (#     35:21  Single Ambig)
 &rst
  ixpk= 35, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 737, 738, 739, 741, 742, 743,  42,  43,
 igr2=  38,  39,  40,
 &end
#
#    3 ILE  HB            3 ILE  MD1         6.00    (#     36:21  Unique         2.27, 3.23 A)
 &rst
  ixpk= 36, nxpk= 21, iat=  36,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  45,  46,  47,
 &end
#
#    3 ILE  HG1-          3 ILE  MD1         4.50    (#     37:21  Unique         2.20, 2.62 A)
 &rst
  ixpk= 37, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  42,  43,
 igr2=  45,  46,  47,
 &end
#
#    5 VAL  HN            0 AMB  21-1:41     4.50    (#     41:21  Single Ambig)
 &rst
  ixpk= 41, nxpk= 21, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=  53,  54,  53,  54,
 &end
#
#    4 GLY  HN            0 AMB  21-1:42     6.00    (#     42:21  Single Ambig)
 &rst
  ixpk= 42, nxpk= 21, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  53,  54,  53,  54,
 &end
#
#   51 HIS  HB-           0 AMB  21-1:43     6.00    (#     43:21  Single Ambig)
 &rst
  ixpk= 43, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 751, 752,
 igr2=  53,  54,  53,  54,
 &end
#
#    0 AMB  21-2:44       0 AMB  21-1:44     6.00    (#     44:21  Double Ambig)
 &rst
  ixpk= 44, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=12.24, r4=12.74,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 igr2=  53,  54,  53,  54,  53,  54,
 &end
#
#    0 AMB  21-2:46       5 VAL  HA          6.00    (#     46:21  Single Ambig)
 &rst
  ixpk= 46, nxpk= 21, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    0 AMB  21-2:47       5 VAL  HB          2.80    (#     47:21  Single Ambig)
 &rst
  ixpk= 47, nxpk= 21, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    6 PRO  HD+           5 VAL  HB          6.00    (#     48:21  Unique         3.77, 4.44 A)
 &rst
  ixpk= 48, nxpk= 21, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   20 ASP  HA           25 GLN  HG-         6.00    (#     49:21  Unique         1.92, 2.44 A)
 &rst
  ixpk= 49, nxpk= 21, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#    0 AMB  21-2:50       0 AMB  21-1:50     4.50    (#     50:21  Double Ambig)
 &rst
  ixpk= 50, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 353,  60,
 igr2= 358, 359,  62,
 &end
#
#   25 GLN  HE2+         25 GLN  HG-         6.00    (#     51:21  Unique         2.65, 3.52 A)
 &rst
  ixpk= 51, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 363, 364,
 igr2= 358, 359,
 &end
#
#    5 VAL  HN            5 VAL  HB          4.50    (#     52:21  Unique         2.58, 2.90 A)
 &rst
  ixpk= 52, nxpk= 21, iat=  58,  62, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:53      25 GLN  HG-         4.50    (#     53:21  Single Ambig)
 &rst
  ixpk= 53, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 286, 351,
 igr2= 358, 359,
 &end
#
#   26 ARG  HN           25 GLN  HG-         6.00    (#     54:21  Unique         3.30, 3.92 A)
 &rst
  ixpk= 54, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#    5 VAL  HN            0 AMB  21-1:55     4.50    (#     55:21  Single Ambig)
 &rst
  ixpk= 55, nxpk= 21, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    5 VAL  HA            0 AMB  21-1:56     3.50    (#     56:21  Single Ambig)
 &rst
  ixpk= 56, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    6 PRO  HD-           0 AMB  21-1:57     4.50    (#     57:21  Single Ambig)
 &rst
  ixpk= 57, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  75,  76,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    0 AMB  21-2:58       0 AMB  21-1:58     4.50    (#     58:21  Double Ambig)
 &rst
  ixpk= 58, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1=  75,  76,  75,  76,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    5 VAL  HB            0 AMB  21-1:59     2.80    (#     59:21  Single Ambig)
 &rst
  ixpk= 59, nxpk= 21, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    3 ILE  HA            0 AMB  21-1:60     6.00    (#     60:21  Single Ambig)
 &rst
  ixpk= 60, nxpk= 21, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    7 GLY  HN            6 PRO  HA          2.80    (#     61:21  Unique         2.16, 2.25 A)
 &rst
  ixpk= 61, nxpk= 21, iat=  88,  84, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA            6 PRO  HA          6.00    (#     63:21  Unique         4.80, 5.19 A)
 &rst
  ixpk= 63, nxpk= 21, iat= 698,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HA            6 PRO  HA          3.50    (#     64:21  Unique         1.96, 2.05 A)
 &rst
  ixpk= 64, nxpk= 21, iat= 714,  84, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 PRO  HB+           6 PRO  HA          3.50    (#     65:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 65, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81,  82,
 &end
#
#    6 PRO  HG-           6 PRO  HA          6.00    (#     66:21  Unique         3.85, 3.94 A)
 &rst
  ixpk= 66, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 &end
#
#   49 LEU  MDY           6 PRO  HA          3.50    (#     67:21  Unique         2.64, 4.96 A)
 &rst
  ixpk= 67, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#    7 GLY  HN            6 PRO  HB+         6.00    (#     68:21  Unique         2.72, 3.42 A)
 &rst
  ixpk= 68, nxpk= 21, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#    7 GLY  HN            6 PRO  HB-         6.00    (#     69:21  Unique         2.72, 3.42 A)
 &rst
  ixpk= 69, nxpk= 21, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#    0 AMB  21-2:70       0 AMB  21-1:70     4.50    (#     70:21  Double Ambig)
 &rst
  ixpk= 70, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 691, 484,
 igr2=  81,  82, 488,
 &end
#
#   47 TRP  HZ3           6 PRO  HB+         6.00    (#     71:21  Unique         3.64, 4.64 A)
 &rst
  ixpk= 71, nxpk= 21, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#   47 TRP  HZ3           6 PRO  HB-         6.00    (#     72:21  Unique         3.64, 4.64 A)
 &rst
  ixpk= 72, nxpk= 21, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#    6 PRO  HA            6 PRO  HB+         4.50    (#     73:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 73, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#    6 PRO  HA            6 PRO  HB-         6.00    (#     74:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 74, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#   64 ALA  HA            6 PRO  HB+         4.50    (#     75:21  Unique         2.70, 2.97 A)
 &rst
  ixpk= 75, nxpk= 21, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#   64 ALA  HA            6 PRO  HB-         6.00    (#     76:21  Unique         2.70, 2.97 A)
 &rst
  ixpk= 76, nxpk= 21, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#    0 AMB  21-2:77      77 VAL  HB          2.80    (#     77:21  Single Ambig)
 &rst
  ixpk= 77, nxpk= 21, iat=  -1,1138, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#    0 AMB  21-2:79       6 PRO  HB-         3.50    (#     79:21  Single Ambig)
 &rst
  ixpk= 79, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
 igr2=  81,  82,
 &end
#
#    0 AMB  21-2:80       0 AMB  21-1:80     2.80    (#     80:21  Double Ambig)
 &rst
  ixpk= 80, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
 igr2=  81,  82,  81,  82,
 &end
#
#   68 LEU  HN            6 PRO  HG+         6.00    (#     81:21  Unique         3.36, 3.83 A)
 &rst
  ixpk= 81, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#   68 LEU  HN            6 PRO  HG-         6.00    (#     82:21  Unique         3.36, 3.83 A)
 &rst
  ixpk= 82, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#    6 PRO  HA            6 PRO  HG+         6.00    (#     83:21  Unique         3.85, 3.94 A)
 &rst
  ixpk= 83, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#    6 PRO  HA            6 PRO  HG-         6.00    (#     84:21  Unique         3.85, 3.94 A)
 &rst
  ixpk= 84, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#    5 VAL  HA            6 PRO  HG+         6.00    (#     85:21  Unique         4.13, 4.27 A)
 &rst
  ixpk= 85, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#   67 THR  HB            6 PRO  HG-         6.00    (#     86:21  Unique         1.98, 2.76 A)
 &rst
  ixpk= 86, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#   67 THR  HB            6 PRO  HG+         4.50    (#     87:21  Unique         1.98, 2.76 A)
 &rst
  ixpk= 87, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  78,  79,
 &end
#
#    6 PRO  HD+           6 PRO  HG+         6.00    (#     88:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 88, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  75,  76,
 igr2=  78,  79,
 &end
#
#    6 PRO  HD-           6 PRO  HG+         4.50    (#     89:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 89, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  75,  76,
 igr2=  78,  79,
 &end
#
#    6 PRO  HD+           6 PRO  HG-         4.50    (#     90:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 90, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  75,  76,
 igr2=  78,  79,
 &end
#
#    6 PRO  HD-           6 PRO  HG-         4.50    (#     91:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 91, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  75,  76,
 igr2=  78,  79,
 &end
#
#   67 THR  MG2           6 PRO  HG+         4.50    (#     94:21  Unique         2.39, 4.42 A)
 &rst
  ixpk= 94, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 986, 987, 988,
 igr2=  78,  79,
 &end
#
#   68 LEU  MDY           6 PRO  HG+         4.50    (#     95:21  Unique         2.06, 4.95 A)
 &rst
  ixpk= 95, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1003,1004,1005,1007,1008,1009,
 igr2=  78,  79,
 &end
#
#   49 LEU  MDY           6 PRO  HG+         4.50    (#     96:21  Unique         2.77, 5.98 A)
 &rst
  ixpk= 96, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2=  78,  79,
 &end
#
#   49 LEU  MDY           6 PRO  HG-         3.50    (#     97:21  Unique         2.77, 5.98 A)
 &rst
  ixpk= 97, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2=  78,  79,
 &end
#
#   67 THR  MG2           6 PRO  HG-         4.50    (#     98:21  Unique         2.39, 4.42 A)
 &rst
  ixpk= 98, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 986, 987, 988,
 igr2=  78,  79,
 &end
#
#   68 LEU  MDY           6 PRO  HG-         6.00    (#     99:21  Unique         2.06, 4.95 A)
 &rst
  ixpk= 99, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1003,1004,1005,1007,1008,1009,
 igr2=  78,  79,
 &end
#
#    5 VAL  HA            6 PRO  HD+         2.80    (#    100:21  Unique         1.93, 2.17 A)
 &rst
  ixpk= 100, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=  75,  76,
 &end
#
#    5 VAL  HA            6 PRO  HD-         3.50    (#    101:21  Unique         1.93, 2.17 A)
 &rst
  ixpk= 101, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=  75,  76,
 &end
#
#    6 PRO  HG+           6 PRO  HD+         4.50    (#    104:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 104, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  75,  76,
 &end
#
#    6 PRO  HG+           6 PRO  HD-         4.50    (#    105:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 105, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  75,  76,
 &end
#
#    6 PRO  HB-           6 PRO  HD+         4.50    (#    106:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 106, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  81,  82,
 igr2=  75,  76,
 &end
#
#    6 PRO  HB-           6 PRO  HD-         4.50    (#    107:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 107, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  81,  82,
 igr2=  75,  76,
 &end
#
#    6 PRO  HG-           6 PRO  HD-         4.50    (#    108:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 108, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  75,  76,
 &end
#
#    6 PRO  HG-           6 PRO  HD+         4.50    (#    109:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 109, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  75,  76,
 &end
#
#   68 LEU  HG            6 PRO  HD+         6.00    (#    110:21  Unique         2.63, 3.98 A)
 &rst
  ixpk= 110, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#   68 LEU  HG            6 PRO  HD-         6.00    (#    111:21  Unique         2.63, 3.98 A)
 &rst
  ixpk= 111, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#   49 LEU  MDY           6 PRO  HD+         4.50    (#    112:21  Unique         2.40, 5.85 A)
 &rst
  ixpk= 112, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2=  75,  76,
 &end
#
#    0 AMB  21-2:113      0 AMB  21-1:113    3.50    (#    113:21  Double Ambig)
 &rst
  ixpk= 113, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 igr2=  75,  76,  75,  76,
 &end
#
#   67 THR  MG2           6 PRO  HD+         4.50    (#    114:21  Unique         1.99, 3.59 A)
 &rst
  ixpk= 114, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 986, 987, 988,
 igr2=  75,  76,
 &end
#
#   49 LEU  MDY           6 PRO  HD-         6.00    (#    115:21  Unique         2.40, 5.85 A)
 &rst
  ixpk= 115, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2=  75,  76,
 &end
#
#    0 AMB  21-2:116      6 PRO  HD-         2.80    (#    116:21  Single Ambig)
 &rst
  ixpk= 116, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 igr2=  75,  76,
 &end
#
#   67 THR  MG2           6 PRO  HD-         4.50    (#    117:21  Unique         1.99, 3.59 A)
 &rst
  ixpk= 117, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 986, 987, 988,
 igr2=  75,  76,
 &end
#
#    7 GLY  HN            7 GLY  HA-         4.50    (#    118:21  Unique         2.49, 2.77 A)
 &rst
  ixpk= 118, nxpk= 21, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  90,  91,
 &end
#
#    8 GLN  HN            7 GLY  HA-         4.50    (#    119:21  Unique         2.44, 2.56 A)
 &rst
  ixpk= 119, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  90,  91,
 &end
#
#    8 GLN  HN            7 GLY  HA+         4.50    (#    120:21  Unique         2.44, 2.56 A)
 &rst
  ixpk= 120, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  90,  91,
 &end
#
#   47 TRP  HZ3           7 GLY  HA-         6.00    (#    121:21  Unique         2.53, 3.49 A)
 &rst
  ixpk= 121, nxpk= 21, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  90,  91,
 &end
#
#    6 PRO  HA            7 GLY  HA-         6.00    (#    122:21  Unique         4.31, 4.39 A)
 &rst
  ixpk= 122, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  90,  91,
 &end
#
#   21 VAL  HA            7 GLY  HA-         4.50    (#    124:21  Unique         3.41, 3.86 A)
 &rst
  ixpk= 124, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  90,  91,
 &end
#
#   21 VAL  HA            7 GLY  HA+         6.00    (#    125:21  Unique         3.41, 3.86 A)
 &rst
  ixpk= 125, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  90,  91,
 &end
#
#    0 AMB  21-2:126      7 GLY  HA-         6.00    (#    126:21  Single Ambig)
 &rst
  ixpk= 126, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 302, 700,
 igr2=  90,  91,
 &end
#
#   21 VAL  MGY           7 GLY  HA-         6.00    (#    127:21  Unique         3.11, 5.63 A)
 &rst
  ixpk= 127, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 304, 305, 306, 308, 309, 310,
 igr2=  90,  91,
 &end
#
#   21 VAL  MGX           7 GLY  HA-         4.50    (#    128:21  Unique         3.11, 5.63 A)
 &rst
  ixpk= 128, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 304, 305, 306, 308, 309, 310,
 igr2=  90,  91,
 &end
#
#   19 VAL  MGY           7 GLY  HA-         6.00    (#    129:21  Unique         1.86, 3.80 A)
 &rst
  ixpk= 129, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2=  90,  91,
 &end
#
#   19 VAL  MGX           7 GLY  HA-         3.50    (#    130:21  Unique         1.86, 3.80 A)
 &rst
  ixpk= 130, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2=  90,  91,
 &end
#
#   48 VAL  HN            8 GLN  HA          6.00    (#    131:21  Unique         3.69, 3.84 A)
 &rst
  ixpk= 131, nxpk= 21, iat= 696,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HN            8 GLN  HA          2.80    (#    132:21  Unique         2.16, 2.18 A)
 &rst
  ixpk= 132, nxpk= 21, iat= 112,  97, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 TRP  HA            8 GLN  HA          3.50    (#    133:21  Unique         2.37, 2.46 A)
 &rst
  ixpk= 133, nxpk= 21, iat= 674,  97, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:135      0 AMB  21-1:135    6.00    (#    135:21  Double Ambig)
 &rst
  ixpk= 135, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 122, 123,1327,1328,
 igr2=  97,1216,
 &end
#
#    8 GLN  HB+           8 GLN  HA          4.50    (#    136:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 136, nxpk= 21, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  99, 100,
 &end
#
#    8 GLN  HG-           8 GLN  HA          3.50    (#    137:21  Unique         2.20, 2.67 A)
 &rst
  ixpk= 137, nxpk= 21, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 102, 103,
 &end
#
#    8 GLN  HB-           8 GLN  HA          4.50    (#    138:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 138, nxpk= 21, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  99, 100,
 &end
#
#    8 GLN  HN            8 GLN  HB-         4.50    (#    139:21  Unique         2.47, 2.69 A)
 &rst
  ixpk= 139, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  99, 100,
 &end
#
#    8 GLN  HN            8 GLN  HB+         4.50    (#    140:21  Unique         2.47, 2.69 A)
 &rst
  ixpk= 140, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  99, 100,
 &end
#
#    8 GLN  HA            8 GLN  HB-         4.50    (#    141:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 141, nxpk= 21, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  99, 100,
 &end
#
#    8 GLN  HA            8 GLN  HB+         4.50    (#    142:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 142, nxpk= 21, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  99, 100,
 &end
#
#    8 GLN  HG-           8 GLN  HB-         4.50    (#    144:21  Unique         2.29, 2.72 A)
 &rst
  ixpk= 144, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 102, 103,
 igr2=  99, 100,
 &end
#
#    8 GLN  HG-           8 GLN  HB+         4.50    (#    145:21  Unique         2.29, 2.72 A)
 &rst
  ixpk= 145, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 102, 103,
 igr2=  99, 100,
 &end
#
#    9 ILE  HN            8 GLN  HG+         6.00    (#    146:21  Unique         2.87, 3.05 A)
 &rst
  ixpk= 146, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    9 ILE  HN            8 GLN  HG-         6.00    (#    147:21  Unique         2.87, 3.05 A)
 &rst
  ixpk= 147, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    8 GLN  HE2+          8 GLN  HG+         4.50    (#    148:21  Unique         2.37, 3.08 A)
 &rst
  ixpk= 148, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 107, 108,
 igr2= 102, 103,
 &end
#
#    8 GLN  HE2+          8 GLN  HG-         4.50    (#    149:21  Unique         2.37, 3.08 A)
 &rst
  ixpk= 149, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 107, 108,
 igr2= 102, 103,
 &end
#
#    8 GLN  HE2-          8 GLN  HG-         6.00    (#    150:21  Unique         2.37, 3.08 A)
 &rst
  ixpk= 150, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 102, 103,
 &end
#
#    8 GLN  HE2-          8 GLN  HG+         6.00    (#    151:21  Unique         2.37, 3.08 A)
 &rst
  ixpk= 151, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 102, 103,
 &end
#
#   45 GLY  HA+           8 GLN  HG-         6.00    (#    152:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 152, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 102, 103,
 &end
#
#   45 GLY  HA+           8 GLN  HG+         6.00    (#    153:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 153, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 102, 103,
 &end
#
#    8 GLN  HA            8 GLN  HG+         4.50    (#    154:21  Unique         2.20, 2.67 A)
 &rst
  ixpk= 154, nxpk= 21, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 102, 103,
 &end
#
#    8 GLN  HA            8 GLN  HG-         4.50    (#    155:21  Unique         2.20, 2.67 A)
 &rst
  ixpk= 155, nxpk= 21, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 102, 103,
 &end
#
#   45 GLY  HA-           8 GLN  HG-         6.00    (#    156:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 156, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 102, 103,
 &end
#
#   45 GLY  HA-           8 GLN  HG+         6.00    (#    157:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 157, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 102, 103,
 &end
#
#    8 GLN  HB-           8 GLN  HG+         4.50    (#    160:21  Unique         2.29, 2.72 A)
 &rst
  ixpk= 160, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  99, 100,
 igr2= 102, 103,
 &end
#
#    8 GLN  HB-           8 GLN  HG-         4.50    (#    161:21  Unique         2.29, 2.72 A)
 &rst
  ixpk= 161, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  99, 100,
 igr2= 102, 103,
 &end
#
#   10 ARG  HN            9 ILE  HA          3.50    (#    162:21  Unique         2.89, 2.91 A)
 &rst
  ixpk= 162, nxpk= 21, iat= 131, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HN            9 ILE  HA          6.00    (#    163:21  Unique         2.88, 2.89 A)
 &rst
  ixpk= 163, nxpk= 21, iat= 112, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HN            9 ILE  HA          6.00    (#    164:21  Unique         4.12, 4.19 A)
 &rst
  ixpk= 164, nxpk= 21, iat= 286, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 THR  HN            9 ILE  HA          6.00    (#    165:21  Unique         3.29, 3.37 A)
 &rst
  ixpk= 165, nxpk= 21, iat= 155, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HA            9 ILE  HA          3.50    (#    166:21  Unique         2.78, 2.84 A)
 &rst
  ixpk= 166, nxpk= 21, iat= 272, 114, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 GLN  HA            9 ILE  HA          6.00    (#    167:21  Unique         4.35, 4.35 A)
 &rst
  ixpk= 167, nxpk= 21, iat=  97, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HB            9 ILE  HA          6.00    (#    168:21  Unique         3.01, 3.01 A)
 &rst
  ixpk= 168, nxpk= 21, iat= 116, 114, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HG1-          9 ILE  HA          4.50    (#    169:21  Unique         2.64, 2.92 A)
 &rst
  ixpk= 169, nxpk= 21, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 122, 123,
 &end
#
#   17 ALA  MB            9 ILE  HA          6.00    (#    170:21  Unique         3.22, 4.22 A)
 &rst
  ixpk= 170, nxpk= 21, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 242, 243, 244,
 &end
#
#    9 ILE  MG2           9 ILE  HA          2.80    (#    171:21  Unique         2.35, 3.00 A)
 &rst
  ixpk= 171, nxpk= 21, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 118, 119, 120,
 &end
#
#   19 VAL  MGX           9 ILE  HA          4.50    (#    172:21  Unique         3.27, 5.35 A)
 &rst
  ixpk= 172, nxpk= 21, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    9 ILE  HN            9 ILE  HB          4.50    (#    173:21  Unique         2.64, 2.67 A)
 &rst
  ixpk= 173, nxpk= 21, iat= 112, 116, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HN            9 ILE  HB          6.00    (#    174:21  Unique         4.57, 4.77 A)
 &rst
  ixpk= 174, nxpk= 21, iat= 648, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 GLN  HN            9 ILE  HB          6.00    (#    175:21  Unique         4.39, 4.45 A)
 &rst
  ixpk= 175, nxpk= 21, iat= 655, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:176      9 ILE  HB          6.00    (#    176:21  Single Ambig)
 &rst
  ixpk= 176, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 272, 171,
 &end
#
#    0 AMB  21-2:177      9 ILE  HB          6.00    (#    177:21  Single Ambig)
 &rst
  ixpk= 177, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 610,  97,
 &end
#
#    9 ILE  HA            9 ILE  HB          6.00    (#    178:21  Unique         3.01, 3.01 A)
 &rst
  ixpk= 178, nxpk= 21, iat= 114, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HA            9 ILE  HB          6.00    (#    179:21  Unique         2.44, 2.93 A)
 &rst
  ixpk= 179, nxpk= 21, iat= 634, 116, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HG1-          9 ILE  HB          4.50    (#    180:21  Unique         2.46, 2.75 A)
 &rst
  ixpk= 180, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 122, 123,
 &end
#
#    9 ILE  MG2           9 ILE  HB          2.80    (#    181:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 181, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 118, 119, 120,
 &end
#
#   10 ARG  HN            9 ILE  MG2         4.50    (#    182:21  Unique         4.41, 5.15 A)
 &rst
  ixpk= 182, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 118, 119, 120,
 &end
#
#    9 ILE  HN            9 ILE  MG2         6.00    (#    183:21  Unique         4.41, 4.56 A)
 &rst
  ixpk= 183, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   45 GLY  HN            9 ILE  MG2         6.00    (#    184:21  Unique         5.82, 6.86 A)
 &rst
  ixpk= 184, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   18 LYS  HN            9 ILE  MG2         6.00    (#    185:21  Unique         3.14, 4.18 A)
 &rst
  ixpk= 185, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   11 THR  HN            9 ILE  MG2         6.00    (#    186:21  Unique         3.57, 4.74 A)
 &rst
  ixpk= 186, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  21-2:187      9 ILE  MG2         6.00    (#    187:21  Single Ambig)
 &rst
  ixpk= 187, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 272, 133,
 igr2= 118, 119, 120,
 &end
#
#    9 ILE  HA            9 ILE  MG2         4.50    (#    188:21  Unique         2.35, 3.00 A)
 &rst
  ixpk= 188, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  21-2:189      9 ILE  MG2         4.50    (#    189:21  Single Ambig)
 &rst
  ixpk= 189, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 634, 618, 619,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  21-2:190      9 ILE  MG2         3.50    (#    190:21  Single Ambig)
 &rst
  ixpk= 190, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 612, 613, 116,
 igr2= 118, 119, 120,
 &end
#
#    9 ILE  HG1-          9 ILE  MG2         4.50    (#    191:21  Unique         2.32, 3.49 A)
 &rst
  ixpk= 191, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 122, 123,
 igr2= 118, 119, 120,
 &end
#
#   17 ALA  MB            9 ILE  MG2         2.80    (#    192:21  Unique         1.97, 2.90 A)
 &rst
  ixpk= 192, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 242, 243, 244,
 igr2= 118, 119, 120,
 &end
#
#    0 AMB  21-2:193      9 ILE  MG2         3.50    (#    193:21  Single Ambig)
 &rst
  ixpk= 193, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 182, 183, 184, 175, 176, 177,
 igr2= 118, 119, 120,
 &end
#
#    9 ILE  HN            9 ILE  HG1-        4.50    (#    194:21  Unique         1.96, 2.62 A)
 &rst
  ixpk= 194, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 122, 123,
 &end
#
#    9 ILE  HN            9 ILE  HG1+        6.00    (#    195:21  Unique         1.96, 2.62 A)
 &rst
  ixpk= 195, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#    9 ILE  HA            9 ILE  HG1-        6.00    (#    196:21  Unique         2.64, 2.92 A)
 &rst
  ixpk= 196, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#    9 ILE  HA            9 ILE  HG1+        6.00    (#    197:21  Unique         2.64, 2.92 A)
 &rst
  ixpk= 197, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   17 ALA  MB            9 ILE  HG1+        6.00    (#    199:21  Unique         3.82, 5.11 A)
 &rst
  ixpk= 199, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 242, 243, 244,
 igr2= 122, 123,
 &end
#
#    0 AMB  21-2:201      9 ILE  MD1         6.00    (#    201:21  Single Ambig)
 &rst
  ixpk= 201, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 112, 672,
 igr2= 125, 126, 127,
 &end
#
#   45 GLY  HN            9 ILE  MD1         6.00    (#    202:21  Unique         5.36, 6.71 A)
 &rst
  ixpk= 202, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 125, 126, 127,
 &end
#
#   46 GLN  HN            9 ILE  MD1         6.00    (#    203:21  Unique         4.10, 5.46 A)
 &rst
  ixpk= 203, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 125, 126, 127,
 &end
#
#   46 GLN  HA            9 ILE  MD1         6.00    (#    204:21  Unique         4.96, 6.13 A)
 &rst
  ixpk= 204, nxpk= 21, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  21-2:205      9 ILE  MD1         6.00    (#    205:21  Single Ambig)
 &rst
  ixpk= 205, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 610, 509,
 igr2= 125, 126, 127,
 &end
#
#    9 ILE  HA            9 ILE  MD1         6.00    (#    206:21  Unique         4.40, 4.70 A)
 &rst
  ixpk= 206, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 125, 126, 127,
 &end
#
#   43 ARG  HD+           9 ILE  MD1         6.00    (#    207:21  Unique         2.02, 3.57 A)
 &rst
  ixpk= 207, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619,
 igr2= 125, 126, 127,
 &end
#
#   43 ARG  HD-           9 ILE  MD1         6.00    (#    208:21  Unique         2.02, 3.57 A)
 &rst
  ixpk= 208, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 618, 619,
 igr2= 125, 126, 127,
 &end
#
#   46 GLN  HB+           9 ILE  MD1         4.50    (#    209:21  Unique         3.18, 4.42 A)
 &rst
  ixpk= 209, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 659, 660,
 igr2= 125, 126, 127,
 &end
#
#   43 ARG  HB+           9 ILE  MD1         2.80    (#    210:21  Unique         1.98, 2.89 A)
 &rst
  ixpk= 210, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 612, 613,
 igr2= 125, 126, 127,
 &end
#
#    9 ILE  HG1-          9 ILE  MD1         3.50    (#    211:21  Unique         2.21, 2.62 A)
 &rst
  ixpk= 211, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 122, 123,
 igr2= 125, 126, 127,
 &end
#
#   10 ARG  HN            9 ILE  MD1         6.00    (#    212:21  Unique         6.43, 6.68 A)
 &rst
  ixpk= 212, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  21-2:213      9 ILE  MD1         4.50    (#    213:21  Single Ambig)
 &rst
  ixpk= 213, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 612, 613, 851, 852, 853, 855, 856, 857,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  21-2:214      9 ILE  MD1         2.80    (#    214:21  Single Ambig)
 &rst
  ixpk= 214, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 702, 703, 704, 706, 707, 708, 851, 852, 853, 855,
       856, 857,
 igr2= 125, 126, 127,
 &end
#
#   10 ARG  HN           10 ARG  HA          4.50    (#    215:21  Unique         2.68, 2.69 A)
 &rst
  ixpk= 215, nxpk= 21, iat= 131, 133, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 TRP  HN           46 GLN  HA          2.80    (#    216:21  Unique         2.23, 2.26 A)
 &rst
  ixpk= 216, nxpk= 21, iat= 672, 657, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   45 GLY  HN            0 AMB  21-1:217    6.00    (#    217:21  Single Ambig)
 &rst
  ixpk= 217, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 657, 133,
 &end
#
#   46 GLN  HN           46 GLN  HA          4.50    (#    218:21  Unique         2.84, 2.86 A)
 &rst
  ixpk= 218, nxpk= 21, iat= 655, 657, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 THR  HN           10 ARG  HA          6.00    (#    219:21  Unique         3.52, 3.53 A)
 &rst
  ixpk= 219, nxpk= 21, iat= 155, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HD1          46 GLN  HA          6.00    (#    220:21  Unique         2.90, 3.02 A)
 &rst
  ixpk= 220, nxpk= 21, iat= 680, 657, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HD+          10 ARG  HA          3.50    (#    221:21  Unique         2.38, 3.30 A)
 &rst
  ixpk= 221, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 141, 142,
 &end
#
#   10 ARG  HD-          10 ARG  HA          4.50    (#    222:21  Unique         2.38, 3.30 A)
 &rst
  ixpk= 222, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 141, 142,
 &end
#
#    0 AMB  21-2:223     46 GLN  HA          2.80    (#    223:21  Single Ambig)
 &rst
  ixpk= 223, nxpk= 21, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 662, 663, 662, 663,
 &end
#
#   46 GLN  HB-          46 GLN  HA          4.50    (#    224:21  Unique         2.62, 2.83 A)
 &rst
  ixpk= 224, nxpk= 21, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 659, 660,
 &end
#
#    0 AMB  21-2:225     10 ARG  HA          3.50    (#    225:21  Single Ambig)
 &rst
  ixpk= 225, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 135, 136, 135, 136,
 &end
#
#    0 AMB  21-2:226     10 ARG  HA          4.50    (#    226:21  Single Ambig)
 &rst
  ixpk= 226, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:227     10 ARG  HA          4.50    (#    227:21  Single Ambig)
 &rst
  ixpk= 227, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#   10 ARG  HN            0 AMB  21-1:228    4.50    (#    228:21  Single Ambig)
 &rst
  ixpk= 228, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 135, 136, 135, 136,
 &end
#
#   11 THR  HN            0 AMB  21-1:229    4.50    (#    229:21  Single Ambig)
 &rst
  ixpk= 229, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 135, 136, 135, 136,
 &end
#
#   10 ARG  HA            0 AMB  21-1:230    3.50    (#    230:21  Single Ambig)
 &rst
  ixpk= 230, nxpk= 21, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 135, 136, 135, 136,
 &end
#
#    0 AMB  21-2:231      0 AMB  21-1:231    6.00    (#    231:21  Double Ambig)
 &rst
  ixpk= 231, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 141, 142, 141, 142,
 igr2= 135, 136, 135, 136,
 &end
#
#   10 ARG  HD-           0 AMB  21-1:232    4.50    (#    232:21  Single Ambig)
 &rst
  ixpk= 232, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 141, 142,
 igr2= 135, 136, 135, 136,
 &end
#
#    0 AMB  21-2:233      0 AMB  21-1:233    2.80    (#    233:21  Double Ambig)
 &rst
  ixpk= 233, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 138, 139, 138, 139, 138, 139,
 igr2= 135, 136, 135, 136, 135, 136,
 &end
#
#   11 THR  MG2           0 AMB  21-1:234    6.00    (#    234:21  Single Ambig)
 &rst
  ixpk= 234, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 161, 162, 163,
 igr2= 135, 136, 135, 136,
 &end
#
#   10 ARG  HN            0 AMB  21-1:235    4.50    (#    235:21  Single Ambig)
 &rst
  ixpk= 235, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 138, 139, 138, 139,
 &end
#
#   20 ASP  HN            0 AMB  21-1:236    6.00    (#    236:21  Single Ambig)
 &rst
  ixpk= 236, nxpk= 21, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:237      0 AMB  21-1:237    6.00    (#    237:21  Double Ambig)
 &rst
  ixpk= 237, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.58, r4=11.08,
 igr1= 107, 108, 107, 108, 155,
 igr2= 138, 139, 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:238      0 AMB  21-1:238    6.00    (#    238:21  Double Ambig)
 &rst
  ixpk= 238, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 363, 364, 363, 364,
 igr2= 138, 139, 138, 139,
 &end
#
#   10 ARG  HA            0 AMB  21-1:239    3.50    (#    239:21  Single Ambig)
 &rst
  ixpk= 239, nxpk= 21, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 138, 139, 138, 139,
 &end
#
#    9 ILE  HA            0 AMB  21-1:240    6.00    (#    240:21  Single Ambig)
 &rst
  ixpk= 240, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:241      0 AMB  21-1:241    3.50    (#    241:21  Double Ambig)
 &rst
  ixpk= 241, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 141, 142, 141, 142,
 igr2= 138, 139, 138, 139,
 &end
#
#   10 ARG  HD-           0 AMB  21-1:242    4.50    (#    242:21  Single Ambig)
 &rst
  ixpk= 242, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 141, 142,
 igr2= 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:243      0 AMB  21-1:243    6.00    (#    243:21  Double Ambig)
 &rst
  ixpk= 243, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 290, 291, 290, 291,
 igr2= 138, 139, 138, 139,
 &end
#
#   20 ASP  HB-           0 AMB  21-1:244    4.50    (#    244:21  Single Ambig)
 &rst
  ixpk= 244, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 290, 291,
 igr2= 138, 139, 138, 139,
 &end
#
#   54 PHE  HN           54 PHE  HB+         4.50    (#    245:21  Unique         2.65, 3.39 A)
 &rst
  ixpk= 245, nxpk= 21, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 792,
 &end
#
#   54 PHE  HN           54 PHE  HB-         6.00    (#    246:21  Unique         2.65, 3.39 A)
 &rst
  ixpk= 246, nxpk= 21, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 791, 792,
 &end
#
#   54 PHE  HD           54 PHE  HB+         4.50    (#    247:21  Unique         2.33, 3.03 A)
 &rst
  ixpk= 247, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 803,
 igr2= 791, 792,
 &end
#
#   55 ALA  HN           54 PHE  HB-         6.00    (#    248:21  Unique         1.91, 2.50 A)
 &rst
  ixpk= 248, nxpk= 21, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 791, 792,
 &end
#
#   54 PHE  HA           54 PHE  HB+         4.50    (#    249:21  Unique         2.35, 2.73 A)
 &rst
  ixpk= 249, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 792,
 &end
#
#   54 PHE  HA           54 PHE  HB-         4.50    (#    250:21  Unique         2.35, 2.73 A)
 &rst
  ixpk= 250, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 791, 792,
 &end
#
#   26 ARG  HA           26 ARG  HD+         4.50    (#    251:21  Unique         1.93, 2.74 A)
 &rst
  ixpk= 251, nxpk= 21, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 378, 379,
 &end
#
#   26 ARG  HA           26 ARG  HD-         6.00    (#    252:21  Unique         1.93, 2.74 A)
 &rst
  ixpk= 252, nxpk= 21, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 378, 379,
 &end
#
#    0 AMB  21-2:253      0 AMB  21-1:253    3.50    (#    253:21  Double Ambig)
 &rst
  ixpk= 253, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 474, 475, 476, 478, 479, 480, 338, 339, 340,
 igr2= 791, 792, 378, 379,
 &end
#
#    0 AMB  21-2:254      0 AMB  21-1:254    4.50    (#    254:21  Double Ambig)
 &rst
  ixpk= 254, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 474, 475, 476, 478, 479, 480, 338, 339, 340,
 igr2= 791, 792, 378, 379,
 &end
#
#   12 ILE  HN           11 THR  HA          2.80    (#    255:21  Unique         2.15, 2.16 A)
 &rst
  ixpk= 255, nxpk= 21, iat= 169, 157, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   11 THR  HN           11 THR  HA          4.50    (#    256:21  Unique         2.94, 2.94 A)
 &rst
  ixpk= 256, nxpk= 21, iat= 155, 157, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   11 THR  HB           11 THR  HA          3.50    (#    257:21  Unique         2.87, 2.91 A)
 &rst
  ixpk= 257, nxpk= 21, iat= 159, 157, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 THR  MG2          11 THR  HA          3.50    (#    258:21  Unique         2.10, 2.80 A)
 &rst
  ixpk= 258, nxpk= 21, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 161, 162, 163,
 &end
#
#   12 ILE  HN           11 THR  HB          3.50    (#    259:21  Unique         3.53, 3.65 A)
 &rst
  ixpk= 259, nxpk= 21, iat= 169, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 THR  HN           11 THR  HB          6.00    (#    260:21  Unique         3.11, 3.15 A)
 &rst
  ixpk= 260, nxpk= 21, iat= 155, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 THR  HA           11 THR  HB          3.50    (#    262:21  Unique         2.87, 2.91 A)
 &rst
  ixpk= 262, nxpk= 21, iat= 157, 159, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 LYS  HB+          11 THR  HB          6.00    (#    263:21  Unique         1.92, 2.26 A)
 &rst
  ixpk= 263, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 252, 253,
 &end
#
#   18 LYS  HB-          11 THR  HB          6.00    (#    264:21  Unique         1.92, 2.26 A)
 &rst
  ixpk= 264, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 252, 253,
 &end
#
#    0 AMB  21-2:265     11 THR  HB          6.00    (#    265:21  Single Ambig)
 &rst
  ixpk= 265, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259, 255, 256,
 &end
#
#   11 THR  MG2          11 THR  HB          2.80    (#    266:21  Unique         2.31, 2.64 A)
 &rst
  ixpk= 266, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 161, 162, 163,
 &end
#
#    0 AMB  21-2:268     11 THR  HB          6.00    (#    268:21  Single Ambig)
 &rst
  ixpk= 268, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 118, 119, 120, 410, 411, 412, 414, 415, 416,
 &end
#
#   10 ARG  HN           11 THR  HB          6.00    (#    269:21  Unique         5.98, 6.06 A)
 &rst
  ixpk= 269, nxpk= 21, iat= 131, 159, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 THR  HN           11 THR  MG2         6.00    (#    270:21  Unique         4.10, 4.54 A)
 &rst
  ixpk= 270, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 161, 162, 163,
 &end
#
#   11 THR  HA           11 THR  MG2         3.50    (#    271:21  Unique         2.10, 2.80 A)
 &rst
  ixpk= 271, nxpk= 21, iat= 157,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 161, 162, 163,
 &end
#
#   11 THR  HB           11 THR  MG2         2.80    (#    272:21  Unique         2.31, 2.64 A)
 &rst
  ixpk= 272, nxpk= 21, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 161, 162, 163,
 &end
#
#    0 AMB  21-2:273     11 THR  MG2         6.00    (#    273:21  Single Ambig)
 &rst
  ixpk= 273, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 135, 136, 135, 136,
 igr2= 161, 162, 163,
 &end
#
#   13 ASP  HN           12 ILE  HA          2.80    (#    274:21  Unique         2.15, 2.16 A)
 &rst
  ixpk= 274, nxpk= 21, iat= 188, 171, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   12 ILE  HN           12 ILE  HA          6.00    (#    275:21  Unique         2.94, 2.94 A)
 &rst
  ixpk= 275, nxpk= 21, iat= 169, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HN           12 ILE  HA          6.00    (#    276:21  Unique         3.35, 3.43 A)
 &rst
  ixpk= 276, nxpk= 21, iat= 248, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HA           12 ILE  HA          3.50    (#    277:21  Unique         2.13, 2.21 A)
 &rst
  ixpk= 277, nxpk= 21, iat= 240, 171, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   12 ILE  HB           12 ILE  HA          4.50    (#    278:21  Unique         3.01, 3.02 A)
 &rst
  ixpk= 278, nxpk= 21, iat= 173, 171, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  MB           12 ILE  HA          4.50    (#    279:21  Unique         2.02, 3.00 A)
 &rst
  ixpk= 279, nxpk= 21, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 242, 243, 244,
 &end
#
#   12 ILE  MG2          12 ILE  HA          3.50    (#    280:21  Unique         2.26, 3.07 A)
 &rst
  ixpk= 280, nxpk= 21, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 175, 176, 177,
 &end
#
#    9 ILE  MG2          12 ILE  HA          4.50    (#    281:21  Unique         3.52, 4.05 A)
 &rst
  ixpk= 281, nxpk= 21, iat=  -1, 171, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 &end
#
#   12 ILE  HN           12 ILE  HB          4.50    (#    282:21  Unique         2.76, 2.80 A)
 &rst
  ixpk= 282, nxpk= 21, iat= 169, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 LEU  HN           84 LEU  HB-         6.00    (#    283:21  Unique         2.73, 3.23 A)
 &rst
  ixpk= 283, nxpk= 21, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1228,1229,
 &end
#
#   12 ILE  HA           12 ILE  HB          4.50    (#    284:21  Unique         3.01, 3.02 A)
 &rst
  ixpk= 284, nxpk= 21, iat= 171, 173, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   84 LEU  HA           84 LEU  HB-         4.50    (#    285:21  Unique         2.26, 2.57 A)
 &rst
  ixpk= 285, nxpk= 21, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1228,1229,
 &end
#
#    0 AMB  21-2:287     12 ILE  HB          2.80    (#    287:21  Single Ambig)
 &rst
  ixpk= 287, nxpk= 21, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 182, 183, 184, 175, 176, 177,
 &end
#
#    9 ILE  MG2          12 ILE  HB          6.00    (#    288:21  Unique         4.64, 5.19 A)
 &rst
  ixpk= 288, nxpk= 21, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#    0 AMB  21-2:289      0 AMB  21-1:289    2.80    (#    289:21  Double Ambig)
 &rst
  ixpk= 289, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 171, 836,
 igr2= 175, 176, 177, 490, 491, 492, 494, 495, 496,
 &end
#
#    0 AMB  21-2:290      0 AMB  21-1:290    3.50    (#    290:21  Double Ambig)
 &rst
  ixpk= 290, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 845, 188,
 igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
 &end
#
#   35 SER  HB-          12 ILE  MG2         4.50    (#    291:21  Unique         2.23, 3.71 A)
 &rst
  ixpk= 291, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 511, 512,
 igr2= 175, 176, 177,
 &end
#
#   12 ILE  HN           12 ILE  HG1-        6.00    (#    292:21  Unique         3.00, 3.76 A)
 &rst
  ixpk= 292, nxpk= 21, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   12 ILE  HN           12 ILE  HG1+        6.00    (#    293:21  Unique         3.00, 3.76 A)
 &rst
  ixpk= 293, nxpk= 21, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   12 ILE  HA           12 ILE  HG1-        4.50    (#    294:21  Unique         2.47, 2.85 A)
 &rst
  ixpk= 294, nxpk= 21, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#   12 ILE  HA           12 ILE  HG1+        6.00    (#    295:21  Unique         2.47, 2.85 A)
 &rst
  ixpk= 295, nxpk= 21, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   12 ILE  HB           12 ILE  HG1+        4.50    (#    297:21  Unique         2.77, 2.85 A)
 &rst
  ixpk= 297, nxpk= 21, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 179, 180,
 &end
#
#    0 AMB  21-2:299      0 AMB  21-1:299    2.80    (#    299:21  Double Ambig)
 &rst
  ixpk= 299, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 175, 176, 177, 182, 183, 184,
 igr2= 179, 180, 179, 180,
 &end
#
#   12 ILE  MD1          12 ILE  HG1-        2.80    (#    300:21  Unique         2.22, 2.62 A)
 &rst
  ixpk= 300, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 182, 183, 184,
 igr2= 179, 180,
 &end
#
#   12 ILE  HN           12 ILE  MD1         6.00    (#    301:21  Unique         2.77, 4.08 A)
 &rst
  ixpk= 301, nxpk= 21, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   43 ARG  HN           12 ILE  MD1         4.50    (#    302:21  Unique         1.95, 3.55 A)
 &rst
  ixpk= 302, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 182, 183, 184,
 &end
#
#   44 VAL  HN           12 ILE  MD1         6.00    (#    303:21  Unique         2.02, 2.90 A)
 &rst
  ixpk= 303, nxpk= 21, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   36 CYS  HA           12 ILE  MD1         6.00    (#    304:21  Unique         5.49, 7.13 A)
 &rst
  ixpk= 304, nxpk= 21, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   12 ILE  HA           12 ILE  MD1         6.00    (#    305:21  Unique         4.13, 4.59 A)
 &rst
  ixpk= 305, nxpk= 21, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   42 PRO  HB+          12 ILE  MD1         4.50    (#    306:21  Unique         3.12, 4.28 A)
 &rst
  ixpk= 306, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 601, 602,
 igr2= 182, 183, 184,
 &end
#
#   43 ARG  HB+          12 ILE  MD1         6.00    (#    307:21  Unique         2.53, 4.78 A)
 &rst
  ixpk= 307, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 612, 613,
 igr2= 182, 183, 184,
 &end
#
#   12 ILE  HB           12 ILE  MD1         3.50    (#    308:21  Unique         2.06, 2.86 A)
 &rst
  ixpk= 308, nxpk= 21, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 182, 183, 184,
 &end
#
#   12 ILE  HG1-         12 ILE  MD1         2.80    (#    309:21  Unique         2.22, 2.62 A)
 &rst
  ixpk= 309, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 179, 180,
 igr2= 182, 183, 184,
 &end
#
#   13 ASP  HN           13 ASP  HB-         4.50    (#    310:21  Unique         2.35, 2.88 A)
 &rst
  ixpk= 310, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 192, 193,
 &end
#
#   13 ASP  HN           13 ASP  HB+         2.80    (#    311:21  Unique         2.35, 2.88 A)
 &rst
  ixpk= 311, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 192, 193,
 &end
#
#   14 GLY  HN           13 ASP  HB+         6.00    (#    312:21  Unique         3.55, 4.20 A)
 &rst
  ixpk= 312, nxpk= 21, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 192, 193,
 &end
#
#   14 GLY  HN           13 ASP  HB-         6.00    (#    313:21  Unique         3.55, 4.20 A)
 &rst
  ixpk= 313, nxpk= 21, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 192, 193,
 &end
#
#   13 ASP  HA           13 ASP  HB-         3.50    (#    314:21  Unique         2.37, 2.78 A)
 &rst
  ixpk= 314, nxpk= 21, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 192, 193,
 &end
#
#   13 ASP  HA           13 ASP  HB+         4.50    (#    315:21  Unique         2.37, 2.78 A)
 &rst
  ixpk= 315, nxpk= 21, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 192, 193,
 &end
#
#   14 GLY  HN           14 GLY  HA+         4.50    (#    318:21  Unique         2.30, 2.53 A)
 &rst
  ixpk= 318, nxpk= 21, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 202, 203,
 &end
#
#   14 GLY  HN           14 GLY  HA-         3.50    (#    319:21  Unique         2.30, 2.53 A)
 &rst
  ixpk= 319, nxpk= 21, iat= 200,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 202, 203,
 &end
#
#   15 ASN  HN           14 GLY  HA-         4.50    (#    320:21  Unique         2.14, 2.74 A)
 &rst
  ixpk= 320, nxpk= 21, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 202, 203,
 &end
#
#   15 ASN  HN           14 GLY  HA+         3.50    (#    321:21  Unique         2.14, 2.74 A)
 &rst
  ixpk= 321, nxpk= 21, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 202, 203,
 &end
#
#   16 GLN  HN           14 GLY  HA+         6.00    (#    322:21  Unique         3.35, 4.10 A)
 &rst
  ixpk= 322, nxpk= 21, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203,
 &end
#
#   16 GLN  HN           14 GLY  HA-         6.00    (#    323:21  Unique         3.35, 4.10 A)
 &rst
  ixpk= 323, nxpk= 21, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203,
 &end
#
#   13 ASP  HA           14 GLY  HA+         6.00    (#    324:21  Unique         4.38, 4.38 A)
 &rst
  ixpk= 324, nxpk= 21, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203,
 &end
#
#   13 ASP  HA           14 GLY  HA-         6.00    (#    325:21  Unique         4.38, 4.38 A)
 &rst
  ixpk= 325, nxpk= 21, iat= 190,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 202, 203,
 &end
#
#   12 ILE  MG2          14 GLY  HA+         6.00    (#    328:21  Unique         5.05, 6.31 A)
 &rst
  ixpk= 328, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 175, 176, 177,
 igr2= 202, 203,
 &end
#
#   12 ILE  MG2          14 GLY  HA-         6.00    (#    329:21  Unique         5.05, 6.31 A)
 &rst
  ixpk= 329, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 175, 176, 177,
 igr2= 202, 203,
 &end
#
#   15 ASN  HD2+         15 ASN  HB+         6.00    (#    330:21  Unique         2.12, 3.23 A)
 &rst
  ixpk= 330, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 216, 217,
 igr2= 211, 212,
 &end
#
#   15 ASN  HD2+         15 ASN  HB-         4.50    (#    331:21  Unique         2.12, 3.23 A)
 &rst
  ixpk= 331, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 216, 217,
 igr2= 211, 212,
 &end
#
#    0 AMB  21-2:336      0 AMB  21-1:336    6.00    (#    336:21  Double Ambig)
 &rst
  ixpk= 336, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 436, 437, 439,
 igr2= 211, 212, 211, 212,
 &end
#
#   31 THR  MG2          15 ASN  HB+         6.00    (#    337:21  Unique         2.10, 3.48 A)
 &rst
  ixpk= 337, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 457, 458, 459,
 igr2= 211, 212,
 &end
#
#   31 THR  MG2          15 ASN  HB-         6.00    (#    338:21  Unique         2.10, 3.48 A)
 &rst
  ixpk= 338, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 457, 458, 459,
 igr2= 211, 212,
 &end
#
#    0 AMB  21-2:339     15 ASN  HB-         6.00    (#    339:21  Single Ambig)
 &rst
  ixpk= 339, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 436, 437, 439,
 igr2= 211, 212,
 &end
#
#   17 ALA  HN           16 GLN  HB-         6.00    (#    340:21  Unique         2.32, 3.36 A)
 &rst
  ixpk= 340, nxpk= 21, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 225, 226,
 &end
#
#   17 ALA  HN           16 GLN  HB+         6.00    (#    341:21  Unique         2.32, 3.36 A)
 &rst
  ixpk= 341, nxpk= 21, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 225, 226,
 &end
#
#   16 GLN  HN           16 GLN  HB+         4.50    (#    342:21  Unique         2.39, 3.19 A)
 &rst
  ixpk= 342, nxpk= 21, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 225, 226,
 &end
#
#    0 AMB  21-2:343      0 AMB  21-1:343    4.50    (#    343:21  Double Ambig)
 &rst
  ixpk= 343, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1320, 221,
 igr2=1309,1310, 225, 226,
 &end
#
#    0 AMB  21-2:344      0 AMB  21-1:344    4.50    (#    344:21  Double Ambig)
 &rst
  ixpk= 344, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 422, 223,
 igr2= 225, 226, 225, 226,
 &end
#
#    0 AMB  21-2:345     16 GLN  HB-         4.50    (#    345:21  Single Ambig)
 &rst
  ixpk= 345, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 422, 223,
 igr2= 225, 226,
 &end
#
#   17 ALA  HN            0 AMB  21-1:346    6.00    (#    346:21  Single Ambig)
 &rst
  ixpk= 346, nxpk= 21, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 228, 229, 228, 229,
 &end
#
#   13 ASP  HN            0 AMB  21-1:347    6.00    (#    347:21  Single Ambig)
 &rst
  ixpk= 347, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 228, 229, 228, 229,
 &end
#
#   16 GLN  HN            0 AMB  21-1:348    4.50    (#    348:21  Single Ambig)
 &rst
  ixpk= 348, nxpk= 21, iat= 221,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 228, 229, 228, 229,
 &end
#
#    0 AMB  21-2:349      0 AMB  21-1:349    4.50    (#    349:21  Double Ambig)
 &rst
  ixpk= 349, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 233, 234, 233, 234,
 igr2= 228, 229, 228, 229,
 &end
#
#   16 GLN  HE2-          0 AMB  21-1:350    6.00    (#    350:21  Single Ambig)
 &rst
  ixpk= 350, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 233, 234,
 igr2= 228, 229, 228, 229,
 &end
#
#    0 AMB  21-2:351      0 AMB  21-1:351    3.50    (#    351:21  Double Ambig)
 &rst
  ixpk= 351, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 422, 223,
 igr2= 228, 229, 228, 229,
 &end
#
#   18 LYS  HN           17 ALA  HA          2.80    (#    353:21  Unique         2.47, 2.53 A)
 &rst
  ixpk= 353, nxpk= 21, iat= 248, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 ASP  HN           17 ALA  HA          4.50    (#    354:21  Unique         2.06, 2.19 A)
 &rst
  ixpk= 354, nxpk= 21, iat= 188, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HN           17 ALA  HA          6.00    (#    355:21  Unique         4.52, 4.56 A)
 &rst
  ixpk= 355, nxpk= 21, iat= 169, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HN           17 ALA  HA          4.50    (#    356:21  Unique         2.89, 2.91 A)
 &rst
  ixpk= 356, nxpk= 21, iat= 238, 240, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HA           17 ALA  HA          2.80    (#    358:21  Unique         2.13, 2.21 A)
 &rst
  ixpk= 358, nxpk= 21, iat= 171, 240, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   18 LYS  HB-          17 ALA  HA          6.00    (#    360:21  Unique         4.02, 4.65 A)
 &rst
  ixpk= 360, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 252, 253,
 &end
#
#   17 ALA  MB           17 ALA  HA          2.80    (#    361:21  Unique         2.28, 2.63 A)
 &rst
  ixpk= 361, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 242, 243, 244,
 &end
#
#   12 ILE  MG2          17 ALA  HA          4.50    (#    362:21  Unique         3.74, 4.74 A)
 &rst
  ixpk= 362, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 175, 176, 177,
 &end
#
#    9 ILE  MG2          17 ALA  HA          4.50    (#    363:21  Unique         4.08, 4.70 A)
 &rst
  ixpk= 363, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 &end
#
#   30 LEU  HN           17 ALA  MB          6.00    (#    365:21  Unique         5.23, 6.33 A)
 &rst
  ixpk= 365, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#   17 ALA  HN           17 ALA  MB          3.50    (#    366:21  Unique         2.29, 3.30 A)
 &rst
  ixpk= 366, nxpk= 21, iat= 238,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 242, 243, 244,
 &end
#
#   28 VAL  HN           17 ALA  MB          6.00    (#    367:21  Unique         4.68, 5.35 A)
 &rst
  ixpk= 367, nxpk= 21, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#   13 ASP  HN           17 ALA  MB          6.00    (#    368:21  Unique         3.38, 4.20 A)
 &rst
  ixpk= 368, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#   18 LYS  HN           17 ALA  MB          4.50    (#    369:21  Unique         2.02, 3.06 A)
 &rst
  ixpk= 369, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 242, 243, 244,
 &end
#
#   11 THR  HN           17 ALA  MB          6.00    (#    370:21  Unique         4.31, 5.39 A)
 &rst
  ixpk= 370, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#   17 ALA  HA           17 ALA  MB          2.80    (#    371:21  Unique         2.28, 2.63 A)
 &rst
  ixpk= 371, nxpk= 21, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 242, 243, 244,
 &end
#
#    0 AMB  21-2:372     17 ALA  MB          6.00    (#    372:21  Single Ambig)
 &rst
  ixpk= 372, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 223, 422,
 igr2= 242, 243, 244,
 &end
#
#   12 ILE  HA           17 ALA  MB          4.50    (#    373:21  Unique         2.02, 3.00 A)
 &rst
  ixpk= 373, nxpk= 21, iat= 171,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 242, 243, 244,
 &end
#
#   35 SER  HA           17 ALA  MB          6.00    (#    374:21  Unique         4.37, 5.58 A)
 &rst
  ixpk= 374, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#    9 ILE  HA           17 ALA  MB          6.00    (#    375:21  Unique         3.22, 4.22 A)
 &rst
  ixpk= 375, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 242, 243, 244,
 &end
#
#   30 LEU  HG           17 ALA  MB          4.50    (#    376:21  Unique         2.89, 3.84 A)
 &rst
  ixpk= 376, nxpk= 21, iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 242, 243, 244,
 &end
#
#   30 LEU  MDY          17 ALA  MB          3.50    (#    377:21  Unique         1.96, 3.64 A)
 &rst
  ixpk= 377, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 242, 243, 244,
 &end
#
#   19 VAL  HN           18 LYS  HA          2.80    (#    378:21  Unique         2.17, 2.17 A)
 &rst
  ixpk= 378, nxpk= 21, iat= 270, 250, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  21-2:379     18 LYS  HA          3.50    (#    379:21  Single Ambig)
 &rst
  ixpk= 379, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 252, 253, 358, 359,
 &end
#
#   18 LYS  HD-          18 LYS  HA          4.50    (#    380:21  Unique         3.91, 4.39 A)
 &rst
  ixpk= 380, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 258, 259,
 &end
#
#   18 LYS  HG-          18 LYS  HA          4.50    (#    381:21  Unique         2.07, 2.55 A)
 &rst
  ixpk= 381, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 255, 256,
 &end
#
#    0 AMB  21-2:382     18 LYS  HA          6.00    (#    382:21  Single Ambig)
 &rst
  ixpk= 382, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 261, 262, 261, 262,
 &end
#
#   18 LYS  HN           18 LYS  HB+         4.50    (#    383:21  Unique         2.52, 2.82 A)
 &rst
  ixpk= 383, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 252, 253,
 &end
#
#   18 LYS  HN           18 LYS  HB-         6.00    (#    384:21  Unique         2.52, 2.82 A)
 &rst
  ixpk= 384, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#   11 THR  HN           18 LYS  HB+         6.00    (#    385:21  Unique         3.32, 3.79 A)
 &rst
  ixpk= 385, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#   11 THR  HN           18 LYS  HB-         6.00    (#    386:21  Unique         3.32, 3.79 A)
 &rst
  ixpk= 386, nxpk= 21, iat= 155,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#   18 LYS  HA           18 LYS  HB-         4.50    (#    387:21  Unique         2.71, 2.84 A)
 &rst
  ixpk= 387, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 252, 253,
 &end
#
#   18 LYS  HA           18 LYS  HB+         6.00    (#    388:21  Unique         2.71, 2.84 A)
 &rst
  ixpk= 388, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#    0 AMB  21-2:389      0 AMB  21-1:389    6.00    (#    389:21  Double Ambig)
 &rst
  ixpk= 389, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 261, 262, 261, 262,
 igr2= 252, 253, 252, 253,
 &end
#
#    0 AMB  21-2:390     18 LYS  HB-         6.00    (#    390:21  Single Ambig)
 &rst
  ixpk= 390, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 261, 262, 261, 262,
 igr2= 252, 253,
 &end
#
#   18 LYS  HN           18 LYS  HG+         6.00    (#    393:21  Unique         4.32, 4.55 A)
 &rst
  ixpk= 393, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   18 LYS  HN           18 LYS  HG-         6.00    (#    394:21  Unique         4.32, 4.55 A)
 &rst
  ixpk= 394, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   26 ARG  HN           18 LYS  HG+         6.00    (#    395:21  Unique         3.44, 4.47 A)
 &rst
  ixpk= 395, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   26 ARG  HN           18 LYS  HG-         6.00    (#    396:21  Unique         3.44, 4.47 A)
 &rst
  ixpk= 396, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   18 LYS  HA           18 LYS  HG+         6.00    (#    397:21  Unique         2.07, 2.55 A)
 &rst
  ixpk= 397, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   18 LYS  HA           18 LYS  HG-         6.00    (#    398:21  Unique         2.07, 2.55 A)
 &rst
  ixpk= 398, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#    0 AMB  21-2:399      0 AMB  21-1:399    4.50    (#    399:21  Double Ambig)
 &rst
  ixpk= 399, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 261, 262,
 igr2= 255, 256, 255, 256,
 &end
#
#    0 AMB  21-2:400     18 LYS  HG-         4.50    (#    400:21  Single Ambig)
 &rst
  ixpk= 400, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 261, 262, 261, 262,
 igr2= 255, 256,
 &end
#
#    0 AMB  21-2:401      0 AMB  21-1:401    4.50    (#    401:21  Double Ambig)
 &rst
  ixpk= 401, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 358, 359, 355, 356, 252, 253,
 igr2= 255, 256, 255, 256, 255, 256,
 &end
#
#    0 AMB  21-2:402     18 LYS  HG-         4.50    (#    402:21  Single Ambig)
 &rst
  ixpk= 402, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 358, 359, 355, 356, 252, 253,
 igr2= 255, 256,
 &end
#
#    0 AMB  21-2:403     18 LYS  HD-         6.00    (#    403:21  Single Ambig)
 &rst
  ixpk= 403, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 368, 270,
 igr2= 258, 259,
 &end
#
#   18 LYS  HA           18 LYS  HD-         4.50    (#    407:21  Unique         3.91, 4.39 A)
 &rst
  ixpk= 407, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 258, 259,
 &end
#
#   18 LYS  HA           18 LYS  HD+         4.50    (#    408:21  Unique         3.91, 4.39 A)
 &rst
  ixpk= 408, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 258, 259,
 &end
#
#    0 AMB  21-2:410     18 LYS  HD-         4.50    (#    410:21  Single Ambig)
 &rst
  ixpk= 410, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 261, 262, 261, 262,
 igr2= 258, 259,
 &end
#
#    0 AMB  21-2:411      0 AMB  21-1:411    4.50    (#    411:21  Double Ambig)
 &rst
  ixpk= 411, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 261, 262, 261, 262,
 igr2= 258, 259, 258, 259,
 &end
#
#   18 LYS  HD-           0 AMB  21-1:415    4.50    (#    415:21  Single Ambig)
 &rst
  ixpk= 415, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 258, 259,
 igr2= 261, 262, 261, 262,
 &end
#
#    0 AMB  21-2:416      0 AMB  21-1:416    2.80    (#    416:21  Double Ambig)
 &rst
  ixpk= 416, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 255, 256, 258, 259,
 igr2= 261, 262, 261, 262,
 &end
#
#    0 AMB  21-2:417      0 AMB  21-1:417    6.00    (#    417:21  Double Ambig)
 &rst
  ixpk= 417, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 355, 356, 355, 356,
 igr2= 261, 262, 261, 262,
 &end
#
#   18 LYS  HA            0 AMB  21-1:418    6.00    (#    418:21  Single Ambig)
 &rst
  ixpk= 418, nxpk= 21, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 261, 262, 261, 262,
 &end
#
#    9 ILE  HA           19 VAL  HA          3.50    (#    420:21  Unique         2.78, 2.84 A)
 &rst
  ixpk= 420, nxpk= 21, iat= 114, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 VAL  HB           19 VAL  HA          3.50    (#    421:21  Unique         2.79, 2.82 A)
 &rst
  ixpk= 421, nxpk= 21, iat= 274, 272, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 VAL  MGY          19 VAL  HA          3.50    (#    422:21  Unique         1.95, 3.23 A)
 &rst
  ixpk= 422, nxpk= 21, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGX          19 VAL  HA          4.50    (#    423:21  Unique         1.95, 3.23 A)
 &rst
  ixpk= 423, nxpk= 21, iat=  -1, 272, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   20 ASP  HN           19 VAL  HA          2.80    (#    424:21  Unique         2.15, 2.17 A)
 &rst
  ixpk= 424, nxpk= 21, iat= 286, 272, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 VAL  HN           19 VAL  HA          4.50    (#    425:21  Unique         2.87, 2.87 A)
 &rst
  ixpk= 425, nxpk= 21, iat= 270, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ARG  HN           19 VAL  HA          4.50    (#    426:21  Unique         4.11, 4.17 A)
 &rst
  ixpk= 426, nxpk= 21, iat= 131, 272, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 VAL  HN           19 VAL  HB          3.50    (#    427:21  Unique         2.14, 2.15 A)
 &rst
  ixpk= 427, nxpk= 21, iat= 270, 274, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   20 ASP  HN           19 VAL  HB          6.00    (#    428:21  Unique         4.36, 4.41 A)
 &rst
  ixpk= 428, nxpk= 21, iat= 286, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HA           19 VAL  HB          6.00    (#    429:21  Unique         4.27, 4.27 A)
 &rst
  ixpk= 429, nxpk= 21, iat= 250, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HA           19 VAL  HB          6.00    (#    430:21  Unique         2.79, 2.82 A)
 &rst
  ixpk= 430, nxpk= 21, iat= 272, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HA           19 VAL  HB          6.00    (#    431:21  Unique         4.79, 4.93 A)
 &rst
  ixpk= 431, nxpk= 21, iat= 114, 274, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:433     19 VAL  HB          3.50    (#    433:21  Single Ambig)
 &rst
  ixpk= 433, nxpk= 21, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416, 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGX          19 VAL  HB          3.50    (#    434:21  Unique         2.23, 2.63 A)
 &rst
  ixpk= 434, nxpk= 21, iat=  -1, 274, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    7 GLY  HN           19 VAL  MGX         6.00    (#    435:21  Unique         2.05, 3.83 A)
 &rst
  ixpk= 435, nxpk= 21, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:436     19 VAL  MGX         4.50    (#    436:21  Single Ambig)
 &rst
  ixpk= 436, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 270,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   20 ASP  HN           19 VAL  MGX         4.50    (#    437:21  Unique         2.84, 3.91 A)
 &rst
  ixpk= 437, nxpk= 21, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    8 GLN  HN           19 VAL  MGX         4.50    (#    438:21  Unique         3.17, 4.44 A)
 &rst
  ixpk= 438, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    7 GLY  HA+          19 VAL  MGX         4.50    (#    439:21  Unique         1.86, 3.80 A)
 &rst
  ixpk= 439, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  90,  91,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  HA           19 VAL  MGX         2.80    (#    440:21  Unique         1.95, 3.23 A)
 &rst
  ixpk= 440, nxpk= 21, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    9 ILE  HA           19 VAL  MGX         4.50    (#    441:21  Unique         3.27, 5.35 A)
 &rst
  ixpk= 441, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    7 GLY  HA-          19 VAL  MGX         3.50    (#    442:21  Unique         1.86, 3.80 A)
 &rst
  ixpk= 442, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=  90,  91,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:443     19 VAL  MGX         6.00    (#    443:21  Single Ambig)
 &rst
  ixpk= 443, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 700, 302,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:444     19 VAL  MGX         6.00    (#    444:21  Single Ambig)
 &rst
  ixpk= 444, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 290, 291,  81,  82,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:445     19 VAL  MGX         2.80    (#    445:21  Single Ambig)
 &rst
  ixpk= 445, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 274, 122, 123,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:446     19 VAL  MGY         4.50    (#    446:21  Single Ambig)
 &rst
  ixpk= 446, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 368, 270,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   28 VAL  HN           19 VAL  MGY         6.00    (#    447:21  Unique         5.63, 6.89 A)
 &rst
  ixpk= 447, nxpk= 21, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   10 ARG  HN           19 VAL  MGY         6.00    (#    448:21  Unique         4.96, 6.80 A)
 &rst
  ixpk= 448, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   29 ASP  HN            0 AMB  21-1:449    4.50    (#    449:21  Single Ambig)
 &rst
  ixpk= 449, nxpk= 21, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   55 ALA  HN            0 AMB  21-1:450    6.00    (#    450:21  Single Ambig)
 &rst
  ixpk= 450, nxpk= 21, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   54 PHE  HA            0 AMB  21-1:451    3.50    (#    451:21  Single Ambig)
 &rst
  ixpk= 451, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   19 VAL  HA           19 VAL  MGY         3.50    (#    453:21  Unique         1.95, 3.23 A)
 &rst
  ixpk= 453, nxpk= 21, iat= 272,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    9 ILE  HA           19 VAL  MGY         3.50    (#    454:21  Unique         3.27, 5.35 A)
 &rst
  ixpk= 454, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   50 VAL  HB            0 AMB  21-1:455    4.50    (#    455:21  Single Ambig)
 &rst
  ixpk= 455, nxpk= 21, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   19 VAL  HB           19 VAL  MGY         2.80    (#    456:21  Unique         2.23, 2.63 A)
 &rst
  ixpk= 456, nxpk= 21, iat= 274,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  21-2:457      0 AMB  21-1:457    4.50    (#    457:21  Double Ambig)
 &rst
  ixpk= 457, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 811, 812, 813, 242, 243, 244,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   26 ARG  HN           20 ASP  HA          3.50    (#    458:21  Unique         3.55, 3.61 A)
 &rst
  ixpk= 458, nxpk= 21, iat= 368, 288, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HN           20 ASP  HA          2.80    (#    459:21  Unique         2.14, 2.14 A)
 &rst
  ixpk= 459, nxpk= 21, iat= 298, 288, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  21-2:460     20 ASP  HA          6.00    (#    460:21  Single Ambig)
 &rst
  ixpk= 460, nxpk= 21, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 332, 155,
 &end
#
#   20 ASP  HB+          20 ASP  HA          4.50    (#    461:21  Unique         2.46, 2.75 A)
 &rst
  ixpk= 461, nxpk= 21, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 290, 291,
 &end
#
#   25 GLN  HG+          20 ASP  HA          3.50    (#    462:21  Unique         1.92, 2.44 A)
 &rst
  ixpk= 462, nxpk= 21, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 358, 359,
 &end
#
#   25 GLN  HG-          20 ASP  HA          4.50    (#    463:21  Unique         1.92, 2.44 A)
 &rst
  ixpk= 463, nxpk= 21, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 358, 359,
 &end
#
#   78 GLU  HA           78 GLU  HB-         4.50    (#    464:21  Unique         2.30, 2.67 A)
 &rst
  ixpk= 464, nxpk= 21, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1154,1155,
 &end
#
#   20 ASP  HN           20 ASP  HB+         2.80    (#    465:21  Unique         2.49, 2.58 A)
 &rst
  ixpk= 465, nxpk= 21, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 290, 291,
 &end
#
#   20 ASP  HN           20 ASP  HB-         3.50    (#    466:21  Unique         2.49, 2.58 A)
 &rst
  ixpk= 466, nxpk= 21, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#    8 GLN  HN           20 ASP  HB-         6.00    (#    467:21  Unique         1.92, 2.57 A)
 &rst
  ixpk= 467, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 290, 291,
 &end
#
#    8 GLN  HN           20 ASP  HB+         4.50    (#    468:21  Unique         1.92, 2.57 A)
 &rst
  ixpk= 468, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 290, 291,
 &end
#
#   20 ASP  HA           20 ASP  HB-         3.50    (#    469:21  Unique         2.46, 2.75 A)
 &rst
  ixpk= 469, nxpk= 21, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 290, 291,
 &end
#
#    0 AMB  21-2:472      0 AMB  21-1:472    6.00    (#    472:21  Double Ambig)
 &rst
  ixpk= 472, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 138, 139, 138, 139,
 igr2= 290, 291, 290, 291,
 &end
#
#    0 AMB  21-2:473     20 ASP  HB-         4.50    (#    473:21  Single Ambig)
 &rst
  ixpk= 473, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 138, 139,
 igr2= 290, 291,
 &end
#
#    8 GLN  HB+          20 ASP  HB+         6.00    (#    474:21  Unique         2.53, 3.02 A)
 &rst
  ixpk= 474, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 290, 291,
 &end
#
#    8 GLN  HB+          20 ASP  HB-         6.00    (#    475:21  Unique         2.53, 3.02 A)
 &rst
  ixpk= 475, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 290, 291,
 &end
#
#    8 GLN  HB-          20 ASP  HB+         6.00    (#    476:21  Unique         2.53, 3.02 A)
 &rst
  ixpk= 476, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 290, 291,
 &end
#
#    8 GLN  HB-          20 ASP  HB-         6.00    (#    477:21  Unique         2.53, 3.02 A)
 &rst
  ixpk= 477, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 290, 291,
 &end
#
#   22 CYS  HN           21 VAL  HA          2.80    (#    478:21  Unique         2.33, 2.36 A)
 &rst
  ixpk= 478, nxpk= 21, iat= 314, 300, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  HN           21 VAL  HA          4.50    (#    479:21  Unique         2.94, 2.94 A)
 &rst
  ixpk= 479, nxpk= 21, iat= 298, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HB           21 VAL  HA          4.50    (#    480:21  Unique         2.57, 2.99 A)
 &rst
  ixpk= 480, nxpk= 21, iat= 302, 300, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  MGY          21 VAL  HA          3.50    (#    481:21  Unique         2.13, 3.13 A)
 &rst
  ixpk= 481, nxpk= 21, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  MGX          21 VAL  HA          3.50    (#    482:21  Unique         2.13, 3.13 A)
 &rst
  ixpk= 482, nxpk= 21, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HN           21 VAL  HB          4.50    (#    483:21  Unique         2.71, 2.78 A)
 &rst
  ixpk= 483, nxpk= 21, iat= 298, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HA           21 VAL  HB          4.50    (#    484:21  Unique         2.57, 2.99 A)
 &rst
  ixpk= 484, nxpk= 21, iat= 300, 302, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ARG  HB-          21 VAL  HB          6.00    (#    485:21  Unique         4.83, 5.54 A)
 &rst
  ixpk= 485, nxpk= 21, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 372, 373,
 &end
#
#   24 ILE  HN           21 VAL  HB          6.00    (#    486:21  Unique         2.03, 2.18 A)
 &rst
  ixpk= 486, nxpk= 21, iat= 332, 302, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HN           44 VAL  MGY         3.50    (#    487:21  Unique         2.11, 3.50 A)
 &rst
  ixpk= 487, nxpk= 21, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   45 GLY  HN           44 VAL  MGY         4.50    (#    488:21  Unique         1.94, 3.98 A)
 &rst
  ixpk= 488, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   21 VAL  HA           21 VAL  MGY         3.50    (#    489:21  Unique         2.13, 3.13 A)
 &rst
  ixpk= 489, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   44 VAL  HA           44 VAL  MGY         3.50    (#    490:21  Unique         2.10, 3.39 A)
 &rst
  ixpk= 490, nxpk= 21, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   42 PRO  HB+          44 VAL  MGY         6.00    (#    491:21  Unique         1.99, 4.43 A)
 &rst
  ixpk= 491, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 601, 602,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#    0 AMB  21-2:492     44 VAL  MGY         3.50    (#    492:21  Single Ambig)
 &rst
  ixpk= 492, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602, 636,
 igr2= 638, 639, 640, 642, 643, 644,
 &end
#
#   22 CYS  HN           21 VAL  MGX         6.00    (#    493:21  Unique         1.94, 3.77 A)
 &rst
  ixpk= 493, nxpk= 21, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HN           21 VAL  MGX         4.50    (#    494:21  Unique         1.92, 3.91 A)
 &rst
  ixpk= 494, nxpk= 21, iat= 298,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#    8 GLN  HN           21 VAL  MGX         6.00    (#    495:21  Unique         5.10, 6.90 A)
 &rst
  ixpk= 495, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#    7 GLY  HA+          21 VAL  MGX         4.50    (#    496:21  Unique         3.11, 5.63 A)
 &rst
  ixpk= 496, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  90,  91,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HA           21 VAL  MGX         3.50    (#    497:21  Unique         2.13, 3.13 A)
 &rst
  ixpk= 497, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#    7 GLY  HA-          21 VAL  MGX         4.50    (#    498:21  Unique         3.11, 5.63 A)
 &rst
  ixpk= 498, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  90,  91,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   22 CYS  HB-          21 VAL  MGX         6.00    (#    499:21  Unique         3.04, 5.91 A)
 &rst
  ixpk= 499, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 318, 319,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HB           21 VAL  MGX         2.80    (#    500:21  Unique         2.24, 2.63 A)
 &rst
  ixpk= 500, nxpk= 21, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   26 ARG  HB-          21 VAL  MGX         4.50    (#    501:21  Unique         2.79, 5.28 A)
 &rst
  ixpk= 501, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 372, 373,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   22 CYS  HN           22 CYS  HA          2.80    (#    502:21  Unique         2.75, 2.76 A)
 &rst
  ixpk= 502, nxpk= 21, iat= 314, 316, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   23 GLY  HN           22 CYS  HA          4.50    (#    503:21  Unique         3.44, 3.48 A)
 &rst
  ixpk= 503, nxpk= 21, iat= 325, 316, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   23 GLY  HA+          22 CYS  HA          6.00    (#    504:21  Unique         4.63, 4.97 A)
 &rst
  ixpk= 504, nxpk= 21, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 327, 328,
 &end
#
#   22 CYS  HB+          22 CYS  HA          3.50    (#    505:21  Unique         2.39, 2.76 A)
 &rst
  ixpk= 505, nxpk= 21, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 318, 319,
 &end
#
#   22 CYS  HB-          22 CYS  HA          4.50    (#    506:21  Unique         2.39, 2.76 A)
 &rst
  ixpk= 506, nxpk= 21, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 318, 319,
 &end
#
#    0 AMB  21-2:507     22 CYS  HA          6.00    (#    507:21  Single Ambig)
 &rst
  ixpk= 507, nxpk= 21, iat=  -1, 316, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
      1008,1009,
 &end
#
#   22 CYS  HN           22 CYS  HB+         6.00    (#    508:21  Unique         2.26, 2.73 A)
 &rst
  ixpk= 508, nxpk= 21, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   22 CYS  HN           22 CYS  HB-         6.00    (#    509:21  Unique         2.26, 2.73 A)
 &rst
  ixpk= 509, nxpk= 21, iat= 314,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   22 CYS  HA           22 CYS  HB+         3.50    (#    510:21  Unique         2.39, 2.76 A)
 &rst
  ixpk= 510, nxpk= 21, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 318, 319,
 &end
#
#   22 CYS  HA           22 CYS  HB-         4.50    (#    511:21  Unique         2.39, 2.76 A)
 &rst
  ixpk= 511, nxpk= 21, iat= 316,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 318, 319,
 &end
#
#    0 AMB  21-2:514      0 AMB  21-1:514    6.00    (#    514:21  Double Ambig)
 &rst
  ixpk= 514, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
      1008,1009,
 igr2= 318, 319, 318, 319,
 &end
#
#    0 AMB  21-2:515     22 CYS  HB-         4.50    (#    515:21  Single Ambig)
 &rst
  ixpk= 515, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 304, 305, 306, 308, 309, 310,1003,1004,1005,1007,
      1008,1009,
 igr2= 318, 319,
 &end
#
#    0 AMB  21-2:516      0 AMB  21-1:516    4.50    (#    516:21  Double Ambig)
 &rst
  ixpk= 516, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 325, 529,
 igr2= 327, 328, 572, 573,
 &end
#
#   23 GLY  HN           23 GLY  HA-         3.50    (#    517:21  Unique         2.34, 2.63 A)
 &rst
  ixpk= 517, nxpk= 21, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 327, 328,
 &end
#
#   24 ILE  HN           23 GLY  HA+         6.00    (#    518:21  Unique         2.53, 3.15 A)
 &rst
  ixpk= 518, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 327, 328,
 &end
#
#   24 ILE  HN           23 GLY  HA-         6.00    (#    519:21  Unique         2.53, 3.15 A)
 &rst
  ixpk= 519, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 327, 328,
 &end
#
#   25 GLN  HN           24 ILE  HA          2.80    (#    522:21  Unique         2.22, 2.23 A)
 &rst
  ixpk= 522, nxpk= 21, iat= 351, 334, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 ILE  HN           24 ILE  HA          4.50    (#    523:21  Unique         2.78, 2.79 A)
 &rst
  ixpk= 523, nxpk= 21, iat= 332, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HB           24 ILE  HA          4.50    (#    524:21  Unique         2.78, 2.79 A)
 &rst
  ixpk= 524, nxpk= 21, iat= 336, 334, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HG1-         24 ILE  HA          6.00    (#    525:21  Unique         2.44, 2.98 A)
 &rst
  ixpk= 525, nxpk= 21, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 342, 343,
 &end
#
#   24 ILE  HG1+         24 ILE  HA          4.50    (#    526:21  Unique         2.44, 2.98 A)
 &rst
  ixpk= 526, nxpk= 21, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 342, 343,
 &end
#
#   24 ILE  MD1          24 ILE  HA          3.50    (#    527:21  Unique         2.02, 2.88 A)
 &rst
  ixpk= 527, nxpk= 21, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 345, 346, 347,
 &end
#
#   21 VAL  HN           24 ILE  HB          6.00    (#    528:21  Unique         5.86, 5.90 A)
 &rst
  ixpk= 528, nxpk= 21, iat= 298, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ILE  HN           24 ILE  HB          4.50    (#    529:21  Unique         3.08, 3.18 A)
 &rst
  ixpk= 529, nxpk= 21, iat= 332, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HA           24 ILE  HB          4.50    (#    530:21  Unique         2.78, 2.79 A)
 &rst
  ixpk= 530, nxpk= 21, iat= 334, 336, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HG1-         24 ILE  HB          3.50    (#    531:21  Unique         2.41, 2.46 A)
 &rst
  ixpk= 531, nxpk= 21, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 342, 343,
 &end
#
#   24 ILE  HG1+         24 ILE  HB          4.50    (#    532:21  Unique         2.41, 2.46 A)
 &rst
  ixpk= 532, nxpk= 21, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 342, 343,
 &end
#
#   24 ILE  MG2          24 ILE  HB          2.80    (#    533:21  Unique         2.41, 2.63 A)
 &rst
  ixpk= 533, nxpk= 21, iat=  -1, 336, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 338, 339, 340,
 &end
#
#   25 GLN  HN           24 ILE  MG2         3.50    (#    534:21  Unique         2.77, 3.74 A)
 &rst
  ixpk= 534, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 338, 339, 340,
 &end
#
#   24 ILE  HN           24 ILE  MG2         6.00    (#    535:21  Unique         3.38, 4.22 A)
 &rst
  ixpk= 535, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 338, 339, 340,
 &end
#
#   24 ILE  HA           24 ILE  MG2         3.50    (#    536:21  Unique         3.32, 3.72 A)
 &rst
  ixpk= 536, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 338, 339, 340,
 &end
#
#   26 ARG  HD+          24 ILE  MG2         6.00    (#    537:21  Unique         2.04, 3.50 A)
 &rst
  ixpk= 537, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 378, 379,
 igr2= 338, 339, 340,
 &end
#
#   26 ARG  HD-          24 ILE  MG2         6.00    (#    538:21  Unique         2.04, 3.50 A)
 &rst
  ixpk= 538, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 378, 379,
 igr2= 338, 339, 340,
 &end
#
#   24 ILE  HB           24 ILE  MG2         2.80    (#    539:21  Unique         2.41, 2.63 A)
 &rst
  ixpk= 539, nxpk= 21, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 338, 339, 340,
 &end
#
#   25 GLN  HN           24 ILE  HG1-        6.00    (#    540:21  Unique         3.84, 4.04 A)
 &rst
  ixpk= 540, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 342, 343,
 &end
#
#   25 GLN  HN           24 ILE  HG1+        6.00    (#    541:21  Unique         3.84, 4.04 A)
 &rst
  ixpk= 541, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 342, 343,
 &end
#
#   24 ILE  HN           24 ILE  HG1-        6.00    (#    542:21  Unique         4.50, 4.91 A)
 &rst
  ixpk= 542, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 342, 343,
 &end
#
#   24 ILE  HN           24 ILE  HG1+        6.00    (#    543:21  Unique         4.50, 4.91 A)
 &rst
  ixpk= 543, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 342, 343,
 &end
#
#   24 ILE  HA           24 ILE  HG1-        4.50    (#    544:21  Unique         2.44, 2.98 A)
 &rst
  ixpk= 544, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 342, 343,
 &end
#
#   24 ILE  HA           24 ILE  HG1+        4.50    (#    545:21  Unique         2.44, 2.98 A)
 &rst
  ixpk= 545, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 342, 343,
 &end
#
#   24 ILE  HB           24 ILE  HG1-        4.50    (#    546:21  Unique         2.41, 2.46 A)
 &rst
  ixpk= 546, nxpk= 21, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 342, 343,
 &end
#
#   24 ILE  HB           24 ILE  HG1+        6.00    (#    547:21  Unique         2.41, 2.46 A)
 &rst
  ixpk= 547, nxpk= 21, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 342, 343,
 &end
#
#    0 AMB  21-2:550      0 AMB  21-1:550    2.80    (#    550:21  Double Ambig)
 &rst
  ixpk= 550, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.76, r4= 5.26,
 igr1= 345, 346, 347, 338, 339, 340,
 igr2= 342, 343, 342, 343,
 &end
#
#    0 AMB  21-2:551     24 ILE  HG1-        2.80    (#    551:21  Single Ambig)
 &rst
  ixpk= 551, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 345, 346, 347, 338, 339, 340,
 igr2= 342, 343,
 &end
#
#   24 ILE  HA           24 ILE  MD1         4.50    (#    552:21  Unique         2.02, 2.88 A)
 &rst
  ixpk= 552, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 345, 346, 347,
 &end
#
#   24 ILE  HN           24 ILE  MD1         6.00    (#    553:21  Unique         4.74, 5.36 A)
 &rst
  ixpk= 553, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 345, 346, 347,
 &end
#
#   24 ILE  HB           24 ILE  MD1         4.50    (#    554:21  Unique         3.64, 3.92 A)
 &rst
  ixpk= 554, nxpk= 21, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 345, 346, 347,
 &end
#
#   24 ILE  HG1-         24 ILE  MD1         3.50    (#    555:21  Unique         2.26, 2.62 A)
 &rst
  ixpk= 555, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 342, 343,
 igr2= 345, 346, 347,
 &end
#
#   26 ARG  HN           25 GLN  HA          3.50    (#    556:21  Unique         2.14, 2.15 A)
 &rst
  ixpk= 556, nxpk= 21, iat= 368, 353, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:557     25 GLN  HA          4.50    (#    557:21  Single Ambig)
 &rst
  ixpk= 557, nxpk= 21, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 358, 359, 355, 356,
 &end
#
#   25 GLN  HG+          25 GLN  HA          6.00    (#    558:21  Unique         2.17, 2.57 A)
 &rst
  ixpk= 558, nxpk= 21, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#   26 ARG  HN           25 GLN  HB+         6.00    (#    559:21  Unique         3.68, 4.24 A)
 &rst
  ixpk= 559, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 356,
 &end
#
#   26 ARG  HN           25 GLN  HB-         6.00    (#    560:21  Unique         3.68, 4.24 A)
 &rst
  ixpk= 560, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 356,
 &end
#
#   25 GLN  HN           25 GLN  HB+         3.50    (#    561:21  Unique         2.08, 2.65 A)
 &rst
  ixpk= 561, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 355, 356,
 &end
#
#   25 GLN  HN           25 GLN  HB-         4.50    (#    562:21  Unique         2.08, 2.65 A)
 &rst
  ixpk= 562, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 355, 356,
 &end
#
#    0 AMB  21-2:563      0 AMB  21-1:563    4.50    (#    563:21  Double Ambig)
 &rst
  ixpk= 563, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 353,1104,
 igr2= 355, 356,1154,1155,
 &end
#
#   25 GLN  HA           25 GLN  HB-         4.50    (#    564:21  Unique         2.61, 2.83 A)
 &rst
  ixpk= 564, nxpk= 21, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 355, 356,
 &end
#
#   26 ARG  HN           25 GLN  HG+         6.00    (#    566:21  Unique         3.30, 3.92 A)
 &rst
  ixpk= 566, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 358, 359,
 &end
#
#   47 TRP  HN            0 AMB  21-1:567    4.50    (#    567:21  Single Ambig)
 &rst
  ixpk= 567, nxpk= 21, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 662, 663, 662, 663,
 &end
#
#    0 AMB  21-2:568      0 AMB  21-1:568    6.00    (#    568:21  Double Ambig)
 &rst
  ixpk= 568, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 286, 351,
 igr2= 358, 359, 358, 359,
 &end
#
#   25 GLN  HE2+         25 GLN  HG+         3.50    (#    569:21  Unique         2.65, 3.52 A)
 &rst
  ixpk= 569, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 363, 364,
 igr2= 358, 359,
 &end
#
#    0 AMB  21-2:570      0 AMB  21-1:570    4.50    (#    570:21  Double Ambig)
 &rst
  ixpk= 570, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 667, 668, 667, 668,
 igr2= 662, 663, 662, 663,
 &end
#
#    0 AMB  21-2:571      0 AMB  21-1:571    3.50    (#    571:21  Double Ambig)
 &rst
  ixpk= 571, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 288, 657,
 igr2= 358, 359, 662, 663, 662, 663,
 &end
#
#   25 GLN  HA           25 GLN  HG+         4.50    (#    572:21  Unique         2.17, 2.57 A)
 &rst
  ixpk= 572, nxpk= 21, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 358, 359,
 &end
#
#   26 ARG  HN           26 ARG  HB+         6.00    (#    573:21  Unique         2.42, 3.06 A)
 &rst
  ixpk= 573, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 372, 373,
 &end
#
#   26 ARG  HN           26 ARG  HB-         4.50    (#    574:21  Unique         2.42, 3.06 A)
 &rst
  ixpk= 574, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 372, 373,
 &end
#
#   27 ASP  HN           26 ARG  HB+         4.50    (#    575:21  Unique         2.06, 2.87 A)
 &rst
  ixpk= 575, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 372, 373,
 &end
#
#   27 ASP  HN           26 ARG  HB-         6.00    (#    576:21  Unique         2.06, 2.87 A)
 &rst
  ixpk= 576, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 372, 373,
 &end
#
#   26 ARG  HA           26 ARG  HB+         4.50    (#    577:21  Unique         2.47, 2.75 A)
 &rst
  ixpk= 577, nxpk= 21, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 372, 373,
 &end
#
#   26 ARG  HA           26 ARG  HB-         4.50    (#    578:21  Unique         2.47, 2.75 A)
 &rst
  ixpk= 578, nxpk= 21, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 372, 373,
 &end
#
#   26 ARG  HD-          26 ARG  HB+         6.00    (#    579:21  Unique         2.35, 3.60 A)
 &rst
  ixpk= 579, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 378, 379,
 igr2= 372, 373,
 &end
#
#   26 ARG  HD+          26 ARG  HB+         6.00    (#    580:21  Unique         2.35, 3.60 A)
 &rst
  ixpk= 580, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 378, 379,
 igr2= 372, 373,
 &end
#
#   26 ARG  HD-          26 ARG  HB-         6.00    (#    581:21  Unique         2.35, 3.60 A)
 &rst
  ixpk= 581, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 378, 379,
 igr2= 372, 373,
 &end
#
#   26 ARG  HD+          26 ARG  HB-         6.00    (#    582:21  Unique         2.35, 3.60 A)
 &rst
  ixpk= 582, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 378, 379,
 igr2= 372, 373,
 &end
#
#   21 VAL  MGX          26 ARG  HB-         6.00    (#    585:21  Unique         2.79, 5.28 A)
 &rst
  ixpk= 585, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 304, 305, 306, 308, 309, 310,
 igr2= 372, 373,
 &end
#
#    0 AMB  21-2:586     26 ARG  HB-         4.50    (#    586:21  Single Ambig)
 &rst
  ixpk= 586, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
       415, 416,
 igr2= 372, 373,
 &end
#
#    0 AMB  21-2:587      0 AMB  21-1:587    6.00    (#    587:21  Double Ambig)
 &rst
  ixpk= 587, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
       415, 416,
 igr2= 372, 373, 372, 373,
 &end
#
#   21 VAL  MGX          26 ARG  HB+         4.50    (#    588:21  Unique         2.79, 5.28 A)
 &rst
  ixpk= 588, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 304, 305, 306, 308, 309, 310,
 igr2= 372, 373,
 &end
#
#   26 ARG  HN            0 AMB  21-1:589    4.50    (#    589:21  Single Ambig)
 &rst
  ixpk= 589, nxpk= 21, iat= 368,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 375, 376, 375, 376,
 &end
#
#   27 ASP  HN            0 AMB  21-1:590    6.00    (#    590:21  Single Ambig)
 &rst
  ixpk= 590, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 375, 376, 375, 376,
 &end
#
#   26 ARG  HA            0 AMB  21-1:591    4.50    (#    591:21  Single Ambig)
 &rst
  ixpk= 591, nxpk= 21, iat= 370,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 375, 376, 375, 376,
 &end
#
#    0 AMB  21-2:592      0 AMB  21-1:592    4.50    (#    592:21  Double Ambig)
 &rst
  ixpk= 592, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 378, 379, 378, 379,
 igr2= 375, 376, 375, 376,
 &end
#
#   26 ARG  HD-           0 AMB  21-1:593    6.00    (#    593:21  Single Ambig)
 &rst
  ixpk= 593, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 378, 379,
 igr2= 375, 376, 375, 376,
 &end
#
#   21 VAL  HB            0 AMB  21-1:594    6.00    (#    594:21  Single Ambig)
 &rst
  ixpk= 594, nxpk= 21, iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 375, 376, 375, 376,
 &end
#
#   21 VAL  MGX           0 AMB  21-1:595    4.50    (#    595:21  Single Ambig)
 &rst
  ixpk= 595, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 304, 305, 306, 308, 309, 310,
 igr2= 375, 376, 375, 376,
 &end
#
#   10 ARG  HA           10 ARG  HD+         3.50    (#    596:21  Unique         2.38, 3.30 A)
 &rst
  ixpk= 596, nxpk= 21, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 141, 142,
 &end
#
#   10 ARG  HA           10 ARG  HD-         4.50    (#    597:21  Unique         2.38, 3.30 A)
 &rst
  ixpk= 597, nxpk= 21, iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 141, 142,
 &end
#
#    0 AMB  21-2:600      0 AMB  21-1:600    4.50    (#    600:21  Double Ambig)
 &rst
  ixpk= 600, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 135, 136, 135, 136,
 igr2= 141, 142, 141, 142,
 &end
#
#    0 AMB  21-2:601      0 AMB  21-1:601    4.50    (#    601:21  Double Ambig)
 &rst
  ixpk= 601, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 135, 136, 135, 136,1324,1325,
 igr2= 141, 142,1333,1334,1333,1334,
 &end
#
#    0 AMB  21-2:602     10 ARG  HD-         4.50    (#    602:21  Single Ambig)
 &rst
  ixpk= 602, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 138, 139, 138, 139,
 igr2= 141, 142,
 &end
#
#    0 AMB  21-2:603      0 AMB  21-1:603    3.50    (#    603:21  Double Ambig)
 &rst
  ixpk= 603, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 138, 139, 138, 139,
 igr2= 141, 142, 141, 142,
 &end
#
#   28 VAL  HN           27 ASP  HA          2.80    (#    604:21  Unique         2.14, 2.18 A)
 &rst
  ixpk= 604, nxpk= 21, iat= 404, 394, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   19 VAL  HN           27 ASP  HA          6.00    (#    605:21  Unique         3.42, 3.63 A)
 &rst
  ixpk= 605, nxpk= 21, iat= 270, 394, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HN           27 ASP  HA          4.50    (#    606:21  Unique         2.88, 2.92 A)
 &rst
  ixpk= 606, nxpk= 21, iat= 392, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   27 ASP  HB+          27 ASP  HA          2.80    (#    607:21  Unique         2.31, 2.56 A)
 &rst
  ixpk= 607, nxpk= 21, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 396, 397,
 &end
#
#    0 AMB  21-2:608     27 ASP  HA          4.50    (#    608:21  Single Ambig)
 &rst
  ixpk= 608, nxpk= 21, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 258, 259, 408,
 &end
#
#   18 LYS  HG-          27 ASP  HA          6.00    (#    609:21  Unique         2.44, 3.18 A)
 &rst
  ixpk= 609, nxpk= 21, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 255, 256,
 &end
#
#    0 AMB  21-2:610     27 ASP  HA          4.50    (#    610:21  Single Ambig)
 &rst
  ixpk= 610, nxpk= 21, iat=  -1, 394, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   28 VAL  HN           27 ASP  HB+         6.00    (#    611:21  Unique         2.91, 3.72 A)
 &rst
  ixpk= 611, nxpk= 21, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 396, 397,
 &end
#
#   28 VAL  HN           27 ASP  HB-         6.00    (#    612:21  Unique         2.91, 3.72 A)
 &rst
  ixpk= 612, nxpk= 21, iat= 404,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 396, 397,
 &end
#
#   27 ASP  HN           27 ASP  HB-         4.50    (#    613:21  Unique         2.30, 3.17 A)
 &rst
  ixpk= 613, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 396, 397,
 &end
#
#   27 ASP  HN           27 ASP  HB+         4.50    (#    614:21  Unique         2.30, 3.17 A)
 &rst
  ixpk= 614, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 396, 397,
 &end
#
#   27 ASP  HA           27 ASP  HB-         4.50    (#    615:21  Unique         2.31, 2.56 A)
 &rst
  ixpk= 615, nxpk= 21, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 396, 397,
 &end
#
#   27 ASP  HA           27 ASP  HB+         4.50    (#    616:21  Unique         2.31, 2.56 A)
 &rst
  ixpk= 616, nxpk= 21, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 396, 397,
 &end
#
#   18 LYS  HD-          27 ASP  HB+         6.00    (#    617:21  Unique         4.61, 6.29 A)
 &rst
  ixpk= 617, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 396, 397,
 &end
#
#   18 LYS  HD-          27 ASP  HB-         6.00    (#    618:21  Unique         4.61, 6.29 A)
 &rst
  ixpk= 618, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 396, 397,
 &end
#
#   28 VAL  HN           28 VAL  HB          4.50    (#    619:21  Unique         2.84, 3.25 A)
 &rst
  ixpk= 619, nxpk= 21, iat= 404, 408, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:620     28 VAL  HB          6.00    (#    620:21  Single Ambig)
 &rst
  ixpk= 620, nxpk= 21, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 270, 238, 747,
 &end
#
#   29 ASP  HN           28 VAL  HB          6.00    (#    621:21  Unique         3.82, 3.95 A)
 &rst
  ixpk= 621, nxpk= 21, iat= 420, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HA           28 VAL  HB          6.00    (#    622:21  Unique         4.39, 4.68 A)
 &rst
  ixpk= 622, nxpk= 21, iat= 394, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 VAL  HA           28 VAL  HB          6.00    (#    623:21  Unique         2.31, 2.58 A)
 &rst
  ixpk= 623, nxpk= 21, iat= 406, 408, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:624     28 VAL  HB          4.50    (#    624:21  Single Ambig)
 &rst
  ixpk= 624, nxpk= 21, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 242, 243, 244, 811, 812, 813,
 &end
#
#    0 AMB  21-2:625     28 VAL  HB          2.80    (#    625:21  Single Ambig)
 &rst
  ixpk= 625, nxpk= 21, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   20 ASP  HN           19 VAL  MGY         6.00    (#    626:21  Unique         2.84, 3.91 A)
 &rst
  ixpk= 626, nxpk= 21, iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   27 ASP  HN            0 AMB  21-1:627    6.00    (#    627:21  Single Ambig)
 &rst
  ixpk= 627, nxpk= 21, iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   28 VAL  HA            0 AMB  21-1:628    2.80    (#    628:21  Single Ambig)
 &rst
  ixpk= 628, nxpk= 21, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr2= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   29 ASP  HN           29 ASP  HB-         4.50    (#    629:21  Unique         2.10, 2.64 A)
 &rst
  ixpk= 629, nxpk= 21, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 424, 425,
 &end
#
#   29 ASP  HN           29 ASP  HB+         4.50    (#    630:21  Unique         2.10, 2.64 A)
 &rst
  ixpk= 630, nxpk= 21, iat= 420,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 424, 425,
 &end
#
#   54 PHE  HD           29 ASP  HB-         6.00    (#    631:21  Unique         2.10, 4.54 A)
 &rst
  ixpk= 631, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 795, 803,
 igr2= 424, 425,
 &end
#
#   54 PHE  HD           29 ASP  HB+         6.00    (#    632:21  Unique         2.10, 4.54 A)
 &rst
  ixpk= 632, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 795, 803,
 igr2= 424, 425,
 &end
#
#   54 PHE  HA           29 ASP  HB-         6.00    (#    633:21  Unique         2.00, 2.72 A)
 &rst
  ixpk= 633, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#   54 PHE  HA           29 ASP  HB+         6.00    (#    634:21  Unique         2.00, 2.72 A)
 &rst
  ixpk= 634, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#   29 ASP  HA           29 ASP  HB-         4.50    (#    635:21  Unique         2.60, 2.84 A)
 &rst
  ixpk= 635, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 424, 425,
 &end
#
#   29 ASP  HA           29 ASP  HB+         4.50    (#    636:21  Unique         2.60, 2.84 A)
 &rst
  ixpk= 636, nxpk= 21, iat= 422,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 424, 425,
 &end
#
#   28 VAL  HA           29 ASP  HB-         6.00    (#    637:21  Unique         4.11, 4.71 A)
 &rst
  ixpk= 637, nxpk= 21, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#   28 VAL  HA           29 ASP  HB+         6.00    (#    638:21  Unique         4.11, 4.71 A)
 &rst
  ixpk= 638, nxpk= 21, iat= 406,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#   30 LEU  MDY          30 LEU  HA          3.50    (#    639:21  Unique         2.10, 4.04 A)
 &rst
  ixpk= 639, nxpk= 21, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:640     30 LEU  HA          4.50    (#    640:21  Single Ambig)
 &rst
  ixpk= 640, nxpk= 21, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   55 ALA  MB           30 LEU  HA          4.50    (#    641:21  Unique         2.10, 3.08 A)
 &rst
  ixpk= 641, nxpk= 21, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 811, 812, 813,
 &end
#
#   30 LEU  HB+          30 LEU  HA          3.50    (#    642:21  Unique         2.28, 2.65 A)
 &rst
  ixpk= 642, nxpk= 21, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 436, 437,
 &end
#
#   30 LEU  HN           30 LEU  HB+         6.00    (#    643:21  Unique         2.86, 3.41 A)
 &rst
  ixpk= 643, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 436, 437,
 &end
#
#   30 LEU  HA           30 LEU  HB+         6.00    (#    646:21  Unique         2.28, 2.65 A)
 &rst
  ixpk= 646, nxpk= 21, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 436, 437,
 &end
#
#   30 LEU  HA           30 LEU  HB-         6.00    (#    647:21  Unique         2.28, 2.65 A)
 &rst
  ixpk= 647, nxpk= 21, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 436, 437,
 &end
#
#   35 SER  HB-          30 LEU  HB-         6.00    (#    648:21  Unique         2.05, 3.43 A)
 &rst
  ixpk= 648, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 511, 512,
 igr2= 436, 437,
 &end
#
#   35 SER  HB-          30 LEU  HB+         6.00    (#    649:21  Unique         2.05, 3.43 A)
 &rst
  ixpk= 649, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 511, 512,
 igr2= 436, 437,
 &end
#
#   55 ALA  MB            0 AMB  21-1:650    4.50    (#    650:21  Single Ambig)
 &rst
  ixpk= 650, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 811, 812, 813,
 igr2= 469, 470, 436, 437,
 &end
#
#   55 ALA  MB           30 LEU  HB+         6.00    (#    651:21  Unique         3.50, 4.90 A)
 &rst
  ixpk= 651, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 811, 812, 813,
 igr2= 436, 437,
 &end
#
#    0 AMB  21-2:652      0 AMB  21-1:652    3.50    (#    652:21  Double Ambig)
 &rst
  ixpk= 652, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.67, r4= 7.17,
 igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
       446, 447,
 igr2= 436, 437, 436, 437,
 &end
#
#    0 AMB  21-2:653     30 LEU  HB-         3.50    (#    653:21  Single Ambig)
 &rst
  ixpk= 653, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
       446, 447,
 igr2= 436, 437,
 &end
#
#   30 LEU  MDY          30 LEU  HB+         4.50    (#    654:21  Unique         2.04, 3.26 A)
 &rst
  ixpk= 654, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 436, 437,
 &end
#
#   30 LEU  MDY          30 LEU  HB-         4.50    (#    655:21  Unique         2.04, 3.26 A)
 &rst
  ixpk= 655, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 436, 437,
 &end
#
#   30 LEU  MDY          30 LEU  HG          3.50    (#    656:21  Unique         2.21, 2.63 A)
 &rst
  ixpk= 656, nxpk= 21, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  HA           30 LEU  HG          6.00    (#    657:21  Unique         3.19, 3.35 A)
 &rst
  ixpk= 657, nxpk= 21, iat= 434, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 GLN  HA           30 LEU  HG          6.00    (#    658:21  Unique         1.98, 2.23 A)
 &rst
  ixpk= 658, nxpk= 21, iat= 223, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HN           30 LEU  HG          6.00    (#    659:21  Unique         2.15, 2.68 A)
 &rst
  ixpk= 659, nxpk= 21, iat= 238, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           30 LEU  HG          6.00    (#    660:21  Unique         2.32, 2.59 A)
 &rst
  ixpk= 660, nxpk= 21, iat= 432, 439, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           30 LEU  MDX         6.00    (#    661:21  Unique         3.31, 4.59 A)
 &rst
  ixpk= 661, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   35 SER  HN           30 LEU  MDX         6.00    (#    662:21  Unique         3.15, 5.13 A)
 &rst
  ixpk= 662, nxpk= 21, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  HA           30 LEU  MDX         6.00    (#    664:21  Unique         2.10, 4.04 A)
 &rst
  ixpk= 664, nxpk= 21, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   35 SER  HA           30 LEU  MDX         3.50    (#    665:21  Unique         1.93, 3.99 A)
 &rst
  ixpk= 665, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   35 SER  HB-          30 LEU  MDX         4.50    (#    666:21  Unique         1.98, 4.39 A)
 &rst
  ixpk= 666, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 511, 512,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:667     30 LEU  MDX         2.80    (#    667:21  Single Ambig)
 &rst
  ixpk= 667, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 436, 437, 439,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:668     30 LEU  MDX         3.50    (#    668:21  Single Ambig)
 &rst
  ixpk= 668, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 242, 243, 244, 811, 812, 813,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  HN           30 LEU  MDY         6.00    (#    670:21  Unique         3.31, 4.59 A)
 &rst
  ixpk= 670, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  HA           30 LEU  MDY         2.80    (#    672:21  Unique         2.10, 4.04 A)
 &rst
  ixpk= 672, nxpk= 21, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   35 SER  HA           30 LEU  MDY         6.00    (#    673:21  Unique         1.93, 3.99 A)
 &rst
  ixpk= 673, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:674     30 LEU  MDY         2.80    (#    674:21  Single Ambig)
 &rst
  ixpk= 674, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.53, r4= 5.03,
 igr1= 436, 437, 439,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:675     30 LEU  MDY         6.00    (#    675:21  Single Ambig)
 &rst
  ixpk= 675, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 612, 613, 700,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:678      0 AMB  21-1:678    6.00    (#    678:21  Double Ambig)
 &rst
  ixpk= 678, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 795, 803, 957,
 igr2= 474, 475, 476, 478, 479, 480,1003,1004,1005,1007,
      1008,1009,
 &end
#
#    0 AMB  21-2:681      0 AMB  21-1:681    6.00    (#    681:21  Double Ambig)
 &rst
  ixpk= 681, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 819,  60,
 igr2= 474, 475, 476, 478, 479, 480,1003,1004,1005,1007,
      1008,1009,
 &end
#
#   31 THR  HN           31 THR  HA          4.50    (#    682:21  Unique         2.80, 2.88 A)
 &rst
  ixpk= 682, nxpk= 21, iat= 451, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HN           31 THR  HA          6.00    (#    683:21  Unique         3.43, 3.75 A)
 &rst
  ixpk= 683, nxpk= 21, iat= 500, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:684     31 THR  HA          6.00    (#    684:21  Single Ambig)
 &rst
  ixpk= 684, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 209, 223,
 &end
#
#   30 LEU  HA           31 THR  HA          6.00    (#    685:21  Unique         4.61, 4.65 A)
 &rst
  ixpk= 685, nxpk= 21, iat= 434, 453, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 THR  HB           31 THR  HA          4.50    (#    686:21  Unique         2.39, 2.54 A)
 &rst
  ixpk= 686, nxpk= 21, iat= 455, 453, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HB+          31 THR  HA          6.00    (#    687:21  Unique         2.72, 4.07 A)
 &rst
  ixpk= 687, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   15 ASN  HB-          31 THR  HA          6.00    (#    688:21  Unique         2.72, 4.07 A)
 &rst
  ixpk= 688, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   31 THR  MG2          31 THR  HA          3.50    (#    689:21  Unique         2.06, 2.99 A)
 &rst
  ixpk= 689, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 457, 458, 459,
 &end
#
#   31 THR  HN           31 THR  HB          4.50    (#    690:21  Unique         3.46, 3.59 A)
 &rst
  ixpk= 690, nxpk= 21, iat= 451, 455, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 PHE  HD           31 THR  HB          6.00    (#    691:21  Unique         4.25, 6.76 A)
 &rst
  ixpk= 691, nxpk= 21, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 803,
 &end
#
#   31 THR  MG2          31 THR  HB          3.50    (#    693:21  Unique         2.23, 2.64 A)
 &rst
  ixpk= 693, nxpk= 21, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 457, 458, 459,
 &end
#
#   31 THR  HN           31 THR  MG2         4.50    (#    694:21  Unique         2.24, 3.45 A)
 &rst
  ixpk= 694, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 457, 458, 459,
 &end
#
#   15 ASN  HD2+         31 THR  MG2         6.00    (#    695:21  Unique         2.25, 4.49 A)
 &rst
  ixpk= 695, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 216, 217,
 igr2= 457, 458, 459,
 &end
#
#   54 PHE  HE           31 THR  MG2         6.00    (#    696:21  Unique         3.51, 7.27 A)
 &rst
  ixpk= 696, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 797, 801,
 igr2= 457, 458, 459,
 &end
#
#   15 ASN  HD2-         31 THR  MG2         6.00    (#    697:21  Unique         2.25, 4.49 A)
 &rst
  ixpk= 697, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 216, 217,
 igr2= 457, 458, 459,
 &end
#
#   31 THR  HB           31 THR  MG2         2.80    (#    699:21  Unique         2.23, 2.64 A)
 &rst
  ixpk= 699, nxpk= 21, iat= 455,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 457, 458, 459,
 &end
#
#   31 THR  HA           31 THR  MG2         3.50    (#    700:21  Unique         2.06, 2.99 A)
 &rst
  ixpk= 700, nxpk= 21, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 457, 458, 459,
 &end
#
#   15 ASN  HB+          31 THR  MG2         6.00    (#    701:21  Unique         2.10, 3.48 A)
 &rst
  ixpk= 701, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 211, 212,
 igr2= 457, 458, 459,
 &end
#
#   31 THR  HN           32 LEU  HA          6.00    (#    702:21  Unique         4.99, 5.05 A)
 &rst
  ixpk= 702, nxpk= 21, iat= 451, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HN           32 LEU  HA          6.00    (#    703:21  Unique         4.75, 5.06 A)
 &rst
  ixpk= 703, nxpk= 21, iat= 500, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  HN           32 LEU  HA          6.00    (#    704:21  Unique         3.31, 3.35 A)
 &rst
  ixpk= 704, nxpk= 21, iat= 484, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 LEU  HB-          32 LEU  HA          2.80    (#    705:21  Unique         2.32, 2.68 A)
 &rst
  ixpk= 705, nxpk= 21, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 469, 470,
 &end
#
#   32 LEU  HB+          32 LEU  HA          2.80    (#    706:21  Unique         2.32, 2.68 A)
 &rst
  ixpk= 706, nxpk= 21, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 469, 470,
 &end
#
#   32 LEU  MDY          32 LEU  HA          2.80    (#    707:21  Unique         2.20, 3.85 A)
 &rst
  ixpk= 707, nxpk= 21, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   31 THR  HN           32 LEU  HB+         6.00    (#    708:21  Unique         4.74, 5.41 A)
 &rst
  ixpk= 708, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 469, 470,
 &end
#
#   31 THR  HN            0 AMB  21-1:709    6.00    (#    709:21  Single Ambig)
 &rst
  ixpk= 709, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 436, 437, 469, 470,
 &end
#
#   33 VAL  HN           32 LEU  HB+         6.00    (#    710:21  Unique         2.78, 3.80 A)
 &rst
  ixpk= 710, nxpk= 21, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 469, 470,
 &end
#
#   33 VAL  HN           32 LEU  HB-         6.00    (#    711:21  Unique         2.78, 3.80 A)
 &rst
  ixpk= 711, nxpk= 21, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 469, 470,
 &end
#
#   32 LEU  HA           32 LEU  HB+         4.50    (#    712:21  Unique         2.32, 2.68 A)
 &rst
  ixpk= 712, nxpk= 21, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 469, 470,
 &end
#
#   32 LEU  HA           32 LEU  HB-         3.50    (#    713:21  Unique         2.32, 2.68 A)
 &rst
  ixpk= 713, nxpk= 21, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 469, 470,
 &end
#
#   32 LEU  MDX          32 LEU  HB+         3.50    (#    716:21  Unique         2.24, 3.29 A)
 &rst
  ixpk= 716, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 474, 475, 476, 478, 479, 480,
 igr2= 469, 470,
 &end
#
#   33 VAL  MGY          32 LEU  HB+         6.00    (#    717:21  Unique         2.88, 5.11 A)
 &rst
  ixpk= 717, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 490, 491, 492, 494, 495, 496,
 igr2= 469, 470,
 &end
#
#   32 LEU  MDY          32 LEU  HB-         2.80    (#    718:21  Unique         2.24, 3.29 A)
 &rst
  ixpk= 718, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 474, 475, 476, 478, 479, 480,
 igr2= 469, 470,
 &end
#
#    0 AMB  21-2:719     30 LEU  HB-         4.50    (#    719:21  Single Ambig)
 &rst
  ixpk= 719, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
       446, 447,
 igr2= 436, 437,
 &end
#
#   31 THR  HN           32 LEU  HG          4.50    (#    720:21  Unique         3.49, 3.63 A)
 &rst
  ixpk= 720, nxpk= 21, iat= 451, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 PHE  HD           32 LEU  HG          6.00    (#    721:21  Unique         2.60, 4.31 A)
 &rst
  ixpk= 721, nxpk= 21, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 803,
 &end
#
#   32 LEU  HA           32 LEU  HG          4.50    (#    722:21  Unique         3.37, 3.39 A)
 &rst
  ixpk= 722, nxpk= 21, iat= 467, 472, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 LEU  HB+          32 LEU  HG          6.00    (#    723:21  Unique         2.39, 2.72 A)
 &rst
  ixpk= 723, nxpk= 21, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 469, 470,
 &end
#
#   32 LEU  MDY          32 LEU  HG          2.80    (#    724:21  Unique         2.23, 2.63 A)
 &rst
  ixpk= 724, nxpk= 21, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   32 LEU  HA           32 LEU  MDY         2.80    (#    725:21  Unique         2.20, 3.85 A)
 &rst
  ixpk= 725, nxpk= 21, iat= 467,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
#   32 LEU  HG           32 LEU  MDY         3.50    (#    726:21  Unique         2.23, 2.63 A)
 &rst
  ixpk= 726, nxpk= 21, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 474, 475, 476, 478, 479, 480,
 &end
#
#    0 AMB  21-2:727      0 AMB  21-1:727    3.50    (#    727:21  Double Ambig)
 &rst
  ixpk= 727, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=  36, 469, 470,
 igr2= 737, 738, 739, 741, 742, 743, 474, 475, 476, 478,
       479, 480,
 &end
#
#    0 AMB  21-2:728      0 AMB  21-1:728    4.50    (#    728:21  Double Ambig)
 &rst
  ixpk= 728, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=  88, 451,
 igr2= 737, 738, 739, 741, 742, 743, 474, 475, 476, 478,
       479, 480,
 &end
#
#    0 AMB  21-2:729      0 AMB  21-1:729    4.50    (#    729:21  Double Ambig)
 &rst
  ixpk= 729, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 691, 484,
 igr2=  81,  82, 488,
 &end
#
#   33 VAL  HA           33 VAL  HB          3.50    (#    730:21  Unique         2.57, 2.63 A)
 &rst
  ixpk= 730, nxpk= 21, iat= 486, 488, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:731      0 AMB  21-1:731    2.80    (#    731:21  Double Ambig)
 &rst
  ixpk= 731, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 721, 722, 723, 725, 726, 727, 490, 491, 492, 494,
       495, 496,
 igr2=  81,  82, 488,
 &end
#
#   33 VAL  MGX          33 VAL  HB          2.80    (#    732:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 732, nxpk= 21, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   34 GLY  HN           33 VAL  MGY         6.00    (#    734:21  Unique         1.91, 3.90 A)
 &rst
  ixpk= 734, nxpk= 21, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   33 VAL  HN           33 VAL  MGY         4.50    (#    735:21  Unique         1.93, 3.46 A)
 &rst
  ixpk= 735, nxpk= 21, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#    0 AMB  21-2:736     33 VAL  MGY         2.80    (#    736:21  Single Ambig)
 &rst
  ixpk= 736, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 434, 486,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   34 GLY  HA-          33 VAL  MGY         6.00    (#    738:21  Unique         3.97, 6.02 A)
 &rst
  ixpk= 738, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 502, 503,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   33 VAL  HB           33 VAL  MGY         2.80    (#    739:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 739, nxpk= 21, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   58 VAL  HB           33 VAL  MGY         4.50    (#    740:21  Unique         2.46, 5.43 A)
 &rst
  ixpk= 740, nxpk= 21, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   55 ALA  MB           33 VAL  MGY         6.00    (#    741:21  Unique         1.99, 4.13 A)
 &rst
  ixpk= 741, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 811, 812, 813,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   33 VAL  HN           33 VAL  MGX         3.50    (#    742:21  Unique         1.93, 3.46 A)
 &rst
  ixpk= 742, nxpk= 21, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   34 GLY  HN           33 VAL  MGX         4.50    (#    743:21  Unique         1.91, 3.90 A)
 &rst
  ixpk= 743, nxpk= 21, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#    0 AMB  21-2:745     33 VAL  MGX         2.80    (#    745:21  Single Ambig)
 &rst
  ixpk= 745, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 434, 486,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   43 ARG  HD-           0 AMB  21-1:746    6.00    (#    746:21  Single Ambig)
 &rst
  ixpk= 746, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 618, 619,
 igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
 &end
#
#   33 VAL  HB           33 VAL  MGX         2.80    (#    747:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 747, nxpk= 21, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#    0 AMB  21-2:748      0 AMB  21-1:748    3.50    (#    748:21  Double Ambig)
 &rst
  ixpk= 748, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 811, 812, 813, 242, 243, 244,
 igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
 &end
#
#   34 GLY  HN           34 GLY  HA+         4.50    (#    749:21  Unique         2.38, 2.70 A)
 &rst
  ixpk= 749, nxpk= 21, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 502, 503,
 &end
#
#   34 GLY  HN           34 GLY  HA-         3.50    (#    750:21  Unique         2.38, 2.70 A)
 &rst
  ixpk= 750, nxpk= 21, iat= 500,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 502, 503,
 &end
#
#   36 CYS  HN           34 GLY  HA-         6.00    (#    752:21  Unique         3.12, 3.80 A)
 &rst
  ixpk= 752, nxpk= 21, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 502, 503,
 &end
#
#   33 VAL  HN           34 GLY  HA-         6.00    (#    753:21  Unique         4.03, 4.39 A)
 &rst
  ixpk= 753, nxpk= 21, iat= 484,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 502, 503,
 &end
#
#   35 SER  HN           34 GLY  HA-         3.50    (#    754:21  Unique         2.15, 3.17 A)
 &rst
  ixpk= 754, nxpk= 21, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 502, 503,
 &end
#
#   35 SER  HN           34 GLY  HA+         4.50    (#    755:21  Unique         2.15, 3.17 A)
 &rst
  ixpk= 755, nxpk= 21, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 502, 503,
 &end
#
#   33 VAL  MGX          34 GLY  HA+         6.00    (#    756:21  Unique         3.97, 6.02 A)
 &rst
  ixpk= 756, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 490, 491, 492, 494, 495, 496,
 igr2= 502, 503,
 &end
#
#   33 VAL  MGX          34 GLY  HA-         6.00    (#    759:21  Unique         3.97, 6.02 A)
 &rst
  ixpk= 759, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 490, 491, 492, 494, 495, 496,
 igr2= 502, 503,
 &end
#
#   35 SER  HN           35 SER  HA          4.50    (#    760:21  Unique         2.27, 2.37 A)
 &rst
  ixpk= 760, nxpk= 21, iat= 507, 509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 SER  HB-          35 SER  HA          2.80    (#    762:21  Unique         2.24, 2.51 A)
 &rst
  ixpk= 762, nxpk= 21, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 511, 512,
 &end
#
#    0 AMB  21-2:763     35 SER  HA          3.50    (#    763:21  Single Ambig)
 &rst
  ixpk= 763, nxpk= 21, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 436, 437, 436, 437,
 &end
#
#    3 ILE  HG1-          3 ILE  HA          6.00    (#    764:21  Unique         2.34, 3.21 A)
 &rst
  ixpk= 764, nxpk= 21, iat=  -1,  34, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#   35 SER  HN           35 SER  HB-         4.50    (#    765:21  Unique         2.09, 3.36 A)
 &rst
  ixpk= 765, nxpk= 21, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 511, 512,
 &end
#
#   35 SER  HN           35 SER  HB+         4.50    (#    766:21  Unique         2.09, 3.36 A)
 &rst
  ixpk= 766, nxpk= 21, iat= 507,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 511, 512,
 &end
#
#   36 CYS  HN           35 SER  HB-         6.00    (#    767:21  Unique         3.22, 4.36 A)
 &rst
  ixpk= 767, nxpk= 21, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 511, 512,
 &end
#
#   36 CYS  HN           35 SER  HB+         6.00    (#    768:21  Unique         3.22, 4.36 A)
 &rst
  ixpk= 768, nxpk= 21, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 511, 512,
 &end
#
#   35 SER  HA           35 SER  HB-         2.80    (#    771:21  Unique         2.24, 2.51 A)
 &rst
  ixpk= 771, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 511, 512,
 &end
#
#   35 SER  HA           35 SER  HB+         2.80    (#    772:21  Unique         2.24, 2.51 A)
 &rst
  ixpk= 772, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 511, 512,
 &end
#
#   30 LEU  HB+          35 SER  HB-         6.00    (#    773:21  Unique         2.05, 3.43 A)
 &rst
  ixpk= 773, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 436, 437,
 igr2= 511, 512,
 &end
#
#   30 LEU  HB+          35 SER  HB+         4.50    (#    774:21  Unique         2.05, 3.43 A)
 &rst
  ixpk= 774, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 436, 437,
 igr2= 511, 512,
 &end
#
#   12 ILE  MG2          35 SER  HB-         3.50    (#    775:21  Unique         2.23, 3.71 A)
 &rst
  ixpk= 775, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 175, 176, 177,
 igr2= 511, 512,
 &end
#
#   12 ILE  MG2          35 SER  HB+         3.50    (#    776:21  Unique         2.23, 3.71 A)
 &rst
  ixpk= 776, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 175, 176, 177,
 igr2= 511, 512,
 &end
#
#   37 ASP  HN           36 CYS  HA          4.50    (#    777:21  Unique         2.14, 2.22 A)
 &rst
  ixpk= 777, nxpk= 21, iat= 529, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HA           36 CYS  HA          4.50    (#    779:21  Unique         3.53, 4.08 A)
 &rst
  ixpk= 779, nxpk= 21, iat= 604, 520, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 CYS  HB-          36 CYS  HA          4.50    (#    780:21  Unique         2.36, 2.64 A)
 &rst
  ixpk= 780, nxpk= 21, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   36 CYS  HB+          36 CYS  HA          4.50    (#    781:21  Unique         2.36, 2.64 A)
 &rst
  ixpk= 781, nxpk= 21, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   37 ASP  HN           36 CYS  HB+         6.00    (#    782:21  Unique         2.41, 3.59 A)
 &rst
  ixpk= 782, nxpk= 21, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 522, 523,
 &end
#
#   37 ASP  HN           36 CYS  HB-         4.50    (#    783:21  Unique         2.41, 3.59 A)
 &rst
  ixpk= 783, nxpk= 21, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#    0 AMB  21-2:784     36 CYS  HB-         4.50    (#    784:21  Single Ambig)
 &rst
  ixpk= 784, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 570, 577,
 igr2= 522, 523,
 &end
#
#    0 AMB  21-2:785      0 AMB  21-1:785    6.00    (#    785:21  Double Ambig)
 &rst
  ixpk= 785, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 570, 577,
 igr2= 522, 523, 522, 523,
 &end
#
#   36 CYS  HN           36 CYS  HB+         4.50    (#    786:21  Unique         2.26, 3.36 A)
 &rst
  ixpk= 786, nxpk= 21, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   36 CYS  HN           36 CYS  HB-         6.00    (#    787:21  Unique         2.26, 3.36 A)
 &rst
  ixpk= 787, nxpk= 21, iat= 518,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 522, 523,
 &end
#
#   36 CYS  HA           36 CYS  HB+         4.50    (#    789:21  Unique         2.36, 2.64 A)
 &rst
  ixpk= 789, nxpk= 21, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   36 CYS  HA           36 CYS  HB-         4.50    (#    790:21  Unique         2.36, 2.64 A)
 &rst
  ixpk= 790, nxpk= 21, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 522, 523,
 &end
#
#   40 GLY  HA+          36 CYS  HB-         6.00    (#    792:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 792, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 522, 523,
 &end
#
#   40 GLY  HA+          36 CYS  HB+         6.00    (#    793:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 793, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 522, 523,
 &end
#
#   40 GLY  HA-          36 CYS  HB+         6.00    (#    794:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 794, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 522, 523,
 &end
#
#   40 GLY  HA-          36 CYS  HB-         6.00    (#    795:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 795, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 522, 523,
 &end
#
#   38 GLU  HN           37 ASP  HA          4.50    (#    798:21  Unique         2.36, 2.43 A)
 &rst
  ixpk= 798, nxpk= 21, iat= 541, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ASP  HN           37 ASP  HA          4.50    (#    799:21  Unique         2.75, 2.82 A)
 &rst
  ixpk= 799, nxpk= 21, iat= 529, 531, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ASP  HB+          37 ASP  HA          3.50    (#    800:21  Unique         2.35, 2.77 A)
 &rst
  ixpk= 800, nxpk= 21, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   37 ASP  HB-          37 ASP  HA          3.50    (#    801:21  Unique         2.35, 2.77 A)
 &rst
  ixpk= 801, nxpk= 21, iat=  -1, 531, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 533, 534,
 &end
#
#   38 GLU  HN           37 ASP  HB+         4.50    (#    802:21  Unique         1.94, 3.44 A)
 &rst
  ixpk= 802, nxpk= 21, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#   38 GLU  HN           37 ASP  HB-         4.50    (#    803:21  Unique         1.94, 3.44 A)
 &rst
  ixpk= 803, nxpk= 21, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#   37 ASP  HN           37 ASP  HB+         6.00    (#    804:21  Unique         2.23, 2.71 A)
 &rst
  ixpk= 804, nxpk= 21, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   37 ASP  HN           37 ASP  HB-         4.50    (#    805:21  Unique         2.23, 2.71 A)
 &rst
  ixpk= 805, nxpk= 21, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 533, 534,
 &end
#
#   37 ASP  HA           37 ASP  HB+         3.50    (#    806:21  Unique         2.35, 2.77 A)
 &rst
  ixpk= 806, nxpk= 21, iat= 531,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 533, 534,
 &end
#
#    0 AMB  21-2:807      0 AMB  21-1:807    2.80    (#    807:21  Double Ambig)
 &rst
  ixpk= 807, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 531, 288,
 igr2= 533, 534, 290, 291,
 &end
#
#   38 GLU  HN           38 GLU  HA          4.50    (#    810:21  Unique         2.78, 2.79 A)
 &rst
  ixpk= 810, nxpk= 21, iat= 541, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASN  HN           38 GLU  HA          4.50    (#    811:21  Unique         3.29, 3.45 A)
 &rst
  ixpk= 811, nxpk= 21, iat= 556, 543, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:813     38 GLU  HA          2.80    (#    813:21  Single Ambig)
 &rst
  ixpk= 813, nxpk= 21, iat=  -1, 543, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 545, 546, 545, 546,
 &end
#
#   38 GLU  HN           38 GLU  HB+         6.00    (#    814:21  Unique         2.14, 2.95 A)
 &rst
  ixpk= 814, nxpk= 21, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 545, 546,
 &end
#
#   38 GLU  HN           38 GLU  HB-         6.00    (#    815:21  Unique         2.14, 2.95 A)
 &rst
  ixpk= 815, nxpk= 21, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 545, 546,
 &end
#
#   42 PRO  HA            0 AMB  21-1:816    6.00    (#    816:21  Single Ambig)
 &rst
  ixpk= 816, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 PRO  HA            0 AMB  21-1:817    6.00    (#    817:21  Single Ambig)
 &rst
  ixpk= 817, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 598, 599, 581, 582,
 &end
#
#   38 GLU  HA           38 GLU  HB+         3.50    (#    818:21  Unique         2.37, 2.68 A)
 &rst
  ixpk= 818, nxpk= 21, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 545, 546,
 &end
#
#   38 GLU  HA           38 GLU  HB-         2.80    (#    819:21  Unique         2.37, 2.68 A)
 &rst
  ixpk= 819, nxpk= 21, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 545, 546,
 &end
#
#    0 AMB  21-2:820      0 AMB  21-1:820    2.80    (#    820:21  Double Ambig)
 &rst
  ixpk= 820, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1= 584, 585, 584, 585, 548, 549, 548, 549,
 igr2= 581, 582, 581, 582, 545, 546, 545, 546,
 &end
#
#    0 AMB  21-2:821      0 AMB  21-1:821    2.80    (#    821:21  Double Ambig)
 &rst
  ixpk= 821, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1= 584, 585, 584, 585, 548, 549, 548, 549,
 igr2= 581, 582, 581, 582, 545, 546,
 &end
#
#   38 GLU  HN            0 AMB  21-1:822    6.00    (#    822:21  Single Ambig)
 &rst
  ixpk= 822, nxpk= 21, iat= 541,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 548, 549, 548, 549,
 &end
#
#   38 GLU  HA            0 AMB  21-1:823    4.50    (#    823:21  Single Ambig)
 &rst
  ixpk= 823, nxpk= 21, iat= 543,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 548, 549, 548, 549,
 &end
#
#   39 ASN  HB+          39 ASN  HA          3.50    (#    824:21  Unique         2.56, 2.84 A)
 &rst
  ixpk= 824, nxpk= 21, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 560, 561,
 &end
#
#   39 ASN  HB-          39 ASN  HA          4.50    (#    825:21  Unique         2.56, 2.84 A)
 &rst
  ixpk= 825, nxpk= 21, iat=  -1, 558, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 560, 561,
 &end
#
#   40 GLY  HN           39 ASN  HB+         4.50    (#    826:21  Unique         3.27, 3.72 A)
 &rst
  ixpk= 826, nxpk= 21, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 560, 561,
 &end
#
#   39 ASN  HD2-         39 ASN  HB+         4.50    (#    828:21  Unique         2.19, 3.38 A)
 &rst
  ixpk= 828, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 565, 566,
 igr2= 560, 561,
 &end
#
#   39 ASN  HD2+         39 ASN  HB+         6.00    (#    829:21  Unique         2.19, 3.38 A)
 &rst
  ixpk= 829, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 565, 566,
 igr2= 560, 561,
 &end
#
#   39 ASN  HD2+         39 ASN  HB-         4.50    (#    830:21  Unique         2.19, 3.38 A)
 &rst
  ixpk= 830, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 565, 566,
 igr2= 560, 561,
 &end
#
#   39 ASN  HA           39 ASN  HB+         4.50    (#    831:21  Unique         2.56, 2.84 A)
 &rst
  ixpk= 831, nxpk= 21, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 560, 561,
 &end
#
#   39 ASN  HA           39 ASN  HB-         4.50    (#    832:21  Unique         2.56, 2.84 A)
 &rst
  ixpk= 832, nxpk= 21, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 560, 561,
 &end
#
#   75 PHE  HA           75 PHE  HB-         4.50    (#    833:21  Unique         2.36, 2.74 A)
 &rst
  ixpk= 833, nxpk= 21, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1106,1107,
 &end
#
#   72 GLN  HA           75 PHE  HB-         6.00    (#    834:21  Unique         2.30, 3.44 A)
 &rst
  ixpk= 834, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1106,1107,
 &end
#
#    0 AMB  21-2:835      0 AMB  21-1:835    6.00    (#    835:21  Double Ambig)
 &rst
  ixpk= 835, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 584, 585, 548, 549,
 igr2= 560, 561, 560, 561,
 &end
#
#   41 GLN  HG-          39 ASN  HB+         6.00    (#    836:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 836, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 584, 585,
 igr2= 560, 561,
 &end
#
#    0 AMB  21-2:837      0 AMB  21-1:837    6.00    (#    837:21  Double Ambig)
 &rst
  ixpk= 837, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 581, 582, 581, 582,
 igr2= 560, 561, 560, 561,
 &end
#
#    0 AMB  21-2:838     39 ASN  HB-         6.00    (#    838:21  Single Ambig)
 &rst
  ixpk= 838, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 581, 582, 581, 582,
 igr2= 560, 561,
 &end
#
#   41 GLN  HG-          39 ASN  HB-         6.00    (#    839:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 839, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 584, 585,
 igr2= 560, 561,
 &end
#
#    0 AMB  21-2:840     39 ASN  HB-         6.00    (#    840:21  Single Ambig)
 &rst
  ixpk= 840, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 584, 585, 548, 549,
 igr2= 560, 561,
 &end
#
#   40 GLY  HN           40 GLY  HA+         2.80    (#    841:21  Unique         2.35, 2.65 A)
 &rst
  ixpk= 841, nxpk= 21, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 572, 573,
 &end
#
#   40 GLY  HN           40 GLY  HA-         2.80    (#    842:21  Unique         2.35, 2.65 A)
 &rst
  ixpk= 842, nxpk= 21, iat= 570,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 572, 573,
 &end
#
#   36 CYS  HB+          40 GLY  HA+         6.00    (#    845:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 845, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 522, 523,
 igr2= 572, 573,
 &end
#
#   36 CYS  HB+          40 GLY  HA-         6.00    (#    846:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 846, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 522, 523,
 igr2= 572, 573,
 &end
#
#   36 CYS  HB-          40 GLY  HA-         4.50    (#    847:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 847, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 522, 523,
 igr2= 572, 573,
 &end
#
#   36 CYS  HB-          40 GLY  HA+         6.00    (#    848:21  Unique         2.04, 4.40 A)
 &rst
  ixpk= 848, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 522, 523,
 igr2= 572, 573,
 &end
#
#   50 VAL  MGX          53 GLY  HA-         6.00    (#    850:21  Unique         5.36, 8.80 A)
 &rst
  ixpk= 850, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 737, 738, 739, 741, 742, 743,
 igr2= 782, 783,
 &end
#
#   41 GLN  HN            0 AMB  21-1:851    2.80    (#    851:21  Single Ambig)
 &rst
  ixpk= 851, nxpk= 21, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2= 581, 582, 581, 582,
 &end
#
#   41 GLN  HA            0 AMB  21-1:852    3.50    (#    852:21  Single Ambig)
 &rst
  ixpk= 852, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2= 581, 582, 581, 582,
 &end
#
#   42 PRO  HD-           0 AMB  21-1:853    4.50    (#    853:21  Single Ambig)
 &rst
  ixpk= 853, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 595, 596,
 igr2= 581, 582, 581, 582,
 &end
#
#   41 GLN  HN           41 GLN  HG+         4.50    (#    854:21  Unique         2.40, 3.42 A)
 &rst
  ixpk= 854, nxpk= 21, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 584, 585,
 &end
#
#   41 GLN  HN           41 GLN  HG-         4.50    (#    855:21  Unique         2.40, 3.42 A)
 &rst
  ixpk= 855, nxpk= 21, iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 584, 585,
 &end
#
#   41 GLN  HE2+         41 GLN  HG-         4.50    (#    856:21  Unique         2.12, 3.27 A)
 &rst
  ixpk= 856, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 589, 590,
 igr2= 584, 585,
 &end
#
#   41 GLN  HE2+         41 GLN  HG+         6.00    (#    857:21  Unique         2.12, 3.27 A)
 &rst
  ixpk= 857, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 589, 590,
 igr2= 584, 585,
 &end
#
#   41 GLN  HA           41 GLN  HG+         4.50    (#    858:21  Unique         2.20, 3.14 A)
 &rst
  ixpk= 858, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 584, 585,
 &end
#
#   41 GLN  HA           41 GLN  HG-         4.50    (#    859:21  Unique         2.20, 3.14 A)
 &rst
  ixpk= 859, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 584, 585,
 &end
#
#   42 PRO  HD-          41 GLN  HG-         6.00    (#    860:21  Unique         2.92, 4.26 A)
 &rst
  ixpk= 860, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 595, 596,
 igr2= 584, 585,
 &end
#
#   39 ASN  HB+          41 GLN  HG+         6.00    (#    861:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 861, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 584, 585,
 &end
#
#   39 ASN  HB+          41 GLN  HG-         6.00    (#    862:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 862, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 584, 585,
 &end
#
#   43 ARG  HN           42 PRO  HB+         6.00    (#    863:21  Unique         3.01, 3.54 A)
 &rst
  ixpk= 863, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 601, 602,
 &end
#
#   43 ARG  HN           42 PRO  HB-         6.00    (#    864:21  Unique         3.01, 3.54 A)
 &rst
  ixpk= 864, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 601, 602,
 &end
#
#   42 PRO  HA           42 PRO  HB+         4.50    (#    865:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 865, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#   42 PRO  HA           42 PRO  HB-         4.50    (#    866:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 866, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 601, 602,
 &end
#
#    0 AMB  21-2:867      0 AMB  21-1:867    4.50    (#    867:21  Double Ambig)
 &rst
  ixpk= 867, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 595, 596, 595, 596,
 igr2= 584, 585, 601, 602,
 &end
#
#   42 PRO  HD+          42 PRO  HB-         6.00    (#    868:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 868, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#   42 PRO  HD-          42 PRO  HB-         6.00    (#    869:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 869, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 595, 596,
 igr2= 601, 602,
 &end
#
#   42 PRO  HD-           0 AMB  21-1:870    4.50    (#    870:21  Single Ambig)
 &rst
  ixpk= 870, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 595, 596,
 igr2= 584, 585, 601, 602,
 &end
#
#   12 ILE  MD1          42 PRO  HB+         3.50    (#    873:21  Unique         3.12, 4.28 A)
 &rst
  ixpk= 873, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 182, 183, 184,
 igr2= 601, 602,
 &end
#
#    0 AMB  21-2:874     42 PRO  HB-         3.50    (#    874:21  Single Ambig)
 &rst
  ixpk= 874, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 601, 602,
 &end
#
#   42 PRO  HD-          42 PRO  HG+         4.50    (#    875:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 875, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#   42 PRO  HD-          42 PRO  HG-         3.50    (#    876:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 876, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#   42 PRO  HD+          42 PRO  HG+         2.80    (#    877:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 877, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#   42 PRO  HD+          42 PRO  HG-         2.80    (#    878:21  Unique         2.30, 2.58 A)
 &rst
  ixpk= 878, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 595, 596,
 igr2= 598, 599,
 &end
#
#   41 GLN  HA           42 PRO  HG+         6.00    (#    879:21  Unique         4.41, 4.52 A)
 &rst
  ixpk= 879, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   41 GLN  HA           42 PRO  HG-         6.00    (#    880:21  Unique         4.41, 4.52 A)
 &rst
  ixpk= 880, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   42 PRO  HA           42 PRO  HG+         6.00    (#    881:21  Unique         3.85, 3.94 A)
 &rst
  ixpk= 881, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   42 PRO  HA           42 PRO  HG-         6.00    (#    882:21  Unique         3.85, 3.94 A)
 &rst
  ixpk= 882, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 598, 599,
 &end
#
#   42 PRO  HB-          42 PRO  HG+         2.80    (#    883:21  Unique         2.32, 2.58 A)
 &rst
  ixpk= 883, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   42 PRO  HB-          42 PRO  HG-         2.80    (#    884:21  Unique         2.32, 2.58 A)
 &rst
  ixpk= 884, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 601, 602,
 igr2= 598, 599,
 &end
#
#   42 PRO  HA           42 PRO  HD+         6.00    (#    885:21  Unique         3.60, 3.85 A)
 &rst
  ixpk= 885, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 595, 596,
 &end
#
#   42 PRO  HA           42 PRO  HD-         6.00    (#    886:21  Unique         3.60, 3.85 A)
 &rst
  ixpk= 886, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 595, 596,
 &end
#
#   41 GLN  HA           42 PRO  HD-         2.80    (#    887:21  Unique         2.27, 2.38 A)
 &rst
  ixpk= 887, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 595, 596,
 &end
#
#   41 GLN  HA           42 PRO  HD+         2.80    (#    888:21  Unique         2.27, 2.38 A)
 &rst
  ixpk= 888, nxpk= 21, iat= 579,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 595, 596,
 &end
#
#    0 AMB  21-2:891      0 AMB  21-1:891    4.50    (#    891:21  Double Ambig)
 &rst
  ixpk= 891, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 584, 585, 601, 602,
 igr2= 595, 596, 595, 596,
 &end
#
#    0 AMB  21-2:892      0 AMB  21-1:892    2.80    (#    892:21  Double Ambig)
 &rst
  ixpk= 892, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 581, 582, 581, 582,
 igr2= 595, 596, 595, 596,
 &end
#
#   42 PRO  HB-          42 PRO  HD+         6.00    (#    893:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 893, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#    0 AMB  21-2:894     42 PRO  HD-         4.50    (#    894:21  Single Ambig)
 &rst
  ixpk= 894, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 584, 585, 601, 602,
 igr2= 595, 596,
 &end
#
#    0 AMB  21-2:895     42 PRO  HD-         2.80    (#    895:21  Single Ambig)
 &rst
  ixpk= 895, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 581, 582, 581, 582,
 igr2= 595, 596,
 &end
#
#   42 PRO  HB-          42 PRO  HD-         4.50    (#    896:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 896, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 601, 602,
 igr2= 595, 596,
 &end
#
#   44 VAL  HN           43 ARG  HA          6.00    (#    897:21  Unique         3.27, 3.29 A)
 &rst
  ixpk= 897, nxpk= 21, iat= 632, 610, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 ARG  HN           43 ARG  HB+         6.00    (#    898:21  Unique         2.26, 3.11 A)
 &rst
  ixpk= 898, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 612, 613,
 &end
#
#   43 ARG  HN           43 ARG  HB-         6.00    (#    899:21  Unique         2.26, 3.11 A)
 &rst
  ixpk= 899, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 612, 613,
 &end
#
#   24 ILE  HA           25 GLN  HB+         6.00    (#    900:21  Unique         4.29, 4.84 A)
 &rst
  ixpk= 900, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 356,
 &end
#
#   43 ARG  HA           43 ARG  HB-         6.00    (#    901:21  Unique         2.33, 2.71 A)
 &rst
  ixpk= 901, nxpk= 21, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 612, 613,
 &end
#
#   43 ARG  HD+          43 ARG  HB-         6.00    (#    902:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 902, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 612, 613,
 &end
#
#   43 ARG  HD+          43 ARG  HB+         6.00    (#    903:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 903, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 612, 613,
 &end
#
#   43 ARG  HD-          43 ARG  HB-         6.00    (#    904:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 904, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 612, 613,
 &end
#
#   43 ARG  HD-          43 ARG  HB+         6.00    (#    905:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 905, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 612, 613,
 &end
#
#    9 ILE  MD1          43 ARG  HB+         4.50    (#    907:21  Unique         1.98, 2.89 A)
 &rst
  ixpk= 907, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126, 127,
 igr2= 612, 613,
 &end
#
#    9 ILE  MD1          43 ARG  HB-         6.00    (#    908:21  Unique         1.98, 2.89 A)
 &rst
  ixpk= 908, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 125, 126, 127,
 igr2= 612, 613,
 &end
#
#   43 ARG  HN           43 ARG  HG-         6.00    (#    909:21  Unique         1.96, 2.75 A)
 &rst
  ixpk= 909, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   43 ARG  HN           43 ARG  HG+         6.00    (#    910:21  Unique         1.96, 2.75 A)
 &rst
  ixpk= 910, nxpk= 21, iat= 608,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#    0 AMB  21-2:911      0 AMB  21-1:911    6.00    (#    911:21  Double Ambig)
 &rst
  ixpk= 911, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 610, 509,
 igr2= 615, 616, 615, 616,
 &end
#
#    0 AMB  21-2:912     43 ARG  HG-         6.00    (#    912:21  Single Ambig)
 &rst
  ixpk= 912, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 610, 509,
 igr2= 615, 616,
 &end
#
#   43 ARG  HD+          43 ARG  HG-         6.00    (#    913:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 913, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   43 ARG  HD+          43 ARG  HG+         6.00    (#    914:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 914, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   43 ARG  HD-          43 ARG  HG-         6.00    (#    915:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 915, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   43 ARG  HB-          43 ARG  HG+         2.80    (#    917:21  Unique         2.21, 2.70 A)
 &rst
  ixpk= 917, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 612, 613,
 igr2= 615, 616,
 &end
#
#   43 ARG  HE           43 ARG  HD+         6.00    (#    919:21  Unique         2.27, 2.66 A)
 &rst
  ixpk= 919, nxpk= 21, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 618, 619,
 &end
#
#   43 ARG  HE           43 ARG  HD-         4.50    (#    921:21  Unique         2.27, 2.66 A)
 &rst
  ixpk= 921, nxpk= 21, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 618, 619,
 &end
#
#   35 SER  HA           43 ARG  HD+         6.00    (#    922:21  Unique         1.99, 3.47 A)
 &rst
  ixpk= 922, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 618, 619,
 &end
#
#   35 SER  HA           43 ARG  HD-         6.00    (#    923:21  Unique         1.99, 3.47 A)
 &rst
  ixpk= 923, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 618, 619,
 &end
#
#   43 ARG  HB+          43 ARG  HD-         6.00    (#    926:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 926, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 612, 613,
 igr2= 618, 619,
 &end
#
#   43 ARG  HB+          43 ARG  HD+         4.50    (#    927:21  Unique         1.96, 3.01 A)
 &rst
  ixpk= 927, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 612, 613,
 igr2= 618, 619,
 &end
#
#   43 ARG  HG+          43 ARG  HD+         6.00    (#    928:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 928, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#   43 ARG  HG+          43 ARG  HD-         6.00    (#    929:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 929, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 618, 619,
 &end
#
#    0 AMB  21-2:930     43 ARG  HD-         4.50    (#    930:21  Single Ambig)
 &rst
  ixpk= 930, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 612, 613, 851, 852, 853, 855, 856, 857,
 igr2= 618, 619,
 &end
#
#    0 AMB  21-2:931      0 AMB  21-1:931    4.50    (#    931:21  Double Ambig)
 &rst
  ixpk= 931, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 612, 613, 851, 852, 853, 855, 856, 857,
 igr2= 618, 619, 618, 619,
 &end
#
#    9 ILE  MD1          43 ARG  HD-         4.50    (#    932:21  Unique         2.02, 3.57 A)
 &rst
  ixpk= 932, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126, 127,
 igr2= 618, 619,
 &end
#
#    9 ILE  MD1          43 ARG  HD+         4.50    (#    933:21  Unique         2.02, 3.57 A)
 &rst
  ixpk= 933, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126, 127,
 igr2= 618, 619,
 &end
#
#   58 VAL  MGX          43 ARG  HD-         4.50    (#    934:21  Unique         1.99, 4.43 A)
 &rst
  ixpk= 934, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 618, 619,
 &end
#
#   58 VAL  MGX          43 ARG  HD+         4.50    (#    935:21  Unique         1.99, 4.43 A)
 &rst
  ixpk= 935, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 618, 619,
 &end
#
#    9 ILE  HN           44 VAL  HA          6.00    (#    936:21  Unique         3.92, 4.26 A)
 &rst
  ixpk= 936, nxpk= 21, iat= 112, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 GLY  HN           44 VAL  HA          3.50    (#    937:21  Unique         3.49, 3.51 A)
 &rst
  ixpk= 937, nxpk= 21, iat= 648, 634, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   46 GLN  HN           44 VAL  HA          6.00    (#    938:21  Unique         4.53, 4.66 A)
 &rst
  ixpk= 938, nxpk= 21, iat= 655, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HN           44 VAL  HA          4.50    (#    939:21  Unique         2.69, 2.72 A)
 &rst
  ixpk= 939, nxpk= 21, iat= 632, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   45 GLY  HA+          44 VAL  HA          6.00    (#    940:21  Unique         4.60, 4.98 A)
 &rst
  ixpk= 940, nxpk= 21, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 650, 651,
 &end
#
#   45 GLY  HA-          44 VAL  HA          6.00    (#    941:21  Unique         4.60, 4.98 A)
 &rst
  ixpk= 941, nxpk= 21, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 650, 651,
 &end
#
#    9 ILE  HB           44 VAL  HA          4.50    (#    942:21  Unique         2.44, 2.93 A)
 &rst
  ixpk= 942, nxpk= 21, iat= 116, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   44 VAL  HB           44 VAL  HA          4.50    (#    943:21  Unique         2.47, 2.58 A)
 &rst
  ixpk= 943, nxpk= 21, iat= 636, 634, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HG1-         44 VAL  HA          6.00    (#    944:21  Unique         3.37, 4.07 A)
 &rst
  ixpk= 944, nxpk= 21, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#    0 AMB  21-2:945     44 VAL  HA          3.50    (#    945:21  Single Ambig)
 &rst
  ixpk= 945, nxpk= 21, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    9 ILE  MG2          44 VAL  HA          4.50    (#    946:21  Unique         3.38, 4.39 A)
 &rst
  ixpk= 946, nxpk= 21, iat=  -1, 634, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 &end
#
#   44 VAL  HN           44 VAL  HB          3.50    (#    947:21  Unique         2.23, 2.96 A)
 &rst
  ixpk= 947, nxpk= 21, iat= 632, 636, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 GLY  HN           44 VAL  HB          6.00    (#    948:21  Unique         2.69, 3.68 A)
 &rst
  ixpk= 948, nxpk= 21, iat= 648, 636, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HA           44 VAL  HB          4.50    (#    949:21  Unique         2.47, 2.58 A)
 &rst
  ixpk= 949, nxpk= 21, iat= 634, 636, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:950     44 VAL  HB          2.80    (#    950:21  Single Ambig)
 &rst
  ixpk= 950, nxpk= 21, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    9 ILE  MG2          44 VAL  HB          6.00    (#    951:21  Unique         4.99, 6.55 A)
 &rst
  ixpk= 951, nxpk= 21, iat=  -1, 636, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   45 GLY  HN           45 GLY  HA+         3.50    (#    952:21  Unique         2.33, 2.63 A)
 &rst
  ixpk= 952, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 650, 651,
 &end
#
#   45 GLY  HN           45 GLY  HA-         3.50    (#    953:21  Unique         2.33, 2.63 A)
 &rst
  ixpk= 953, nxpk= 21, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 650, 651,
 &end
#
#   46 GLN  HN           45 GLY  HA+         6.00    (#    954:21  Unique         2.81, 3.20 A)
 &rst
  ixpk= 954, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 650, 651,
 &end
#
#    8 GLN  HE2+         45 GLY  HA+         6.00    (#    955:21  Unique         2.27, 3.93 A)
 &rst
  ixpk= 955, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 650, 651,
 &end
#
#    8 GLN  HE2+         45 GLY  HA-         6.00    (#    956:21  Unique         2.27, 3.93 A)
 &rst
  ixpk= 956, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 650, 651,
 &end
#
#   46 GLN  HN           45 GLY  HA-         6.00    (#    957:21  Unique         2.81, 3.20 A)
 &rst
  ixpk= 957, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 650, 651,
 &end
#
#    8 GLN  HE2-         45 GLY  HA-         6.00    (#    958:21  Unique         2.27, 3.93 A)
 &rst
  ixpk= 958, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 650, 651,
 &end
#
#    8 GLN  HE2-         45 GLY  HA+         6.00    (#    959:21  Unique         2.27, 3.93 A)
 &rst
  ixpk= 959, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 107, 108,
 igr2= 650, 651,
 &end
#
#   44 VAL  HA           45 GLY  HA-         6.00    (#    962:21  Unique         4.60, 4.98 A)
 &rst
  ixpk= 962, nxpk= 21, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 650, 651,
 &end
#
#   44 VAL  HA           45 GLY  HA+         6.00    (#    963:21  Unique         4.60, 4.98 A)
 &rst
  ixpk= 963, nxpk= 21, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 650, 651,
 &end
#
#    8 GLN  HG+          45 GLY  HA-         6.00    (#    964:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 964, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 650, 651,
 &end
#
#    0 AMB  21-2:965      0 AMB  21-1:965    6.00    (#    965:21  Double Ambig)
 &rst
  ixpk= 965, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 650, 651, 650, 651,
 &end
#
#    0 AMB  21-2:966     45 GLY  HA-         6.00    (#    966:21  Single Ambig)
 &rst
  ixpk= 966, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 650, 651,
 &end
#
#    8 GLN  HG-          45 GLY  HA-         6.00    (#    967:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 967, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 650, 651,
 &end
#
#    8 GLN  HG+          45 GLY  HA+         6.00    (#    968:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 968, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 650, 651,
 &end
#
#    8 GLN  HG-          45 GLY  HA+         6.00    (#    969:21  Unique         3.88, 4.79 A)
 &rst
  ixpk= 969, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 650, 651,
 &end
#
#   47 TRP  HN           46 GLN  HB+         4.50    (#    970:21  Unique         2.70, 3.54 A)
 &rst
  ixpk= 970, nxpk= 21, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 659, 660,
 &end
#
#   47 TRP  HN           46 GLN  HB-         6.00    (#    971:21  Unique         2.70, 3.54 A)
 &rst
  ixpk= 971, nxpk= 21, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 659, 660,
 &end
#
#   46 GLN  HN           46 GLN  HB-         3.50    (#    972:21  Unique         2.09, 2.81 A)
 &rst
  ixpk= 972, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 659, 660,
 &end
#
#   46 GLN  HN           46 GLN  HB+         6.00    (#    973:21  Unique         2.09, 2.81 A)
 &rst
  ixpk= 973, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 659, 660,
 &end
#
#   46 GLN  HA           46 GLN  HB+         4.50    (#    974:21  Unique         2.62, 2.83 A)
 &rst
  ixpk= 974, nxpk= 21, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 659, 660,
 &end
#
#   46 GLN  HA           46 GLN  HB-         4.50    (#    975:21  Unique         2.62, 2.83 A)
 &rst
  ixpk= 975, nxpk= 21, iat= 657,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 659, 660,
 &end
#
#    0 AMB  21-2:976      0 AMB  21-1:976    4.50    (#    976:21  Double Ambig)
 &rst
  ixpk= 976, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.02, r4= 8.52,
 igr1= 851, 852, 853, 855, 856, 857, 612, 613,
 igr2= 659, 660, 659, 660,
 &end
#
#    0 AMB  21-2:977     46 GLN  HB-         6.00    (#    977:21  Single Ambig)
 &rst
  ixpk= 977, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 851, 852, 853, 855, 856, 857, 612, 613,
 igr2= 659, 660,
 &end
#
#    9 ILE  MD1          46 GLN  HB-         4.50    (#    978:21  Unique         3.18, 4.42 A)
 &rst
  ixpk= 978, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126, 127,
 igr2= 659, 660,
 &end
#
#    9 ILE  MD1          46 GLN  HB+         6.00    (#    979:21  Unique         3.18, 4.42 A)
 &rst
  ixpk= 979, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 125, 126, 127,
 igr2= 659, 660,
 &end
#
#    7 GLY  HN           47 TRP  HA          6.00    (#    980:21  Unique         4.42, 4.69 A)
 &rst
  ixpk= 980, nxpk= 21, iat=  88, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HN           47 TRP  HA          2.80    (#    981:21  Unique         2.27, 2.41 A)
 &rst
  ixpk= 981, nxpk= 21, iat= 696, 674, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  21-2:982     47 TRP  HA          4.50    (#    982:21  Single Ambig)
 &rst
  ixpk= 982, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 112, 672,
 &end
#
#   47 TRP  HD1          47 TRP  HA          6.00    (#    983:21  Unique         3.01, 3.07 A)
 &rst
  ixpk= 983, nxpk= 21, iat= 680, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HE3          47 TRP  HA          4.50    (#    984:21  Unique         4.40, 4.45 A)
 &rst
  ixpk= 984, nxpk= 21, iat= 691, 674, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    8 GLN  HN           47 TRP  HA          6.00    (#    985:21  Unique         4.83, 4.98 A)
 &rst
  ixpk= 985, nxpk= 21, iat=  95, 674, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HB+          47 TRP  HA          4.50    (#    986:21  Unique         2.55, 2.79 A)
 &rst
  ixpk= 986, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   47 TRP  HB-          47 TRP  HA          4.50    (#    987:21  Unique         2.55, 2.79 A)
 &rst
  ixpk= 987, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#    0 AMB  21-2:988     47 TRP  HA          4.50    (#    988:21  Single Ambig)
 &rst
  ixpk= 988, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 702, 703, 704, 706, 707, 708, 276, 277, 278, 280,
       281, 282,
 &end
#
#   48 VAL  MGY          47 TRP  HA          6.00    (#    989:21  Unique         3.36, 5.56 A)
 &rst
  ixpk= 989, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HN           47 TRP  HB+         6.00    (#    990:21  Unique         2.17, 3.09 A)
 &rst
  ixpk= 990, nxpk= 21, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   48 VAL  HN           47 TRP  HB-         6.00    (#    991:21  Unique         2.17, 3.09 A)
 &rst
  ixpk= 991, nxpk= 21, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   47 TRP  HN           47 TRP  HB-         6.00    (#    992:21  Unique         2.36, 3.00 A)
 &rst
  ixpk= 992, nxpk= 21, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   47 TRP  HN           47 TRP  HB+         4.50    (#    993:21  Unique         2.36, 3.00 A)
 &rst
  ixpk= 993, nxpk= 21, iat= 672,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   47 TRP  HD1          47 TRP  HB+         6.00    (#    994:21  Unique         3.09, 3.50 A)
 &rst
  ixpk= 994, nxpk= 21, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   47 TRP  HE3          47 TRP  HB+         6.00    (#    995:21  Unique         2.42, 3.04 A)
 &rst
  ixpk= 995, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   47 TRP  HE3          47 TRP  HB-         4.50    (#    996:21  Unique         2.42, 3.04 A)
 &rst
  ixpk= 996, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   47 TRP  HD1          47 TRP  HB-         6.00    (#    997:21  Unique         3.09, 3.50 A)
 &rst
  ixpk= 997, nxpk= 21, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   47 TRP  HA           47 TRP  HB+         4.50    (#    998:21  Unique         2.55, 2.79 A)
 &rst
  ixpk= 998, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   47 TRP  HA           47 TRP  HB-         4.50    (#    999:21  Unique         2.55, 2.79 A)
 &rst
  ixpk= 999, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 676, 677,
 &end
#
#   59 ILE  HG1-         47 TRP  HB-         6.00    (#   1002:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1002, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 871, 872,
 igr2= 676, 677,
 &end
#
#   59 ILE  HG1-         47 TRP  HB+         4.50    (#   1003:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1003, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 871, 872,
 igr2= 676, 677,
 &end
#
#   59 ILE  HG1+         47 TRP  HB+         6.00    (#   1004:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1004, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 871, 872,
 igr2= 676, 677,
 &end
#
#   59 ILE  HG1+         47 TRP  HB-         6.00    (#   1005:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1005, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 871, 872,
 igr2= 676, 677,
 &end
#
#   64 ALA  MB           47 TRP  HB-         4.50    (#   1006:21  Unique         2.64, 3.76 A)
 &rst
  ixpk= 1006, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 938, 939, 940,
 igr2= 676, 677,
 &end
#
#   64 ALA  MB           47 TRP  HB+         4.50    (#   1007:21  Unique         2.64, 3.76 A)
 &rst
  ixpk= 1007, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 938, 939, 940,
 igr2= 676, 677,
 &end
#
#   48 VAL  HN           48 VAL  HA          6.00    (#   1008:21  Unique         2.87, 2.91 A)
 &rst
  ixpk= 1008, nxpk= 21, iat= 696, 698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ILE  HN           48 VAL  HA          4.50    (#   1009:21  Unique         2.33, 2.70 A)
 &rst
  ixpk= 1009, nxpk= 21, iat= 861, 698, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LEU  HN           48 VAL  HA          3.50    (#   1010:21  Unique         2.16, 2.19 A)
 &rst
  ixpk= 1010, nxpk= 21, iat= 712, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HN           48 VAL  HA          6.00    (#   1011:21  Unique         4.06, 4.35 A)
 &rst
  ixpk= 1011, nxpk= 21, iat= 834, 698, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  HA           48 VAL  HA          3.50    (#   1012:21  Unique         2.54, 2.95 A)
 &rst
  ixpk= 1012, nxpk= 21, iat= 847, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   48 VAL  HB           48 VAL  HA          3.50    (#   1013:21  Unique         2.39, 2.43 A)
 &rst
  ixpk= 1013, nxpk= 21, iat= 700, 698, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   59 ILE  HG1-         48 VAL  HA          6.00    (#   1014:21  Unique         2.34, 3.33 A)
 &rst
  ixpk= 1014, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#    0 AMB  21-2:1015    48 VAL  HA          6.00    (#   1015:21  Single Ambig)
 &rst
  ixpk= 1015, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 716, 717, 811, 812, 813,
 &end
#
#   58 VAL  MGY          48 VAL  HA          6.00    (#   1016:21  Unique         4.00, 5.66 A)
 &rst
  ixpk= 1016, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   48 VAL  MGY          48 VAL  HA          2.80    (#   1017:21  Unique         2.32, 3.50 A)
 &rst
  ixpk= 1017, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  21-2:1018    48 VAL  HA          4.50    (#   1018:21  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 721, 722, 723, 725, 726, 727, 874, 875, 876,
 &end
#
#   49 LEU  HN           48 VAL  HB          4.50    (#   1019:21  Unique         3.97, 4.07 A)
 &rst
  ixpk= 1019, nxpk= 21, iat= 712, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  HA           48 VAL  HB          4.50    (#   1020:21  Unique         2.39, 2.43 A)
 &rst
  ixpk= 1020, nxpk= 21, iat= 698, 700, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ALA  MB           48 VAL  HB          4.50    (#   1022:21  Unique         4.15, 5.35 A)
 &rst
  ixpk= 1022, nxpk= 21, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 811, 812, 813,
 &end
#
#    0 AMB  21-2:1023    48 VAL  HB          3.50    (#   1023:21  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 21, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 702, 703, 704, 706, 707, 708, 851, 852, 853, 855,
       856, 857,
 &end
#
#   48 VAL  MGX          48 VAL  HB          3.50    (#   1024:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1024, nxpk= 21, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HA           48 VAL  MGY         3.50    (#   1025:21  Unique         2.32, 3.50 A)
 &rst
  ixpk= 1025, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    6 PRO  HA           48 VAL  MGY         6.00    (#   1026:21  Unique         5.18, 6.30 A)
 &rst
  ixpk= 1026, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   58 VAL  HA           48 VAL  MGY         3.50    (#   1027:21  Unique         2.20, 4.60 A)
 &rst
  ixpk= 1027, nxpk= 21, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HB           48 VAL  MGY         2.80    (#   1028:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1028, nxpk= 21, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   56 MET  HN           48 VAL  MGX         4.50    (#   1029:21  Unique         3.02, 4.96 A)
 &rst
  ixpk= 1029, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HN           48 VAL  MGX         3.50    (#   1030:21  Unique         2.12, 4.00 A)
 &rst
  ixpk= 1030, nxpk= 21, iat= 696,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HA           48 VAL  MGX         6.00    (#   1031:21  Unique         2.32, 3.50 A)
 &rst
  ixpk= 1031, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   47 TRP  HA           48 VAL  MGX         4.50    (#   1032:21  Unique         3.36, 5.56 A)
 &rst
  ixpk= 1032, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  21-2:1034    48 VAL  MGX         6.00    (#   1034:21  Single Ambig)
 &rst
  ixpk= 1034, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 836, 272, 714,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  HB           48 VAL  MGX         2.80    (#   1035:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1035, nxpk= 21, iat= 700,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    9 ILE  HG1-         48 VAL  MGX         4.50    (#   1036:21  Unique         1.99, 4.36 A)
 &rst
  ixpk= 1036, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 122, 123,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   55 ALA  MB           48 VAL  MGX         3.50    (#   1037:21  Unique         2.00, 4.71 A)
 &rst
  ixpk= 1037, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 811, 812, 813,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   49 LEU  HN           49 LEU  HB+         4.50    (#   1039:21  Unique         2.23, 3.03 A)
 &rst
  ixpk= 1039, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 716, 717,
 &end
#
#   49 LEU  HN           49 LEU  HB-         6.00    (#   1040:21  Unique         2.23, 3.03 A)
 &rst
  ixpk= 1040, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   57 SER  HN           49 LEU  HB+         6.00    (#   1041:21  Unique         2.54, 3.90 A)
 &rst
  ixpk= 1041, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   49 LEU  HA           49 LEU  HB+         6.00    (#   1042:21  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1042, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   49 LEU  HA           49 LEU  HB-         6.00    (#   1043:21  Unique         2.39, 2.73 A)
 &rst
  ixpk= 1043, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   49 LEU  MDX          49 LEU  HB+         3.50    (#   1046:21  Unique         1.99, 3.31 A)
 &rst
  ixpk= 1046, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2= 716, 717,
 &end
#
#   49 LEU  MDX          49 LEU  HB-         3.50    (#   1047:21  Unique         1.99, 3.31 A)
 &rst
  ixpk= 1047, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2= 716, 717,
 &end
#
#   49 LEU  HN           49 LEU  HG          6.00    (#   1048:21  Unique         2.12, 2.90 A)
 &rst
  ixpk= 1048, nxpk= 21, iat= 712, 719, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HA           49 LEU  HG          6.00    (#   1049:21  Unique         2.62, 3.12 A)
 &rst
  ixpk= 1049, nxpk= 21, iat= 714, 719, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1051    49 LEU  HG          4.50    (#   1051:21  Single Ambig)
 &rst
  ixpk= 1051, nxpk= 21, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 871, 872, 867, 868, 869,
 &end
#
#   49 LEU  MDX          49 LEU  HG          2.80    (#   1052:21  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1052, nxpk= 21, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HN           49 LEU  MDX         6.00    (#   1053:21  Unique         2.15, 3.84 A)
 &rst
  ixpk= 1053, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   67 THR  HB           49 LEU  MDX         6.00    (#   1054:21  Unique         3.54, 5.74 A)
 &rst
  ixpk= 1054, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#    6 PRO  HA           49 LEU  MDY         4.50    (#   1056:21  Unique         2.64, 4.96 A)
 &rst
  ixpk= 1056, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   50 VAL  MGY          50 VAL  HA          2.80    (#   1057:21  Unique         2.43, 3.27 A)
 &rst
  ixpk= 1057, nxpk= 21, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  HB           50 VAL  HA          6.00    (#   1058:21  Unique         2.33, 2.78 A)
 &rst
  ixpk= 1058, nxpk= 21, iat= 735, 733, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 HIS  HN           50 VAL  HA          2.80    (#   1059:21  Unique         2.14, 2.18 A)
 &rst
  ixpk= 1059, nxpk= 21, iat= 747, 733, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   50 VAL  HN           50 VAL  HB          4.50    (#   1060:21  Unique         2.42, 2.93 A)
 &rst
  ixpk= 1060, nxpk= 21, iat= 731, 735, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HA           50 VAL  HB          3.50    (#   1061:21  Unique         2.33, 2.78 A)
 &rst
  ixpk= 1061, nxpk= 21, iat= 733, 735, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   50 VAL  MGY          50 VAL  HB          2.80    (#   1062:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1062, nxpk= 21, iat=  -1, 735, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  HN           50 VAL  MGY         4.50    (#   1063:21  Unique         1.94, 3.65 A)
 &rst
  ixpk= 1063, nxpk= 21, iat= 731,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  HA           50 VAL  MGY         3.50    (#   1064:21  Unique         2.43, 3.27 A)
 &rst
  ixpk= 1064, nxpk= 21, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  HB           50 VAL  MGY         2.80    (#   1065:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1065, nxpk= 21, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   52 VAL  HN           51 HIS  HA          4.50    (#   1066:21  Unique         2.53, 2.54 A)
 &rst
  ixpk= 1066, nxpk= 21, iat= 764, 749, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HB-          51 HIS  HA          4.50    (#   1067:21  Unique         2.62, 2.82 A)
 &rst
  ixpk= 1067, nxpk= 21, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   43 ARG  HG-          36 CYS  HA          4.50    (#   1068:21  Unique         2.39, 3.49 A)
 &rst
  ixpk= 1068, nxpk= 21, iat=  -1, 520, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#   51 HIS  HN           51 HIS  HB+         6.00    (#   1069:21  Unique         2.41, 2.85 A)
 &rst
  ixpk= 1069, nxpk= 21, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#   51 HIS  HN           51 HIS  HB-         6.00    (#   1070:21  Unique         2.41, 2.85 A)
 &rst
  ixpk= 1070, nxpk= 21, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#   51 HIS  HD2          51 HIS  HB+         6.00    (#   1071:21  Unique         2.72, 3.40 A)
 &rst
  ixpk= 1071, nxpk= 21, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#   51 HIS  HD2          51 HIS  HB-         6.00    (#   1072:21  Unique         2.72, 3.40 A)
 &rst
  ixpk= 1072, nxpk= 21, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#   51 HIS  HA           51 HIS  HB+         6.00    (#   1073:21  Unique         2.62, 2.82 A)
 &rst
  ixpk= 1073, nxpk= 21, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#   51 HIS  HA           51 HIS  HB-         6.00    (#   1074:21  Unique         2.62, 2.82 A)
 &rst
  ixpk= 1074, nxpk= 21, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 751, 752,
 &end
#
#    0 AMB  21-2:1075     0 AMB  21-1:1075   6.00    (#   1075:21  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=  53,  54,  53,  54,
 igr2= 751, 752, 751, 752,
 &end
#
#    0 AMB  21-2:1076    51 HIS  HB-         6.00    (#   1076:21  Single Ambig)
 &rst
  ixpk= 1076, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  53,  54,  53,  54,
 igr2= 751, 752,
 &end
#
#   52 VAL  HN           52 VAL  HA          3.50    (#   1079:21  Unique         2.70, 2.73 A)
 &rst
  ixpk= 1079, nxpk= 21, iat= 764, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 PHE  HN           52 VAL  HA          6.00    (#   1080:21  Unique         4.90, 5.05 A)
 &rst
  ixpk= 1080, nxpk= 21, iat= 787, 766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 GLY  HN           52 VAL  HA          4.50    (#   1081:21  Unique         3.50, 3.54 A)
 &rst
  ixpk= 1081, nxpk= 21, iat= 780, 766, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HA           52 VAL  HA          6.00    (#   1082:21  Unique         4.30, 4.30 A)
 &rst
  ixpk= 1082, nxpk= 21, iat= 749, 766, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 GLY  HA+          52 VAL  HA          6.00    (#   1083:21  Unique         4.55, 4.76 A)
 &rst
  ixpk= 1083, nxpk= 21, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 782, 783,
 &end
#
#   52 VAL  HB           52 VAL  HA          3.50    (#   1084:21  Unique         2.39, 2.87 A)
 &rst
  ixpk= 1084, nxpk= 21, iat= 768, 766, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 VAL  MGY          52 VAL  HA          3.50    (#   1085:21  Unique         2.17, 3.21 A)
 &rst
  ixpk= 1085, nxpk= 21, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  MGX          52 VAL  HA          4.50    (#   1086:21  Unique         2.17, 3.21 A)
 &rst
  ixpk= 1086, nxpk= 21, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HN           52 VAL  HB          6.00    (#   1087:21  Unique         2.57, 2.85 A)
 &rst
  ixpk= 1087, nxpk= 21, iat= 764, 768, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 GLY  HN           52 VAL  HB          4.50    (#   1088:21  Unique         2.43, 2.92 A)
 &rst
  ixpk= 1088, nxpk= 21, iat= 780, 768, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  HA           52 VAL  HB          3.50    (#   1089:21  Unique         2.39, 2.87 A)
 &rst
  ixpk= 1089, nxpk= 21, iat= 766, 768, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   52 VAL  MGY          52 VAL  HB          3.50    (#   1090:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1090, nxpk= 21, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  MGX          52 VAL  HB          3.50    (#   1091:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1091, nxpk= 21, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HN           52 VAL  MGY         6.00    (#   1092:21  Unique         1.94, 3.56 A)
 &rst
  ixpk= 1092, nxpk= 21, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   53 GLY  HN           52 VAL  MGY         6.00    (#   1093:21  Unique         1.94, 4.29 A)
 &rst
  ixpk= 1093, nxpk= 21, iat= 780,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#    2 CYS  HA           52 VAL  MGY         6.00    (#   1094:21  Unique         3.21, 5.97 A)
 &rst
  ixpk= 1094, nxpk= 21, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HA           52 VAL  MGY         3.50    (#   1095:21  Unique         2.17, 3.21 A)
 &rst
  ixpk= 1095, nxpk= 21, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HB           52 VAL  MGY         2.80    (#   1096:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1096, nxpk= 21, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HN           52 VAL  MGX         6.00    (#   1097:21  Unique         1.94, 3.56 A)
 &rst
  ixpk= 1097, nxpk= 21, iat= 764,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   51 HIS  HD2          52 VAL  MGX         6.00    (#   1098:21  Unique         2.73, 5.79 A)
 &rst
  ixpk= 1098, nxpk= 21, iat= 760,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   51 HIS  HA           52 VAL  MGX         6.00    (#   1099:21  Unique         3.95, 5.79 A)
 &rst
  ixpk= 1099, nxpk= 21, iat= 749,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#    2 CYS  HA           52 VAL  MGX         6.00    (#   1100:21  Unique         3.21, 5.97 A)
 &rst
  ixpk= 1100, nxpk= 21, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   51 HIS  HB+          52 VAL  MGX         6.00    (#   1101:21  Unique         3.30, 6.39 A)
 &rst
  ixpk= 1101, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 751, 752,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   29 ASP  HN           54 PHE  HA          4.50    (#   1103:21  Unique         2.57, 2.82 A)
 &rst
  ixpk= 1103, nxpk= 21, iat= 420, 789, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ALA  HN           54 PHE  HA          3.50    (#   1104:21  Unique         2.31, 2.68 A)
 &rst
  ixpk= 1104, nxpk= 21, iat= 807, 789, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   54 PHE  HD           54 PHE  HA          4.50    (#   1105:21  Unique         2.74, 3.56 A)
 &rst
  ixpk= 1105, nxpk= 21, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 795, 803,
 &end
#
#   54 PHE  HB+          54 PHE  HA          4.50    (#   1106:21  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1106, nxpk= 21, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   54 PHE  HB-          54 PHE  HA          4.50    (#   1107:21  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1107, nxpk= 21, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   29 ASP  HB-          54 PHE  HA          4.50    (#   1108:21  Unique         2.00, 2.72 A)
 &rst
  ixpk= 1108, nxpk= 21, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 424, 425,
 &end
#
#    0 AMB  21-2:1109    54 PHE  HA          4.50    (#   1109:21  Single Ambig)
 &rst
  ixpk= 1109, nxpk= 21, iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   30 LEU  HN           55 ALA  MB          6.00    (#   1110:21  Unique         4.69, 5.68 A)
 &rst
  ixpk= 1110, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 811, 812, 813,
 &end
#
#   56 MET  HN           55 ALA  MB          4.50    (#   1111:21  Unique         2.83, 3.95 A)
 &rst
  ixpk= 1111, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 811, 812, 813,
 &end
#
#   49 LEU  HN           55 ALA  MB          6.00    (#   1112:21  Unique         4.97, 6.38 A)
 &rst
  ixpk= 1112, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 811, 812, 813,
 &end
#
#   55 ALA  HN           55 ALA  MB          4.50    (#   1113:21  Unique         2.20, 2.99 A)
 &rst
  ixpk= 1113, nxpk= 21, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 811, 812, 813,
 &end
#
#   57 SER  HN           55 ALA  MB          6.00    (#   1114:21  Unique         3.65, 4.65 A)
 &rst
  ixpk= 1114, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 811, 812, 813,
 &end
#
#   48 VAL  HA           55 ALA  MB          6.00    (#   1115:21  Unique         5.12, 6.55 A)
 &rst
  ixpk= 1115, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 811, 812, 813,
 &end
#
#   54 PHE  HA           55 ALA  MB          6.00    (#   1116:21  Unique         4.46, 5.12 A)
 &rst
  ixpk= 1116, nxpk= 21, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 811, 812, 813,
 &end
#
#   30 LEU  HA           55 ALA  MB          3.50    (#   1118:21  Unique         2.10, 3.08 A)
 &rst
  ixpk= 1118, nxpk= 21, iat= 434,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 811, 812, 813,
 &end
#
#    0 AMB  21-2:1119    55 ALA  MB          6.00    (#   1119:21  Single Ambig)
 &rst
  ixpk= 1119, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 488, 424, 425,
 igr2= 811, 812, 813,
 &end
#
#    0 AMB  21-2:1120    55 ALA  MB          4.50    (#   1120:21  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 700, 849,
 igr2= 811, 812, 813,
 &end
#
#    0 AMB  21-2:1121    55 ALA  MB          6.00    (#   1121:21  Single Ambig)
 &rst
  ixpk= 1121, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 436, 437, 436, 437,
 igr2= 811, 812, 813,
 &end
#
#   33 VAL  MGX          55 ALA  MB          3.50    (#   1122:21  Unique         1.99, 4.13 A)
 &rst
  ixpk= 1122, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 490, 491, 492, 494, 495, 496,
 igr2= 811, 812, 813,
 &end
#
#    0 AMB  21-2:1123    55 ALA  MB          3.50    (#   1123:21  Single Ambig)
 &rst
  ixpk= 1123, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 702, 703, 704, 706, 707, 708, 410, 411, 412, 414,
       415, 416,
 igr2= 811, 812, 813,
 &end
#
#   30 LEU  MDY          55 ALA  MB          3.50    (#   1124:21  Unique         2.00, 5.10 A)
 &rst
  ixpk= 1124, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 811, 812, 813,
 &end
#
#   32 LEU  MDX          56 MET  HA          4.50    (#   1125:21  Unique         3.62, 6.53 A)
 &rst
  ixpk= 1125, nxpk= 21, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   56 MET  HB+          56 MET  HA          4.50    (#   1126:21  Unique         2.69, 2.84 A)
 &rst
  ixpk= 1126, nxpk= 21, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 MET  HG-          56 MET  HA          4.50    (#   1127:21  Unique         2.05, 2.74 A)
 &rst
  ixpk= 1127, nxpk= 21, iat=  -1, 819, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#   56 MET  HN           56 MET  HB-         6.00    (#   1128:21  Unique         2.06, 2.66 A)
 &rst
  ixpk= 1128, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 821, 822,
 &end
#
#   56 MET  HN           56 MET  HB+         6.00    (#   1129:21  Unique         2.06, 2.66 A)
 &rst
  ixpk= 1129, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 821, 822,
 &end
#
#   57 SER  HN           56 MET  HB-         6.00    (#   1130:21  Unique         2.39, 2.83 A)
 &rst
  ixpk= 1130, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 821, 822,
 &end
#
#   47 TRP  HE3           6 PRO  HB-         6.00    (#   1131:21  Unique         2.16, 3.20 A)
 &rst
  ixpk= 1131, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  81,  82,
 &end
#
#   56 MET  HG-          56 MET  HB-         6.00    (#   1132:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 1132, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 824, 825,
 igr2= 821, 822,
 &end
#
#   56 MET  HG+          56 MET  HB+         6.00    (#   1133:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 1133, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 824, 825,
 igr2= 821, 822,
 &end
#
#   56 MET  HN           56 MET  HG-         6.00    (#   1134:21  Unique         3.35, 3.99 A)
 &rst
  ixpk= 1134, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 824, 825,
 &end
#
#   56 MET  HN           56 MET  HG+         6.00    (#   1135:21  Unique         3.35, 3.99 A)
 &rst
  ixpk= 1135, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 824, 825,
 &end
#
#   51 HIS  HN           56 MET  HG+         6.00    (#   1136:21  Unique         4.43, 5.70 A)
 &rst
  ixpk= 1136, nxpk= 21, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 824, 825,
 &end
#
#   56 MET  HA           56 MET  HG-         6.00    (#   1137:21  Unique         2.05, 2.74 A)
 &rst
  ixpk= 1137, nxpk= 21, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 824, 825,
 &end
#
#   56 MET  HA           56 MET  HG+         6.00    (#   1138:21  Unique         2.05, 2.74 A)
 &rst
  ixpk= 1138, nxpk= 21, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 824, 825,
 &end
#
#   58 VAL  HN           57 SER  HA          2.80    (#   1139:21  Unique         2.19, 2.29 A)
 &rst
  ixpk= 1139, nxpk= 21, iat= 845, 836, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   57 SER  HN           57 SER  HA          4.50    (#   1140:21  Unique         2.80, 2.83 A)
 &rst
  ixpk= 1140, nxpk= 21, iat= 834, 836, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   57 SER  HB-          57 SER  HA          2.80    (#   1141:21  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1141, nxpk= 21, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 838, 839,
 &end
#
#   58 VAL  HB           57 SER  HA          6.00    (#   1142:21  Unique         4.42, 4.75 A)
 &rst
  ixpk= 1142, nxpk= 21, iat= 849, 836, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGY          57 SER  HA          3.50    (#   1143:21  Unique         2.80, 5.06 A)
 &rst
  ixpk= 1143, nxpk= 21, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#    0 AMB  21-2:1144    57 SER  HA          4.50    (#   1144:21  Single Ambig)
 &rst
  ixpk= 1144, nxpk= 21, iat=  -1, 836, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 851, 852, 853, 855, 856, 857, 702, 703, 704, 706,
       707, 708,
 &end
#
#   58 VAL  HN           57 SER  HB-         4.50    (#   1145:21  Unique         2.27, 3.50 A)
 &rst
  ixpk= 1145, nxpk= 21, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 838, 839,
 &end
#
#   58 VAL  HN           57 SER  HB+         4.50    (#   1146:21  Unique         2.27, 3.50 A)
 &rst
  ixpk= 1146, nxpk= 21, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 838, 839,
 &end
#
#   57 SER  HN           57 SER  HB-         6.00    (#   1147:21  Unique         2.88, 3.43 A)
 &rst
  ixpk= 1147, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 838, 839,
 &end
#
#   57 SER  HN           57 SER  HB+         6.00    (#   1148:21  Unique         2.88, 3.43 A)
 &rst
  ixpk= 1148, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 838, 839,
 &end
#
#   57 SER  HA           57 SER  HB-         3.50    (#   1149:21  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1149, nxpk= 21, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 838, 839,
 &end
#
#   57 SER  HA           57 SER  HB+         3.50    (#   1150:21  Unique         2.24, 2.82 A)
 &rst
  ixpk= 1150, nxpk= 21, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 838, 839,
 &end
#
#   49 LEU  MDX          57 SER  HB-         4.50    (#   1151:21  Unique         2.18, 5.29 A)
 &rst
  ixpk= 1151, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2= 838, 839,
 &end
#
#   49 LEU  MDX          57 SER  HB+         4.50    (#   1152:21  Unique         2.18, 5.29 A)
 &rst
  ixpk= 1152, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2= 838, 839,
 &end
#
#   58 VAL  HN           58 VAL  HB          3.50    (#   1153:21  Unique         2.45, 2.62 A)
 &rst
  ixpk= 1153, nxpk= 21, iat= 845, 849, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  HA           58 VAL  HB          4.50    (#   1154:21  Unique         2.39, 2.93 A)
 &rst
  ixpk= 1154, nxpk= 21, iat= 847, 849, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  MGY          58 VAL  HB          2.80    (#   1155:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1155, nxpk= 21, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  MGX          58 VAL  HB          2.80    (#   1156:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1156, nxpk= 21, iat=  -1, 849, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   59 ILE  HN           58 VAL  HB          6.00    (#   1157:21  Unique         4.10, 4.25 A)
 &rst
  ixpk= 1157, nxpk= 21, iat= 861, 849, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  HN           58 VAL  MGY         4.50    (#   1158:21  Unique         1.96, 3.85 A)
 &rst
  ixpk= 1158, nxpk= 21, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  HN           58 VAL  MGX         4.50    (#   1159:21  Unique         1.96, 3.85 A)
 &rst
  ixpk= 1159, nxpk= 21, iat= 845,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   59 ILE  HN           58 VAL  MGY         3.50    (#   1160:21  Unique         2.36, 4.41 A)
 &rst
  ixpk= 1160, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  HA           58 VAL  MGY         3.50    (#   1163:21  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1163, nxpk= 21, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  HA           58 VAL  MGX         3.50    (#   1164:21  Unique         2.21, 3.17 A)
 &rst
  ixpk= 1164, nxpk= 21, iat= 847,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#    0 AMB  21-2:1165    58 VAL  MGX         4.50    (#   1165:21  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 531, 657,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   43 ARG  HD+          58 VAL  MGX         4.50    (#   1166:21  Unique         1.99, 4.43 A)
 &rst
  ixpk= 1166, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 618, 619,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   43 ARG  HD+          58 VAL  MGY         6.00    (#   1167:21  Unique         1.99, 4.43 A)
 &rst
  ixpk= 1167, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 618, 619,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   33 VAL  HB           58 VAL  MGX         4.50    (#   1168:21  Unique         2.24, 4.66 A)
 &rst
  ixpk= 1168, nxpk= 21, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   46 GLN  HB+          58 VAL  MGY         4.50    (#   1169:21  Unique         2.16, 5.09 A)
 &rst
  ixpk= 1169, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 659, 660,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#    0 AMB  21-2:1170    58 VAL  MGY         2.80    (#   1170:21  Single Ambig)
 &rst
  ixpk= 1170, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 849, 700,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  HB           58 VAL  MGX         2.80    (#   1171:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1171, nxpk= 21, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2= 851, 852, 853, 855, 856, 857,
 &end
#
#   60 ASN  HN           59 ILE  HB          3.50    (#   1172:21  Unique         1.90, 1.93 A)
 &rst
  ixpk= 1172, nxpk= 21, iat= 880, 865, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:1174    59 ILE  HB          4.50    (#   1174:21  Single Ambig)
 &rst
  ixpk= 1174, nxpk= 21, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924, 926, 927,
 &end
#
#   59 ILE  HG1-         59 ILE  HB          2.80    (#   1175:21  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1175, nxpk= 21, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 871, 872,
 &end
#
#    0 AMB  21-2:1176    59 ILE  HB          2.80    (#   1176:21  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 21, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1= 867, 868, 869, 871, 872,
 &end
#
#   59 ILE  HN           59 ILE  HG1-        4.50    (#   1177:21  Unique         2.01, 2.70 A)
 &rst
  ixpk= 1177, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 871, 872,
 &end
#
#   59 ILE  HN           59 ILE  HG1+        4.50    (#   1178:21  Unique         2.01, 2.70 A)
 &rst
  ixpk= 1178, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 871, 872,
 &end
#
#    0 AMB  21-2:1180     0 AMB  21-1:1180   6.00    (#   1180:21  Double Ambig)
 &rst
  ixpk= 1180, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 863, 882, 847,
 igr2= 871, 872, 871, 872, 871, 872,
 &end
#
#   47 TRP  HB+          59 ILE  HG1-        6.00    (#   1181:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1181, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 676, 677,
 igr2= 871, 872,
 &end
#
#   47 TRP  HB+          59 ILE  HG1+        6.00    (#   1182:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1182, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 676, 677,
 igr2= 871, 872,
 &end
#
#   47 TRP  HB-          59 ILE  HG1+        6.00    (#   1183:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1183, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 676, 677,
 igr2= 871, 872,
 &end
#
#   47 TRP  HB-          59 ILE  HG1-        6.00    (#   1184:21  Unique         2.28, 3.27 A)
 &rst
  ixpk= 1184, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 676, 677,
 igr2= 871, 872,
 &end
#
#   59 ILE  HB           59 ILE  HG1-        4.50    (#   1185:21  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1185, nxpk= 21, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 871, 872,
 &end
#
#   59 ILE  HB           59 ILE  HG1+        6.00    (#   1186:21  Unique         2.44, 2.75 A)
 &rst
  ixpk= 1186, nxpk= 21, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 871, 872,
 &end
#
#   60 ASN  HN           59 ILE  HG1-        6.00    (#   1189:21  Unique         2.77, 3.51 A)
 &rst
  ixpk= 1189, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 871, 872,
 &end
#
#    0 AMB  21-2:1190    59 ILE  MG2         4.50    (#   1190:21  Single Ambig)
 &rst
  ixpk= 1190, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 845, 880,
 igr2= 867, 868, 869,
 &end
#
#   59 ILE  HN           59 ILE  MG2         4.50    (#   1191:21  Unique         2.66, 3.68 A)
 &rst
  ixpk= 1191, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 867, 868, 869,
 &end
#
#   49 LEU  HN           59 ILE  MG2         6.00    (#   1192:21  Unique         3.71, 4.97 A)
 &rst
  ixpk= 1192, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 867, 868, 869,
 &end
#
#   47 TRP  HB+          59 ILE  MG2         6.00    (#   1195:21  Unique         5.58, 6.46 A)
 &rst
  ixpk= 1195, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 676, 677,
 igr2= 867, 868, 869,
 &end
#
#   59 ILE  HB           59 ILE  MG2         2.80    (#   1196:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1196, nxpk= 21, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 867, 868, 869,
 &end
#
#   60 ASN  HN           59 ILE  MD1         6.00    (#   1198:21  Unique         3.76, 4.49 A)
 &rst
  ixpk= 1198, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   59 ILE  HN           59 ILE  MD1         6.00    (#   1199:21  Unique         4.09, 4.70 A)
 &rst
  ixpk= 1199, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   64 ALA  HN           59 ILE  MD1         6.00    (#   1200:21  Unique         2.28, 3.41 A)
 &rst
  ixpk= 1200, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   63 GLU  HN           59 ILE  MD1         6.00    (#   1201:21  Unique         3.90, 5.11 A)
 &rst
  ixpk= 1201, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#    7 GLY  HN           59 ILE  MD1         6.00    (#   1202:21  Unique         4.44, 5.93 A)
 &rst
  ixpk= 1202, nxpk= 21, iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   47 TRP  HE3          59 ILE  MD1         6.00    (#   1203:21  Unique         4.11, 5.30 A)
 &rst
  ixpk= 1203, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   47 TRP  HB-          59 ILE  MD1         6.00    (#   1204:21  Unique         3.26, 4.38 A)
 &rst
  ixpk= 1204, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 676, 677,
 igr2= 874, 875, 876,
 &end
#
#   47 TRP  HB+          59 ILE  MD1         6.00    (#   1205:21  Unique         3.26, 4.38 A)
 &rst
  ixpk= 1205, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 676, 677,
 igr2= 874, 875, 876,
 &end
#
#   64 ALA  HA           59 ILE  MD1         4.50    (#   1207:21  Unique         2.44, 3.37 A)
 &rst
  ixpk= 1207, nxpk= 21, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 874, 875, 876,
 &end
#
#   67 THR  HB           59 ILE  MD1         6.00    (#   1208:21  Unique         4.68, 5.21 A)
 &rst
  ixpk= 1208, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#    6 PRO  HB+          59 ILE  MD1         3.50    (#   1209:21  Unique         2.24, 3.75 A)
 &rst
  ixpk= 1209, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  81,  82,
 igr2= 874, 875, 876,
 &end
#
#   59 ILE  HB           59 ILE  MD1         2.80    (#   1210:21  Unique         2.45, 3.15 A)
 &rst
  ixpk= 1210, nxpk= 21, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 874, 875, 876,
 &end
#
#   59 ILE  HG1-         59 ILE  MD1         2.80    (#   1211:21  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1211, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 871, 872,
 igr2= 874, 875, 876,
 &end
#
#    0 AMB  21-2:1212    59 ILE  MD1         3.50    (#   1212:21  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 923, 924,  81,  82,
 igr2= 874, 875, 876,
 &end
#
#   61 GLU  HN           60 ASN  HB+         3.50    (#   1213:21  Unique         2.20, 2.40 A)
 &rst
  ixpk= 1213, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 884, 885,
 &end
#
#   61 GLU  HN           60 ASN  HB-         3.50    (#   1214:21  Unique         2.20, 2.40 A)
 &rst
  ixpk= 1214, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 884, 885,
 &end
#
#   63 GLU  HN           60 ASN  HB+         6.00    (#   1215:21  Unique         3.23, 4.17 A)
 &rst
  ixpk= 1215, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 884, 885,
 &end
#
#   60 ASN  HD2-         60 ASN  HB+         6.00    (#   1216:21  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1216, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 889, 890,
 igr2= 884, 885,
 &end
#
#   60 ASN  HD2-         60 ASN  HB-         4.50    (#   1217:21  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1217, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 889, 890,
 igr2= 884, 885,
 &end
#
#   62 ALA  HN           60 ASN  HB+         6.00    (#   1218:21  Unique         2.05, 2.88 A)
 &rst
  ixpk= 1218, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 884, 885,
 &end
#
#   62 ALA  HN           60 ASN  HB-         6.00    (#   1219:21  Unique         2.05, 2.88 A)
 &rst
  ixpk= 1219, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 884, 885,
 &end
#
#   60 ASN  HD2+         60 ASN  HB+         6.00    (#   1220:21  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1220, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 889, 890,
 igr2= 884, 885,
 &end
#
#   60 ASN  HD2+         60 ASN  HB-         4.50    (#   1221:21  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1221, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 889, 890,
 igr2= 884, 885,
 &end
#
#   60 ASN  HA           60 ASN  HB+         3.50    (#   1222:21  Unique         2.24, 2.57 A)
 &rst
  ixpk= 1222, nxpk= 21, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 884, 885,
 &end
#
#   60 ASN  HA           60 ASN  HB-         2.80    (#   1223:21  Unique         2.24, 2.57 A)
 &rst
  ixpk= 1223, nxpk= 21, iat= 882,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2= 884, 885,
 &end
#
#    0 AMB  21-2:1226     0 AMB  21-1:1226   6.00    (#   1226:21  Double Ambig)
 &rst
  ixpk= 1226, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 901, 902, 898, 899,
 igr2= 884, 885, 884, 885,
 &end
#
#   61 GLU  HB-          60 ASN  HB+         6.00    (#   1227:21  Unique         4.36, 5.31 A)
 &rst
  ixpk= 1227, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 898, 899,
 igr2= 884, 885,
 &end
#
#   59 ILE  HB           60 ASN  HB-         6.00    (#   1228:21  Unique         4.84, 5.24 A)
 &rst
  ixpk= 1228, nxpk= 21, iat= 865,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 884, 885,
 &end
#
#   61 GLU  HN           61 GLU  HA          6.00    (#   1230:21  Unique         2.86, 2.87 A)
 &rst
  ixpk= 1230, nxpk= 21, iat= 894, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ALA  HN           61 GLU  HA          6.00    (#   1232:21  Unique         3.74, 3.84 A)
 &rst
  ixpk= 1232, nxpk= 21, iat= 934, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HD1          61 GLU  HA          6.00    (#   1233:21  Unique         3.35, 3.53 A)
 &rst
  ixpk= 1233, nxpk= 21, iat= 680, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1235    61 GLU  HA          2.80    (#   1235:21  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 21, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 898, 899, 901, 902,
 &end
#
#   64 ALA  MB           61 GLU  HA          4.50    (#   1237:21  Unique         2.85, 3.83 A)
 &rst
  ixpk= 1237, nxpk= 21, iat=  -1, 896, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 938, 939, 940,
 &end
#
#   47 TRP  HE1          61 GLU  HA          6.00    (#   1239:21  Unique         3.72, 3.87 A)
 &rst
  ixpk= 1239, nxpk= 21, iat= 682, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 ASN  HB-          61 GLU  HB+         4.50    (#   1241:21  Unique         4.36, 5.31 A)
 &rst
  ixpk= 1241, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 898, 899,
 &end
#
#   60 ASN  HB-          61 GLU  HB-         4.50    (#   1242:21  Unique         4.36, 5.31 A)
 &rst
  ixpk= 1242, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 898, 899,
 &end
#
#    0 AMB  21-2:1243     0 AMB  21-1:1243   6.00    (#   1243:21  Double Ambig)
 &rst
  ixpk= 1243, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 685, 680,
 igr2= 898, 899, 898, 899,
 &end
#
#    0 AMB  21-2:1244    61 GLU  HB-         6.00    (#   1244:21  Single Ambig)
 &rst
  ixpk= 1244, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 685, 680,
 igr2= 898, 899,
 &end
#
#   61 GLU  HN           61 GLU  HB+         4.50    (#   1245:21  Unique         2.77, 3.19 A)
 &rst
  ixpk= 1245, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 898, 899,
 &end
#
#    0 AMB  21-2:1246    78 GLU  HB-         4.50    (#   1246:21  Single Ambig)
 &rst
  ixpk= 1246, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1150,1207,
 igr2=1154,1155,
 &end
#
#   62 ALA  HN           61 GLU  HB-         4.50    (#   1247:21  Unique         3.15, 3.79 A)
 &rst
  ixpk= 1247, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 898, 899,
 &end
#
#   62 ALA  HN           61 GLU  HB+         4.50    (#   1248:21  Unique         3.15, 3.79 A)
 &rst
  ixpk= 1248, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 898, 899,
 &end
#
#   61 GLU  HN           61 GLU  HG+         4.50    (#   1249:21  Unique         1.93, 2.38 A)
 &rst
  ixpk= 1249, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 901, 902,
 &end
#
#   61 GLU  HN           61 GLU  HG-         6.00    (#   1250:21  Unique         1.93, 2.38 A)
 &rst
  ixpk= 1250, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   62 ALA  HN           61 GLU  HG+         6.00    (#   1251:21  Unique         3.97, 4.40 A)
 &rst
  ixpk= 1251, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   62 ALA  HN           61 GLU  HG-         6.00    (#   1252:21  Unique         3.97, 4.40 A)
 &rst
  ixpk= 1252, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   47 TRP  HD1          61 GLU  HG+         6.00    (#   1253:21  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1253, nxpk= 21, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   47 TRP  HD1          61 GLU  HG-         6.00    (#   1254:21  Unique         2.28, 3.17 A)
 &rst
  ixpk= 1254, nxpk= 21, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   60 ASN  HB+          61 GLU  HG+         6.00    (#   1255:21  Unique         3.79, 4.46 A)
 &rst
  ixpk= 1255, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 884, 885,
 igr2= 901, 902,
 &end
#
#   60 ASN  HB+          61 GLU  HG-         6.00    (#   1256:21  Unique         3.79, 4.46 A)
 &rst
  ixpk= 1256, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 884, 885,
 igr2= 901, 902,
 &end
#
#   60 ASN  HB-          61 GLU  HG-         4.50    (#   1257:21  Unique         3.79, 4.46 A)
 &rst
  ixpk= 1257, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 901, 902,
 &end
#
#   60 ASN  HB-          61 GLU  HG+         4.50    (#   1258:21  Unique         3.79, 4.46 A)
 &rst
  ixpk= 1258, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 901, 902,
 &end
#
#    0 AMB  21-2:1259    61 GLU  HG-         6.00    (#   1259:21  Single Ambig)
 &rst
  ixpk= 1259, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 951, 952, 138, 139, 138, 139,
 igr2= 901, 902,
 &end
#
#    0 AMB  21-2:1260     0 AMB  21-1:1260   6.00    (#   1260:21  Double Ambig)
 &rst
  ixpk= 1260, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 951, 952, 138, 139, 138, 139,
 igr2= 901, 902, 901, 902, 901, 902,
 &end
#
#   47 TRP  HE1          61 GLU  HG+         6.00    (#   1261:21  Unique         2.28, 3.48 A)
 &rst
  ixpk= 1261, nxpk= 21, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   47 TRP  HE1          61 GLU  HG-         6.00    (#   1262:21  Unique         2.28, 3.48 A)
 &rst
  ixpk= 1262, nxpk= 21, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 901, 902,
 &end
#
#   61 GLU  HN           62 ALA  HA          6.00    (#   1263:21  Unique         4.97, 5.02 A)
 &rst
  ixpk= 1263, nxpk= 21, iat= 894, 911, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ALA  HN           62 ALA  HA          4.50    (#   1264:21  Unique         2.86, 2.88 A)
 &rst
  ixpk= 1264, nxpk= 21, iat= 909, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLU  HN           62 ALA  HA          4.50    (#   1265:21  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1265, nxpk= 21, iat= 919, 911, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   61 GLU  HB+          62 ALA  HA          6.00    (#   1266:21  Unique         4.12, 4.58 A)
 &rst
  ixpk= 1266, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 898, 899,
 &end
#
#   65 ARG  HB+          62 ALA  HA          4.50    (#   1267:21  Unique         2.77, 3.61 A)
 &rst
  ixpk= 1267, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 948, 949,
 &end
#
#   62 ALA  MB           62 ALA  HA          2.80    (#   1268:21  Unique         2.41, 2.63 A)
 &rst
  ixpk= 1268, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 913, 914, 915,
 &end
#
#    0 AMB  21-2:1269    62 ALA  MB          6.00    (#   1269:21  Single Ambig)
 &rst
  ixpk= 1269, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 894, 880,
 igr2= 913, 914, 915,
 &end
#
#   62 ALA  HN           62 ALA  MB          2.80    (#   1270:21  Unique         2.52, 2.92 A)
 &rst
  ixpk= 1270, nxpk= 21, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 913, 914, 915,
 &end
#
#   63 GLU  HN           62 ALA  MB          3.50    (#   1271:21  Unique         2.18, 3.14 A)
 &rst
  ixpk= 1271, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 913, 914, 915,
 &end
#
#   60 ASN  HD2+         62 ALA  MB          6.00    (#   1272:21  Unique         2.67, 4.56 A)
 &rst
  ixpk= 1272, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 889, 890,
 igr2= 913, 914, 915,
 &end
#
#   62 ALA  HA           62 ALA  MB          2.80    (#   1273:21  Unique         2.41, 2.63 A)
 &rst
  ixpk= 1273, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  21-2:1274    62 ALA  MB          6.00    (#   1274:21  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 954, 955, 954, 955,
 igr2= 913, 914, 915,
 &end
#
#    0 AMB  21-2:1275     0 AMB  21-1:1275   4.50    (#   1275:21  Double Ambig)
 &rst
  ixpk= 1275, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1013, 934,1035,
 igr2= 996, 921,
 &end
#
#    0 AMB  21-2:1276     0 AMB  21-1:1276   4.50    (#   1276:21  Double Ambig)
 &rst
  ixpk= 1276, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 968,1054,
 igr2= 921, 996,
 &end
#
#   63 GLU  HN           63 GLU  HA          4.50    (#   1277:21  Unique         2.75, 2.75 A)
 &rst
  ixpk= 1277, nxpk= 21, iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HB-          63 GLU  HA          3.50    (#   1278:21  Unique         2.84, 3.21 A)
 &rst
  ixpk= 1278, nxpk= 21, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 972, 973,
 &end
#
#   63 GLU  HG-          63 GLU  HA          4.50    (#   1279:21  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1279, nxpk= 21, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 926, 927,
 &end
#
#    0 AMB  21-2:1280    63 GLU  HA          2.80    (#   1280:21  Single Ambig)
 &rst
  ixpk= 1280, nxpk= 21, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 926, 927, 923, 924,
 &end
#
#    0 AMB  21-2:1281     0 AMB  21-1:1281   2.80    (#   1281:21  Double Ambig)
 &rst
  ixpk= 1281, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1= 923, 924, 998, 999,
 igr2= 921, 996,
 &end
#
#   63 GLU  HA           63 GLU  HB+         3.50    (#   1282:21  Unique         2.54, 2.81 A)
 &rst
  ixpk= 1282, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   63 GLU  HA           63 GLU  HB-         4.50    (#   1283:21  Unique         2.54, 2.81 A)
 &rst
  ixpk= 1283, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   63 GLU  HN           63 GLU  HB+         3.50    (#   1284:21  Unique         2.21, 2.93 A)
 &rst
  ixpk= 1284, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#   63 GLU  HN           63 GLU  HB-         3.50    (#   1285:21  Unique         2.21, 2.93 A)
 &rst
  ixpk= 1285, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 923, 924,
 &end
#
#    9 ILE  MD1          46 GLN  HB-         4.50    (#   1286:21  Unique         3.18, 4.42 A)
 &rst
  ixpk= 1286, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 125, 126, 127,
 igr2= 659, 660,
 &end
#
#   59 ILE  MD1          63 GLU  HB-         4.50    (#   1287:21  Unique         2.00, 3.08 A)
 &rst
  ixpk= 1287, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 874, 875, 876,
 igr2= 923, 924,
 &end
#
#   60 ASN  HN           63 GLU  HG-         6.00    (#   1288:21  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1288, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   60 ASN  HN           63 GLU  HG+         6.00    (#   1289:21  Unique         2.86, 3.71 A)
 &rst
  ixpk= 1289, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   64 ALA  HN           63 GLU  HG+         6.00    (#   1290:21  Unique         4.44, 4.82 A)
 &rst
  ixpk= 1290, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   64 ALA  HN           63 GLU  HG-         6.00    (#   1291:21  Unique         4.44, 4.82 A)
 &rst
  ixpk= 1291, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 926, 927,
 &end
#
#   63 GLU  HN           63 GLU  HG+         4.50    (#   1292:21  Unique         2.33, 3.18 A)
 &rst
  ixpk= 1292, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 926, 927,
 &end
#
#   63 GLU  HN           63 GLU  HG-         4.50    (#   1293:21  Unique         2.33, 3.18 A)
 &rst
  ixpk= 1293, nxpk= 21, iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 926, 927,
 &end
#
#   63 GLU  HA           63 GLU  HG-         4.50    (#   1294:21  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1294, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 926, 927,
 &end
#
#   63 GLU  HA           63 GLU  HG+         4.50    (#   1295:21  Unique         2.32, 3.17 A)
 &rst
  ixpk= 1295, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 926, 927,
 &end
#
#   63 GLU  HB-          63 GLU  HG-         3.50    (#   1297:21  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1297, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   63 GLU  HB-          63 GLU  HG+         2.80    (#   1299:21  Unique         2.26, 2.59 A)
 &rst
  ixpk= 1299, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 923, 924,
 igr2= 926, 927,
 &end
#
#   62 ALA  MB           63 GLU  HG-         6.00    (#   1300:21  Unique         3.41, 5.44 A)
 &rst
  ixpk= 1300, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 926, 927,
 &end
#
#   62 ALA  MB           63 GLU  HG+         6.00    (#   1301:21  Unique         3.41, 5.44 A)
 &rst
  ixpk= 1301, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 926, 927,
 &end
#
#   59 ILE  MD1          63 GLU  HG+         4.50    (#   1302:21  Unique         3.35, 5.06 A)
 &rst
  ixpk= 1302, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 874, 875, 876,
 igr2= 926, 927,
 &end
#
#   59 ILE  MD1          63 GLU  HG-         6.00    (#   1303:21  Unique         3.35, 5.06 A)
 &rst
  ixpk= 1303, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 874, 875, 876,
 igr2= 926, 927,
 &end
#
#   68 LEU  HN           64 ALA  HA          6.00    (#   1304:21  Unique         3.86, 4.04 A)
 &rst
  ixpk= 1304, nxpk= 21, iat= 994, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ALA  HN           64 ALA  HA          4.50    (#   1305:21  Unique         2.76, 2.79 A)
 &rst
  ixpk= 1305, nxpk= 21, iat= 934, 936, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   65 ARG  HN           64 ALA  HA          6.00    (#   1306:21  Unique         3.50, 3.54 A)
 &rst
  ixpk= 1306, nxpk= 21, iat= 944, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HB           64 ALA  HA          6.00    (#   1307:21  Unique         2.78, 2.84 A)
 &rst
  ixpk= 1307, nxpk= 21, iat= 984, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HD+          64 ALA  HA          6.00    (#   1308:21  Unique         4.22, 4.57 A)
 &rst
  ixpk= 1308, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#    6 PRO  HB-          64 ALA  HA          4.50    (#   1309:21  Unique         2.70, 2.97 A)
 &rst
  ixpk= 1309, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#    6 PRO  HG+          64 ALA  HA          4.50    (#   1310:21  Unique         1.99, 2.60 A)
 &rst
  ixpk= 1310, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#    6 PRO  HG-          64 ALA  HA          4.50    (#   1311:21  Unique         1.99, 2.60 A)
 &rst
  ixpk= 1311, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#   64 ALA  MB           64 ALA  HA          2.80    (#   1312:21  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1312, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 938, 939, 940,
 &end
#
#   67 THR  MG2          64 ALA  HA          6.00    (#   1313:21  Unique         4.56, 5.21 A)
 &rst
  ixpk= 1313, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 986, 987, 988,
 &end
#
#    0 AMB  21-2:1314    64 ALA  HA          6.00    (#   1314:21  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 982, 996,
 &end
#
#   64 ALA  HN           64 ALA  MB          2.80    (#   1315:21  Unique         2.17, 2.88 A)
 &rst
  ixpk= 1315, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 938, 939, 940,
 &end
#
#   65 ARG  HN           64 ALA  MB          3.50    (#   1316:21  Unique         2.40, 3.39 A)
 &rst
  ixpk= 1316, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 938, 939, 940,
 &end
#
#   61 GLU  HN           64 ALA  MB          6.00    (#   1317:21  Unique         5.18, 6.28 A)
 &rst
  ixpk= 1317, nxpk= 21, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#    0 AMB  21-2:1318    64 ALA  MB          6.00    (#   1318:21  Single Ambig)
 &rst
  ixpk= 1318, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 680, 685,
 igr2= 938, 939, 940,
 &end
#
#   47 TRP  HE3          64 ALA  MB          4.50    (#   1319:21  Unique         2.16, 2.72 A)
 &rst
  ixpk= 1319, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 938, 939, 940,
 &end
#
#   47 TRP  HZ3          64 ALA  MB          6.00    (#   1320:21  Unique         2.63, 3.80 A)
 &rst
  ixpk= 1320, nxpk= 21, iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#    6 PRO  HA           64 ALA  MB          6.00    (#   1321:21  Unique         4.23, 5.35 A)
 &rst
  ixpk= 1321, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#   65 ARG  HA           64 ALA  MB          6.00    (#   1322:21  Unique         4.04, 4.78 A)
 &rst
  ixpk= 1322, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#   64 ALA  HA           64 ALA  MB          2.80    (#   1323:21  Unique         2.26, 2.63 A)
 &rst
  ixpk= 1323, nxpk= 21, iat= 936,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 938, 939, 940,
 &end
#
#   47 TRP  HB+          64 ALA  MB          4.50    (#   1324:21  Unique         2.64, 3.76 A)
 &rst
  ixpk= 1324, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 676, 677,
 igr2= 938, 939, 940,
 &end
#
#   47 TRP  HB-          64 ALA  MB          4.50    (#   1325:21  Unique         2.64, 3.76 A)
 &rst
  ixpk= 1325, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 676, 677,
 igr2= 938, 939, 940,
 &end
#
#   61 GLU  HA           64 ALA  MB          3.50    (#   1326:21  Unique         2.85, 3.83 A)
 &rst
  ixpk= 1326, nxpk= 21, iat= 896,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2= 938, 939, 940,
 &end
#
#    6 PRO  HB+          64 ALA  MB          3.50    (#   1327:21  Unique         2.00, 3.38 A)
 &rst
  ixpk= 1327, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  81,  82,
 igr2= 938, 939, 940,
 &end
#
#    0 AMB  21-2:1328    64 ALA  MB          4.50    (#   1328:21  Single Ambig)
 &rst
  ixpk= 1328, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 948, 949, 923, 924, 998, 999,
 igr2= 938, 939, 940,
 &end
#
#   68 LEU  HG           64 ALA  MB          6.00    (#   1329:21  Unique         3.36, 4.63 A)
 &rst
  ixpk= 1329, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#    6 PRO  HB-          64 ALA  MB          3.50    (#   1330:21  Unique         2.00, 3.38 A)
 &rst
  ixpk= 1330, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=  81,  82,
 igr2= 938, 939, 940,
 &end
#
#   68 LEU  HN           65 ARG  HA          6.00    (#   1331:21  Unique         3.17, 3.36 A)
 &rst
  ixpk= 1331, nxpk= 21, iat= 994, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1332    65 ARG  HA          6.00    (#   1332:21  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1013, 934,
 &end
#
#   65 ARG  HN           65 ARG  HA          4.50    (#   1333:21  Unique         2.77, 2.81 A)
 &rst
  ixpk= 1333, nxpk= 21, iat= 944, 946, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HA           65 ARG  HA          6.00    (#   1334:21  Unique         4.69, 4.74 A)
 &rst
  ixpk= 1334, nxpk= 21, iat= 970, 946, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1335    65 ARG  HA          6.00    (#   1335:21  Single Ambig)
 &rst
  ixpk= 1335, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 996, 982,
 &end
#
#    0 AMB  21-2:1336    65 ARG  HA          4.50    (#   1336:21  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 954, 955, 954, 955,
 &end
#
#   65 ARG  HB+          65 ARG  HA          2.80    (#   1337:21  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1337, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 948, 949,
 &end
#
#   68 LEU  HB-          65 ARG  HA          3.50    (#   1338:21  Unique         2.33, 3.23 A)
 &rst
  ixpk= 1338, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 998, 999,
 &end
#
#   68 LEU  MDX          65 ARG  HA          4.50    (#   1339:21  Unique         2.00, 4.23 A)
 &rst
  ixpk= 1339, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#   64 ALA  MB           65 ARG  HA          6.00    (#   1340:21  Unique         4.04, 4.78 A)
 &rst
  ixpk= 1340, nxpk= 21, iat=  -1, 946, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#   65 ARG  HN           65 ARG  HB+         3.50    (#   1341:21  Unique         2.25, 2.83 A)
 &rst
  ixpk= 1341, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 948, 949,
 &end
#
#   65 ARG  HN           65 ARG  HB-         3.50    (#   1342:21  Unique         2.25, 2.83 A)
 &rst
  ixpk= 1342, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 948, 949,
 &end
#
#   62 ALA  HA           65 ARG  HB+         4.50    (#   1343:21  Unique         2.77, 3.61 A)
 &rst
  ixpk= 1343, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 948, 949,
 &end
#
#   62 ALA  HA           65 ARG  HB-         4.50    (#   1344:21  Unique         2.77, 3.61 A)
 &rst
  ixpk= 1344, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 948, 949,
 &end
#
#   65 ARG  HA           65 ARG  HB-         4.50    (#   1345:21  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1345, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 948, 949,
 &end
#
#   65 ARG  HA           65 ARG  HB+         4.50    (#   1346:21  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1346, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 948, 949,
 &end
#
#    0 AMB  21-2:1347    65 ARG  HB-         6.00    (#   1347:21  Single Ambig)
 &rst
  ixpk= 1347, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 954, 955, 954, 955,
 igr2= 948, 949,
 &end
#
#    0 AMB  21-2:1348     0 AMB  21-1:1348   4.50    (#   1348:21  Double Ambig)
 &rst
  ixpk= 1348, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 954, 955, 954, 955,
 igr2= 948, 949, 948, 949,
 &end
#
#   66 ASP  HN           66 ASP  HA          3.50    (#   1349:21  Unique         2.82, 2.85 A)
 &rst
  ixpk= 1349, nxpk= 21, iat= 968, 970, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ALA  HN           66 ASP  HA          6.00    (#   1350:21  Unique         4.33, 4.73 A)
 &rst
  ixpk= 1350, nxpk= 21, iat=1025, 970, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ASP  HB-          66 ASP  HA          2.80    (#   1351:21  Unique         2.63, 2.82 A)
 &rst
  ixpk= 1351, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 972, 973,
 &end
#
#    0 AMB  21-2:1352    66 ASP  HA          6.00    (#   1352:21  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 948, 949, 998, 999,
 &end
#
#   70 ALA  MB           66 ASP  HA          6.00    (#   1353:21  Unique         4.70, 6.04 A)
 &rst
  ixpk= 1353, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1029,1030,1031,
 &end
#
#   69 ASP  HN           69 ASP  HB+         3.50    (#   1354:21  Unique         2.22, 2.61 A)
 &rst
  ixpk= 1354, nxpk= 21, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1017,1018,
 &end
#
#   69 ASP  HN           69 ASP  HB-         2.80    (#   1355:21  Unique         2.22, 2.61 A)
 &rst
  ixpk= 1355, nxpk= 21, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1017,1018,
 &end
#
#   66 ASP  HN           66 ASP  HB-         3.50    (#   1356:21  Unique         2.17, 2.58 A)
 &rst
  ixpk= 1356, nxpk= 21, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 972, 973,
 &end
#
#   66 ASP  HN           66 ASP  HB+         3.50    (#   1357:21  Unique         2.17, 2.58 A)
 &rst
  ixpk= 1357, nxpk= 21, iat= 968,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 972, 973,
 &end
#
#   70 ALA  HN           69 ASP  HB+         4.50    (#   1358:21  Unique         2.60, 3.30 A)
 &rst
  ixpk= 1358, nxpk= 21, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1017,1018,
 &end
#
#   70 ALA  HN           69 ASP  HB-         4.50    (#   1359:21  Unique         2.60, 3.30 A)
 &rst
  ixpk= 1359, nxpk= 21, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1017,1018,
 &end
#
#   69 ASP  HA           69 ASP  HB+         2.80    (#   1360:21  Unique         2.61, 2.82 A)
 &rst
  ixpk= 1360, nxpk= 21, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1017,1018,
 &end
#
#    0 AMB  21-2:1361     0 AMB  21-1:1361   2.80    (#   1361:21  Double Ambig)
 &rst
  ixpk= 1361, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1015, 970,
 igr2=1017,1018, 972, 973,
 &end
#
#   63 GLU  HA           66 ASP  HB+         4.50    (#   1362:21  Unique         2.84, 3.21 A)
 &rst
  ixpk= 1362, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 972, 973,
 &end
#
#   63 GLU  HA           66 ASP  HB-         4.50    (#   1363:21  Unique         2.84, 3.21 A)
 &rst
  ixpk= 1363, nxpk= 21, iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 972, 973,
 &end
#
#   70 ALA  MB            0 AMB  21-1:1364   6.00    (#   1364:21  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1029,1030,1031,
 igr2=1017,1018, 972, 973,
 &end
#
#    0 AMB  21-2:1365     0 AMB  21-1:1365   6.00    (#   1365:21  Double Ambig)
 &rst
  ixpk= 1365, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.89, r4=10.39,
 igr1= 998, 999,1029,1030,1031,
 igr2=1017,1018,1017,1018,
 &end
#
#    0 AMB  21-2:1366     0 AMB  21-1:1366   6.00    (#   1366:21  Double Ambig)
 &rst
  ixpk= 1366, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 948, 949, 998, 999, 923, 924,
 igr2= 972, 973,1017,1018, 972, 973,
 &end
#
#   68 LEU  HB+          69 ASP  HB+         6.00    (#   1367:21  Unique         4.08, 4.96 A)
 &rst
  ixpk= 1367, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 998, 999,
 igr2=1017,1018,
 &end
#
#   68 LEU  HN           67 THR  HA          6.00    (#   1368:21  Unique         3.44, 3.49 A)
 &rst
  ixpk= 1368, nxpk= 21, iat= 994, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HN           67 THR  HA          4.50    (#   1369:21  Unique         2.86, 2.90 A)
 &rst
  ixpk= 1369, nxpk= 21, iat= 980, 982, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1370    67 THR  HA          6.00    (#   1370:21  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 21, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 968,1054,
 &end
#
#   70 ALA  HN           67 THR  HA          6.00    (#   1371:21  Unique         2.91, 3.04 A)
 &rst
  ixpk= 1371, nxpk= 21, iat=1025, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HB           67 THR  HA          3.50    (#   1373:21  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1373, nxpk= 21, iat= 984, 982, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HA           67 THR  HA          6.00    (#   1374:21  Unique         5.49, 5.50 A)
 &rst
  ixpk= 1374, nxpk= 21, iat= 936, 982, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ASP  HB-          67 THR  HA          6.00    (#   1375:21  Unique         4.02, 4.81 A)
 &rst
  ixpk= 1375, nxpk= 21, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 972, 973,
 &end
#
#    0 AMB  21-2:1376    67 THR  HA          6.00    (#   1376:21  Single Ambig)
 &rst
  ixpk= 1376, nxpk= 21, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 998, 999, 923, 924,
 &end
#
#   70 ALA  MB           67 THR  HA          3.50    (#   1377:21  Unique         2.00, 2.98 A)
 &rst
  ixpk= 1377, nxpk= 21, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1029,1030,1031,
 &end
#
#   67 THR  MG2          67 THR  HA          3.50    (#   1378:21  Unique         2.37, 3.12 A)
 &rst
  ixpk= 1378, nxpk= 21, iat=  -1, 982, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 986, 987, 988,
 &end
#
#   68 LEU  HN           67 THR  HB          4.50    (#   1379:21  Unique         2.72, 2.88 A)
 &rst
  ixpk= 1379, nxpk= 21, iat= 994, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 THR  HN           67 THR  HB          3.50    (#   1380:21  Unique         2.48, 2.51 A)
 &rst
  ixpk= 1380, nxpk= 21, iat= 980, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 THR  HA           67 THR  HB          3.50    (#   1382:21  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1382, nxpk= 21, iat= 982, 984, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   64 ALA  HA           67 THR  HB          4.50    (#   1383:21  Unique         2.78, 2.84 A)
 &rst
  ixpk= 1383, nxpk= 21, iat= 936, 984, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 PRO  HG+          67 THR  HB          4.50    (#   1384:21  Unique         1.98, 2.76 A)
 &rst
  ixpk= 1384, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#    6 PRO  HG-          67 THR  HB          4.50    (#   1385:21  Unique         1.98, 2.76 A)
 &rst
  ixpk= 1385, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  78,  79,
 &end
#
#    0 AMB  21-2:1386    67 THR  HB          6.00    (#   1386:21  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1029,1030,1031,1039,1040,
 &end
#
#   67 THR  MG2          67 THR  HB          2.80    (#   1387:21  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1387, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 986, 987, 988,
 &end
#
#    0 AMB  21-2:1388    67 THR  HB          6.00    (#   1388:21  Single Ambig)
 &rst
  ixpk= 1388, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 8.30, r4= 8.80,
 igr1=1003,1004,1005,1007,1008,1009,1042,
 &end
#
#   68 LEU  HN           67 THR  MG2         6.00    (#   1389:21  Unique         3.85, 4.56 A)
 &rst
  ixpk= 1389, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 986, 987, 988,
 &end
#
#   67 THR  HN           67 THR  MG2         6.00    (#   1390:21  Unique         4.40, 4.56 A)
 &rst
  ixpk= 1390, nxpk= 21, iat= 980,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 986, 987, 988,
 &end
#
#    5 VAL  HA           67 THR  MG2         6.00    (#   1391:21  Unique         3.09, 4.43 A)
 &rst
  ixpk= 1391, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 986, 987, 988,
 &end
#
#    6 PRO  HD+          67 THR  MG2         4.50    (#   1392:21  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1392, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  75,  76,
 igr2= 986, 987, 988,
 &end
#
#   67 THR  HB           67 THR  MG2         2.80    (#   1393:21  Unique         2.23, 2.64 A)
 &rst
  ixpk= 1393, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 986, 987, 988,
 &end
#
#   67 THR  HA           67 THR  MG2         2.80    (#   1394:21  Unique         2.37, 3.12 A)
 &rst
  ixpk= 1394, nxpk= 21, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2= 986, 987, 988,
 &end
#
#    6 PRO  HD-          67 THR  MG2         4.50    (#   1395:21  Unique         1.99, 3.59 A)
 &rst
  ixpk= 1395, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  75,  76,
 igr2= 986, 987, 988,
 &end
#
#    6 PRO  HG+          67 THR  MG2         4.50    (#   1396:21  Unique         2.39, 4.42 A)
 &rst
  ixpk= 1396, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,
 igr2= 986, 987, 988,
 &end
#
#    6 PRO  HB-          67 THR  MG2         6.00    (#   1397:21  Unique         3.92, 5.67 A)
 &rst
  ixpk= 1397, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  81,  82,
 igr2= 986, 987, 988,
 &end
#
#    6 PRO  HG-          67 THR  MG2         4.50    (#   1398:21  Unique         2.39, 4.42 A)
 &rst
  ixpk= 1398, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  78,  79,
 igr2= 986, 987, 988,
 &end
#
#   68 LEU  HN           68 LEU  HA          4.50    (#   1399:21  Unique         2.75, 2.77 A)
 &rst
  ixpk= 1399, nxpk= 21, iat= 994, 996, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   68 LEU  HB-          68 LEU  HA          2.80    (#   1400:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 1400, nxpk= 21, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 998, 999,
 &end
#
#   67 THR  MG2          68 LEU  HA          6.00    (#   1401:21  Unique         3.70, 4.75 A)
 &rst
  ixpk= 1401, nxpk= 21, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 986, 987, 988,
 &end
#
#    0 AMB  21-2:1402    68 LEU  HA          2.80    (#   1402:21  Single Ambig)
 &rst
  ixpk= 1402, nxpk= 21, iat=  -1, 996, r1= 1.30, r2= 1.80, r3= 3.87, r4= 4.37,
 igr1=1003,1004,1005,1007,1008,1009,1042,
 &end
#
#   68 LEU  HN           68 LEU  HB+         4.50    (#   1403:21  Unique         2.14, 2.85 A)
 &rst
  ixpk= 1403, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 998, 999,
 &end
#
#   68 LEU  HN           68 LEU  HB-         4.50    (#   1404:21  Unique         2.14, 2.85 A)
 &rst
  ixpk= 1404, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 998, 999,
 &end
#
#   69 ASP  HN           68 LEU  HB-         6.00    (#   1405:21  Unique         2.67, 3.09 A)
 &rst
  ixpk= 1405, nxpk= 21, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 998, 999,
 &end
#
#   69 ASP  HN           68 LEU  HB+         6.00    (#   1406:21  Unique         2.67, 3.09 A)
 &rst
  ixpk= 1406, nxpk= 21, iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 998, 999,
 &end
#
#   68 LEU  HA           68 LEU  HB-         4.50    (#   1407:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 1407, nxpk= 21, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 998, 999,
 &end
#
#   68 LEU  HA           68 LEU  HB+         4.50    (#   1408:21  Unique         2.58, 2.81 A)
 &rst
  ixpk= 1408, nxpk= 21, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 998, 999,
 &end
#
#   65 ARG  HA           68 LEU  HB+         4.50    (#   1409:21  Unique         2.33, 3.23 A)
 &rst
  ixpk= 1409, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 998, 999,
 &end
#
#   65 ARG  HA           68 LEU  HB-         6.00    (#   1410:21  Unique         2.33, 3.23 A)
 &rst
  ixpk= 1410, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 998, 999,
 &end
#
#   68 LEU  MDX          68 LEU  HB+         2.80    (#   1413:21  Unique         2.00, 3.25 A)
 &rst
  ixpk= 1413, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1003,1004,1005,1007,1008,1009,
 igr2= 998, 999,
 &end
#
#   68 LEU  MDY          68 LEU  HB-         2.80    (#   1414:21  Unique         2.00, 3.25 A)
 &rst
  ixpk= 1414, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1=1003,1004,1005,1007,1008,1009,
 igr2= 998, 999,
 &end
#
#   68 LEU  HN           68 LEU  HG          4.50    (#   1415:21  Unique         2.58, 2.91 A)
 &rst
  ixpk= 1415, nxpk= 21, iat= 994,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 ASP  HN           68 LEU  HG          6.00    (#   1416:21  Unique         4.70, 4.82 A)
 &rst
  ixpk= 1416, nxpk= 21, iat=1013,1001, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 LEU  HA           68 LEU  HG          4.50    (#   1417:21  Unique         2.17, 2.62 A)
 &rst
  ixpk= 1417, nxpk= 21, iat= 996,1001, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 PRO  HG+          68 LEU  HG          6.00    (#   1418:21  Unique         2.08, 3.03 A)
 &rst
  ixpk= 1418, nxpk= 21, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 &end
#
#   68 LEU  MDY          68 LEU  HG          2.80    (#   1419:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1419, nxpk= 21, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#   47 TRP  HH2          68 LEU  MDX         6.00    (#   1420:21  Unique         3.31, 5.24 A)
 &rst
  ixpk= 1420, nxpk= 21, iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  21-2:1421    68 LEU  MDX         6.00    (#   1421:21  Single Ambig)
 &rst
  ixpk= 1421, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 689,1066,1067,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   68 LEU  HA           68 LEU  MDX         6.00    (#   1422:21  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1422, nxpk= 21, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  21-2:1423     0 AMB  21-1:1423   3.50    (#   1423:21  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 998, 999,  78,  79,1324,1325,
 igr2=1003,1004,1005,1007,1008,1009,1233,1234,1235,1237,
      1238,1239,
 &end
#
#   68 LEU  HN           68 LEU  MDY         6.00    (#   1424:21  Unique         3.19, 4.63 A)
 &rst
  ixpk= 1424, nxpk= 21, iat= 994,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  21-2:1425    68 LEU  MDY         6.00    (#   1425:21  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 689,1066,1067,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    5 VAL  HA           68 LEU  MDY         6.00    (#   1426:21  Unique         4.04, 6.51 A)
 &rst
  ixpk= 1426, nxpk= 21, iat=  60,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    6 PRO  HD+          68 LEU  MDY         4.50    (#   1427:21  Unique         2.46, 5.67 A)
 &rst
  ixpk= 1427, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  75,  76,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    6 PRO  HD-          68 LEU  MDY         4.50    (#   1428:21  Unique         2.46, 5.67 A)
 &rst
  ixpk= 1428, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  75,  76,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    6 PRO  HG+          68 LEU  MDY         6.00    (#   1429:21  Unique         2.06, 4.95 A)
 &rst
  ixpk= 1429, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  78,  79,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    6 PRO  HB-          68 LEU  MDY         4.50    (#   1430:21  Unique         3.87, 6.61 A)
 &rst
  ixpk= 1430, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  81,  82,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   68 LEU  HB+          68 LEU  MDY         3.50    (#   1431:21  Unique         2.00, 3.25 A)
 &rst
  ixpk= 1431, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 998, 999,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   68 LEU  HG           68 LEU  MDY         2.80    (#   1432:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1432, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   68 LEU  HA           68 LEU  MDY         2.80    (#   1433:21  Unique         2.00, 3.85 A)
 &rst
  ixpk= 1433, nxpk= 21, iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   69 ASP  HN           69 ASP  HA          4.50    (#   1434:21  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1434, nxpk= 21, iat=1013,1015, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1435    69 ASP  HA          6.00    (#   1435:21  Single Ambig)
 &rst
  ixpk= 1435, nxpk= 21, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=1025,1080,1081,
 &end
#
#   69 ASP  HB-          69 ASP  HA          2.80    (#   1436:21  Unique         2.61, 2.82 A)
 &rst
  ixpk= 1436, nxpk= 21, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1017,1018,
 &end
#
#   70 ALA  HN           70 ALA  HA          4.50    (#   1437:21  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1437, nxpk= 21, iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 ASN  HB-          70 ALA  HA          6.00    (#   1438:21  Unique         3.52, 4.62 A)
 &rst
  ixpk= 1438, nxpk= 21, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   70 ALA  MB           70 ALA  HA          2.80    (#   1439:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1439, nxpk= 21, iat=  -1,1027, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1029,1030,1031,
 &end
#
#   71 LEU  HN           70 ALA  MB          4.50    (#   1441:21  Unique         2.45, 3.40 A)
 &rst
  ixpk= 1441, nxpk= 21, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1029,1030,1031,
 &end
#
#   72 GLN  HN           70 ALA  MB          6.00    (#   1442:21  Unique         4.67, 5.29 A)
 &rst
  ixpk= 1442, nxpk= 21, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1029,1030,1031,
 &end
#
#   70 ALA  HN           70 ALA  MB          2.80    (#   1443:21  Unique         2.06, 2.89 A)
 &rst
  ixpk= 1443, nxpk= 21, iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1029,1030,1031,
 &end
#
#   69 ASP  HA           70 ALA  MB          6.00    (#   1444:21  Unique         5.50, 6.07 A)
 &rst
  ixpk= 1444, nxpk= 21, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1029,1030,1031,
 &end
#
#   70 ALA  HA           70 ALA  MB          2.80    (#   1445:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1445, nxpk= 21, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr2=1029,1030,1031,
 &end
#
#   67 THR  HA           70 ALA  MB          3.50    (#   1446:21  Unique         2.00, 2.98 A)
 &rst
  ixpk= 1446, nxpk= 21, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1029,1030,1031,
 &end
#
#    0 AMB  21-2:1447    70 ALA  MB          6.00    (#   1447:21  Single Ambig)
 &rst
  ixpk= 1447, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1017,1018,1075,1076,
 igr2=1029,1030,1031,
 &end
#
#   71 LEU  HN           71 LEU  HA          6.00    (#   1448:21  Unique         2.76, 2.86 A)
 &rst
  ixpk= 1448, nxpk= 21, iat=1035,1037, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1449    71 LEU  HA          4.50    (#   1449:21  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 21, iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#   71 LEU  HN           71 LEU  HB+         4.50    (#   1450:21  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1450, nxpk= 21, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1039,1040,
 &end
#
#   60 ASN  HN           63 GLU  HB+         4.50    (#   1451:21  Unique         2.39, 3.45 A)
 &rst
  ixpk= 1451, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 923, 924,
 &end
#
#   71 LEU  HN           71 LEU  HB-         6.00    (#   1452:21  Unique         2.42, 3.12 A)
 &rst
  ixpk= 1452, nxpk= 21, iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1039,1040,
 &end
#
#   71 LEU  HA           71 LEU  HB+         4.50    (#   1453:21  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1453, nxpk= 21, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1039,1040,
 &end
#
#    0 AMB  21-2:1454     0 AMB  21-1:1454   4.50    (#   1454:21  Double Ambig)
 &rst
  ixpk= 1454, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 996,  53,  54,  53,  54, 982,
 igr2=1039,1040,1039,1040,1039,1040,1039,1040,
 &end
#
#   71 LEU  HA           71 LEU  HB-         4.50    (#   1455:21  Unique         2.37, 2.43 A)
 &rst
  ixpk= 1455, nxpk= 21, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1039,1040,
 &end
#
#   71 LEU  HG           71 LEU  HB+         2.80    (#   1458:21  Unique         2.59, 2.81 A)
 &rst
  ixpk= 1458, nxpk= 21, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1039,1040,
 &end
#
#   72 GLN  HN           71 LEU  HG          6.00    (#   1459:21  Unique         2.28, 2.43 A)
 &rst
  ixpk= 1459, nxpk= 21, iat=1054,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 VAL  HA           71 LEU  HG          6.00    (#   1460:21  Unique         4.69, 4.92 A)
 &rst
  ixpk= 1460, nxpk= 21, iat=  60,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1461    71 LEU  HG          6.00    (#   1461:21  Single Ambig)
 &rst
  ixpk= 1461, nxpk= 21, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1037,1027,
 &end
#
#    6 PRO  HD+          71 LEU  HG          6.00    (#   1462:21  Unique         4.29, 5.06 A)
 &rst
  ixpk= 1462, nxpk= 21, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   68 LEU  HA           71 LEU  HG          6.00    (#   1463:21  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1463, nxpk= 21, iat= 996,1042, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HD-          71 LEU  HG          6.00    (#   1464:21  Unique         4.29, 5.06 A)
 &rst
  ixpk= 1464, nxpk= 21, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   71 LEU  HB+          71 LEU  HG          3.50    (#   1465:21  Unique         2.59, 2.81 A)
 &rst
  ixpk= 1465, nxpk= 21, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1039,1040,
 &end
#
#   72 GLN  HN            0 AMB  21-1:1466   6.00    (#   1466:21  Single Ambig)
 &rst
  ixpk= 1466, nxpk= 21, iat=1054,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#    0 AMB  21-2:1467     0 AMB  21-1:1467   3.50    (#   1467:21  Double Ambig)
 &rst
  ixpk= 1467, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.94, r4= 6.44,
 igr1= 984,1037,
 igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#    0 AMB  21-2:1468     0 AMB  21-1:1468   2.80    (#   1468:21  Double Ambig)
 &rst
  ixpk= 1468, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.34, r4= 5.84,
 igr1=1039,1040,1039,1040,
 igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#   71 LEU  HB-           0 AMB  21-1:1469   4.50    (#   1469:21  Single Ambig)
 &rst
  ixpk= 1469, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.64, r4= 8.14,
 igr1=1039,1040,
 igr2=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#   72 GLN  HG+          72 GLN  HA          3.50    (#   1470:21  Unique         2.10, 2.86 A)
 &rst
  ixpk= 1470, nxpk= 21, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1061,1062,
 &end
#
#    0 AMB  21-2:1471    72 GLN  HA          2.80    (#   1471:21  Single Ambig)
 &rst
  ixpk= 1471, nxpk= 21, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1058,1059,1058,1059,
 &end
#
#   46 GLN  HE2+         43 ARG  HA          6.00    (#   1472:21  Unique         1.99, 3.39 A)
 &rst
  ixpk= 1472, nxpk= 21, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 667, 668,
 &end
#
#   43 ARG  HN           43 ARG  HA          2.80    (#   1473:21  Unique         2.87, 2.89 A)
 &rst
  ixpk= 1473, nxpk= 21, iat= 608, 610, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   69 ASP  HA            0 AMB  21-1:1475   4.50    (#   1475:21  Single Ambig)
 &rst
  ixpk= 1475, nxpk= 21, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1058,1059,1058,1059,
 &end
#
#   72 GLN  HA            0 AMB  21-1:1476   2.80    (#   1476:21  Single Ambig)
 &rst
  ixpk= 1476, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr2=1058,1059,1058,1059,
 &end
#
#    0 AMB  21-2:1477     0 AMB  21-1:1477   2.80    (#   1477:21  Double Ambig)
 &rst
  ixpk= 1477, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1061,1062,1061,1062,
 igr2=1058,1059,1058,1059,
 &end
#
#    0 AMB  21-2:1478     0 AMB  21-1:1478   4.50    (#   1478:21  Double Ambig)
 &rst
  ixpk= 1478, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1058,1059,1058,1059,1058,1059,
 &end
#
#   72 GLN  HE2+         72 GLN  HG-         6.00    (#   1481:21  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1481, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1066,1067,
 igr2=1061,1062,
 &end
#
#   72 GLN  HE2+         72 GLN  HG+         6.00    (#   1482:21  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1482, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1066,1067,
 igr2=1061,1062,
 &end
#
#   72 GLN  HE2-         72 GLN  HG-         6.00    (#   1483:21  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1483, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1066,1067,
 igr2=1061,1062,
 &end
#
#   72 GLN  HE2-         72 GLN  HG+         6.00    (#   1484:21  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1484, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1066,1067,
 igr2=1061,1062,
 &end
#
#   69 ASP  HA           72 GLN  HG-         6.00    (#   1485:21  Unique         2.61, 3.71 A)
 &rst
  ixpk= 1485, nxpk= 21, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1061,1062,
 &end
#
#   69 ASP  HA           72 GLN  HG+         6.00    (#   1486:21  Unique         2.61, 3.71 A)
 &rst
  ixpk= 1486, nxpk= 21, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1061,1062,
 &end
#
#   72 GLN  HA           72 GLN  HG-         4.50    (#   1487:21  Unique         2.10, 2.86 A)
 &rst
  ixpk= 1487, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#   72 GLN  HA           72 GLN  HG+         4.50    (#   1488:21  Unique         2.10, 2.86 A)
 &rst
  ixpk= 1488, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1061,1062,
 &end
#
#    0 AMB  21-2:1489    72 GLN  HG-         2.80    (#   1489:21  Single Ambig)
 &rst
  ixpk= 1489, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1058,1059,1058,1059,
 igr2=1061,1062,
 &end
#
#    0 AMB  21-2:1490     0 AMB  21-1:1490   2.80    (#   1490:21  Double Ambig)
 &rst
  ixpk= 1490, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1058,1059,1058,1059,
 igr2=1061,1062,1061,1062,
 &end
#
#    0 AMB  21-2:1491    72 GLN  HG-         6.00    (#   1491:21  Single Ambig)
 &rst
  ixpk= 1491, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1061,1062,
 &end
#
#   76 ASP  HN           76 ASP  HA          4.50    (#   1492:21  Unique         2.76, 2.81 A)
 &rst
  ixpk= 1492, nxpk= 21, iat=1122,1124, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 ASN  HN           73 ASN  HA          3.50    (#   1493:21  Unique         2.78, 2.86 A)
 &rst
  ixpk= 1493, nxpk= 21, iat=1071,1073, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  21-2:1494     0 AMB  21-1:1494   2.80    (#   1494:21  Double Ambig)
 &rst
  ixpk= 1494, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1126,1127,1075,1076,
 igr2=1124,1073,
 &end
#
#    0 AMB  21-2:1495    76 ASP  HA          6.00    (#   1495:21  Single Ambig)
 &rst
  ixpk= 1495, nxpk= 21, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   39 ASN  HD2-         39 ASN  HB-         3.50    (#   1496:21  Unique         2.19, 3.38 A)
 &rst
  ixpk= 1496, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 565, 566,
 igr2= 560, 561,
 &end
#
#   73 ASN  HN           73 ASN  HB-         4.50    (#   1497:21  Unique         2.14, 2.90 A)
 &rst
  ixpk= 1497, nxpk= 21, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1075,1076,
 &end
#
#   73 ASN  HD2+         73 ASN  HB-         4.50    (#   1498:21  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1498, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1080,1081,
 igr2=1075,1076,
 &end
#
#   73 ASN  HD2+         73 ASN  HB+         4.50    (#   1499:21  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1499, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1080,1081,
 igr2=1075,1076,
 &end
#
#   73 ASN  HD2-         73 ASN  HB-         6.00    (#   1500:21  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1500, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1080,1081,
 igr2=1075,1076,
 &end
#
#    0 AMB  21-2:1501     0 AMB  21-1:1501   4.50    (#   1501:21  Double Ambig)
 &rst
  ixpk= 1501, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 589, 590,1080,1081,
 igr2= 560, 561,1075,1076,
 &end
#
#   73 ASN  HA           73 ASN  HB-         4.50    (#   1502:21  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1502, nxpk= 21, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1075,1076,
 &end
#
#   73 ASN  HA           73 ASN  HB+         4.50    (#   1503:21  Unique         2.47, 2.81 A)
 &rst
  ixpk= 1503, nxpk= 21, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1075,1076,
 &end
#
#    0 AMB  21-2:1504     0 AMB  21-1:1504   6.00    (#   1504:21  Double Ambig)
 &rst
  ixpk= 1504, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1027, 572, 573,
 igr2=1075,1076, 560, 561,
 &end
#
#   70 ALA  HA           73 ASN  HB-         6.00    (#   1505:21  Unique         3.52, 4.62 A)
 &rst
  ixpk= 1505, nxpk= 21, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1075,1076,
 &end
#
#   89 GLU  HN            0 AMB  21-1:1506   4.50    (#   1506:21  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 21, iat=1305,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1292,1307,
 &end
#
#   88 GLU  HN           88 GLU  HA          4.50    (#   1507:21  Unique         2.28, 2.82 A)
 &rst
  ixpk= 1507, nxpk= 21, iat=1290,1292, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1508     0 AMB  21-1:1508   6.00    (#   1508:21  Double Ambig)
 &rst
  ixpk= 1508, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1312,1313,1312,1313,1297,1298,1297,1298,
 igr2=1307,1292,
 &end
#
#   88 GLU  HB+          88 GLU  HA          3.50    (#   1509:21  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1509, nxpk= 21, iat=  -1,1292, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1294,1295,
 &end
#
#   71 LEU  HA            0 AMB  21-1:1510   6.00    (#   1510:21  Single Ambig)
 &rst
  ixpk= 1510, nxpk= 21, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1089,1090,1089,1090,
 &end
#
#   74 MET  HA            0 AMB  21-1:1511   4.50    (#   1511:21  Single Ambig)
 &rst
  ixpk= 1511, nxpk= 21, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1089,1090,1089,1090,
 &end
#
#   75 PHE  HA            0 AMB  21-1:1512   6.00    (#   1512:21  Single Ambig)
 &rst
  ixpk= 1512, nxpk= 21, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1089,1090,1089,1090,
 &end
#
#   74 MET  HN            0 AMB  21-1:1513   4.50    (#   1513:21  Single Ambig)
 &rst
  ixpk= 1513, nxpk= 21, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1089,1090,1089,1090,
 &end
#
#   75 PHE  HN            0 AMB  21-1:1514   6.00    (#   1514:21  Single Ambig)
 &rst
  ixpk= 1514, nxpk= 21, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1089,1090,1089,1090,
 &end
#
#   74 MET  HN           74 MET  HG-         6.00    (#   1516:21  Unique         2.47, 4.12 A)
 &rst
  ixpk= 1516, nxpk= 21, iat=1085,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1092,1093,
 &end
#
#   74 MET  HA           74 MET  HG+         6.00    (#   1517:21  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1517, nxpk= 21, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1092,1093,
 &end
#
#   74 MET  HA           74 MET  HG-         6.00    (#   1518:21  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1518, nxpk= 21, iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1092,1093,
 &end
#
#   71 LEU  HA           74 MET  HG-         6.00    (#   1519:21  Unique         2.59, 4.80 A)
 &rst
  ixpk= 1519, nxpk= 21, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1092,1093,
 &end
#
#   71 LEU  HA           74 MET  HG+         6.00    (#   1520:21  Unique         2.59, 4.80 A)
 &rst
  ixpk= 1520, nxpk= 21, iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1092,1093,
 &end
#
#    0 AMB  21-2:1521    74 MET  HG-         3.50    (#   1521:21  Single Ambig)
 &rst
  ixpk= 1521, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1=1089,1090,1089,1090,
 igr2=1092,1093,
 &end
#
#    0 AMB  21-2:1522     0 AMB  21-1:1522   2.80    (#   1522:21  Double Ambig)
 &rst
  ixpk= 1522, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1089,1090,1089,1090,
 igr2=1092,1093,1092,1093,
 &end
#
#    0 AMB  21-2:1523     0 AMB  21-1:1523   6.00    (#   1523:21  Double Ambig)
 &rst
  ixpk= 1523, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 igr2=1092,1093,1092,1093,
 &end
#
#    0 AMB  21-2:1524    74 MET  HG-         6.00    (#   1524:21  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 igr2=1092,1093,
 &end
#
#   75 PHE  HD           75 PHE  HB+         4.50    (#   1525:21  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1525, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1110,1118,
 igr2=1106,1107,
 &end
#
#   75 PHE  HD           75 PHE  HB-         4.50    (#   1526:21  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1526, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1110,1118,
 igr2=1106,1107,
 &end
#
#   75 PHE  HN           75 PHE  HB+         6.00    (#   1527:21  Unique         2.13, 2.66 A)
 &rst
  ixpk= 1527, nxpk= 21, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1106,1107,
 &end
#
#   76 ASP  HN           75 PHE  HB+         6.00    (#   1528:21  Unique         2.33, 3.43 A)
 &rst
  ixpk= 1528, nxpk= 21, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1106,1107,
 &end
#
#   75 PHE  HN           75 PHE  HB-         4.50    (#   1529:21  Unique         2.13, 2.66 A)
 &rst
  ixpk= 1529, nxpk= 21, iat=1102,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1106,1107,
 &end
#
#   75 PHE  HA           75 PHE  HB+         4.50    (#   1530:21  Unique         2.36, 2.74 A)
 &rst
  ixpk= 1530, nxpk= 21, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1106,1107,
 &end
#
#    0 AMB  21-2:1531    75 PHE  HB-         6.00    (#   1531:21  Single Ambig)
 &rst
  ixpk= 1531, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1106,1107,
 &end
#
#    0 AMB  21-2:1532     0 AMB  21-1:1532   6.00    (#   1532:21  Double Ambig)
 &rst
  ixpk= 1532, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1106,1107,1106,1107,
 &end
#
#    0 AMB  21-2:1535    76 ASP  HB-         6.00    (#   1535:21  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 igr2=1126,1127,
 &end
#
#    0 AMB  21-2:1536     0 AMB  21-1:1536   6.00    (#   1536:21  Double Ambig)
 &rst
  ixpk= 1536, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 igr2=1126,1127,1126,1127,
 &end
#
#   76 ASP  HA           76 ASP  HB-         2.80    (#   1537:21  Unique         2.33, 2.72 A)
 &rst
  ixpk= 1537, nxpk= 21, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr2=1126,1127,
 &end
#
#   76 ASP  HA           76 ASP  HB+         3.50    (#   1538:21  Unique         2.33, 2.72 A)
 &rst
  ixpk= 1538, nxpk= 21, iat=1124,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1126,1127,
 &end
#
#   73 ASN  HN           76 ASP  HB+         6.00    (#   1539:21  Unique         4.87, 7.04 A)
 &rst
  ixpk= 1539, nxpk= 21, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1126,1127,
 &end
#
#   73 ASN  HN           76 ASP  HB-         6.00    (#   1540:21  Unique         4.87, 7.04 A)
 &rst
  ixpk= 1540, nxpk= 21, iat=1071,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1126,1127,
 &end
#
#   76 ASP  HN           76 ASP  HB-         4.50    (#   1541:21  Unique         2.16, 2.83 A)
 &rst
  ixpk= 1541, nxpk= 21, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1126,1127,
 &end
#
#   76 ASP  HN           76 ASP  HB+         4.50    (#   1542:21  Unique         2.16, 2.83 A)
 &rst
  ixpk= 1542, nxpk= 21, iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1126,1127,
 &end
#
#   78 GLU  HN           77 VAL  HA          3.50    (#   1545:21  Unique         2.14, 2.88 A)
 &rst
  ixpk= 1545, nxpk= 21, iat=1150,1136, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   77 VAL  HN           77 VAL  HA          6.00    (#   1546:21  Unique         2.77, 2.89 A)
 &rst
  ixpk= 1546, nxpk= 21, iat=1134,1136, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   78 GLU  HB-          77 VAL  HA          6.00    (#   1547:21  Unique         4.19, 5.34 A)
 &rst
  ixpk= 1547, nxpk= 21, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1154,1155,
 &end
#
#   77 VAL  HB           77 VAL  HA          4.50    (#   1548:21  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1548, nxpk= 21, iat=1138,1136, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1549    77 VAL  HA          4.50    (#   1549:21  Single Ambig)
 &rst
  ixpk= 1549, nxpk= 21, iat=  -1,1136, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   78 GLU  HN           77 VAL  HB          4.50    (#   1550:21  Unique         1.96, 3.09 A)
 &rst
  ixpk= 1550, nxpk= 21, iat=1150,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 VAL  HN           77 VAL  HB          4.50    (#   1551:21  Unique         2.40, 3.16 A)
 &rst
  ixpk= 1551, nxpk= 21, iat=1134,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   77 VAL  HA           77 VAL  HB          4.50    (#   1552:21  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1552, nxpk= 21, iat=1136,1138, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    6 PRO  HD+           6 PRO  HB-         6.00    (#   1553:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1553, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  75,  76,
 igr2=  81,  82,
 &end
#
#   77 VAL  HB           77 VAL  MGX         2.80    (#   1554:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1554, nxpk= 21, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr2=1140,1141,1142,1144,1145,1146,
 &end
#
#   77 VAL  HA           77 VAL  MGX         4.50    (#   1555:21  Unique         2.19, 3.34 A)
 &rst
  ixpk= 1555, nxpk= 21, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1140,1141,1142,1144,1145,1146,
 &end
#
#   77 VAL  HN           77 VAL  MGX         4.50    (#   1556:21  Unique         1.94, 3.51 A)
 &rst
  ixpk= 1556, nxpk= 21, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1140,1141,1142,1144,1145,1146,
 &end
#
#   77 VAL  HA           77 VAL  MGY         4.50    (#   1557:21  Unique         2.19, 3.34 A)
 &rst
  ixpk= 1557, nxpk= 21, iat=1136,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1140,1141,1142,1144,1145,1146,
 &end
#
#   78 GLU  HN           78 GLU  HA          4.50    (#   1558:21  Unique         2.27, 2.59 A)
 &rst
  ixpk= 1558, nxpk= 21, iat=1150,1152, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  HN           80 ASP  HA          4.50    (#   1559:21  Unique         3.48, 3.55 A)
 &rst
  ixpk= 1559, nxpk= 21, iat=1191,1181, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1560    78 GLU  HA          3.50    (#   1560:21  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 21, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1166,1167,1166,1167,
 &end
#
#   80 ASP  HB+          80 ASP  HA          3.50    (#   1561:21  Unique         2.35, 2.68 A)
 &rst
  ixpk= 1561, nxpk= 21, iat=  -1,1181, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1183,1184,
 &end
#
#    0 AMB  21-2:1562    78 GLU  HA          4.50    (#   1562:21  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 21, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1157,1158,1157,1158,
 &end
#
#   78 GLU  HB+          78 GLU  HA          4.50    (#   1563:21  Unique         2.30, 2.67 A)
 &rst
  ixpk= 1563, nxpk= 21, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1154,1155,
 &end
#
#   25 GLN  HG+          25 GLN  HB+         2.80    (#   1566:21  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1566, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 358, 359,
 igr2= 355, 356,
 &end
#
#   18 LYS  HG+          25 GLN  HB+         6.00    (#   1567:21  Unique         2.13, 4.17 A)
 &rst
  ixpk= 1567, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 255, 256,
 igr2= 355, 356,
 &end
#
#   78 GLU  HN            0 AMB  21-1:1568   6.00    (#   1568:21  Single Ambig)
 &rst
  ixpk= 1568, nxpk= 21, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1157,1158,1157,1158,
 &end
#
#   77 VAL  HN            0 AMB  21-1:1569   4.50    (#   1569:21  Single Ambig)
 &rst
  ixpk= 1569, nxpk= 21, iat=1134,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1157,1158,1157,1158,
 &end
#
#   78 GLU  HA            0 AMB  21-1:1570   4.50    (#   1570:21  Single Ambig)
 &rst
  ixpk= 1570, nxpk= 21, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2=1157,1158,1157,1158,
 &end
#
#    0 AMB  21-2:1571     0 AMB  21-1:1571   6.00    (#   1571:21  Double Ambig)
 &rst
  ixpk= 1571, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1166,1167,1166,1167,1166,1167,
 igr2=1157,1158,1157,1158,1157,1158,
 &end
#
#    0 AMB  21-2:1572     0 AMB  21-1:1572   6.00    (#   1572:21  Double Ambig)
 &rst
  ixpk= 1572, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=13.74, r4=14.24,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,1197,1198,1199,1201,1202,1203,
 igr2=1157,1158,1157,1158,1157,1158,1157,1158,
 &end
#
#   80 ASP  HN           79 PRO  HA          4.50    (#   1573:21  Unique         2.16, 2.66 A)
 &rst
  ixpk= 1573, nxpk= 21, iat=1179,1175, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1574    79 PRO  HA          6.00    (#   1574:21  Single Ambig)
 &rst
  ixpk= 1574, nxpk= 21, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1209,1210,1166,1167,1166,1167,
 &end
#
#   82 GLY  HA+          79 PRO  HA          6.00    (#   1575:21  Unique         3.01, 5.14 A)
 &rst
  ixpk= 1575, nxpk= 21, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1209,1210,
 &end
#
#   79 PRO  HB+          79 PRO  HA          4.50    (#   1576:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1576, nxpk= 21, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1172,1173,
 &end
#
#   79 PRO  HB-          79 PRO  HA          4.50    (#   1578:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1578, nxpk= 21, iat=  -1,1175, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1172,1173,
 &end
#
#    0 AMB  21-2:1579     0 AMB  21-1:1579   6.00    (#   1579:21  Double Ambig)
 &rst
  ixpk= 1579, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1209,1210,1166,1167,
 igr2=1172,1173,1172,1173,
 &end
#
#    0 AMB  21-2:1580    79 PRO  HB-         6.00    (#   1580:21  Single Ambig)
 &rst
  ixpk= 1580, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1209,1210,1166,1167,
 igr2=1172,1173,
 &end
#
#   79 PRO  HA           79 PRO  HB+         4.50    (#   1581:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1581, nxpk= 21, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1172,1173,
 &end
#
#   79 PRO  HA           79 PRO  HB-         4.50    (#   1582:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1582, nxpk= 21, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1172,1173,
 &end
#
#    0 AMB  21-2:1584     0 AMB  21-1:1584   2.80    (#   1584:21  Double Ambig)
 &rst
  ixpk= 1584, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1=1169,1170,1169,1170,
 igr2=1172,1173,1172,1173,
 &end
#
#   79 PRO  HA            0 AMB  21-1:1585   6.00    (#   1585:21  Single Ambig)
 &rst
  ixpk= 1585, nxpk= 21, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1169,1170,1169,1170,
 &end
#
#    0 AMB  21-2:1586     0 AMB  21-1:1586   6.00    (#   1586:21  Double Ambig)
 &rst
  ixpk= 1586, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1181,1152,
 igr2=1169,1170,1169,1170,1169,1170,
 &end
#
#    0 AMB  21-2:1587     0 AMB  21-1:1587   2.80    (#   1587:21  Double Ambig)
 &rst
  ixpk= 1587, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1=1209,1210,1166,1167,1166,1167,
 igr2=1169,1170,1169,1170,1169,1170,
 &end
#
#   78 GLU  HN            0 AMB  21-1:1589   6.00    (#   1589:21  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 21, iat=1150,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1166,1167,1166,1167,
 &end
#
#   78 GLU  HA            0 AMB  21-1:1590   3.50    (#   1590:21  Single Ambig)
 &rst
  ixpk= 1590, nxpk= 21, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1166,1167,1166,1167,
 &end
#
#    0 AMB  21-2:1591     0 AMB  21-1:1591   4.50    (#   1591:21  Double Ambig)
 &rst
  ixpk= 1591, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1172,1173,1172,1173,
 igr2=1166,1167,1166,1167,
 &end
#
#    0 AMB  21-2:1592     0 AMB  21-1:1592   2.80    (#   1592:21  Double Ambig)
 &rst
  ixpk= 1592, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.81, r4= 6.31,
 igr1=1169,1170,1169,1170,1169,1170,1089,1090,1089,1090,
      
 igr2=1166,1167,1166,1167,1166,1167,1166,1167,
 &end
#
#   81 VAL  MGX           0 AMB  21-1:1593   6.00    (#   1593:21  Single Ambig)
 &rst
  ixpk= 1593, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1197,1198,1199,1201,1202,1203,
 igr2=1166,1167,1166,1167,
 &end
#
#   82 GLY  HN           81 VAL  HA          6.00    (#   1596:21  Unique         3.36, 3.45 A)
 &rst
  ixpk= 1596, nxpk= 21, iat=1207,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 VAL  HN           81 VAL  HA          6.00    (#   1597:21  Unique         2.76, 2.82 A)
 &rst
  ixpk= 1597, nxpk= 21, iat=1191,1193, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 VAL  HB           81 VAL  HA          4.50    (#   1598:21  Unique         2.42, 2.48 A)
 &rst
  ixpk= 1598, nxpk= 21, iat=1195,1193, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  MGY          81 VAL  HA          2.80    (#   1599:21  Unique         2.21, 3.46 A)
 &rst
  ixpk= 1599, nxpk= 21, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#   82 GLY  HN           81 VAL  HB          4.50    (#   1600:21  Unique         3.86, 3.95 A)
 &rst
  ixpk= 1600, nxpk= 21, iat=1207,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  HN           81 VAL  HB          4.50    (#   1601:21  Unique         3.60, 3.62 A)
 &rst
  ixpk= 1601, nxpk= 21, iat=1191,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  HA           81 VAL  HB          4.50    (#   1603:21  Unique         2.42, 2.48 A)
 &rst
  ixpk= 1603, nxpk= 21, iat=1193,1195, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  MGY          81 VAL  HB          2.80    (#   1604:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1604, nxpk= 21, iat=  -1,1195, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#   81 VAL  HN           81 VAL  MGX         4.50    (#   1605:21  Unique         1.96, 3.04 A)
 &rst
  ixpk= 1605, nxpk= 21, iat=1191,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1197,1198,1199,1201,1202,1203,
 &end
#
#   81 VAL  HB           81 VAL  MGX         3.50    (#   1606:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1606, nxpk= 21, iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2=1197,1198,1199,1201,1202,1203,
 &end
#
#    0 AMB  21-2:1607    30 LEU  MDY         3.50    (#   1607:21  Single Ambig)
 &rst
  ixpk= 1607, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 242, 243, 244, 811, 812, 813,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   83 ALA  HN           82 GLY  HA+         4.50    (#   1608:21  Unique         2.69, 3.22 A)
 &rst
  ixpk= 1608, nxpk= 21, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1209,1210,
 &end
#
#   83 ALA  HN           82 GLY  HA-         6.00    (#   1609:21  Unique         2.69, 3.22 A)
 &rst
  ixpk= 1609, nxpk= 21, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1209,1210,
 &end
#
#   82 GLY  HN           82 GLY  HA+         4.50    (#   1610:21  Unique         2.29, 2.57 A)
 &rst
  ixpk= 1610, nxpk= 21, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1209,1210,
 &end
#
#   82 GLY  HN           82 GLY  HA-         4.50    (#   1611:21  Unique         2.29, 2.57 A)
 &rst
  ixpk= 1611, nxpk= 21, iat=1207,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1209,1210,
 &end
#
#   85 LEU  HB+          82 GLY  HA+         6.00    (#   1614:21  Unique         2.22, 4.45 A)
 &rst
  ixpk= 1614, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1247,1248,
 igr2=1209,1210,
 &end
#
#   85 LEU  HB+          82 GLY  HA-         6.00    (#   1615:21  Unique         2.22, 4.45 A)
 &rst
  ixpk= 1615, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1247,1248,
 igr2=1209,1210,
 &end
#
#   81 VAL  MGY          82 GLY  HA-         6.00    (#   1616:21  Unique         3.16, 5.68 A)
 &rst
  ixpk= 1616, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1197,1198,1199,1201,1202,1203,
 igr2=1209,1210,
 &end
#
#    0 AMB  21-2:1617     0 AMB  21-1:1617   6.00    (#   1617:21  Double Ambig)
 &rst
  ixpk= 1617, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
      1257,1258,
 igr2=1209,1210,1209,1210,
 &end
#
#   81 VAL  MGY          82 GLY  HA+         6.00    (#   1618:21  Unique         3.16, 5.68 A)
 &rst
  ixpk= 1618, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1197,1198,1199,1201,1202,1203,
 igr2=1209,1210,
 &end
#
#   85 LEU  MDX          82 GLY  HA-         6.00    (#   1619:21  Unique         2.13, 6.70 A)
 &rst
  ixpk= 1619, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1252,1253,1254,1256,1257,1258,
 igr2=1209,1210,
 &end
#
#    8 GLN  HN            8 GLN  HA          4.50    (#   1620:21  Unique         2.92, 2.93 A)
 &rst
  ixpk= 1620, nxpk= 21, iat=  95,  97, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   83 ALA  HN           83 ALA  HA          4.50    (#   1621:21  Unique         2.79, 2.86 A)
 &rst
  ixpk= 1621, nxpk= 21, iat=1214,1216, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ILE  HA            8 GLN  HA          6.00    (#   1622:21  Unique         4.35, 4.35 A)
 &rst
  ixpk= 1622, nxpk= 21, iat= 114,  97, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 GLY  HA-          83 ALA  HA          6.00    (#   1623:21  Unique         2.64, 4.83 A)
 &rst
  ixpk= 1623, nxpk= 21, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1285,1286,
 &end
#
#   83 ALA  HN           83 ALA  MB          4.50    (#   1624:21  Unique         2.07, 2.92 A)
 &rst
  ixpk= 1624, nxpk= 21, iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2=1218,1219,1220,
 &end
#
#   80 ASP  HA           83 ALA  MB          6.00    (#   1628:21  Unique         3.19, 4.54 A)
 &rst
  ixpk= 1628, nxpk= 21, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=1218,1219,1220,
 &end
#
#   83 ALA  HA           83 ALA  MB          3.50    (#   1629:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1629, nxpk= 21, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=1218,1219,1220,
 &end
#
#   84 LEU  MDX          84 LEU  HA          2.80    (#   1630:21  Unique         2.20, 4.22 A)
 &rst
  ixpk= 1630, nxpk= 21, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   84 LEU  HB-          84 LEU  HA          4.50    (#   1631:21  Unique         2.26, 2.57 A)
 &rst
  ixpk= 1631, nxpk= 21, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1228,1229,
 &end
#
#   90 LYS  HB+          84 LEU  HA          6.00    (#   1632:21  Unique         3.18, 5.52 A)
 &rst
  ixpk= 1632, nxpk= 21, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1324,1325,
 &end
#
#   89 GLU  HB-          84 LEU  HA          4.50    (#   1633:21  Unique         2.20, 5.10 A)
 &rst
  ixpk= 1633, nxpk= 21, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1309,1310,
 &end
#
#    0 AMB  21-2:1634    84 LEU  HA          4.50    (#   1634:21  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 21, iat=  -1,1226, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1320,1243,
 &end
#
#   84 LEU  HN           84 LEU  HA          6.00    (#   1635:21  Unique         2.73, 2.88 A)
 &rst
  ixpk= 1635, nxpk= 21, iat=1224,1226, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 LEU  HN           84 LEU  HB+         6.00    (#   1636:21  Unique         2.73, 3.23 A)
 &rst
  ixpk= 1636, nxpk= 21, iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1228,1229,
 &end
#
#   85 LEU  HN           84 LEU  HB+         6.00    (#   1637:21  Unique         2.10, 3.36 A)
 &rst
  ixpk= 1637, nxpk= 21, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1228,1229,
 &end
#
#   84 LEU  HA           84 LEU  HB+         6.00    (#   1638:21  Unique         2.26, 2.57 A)
 &rst
  ixpk= 1638, nxpk= 21, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1228,1229,
 &end
#
#   81 VAL  HA           84 LEU  HB+         6.00    (#   1639:21  Unique         2.93, 4.37 A)
 &rst
  ixpk= 1639, nxpk= 21, iat=1193,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1228,1229,
 &end
#
#   84 LEU  MDY          84 LEU  HB+         4.50    (#   1641:21  Unique         2.01, 3.27 A)
 &rst
  ixpk= 1641, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1233,1234,1235,1237,1238,1239,
 igr2=1228,1229,
 &end
#
#   84 LEU  HN           84 LEU  HG          6.00    (#   1642:21  Unique         1.84, 2.04 A)
 &rst
  ixpk= 1642, nxpk= 21, iat=1224,1231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 LEU  HA           84 LEU  HG          6.00    (#   1643:21  Unique         3.49, 3.56 A)
 &rst
  ixpk= 1643, nxpk= 21, iat=1226,1231, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 MET  HN           48 VAL  MGY         4.50    (#   1645:21  Unique         3.02, 4.96 A)
 &rst
  ixpk= 1645, nxpk= 21, iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   85 LEU  HN           85 LEU  HA          4.50    (#   1646:21  Unique         2.76, 2.84 A)
 &rst
  ixpk= 1646, nxpk= 21, iat=1243,1245, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   85 LEU  HB-          85 LEU  HA          4.50    (#   1648:21  Unique         2.29, 2.80 A)
 &rst
  ixpk= 1648, nxpk= 21, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1247,1248,
 &end
#
#    0 AMB  21-2:1649    85 LEU  HA          3.50    (#   1649:21  Single Ambig)
 &rst
  ixpk= 1649, nxpk= 21, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
      1257,1258,
 &end
#
#   84 LEU  HB-          85 LEU  HA          4.50    (#   1650:21  Unique         3.86, 4.57 A)
 &rst
  ixpk= 1650, nxpk= 21, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1228,1229,
 &end
#
#   85 LEU  HN           85 LEU  HB+         4.50    (#   1651:21  Unique         2.05, 2.74 A)
 &rst
  ixpk= 1651, nxpk= 21, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1247,1248,
 &end
#
#   85 LEU  HN           85 LEU  HB-         6.00    (#   1652:21  Unique         2.05, 2.74 A)
 &rst
  ixpk= 1652, nxpk= 21, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1247,1248,
 &end
#
#   85 LEU  HA           85 LEU  HB+         4.50    (#   1653:21  Unique         2.29, 2.80 A)
 &rst
  ixpk= 1653, nxpk= 21, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1247,1248,
 &end
#
#   85 LEU  HA           85 LEU  HB-         6.00    (#   1654:21  Unique         2.29, 2.80 A)
 &rst
  ixpk= 1654, nxpk= 21, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1247,1248,
 &end
#
#    0 AMB  21-2:1655     0 AMB  21-1:1655   4.50    (#   1655:21  Double Ambig)
 &rst
  ixpk= 1655, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1243, 968,
 igr2=1250, 951, 952,
 &end
#
#   85 LEU  HA           85 LEU  HG          6.00    (#   1656:21  Unique         2.23, 3.14 A)
 &rst
  ixpk= 1656, nxpk= 21, iat=1245,1250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   85 LEU  HA           85 LEU  MDX         6.00    (#   1657:21  Unique         2.00, 3.53 A)
 &rst
  ixpk= 1657, nxpk= 21, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1252,1253,1254,1256,1257,1258,
 &end
#
#   86 TYR  HE           85 LEU  MDX         6.00    (#   1658:21  Unique         2.70, 8.22 A)
 &rst
  ixpk= 1658, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1272,1277,
 igr2=1252,1253,1254,1256,1257,1258,
 &end
#
#   85 LEU  HB+          85 LEU  MDX         3.50    (#   1659:21  Unique         2.02, 3.35 A)
 &rst
  ixpk= 1659, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1247,1248,
 igr2=1252,1253,1254,1256,1257,1258,
 &end
#
#   85 LEU  HA           85 LEU  MDY         4.50    (#   1660:21  Unique         2.00, 3.53 A)
 &rst
  ixpk= 1660, nxpk= 21, iat=1245,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2=1252,1253,1254,1256,1257,1258,
 &end
#
#   85 LEU  HB+          85 LEU  MDY         6.00    (#   1662:21  Unique         2.02, 3.35 A)
 &rst
  ixpk= 1662, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1247,1248,
 igr2=1252,1253,1254,1256,1257,1258,
 &end
#
#   85 LEU  HN           87 GLY  HA-         6.00    (#   1664:21  Unique         5.04, 6.32 A)
 &rst
  ixpk= 1664, nxpk= 21, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1285,1286,
 &end
#
#   88 GLU  HN           87 GLY  HA-         6.00    (#   1665:21  Unique         2.14, 2.71 A)
 &rst
  ixpk= 1665, nxpk= 21, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1285,1286,
 &end
#
#    0 AMB  21-2:1666    74 MET  HA          6.00    (#   1666:21  Single Ambig)
 &rst
  ixpk= 1666, nxpk= 21, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#    0 AMB  21-2:1667    74 MET  HA          2.80    (#   1667:21  Single Ambig)
 &rst
  ixpk= 1667, nxpk= 21, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=1089,1090,1089,1090,
 &end
#
#   74 MET  HG+          74 MET  HA          4.50    (#   1668:21  Unique         2.06, 2.84 A)
 &rst
  ixpk= 1668, nxpk= 21, iat=  -1,1087, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1092,1093,
 &end
#
#   75 PHE  HN           74 MET  HA          4.50    (#   1670:21  Unique         3.32, 3.43 A)
 &rst
  ixpk= 1670, nxpk= 21, iat=1102,1087, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1672     0 AMB  21-1:1672   6.00    (#   1672:21  Double Ambig)
 &rst
  ixpk= 1672, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1292,1307,
 igr2=1294,1295,1309,1310,
 &end
#
#    0 AMB  21-2:1673     0 AMB  21-1:1673   6.00    (#   1673:21  Double Ambig)
 &rst
  ixpk= 1673, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1292,1307,
 igr2=1294,1295,1309,1310,
 &end
#
#   65 ARG  HN           65 ARG  HG+         4.50    (#   1674:21  Unique         2.04, 3.51 A)
 &rst
  ixpk= 1674, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 951, 952,
 &end
#
#   65 ARG  HN           65 ARG  HG-         4.50    (#   1675:21  Unique         2.04, 3.51 A)
 &rst
  ixpk= 1675, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 951, 952,
 &end
#
#   65 ARG  HA           65 ARG  HG-         6.00    (#   1676:21  Unique         2.40, 2.89 A)
 &rst
  ixpk= 1676, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 951, 952,
 &end
#
#   65 ARG  HA           65 ARG  HG+         6.00    (#   1677:21  Unique         2.40, 2.89 A)
 &rst
  ixpk= 1677, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 951, 952,
 &end
#
#    0 AMB  21-2:1678     0 AMB  21-1:1678   4.50    (#   1678:21  Double Ambig)
 &rst
  ixpk= 1678, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 954, 955, 954, 955,
 igr2= 951, 952, 951, 952,
 &end
#
#    0 AMB  21-2:1679    65 ARG  HG-         4.50    (#   1679:21  Single Ambig)
 &rst
  ixpk= 1679, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 954, 955, 954, 955,
 igr2= 951, 952,
 &end
#
#   65 ARG  HB+          65 ARG  HG+         2.80    (#   1680:21  Unique         2.23, 2.72 A)
 &rst
  ixpk= 1680, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   65 ARG  HB+          65 ARG  HG-         3.50    (#   1681:21  Unique         2.23, 2.72 A)
 &rst
  ixpk= 1681, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 948, 949,
 igr2= 951, 952,
 &end
#
#   65 ARG  HA            0 AMB  21-1:1682   6.00    (#   1682:21  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 954, 955, 954, 955,
 &end
#
#   62 ALA  HA            0 AMB  21-1:1683   6.00    (#   1683:21  Single Ambig)
 &rst
  ixpk= 1683, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 954, 955, 954, 955,
 &end
#
#   65 ARG  HE            0 AMB  21-1:1685   6.00    (#   1685:21  Single Ambig)
 &rst
  ixpk= 1685, nxpk= 21, iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 954, 955, 954, 955,
 &end
#
#   65 ARG  HN            0 AMB  21-1:1686   6.00    (#   1686:21  Single Ambig)
 &rst
  ixpk= 1686, nxpk= 21, iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 954, 955, 954, 955,
 &end
#
#    0 AMB  21-2:1687     0 AMB  21-1:1687   6.00    (#   1687:21  Double Ambig)
 &rst
  ixpk= 1687, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 898, 899, 898, 899,
 igr2= 954, 955, 954, 955,
 &end
#
#    0 AMB  21-2:1688     0 AMB  21-1:1688   3.50    (#   1688:21  Double Ambig)
 &rst
  ixpk= 1688, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 948, 949, 948, 949,
 igr2= 954, 955, 954, 955,
 &end
#
#   65 ARG  HG-           0 AMB  21-1:1689   3.50    (#   1689:21  Single Ambig)
 &rst
  ixpk= 1689, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 951, 952,
 igr2= 954, 955, 954, 955,
 &end
#
#    3 ILE  HN            3 ILE  HA          6.00    (#   1691:21  Unique         2.28, 2.75 A)
 &rst
  ixpk= 1691, nxpk= 21, iat=  32,  34, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HB-          28 VAL  HA          6.00    (#   1692:21  Unique         4.11, 4.71 A)
 &rst
  ixpk= 1692, nxpk= 21, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 425,
 &end
#
#   27 ASP  HB-          28 VAL  HA          6.00    (#   1693:21  Unique         4.28, 4.95 A)
 &rst
  ixpk= 1693, nxpk= 21, iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 396, 397,
 &end
#
#    3 ILE  HN            3 ILE  HB          6.00    (#   1694:21  Unique         2.30, 2.95 A)
 &rst
  ixpk= 1694, nxpk= 21, iat=  32,  36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 GLY  HN            3 ILE  HB          6.00    (#   1695:21  Unique         2.08, 3.89 A)
 &rst
  ixpk= 1695, nxpk= 21, iat=  51,  36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 ILE  HA            3 ILE  HB          4.50    (#   1696:21  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1696, nxpk= 21, iat=  34,  36, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1697     3 ILE  HB          4.50    (#   1697:21  Single Ambig)
 &rst
  ixpk= 1697, nxpk= 21, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=  38,  39,  40,  45,  46,  47,
 &end
#
#    0 AMB  21-2:1698     3 ILE  HB          4.50    (#   1698:21  Single Ambig)
 &rst
  ixpk= 1698, nxpk= 21, iat=  -1,  36, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 737, 738, 739, 741, 742, 743,  42,  43,
 &end
#
#    6 PRO  HB-          67 THR  HB          6.00    (#   1699:21  Unique         3.57, 4.25 A)
 &rst
  ixpk= 1699, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#    2 CYS  HA            0 AMB  21-1:1701   6.00    (#   1701:21  Single Ambig)
 &rst
  ixpk= 1701, nxpk= 21, iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  25,  26,  25,  26,
 &end
#
#    0 AMB  21-2:1702     0 AMB  21-1:1702   6.00    (#   1702:21  Double Ambig)
 &rst
  ixpk= 1702, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1262,1283,
 igr2=1266,1267,1266,1267,
 &end
#
#   86 TYR  HD           86 TYR  HB+         6.00    (#   1703:21  Unique         2.30, 3.06 A)
 &rst
  ixpk= 1703, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1270,1279,
 igr2=1266,1267,
 &end
#
#   86 TYR  HA           86 TYR  HB+         4.50    (#   1704:21  Unique         2.23, 2.75 A)
 &rst
  ixpk= 1704, nxpk= 21, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1266,1267,
 &end
#
#   86 TYR  HA           86 TYR  HB-         6.00    (#   1705:21  Unique         2.23, 2.75 A)
 &rst
  ixpk= 1705, nxpk= 21, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1266,1267,
 &end
#
#    0 AMB  21-2:1707    86 TYR  HB-         6.00    (#   1707:21  Single Ambig)
 &rst
  ixpk= 1707, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1262,1283,
 igr2=1266,1267,
 &end
#
#   86 TYR  HD           86 TYR  HB-         6.00    (#   1708:21  Unique         2.30, 3.06 A)
 &rst
  ixpk= 1708, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1270,1279,
 igr2=1266,1267,
 &end
#
#   83 ALA  HA           86 TYR  HB-         6.00    (#   1709:21  Unique         2.52, 4.34 A)
 &rst
  ixpk= 1709, nxpk= 21, iat=1216,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1266,1267,
 &end
#
#    0 AMB  21-2:1710     0 AMB  21-1:1710   6.00    (#   1710:21  Double Ambig)
 &rst
  ixpk= 1710, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1209,1210,1285,1286,
 igr2=1266,1267,1266,1267,
 &end
#
#    0 AMB  21-2:1711    86 TYR  HB-         6.00    (#   1711:21  Single Ambig)
 &rst
  ixpk= 1711, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1209,1210,1285,1286,1285,1286,
 igr2=1266,1267,
 &end
#
#   26 ARG  HE            3 ILE  HB          6.00    (#   1712:21  Unique         4.42, 7.59 A)
 &rst
  ixpk= 1712, nxpk= 21, iat= 381,  36, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 SER  HN           48 VAL  MGX         6.00    (#   1713:21  Unique         2.27, 4.71 A)
 &rst
  ixpk= 1713, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   19 VAL  MGX          48 VAL  MGX         3.50    (#   1714:21  Unique         1.98, 5.59 A)
 &rst
  ixpk= 1714, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  21-2:1715     0 AMB  21-1:1715   6.00    (#   1715:21  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=  38,  39,  40,  45,  46,  47,
 igr2=  42,  43,  42,  43,
 &end
#
#    3 ILE  HA            3 ILE  HG1-        6.00    (#   1716:21  Unique         2.34, 3.21 A)
 &rst
  ixpk= 1716, nxpk= 21, iat=  34,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  42,  43,
 &end
#
#    0 AMB  21-2:1717     3 ILE  HG1-        6.00    (#   1717:21  Single Ambig)
 &rst
  ixpk= 1717, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  38,  39,  40,  45,  46,  47,
 igr2=  42,  43,
 &end
#
#   49 LEU  MDY           0 AMB  21-1:1721   6.00    (#   1721:21  Single Ambig)
 &rst
  ixpk= 1721, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2=  53,  54,  53,  54,
 &end
#
#    0 AMB  21-2:1722     0 AMB  21-1:1722   6.00    (#   1722:21  Double Ambig)
 &rst
  ixpk= 1722, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 716, 717,  42,  43,
 igr2=  53,  54,  53,  54,  53,  54,
 &end
#
#    5 VAL  HB            0 AMB  21-1:1723   6.00    (#   1723:21  Single Ambig)
 &rst
  ixpk= 1723, nxpk= 21, iat=  62,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=  53,  54,  53,  54,
 &end
#
#   25 GLN  HE2-         25 GLN  HG-         6.00    (#   1724:21  Unique         2.65, 3.52 A)
 &rst
  ixpk= 1724, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 363, 364,
 igr2= 358, 359,
 &end
#
#    3 ILE  HA            5 VAL  HB          6.00    (#   1725:21  Unique         5.12, 5.52 A)
 &rst
  ixpk= 1725, nxpk= 21, iat=  34,  62, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HG+          25 GLN  HG-         6.00    (#   1726:21  Unique         1.92, 4.38 A)
 &rst
  ixpk= 1726, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 255, 256,
 igr2= 358, 359,
 &end
#
#   18 LYS  HB-          25 GLN  HG-         6.00    (#   1727:21  Unique         2.11, 4.43 A)
 &rst
  ixpk= 1727, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 252, 253,
 igr2= 358, 359,
 &end
#
#    0 AMB  21-2:1728    25 GLN  HG-         6.00    (#   1728:21  Single Ambig)
 &rst
  ixpk= 1728, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 138, 139, 138, 139,
 igr2= 358, 359,
 &end
#
#   25 GLN  HB-          25 GLN  HG-         2.80    (#   1729:21  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1729, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 355, 356,
 igr2= 358, 359,
 &end
#
#    0 AMB  21-2:1730     5 VAL  HB          6.00    (#   1730:21  Single Ambig)
 &rst
  ixpk= 1730, nxpk= 21, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  38,  39,  40,  45,  46,  47,
 &end
#
#    6 PRO  HD-           5 VAL  HB          6.00    (#   1731:21  Unique         3.77, 4.44 A)
 &rst
  ixpk= 1731, nxpk= 21, iat=  -1,  62, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#    0 AMB  21-2:1732    67 THR  MG2         6.00    (#   1732:21  Single Ambig)
 &rst
  ixpk= 1732, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1=1029,1030,1031,1039,1040,
 igr2= 986, 987, 988,
 &end
#
#   49 LEU  MDY          67 THR  MG2         3.50    (#   1733:21  Unique         2.72, 5.81 A)
 &rst
  ixpk= 1733, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 721, 722, 723, 725, 726, 727,
 igr2= 986, 987, 988,
 &end
#
#   47 TRP  HE3           6 PRO  HA          6.00    (#   1734:21  Unique         3.85, 4.20 A)
 &rst
  ixpk= 1734, nxpk= 21, iat= 691,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HB-           6 PRO  HA          4.50    (#   1735:21  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1735, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  81,  82,
 &end
#
#    0 AMB  21-2:1736     6 PRO  HA          6.00    (#   1736:21  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#   64 ALA  HA            6 PRO  HA          6.00    (#   1737:21  Unique         4.98, 5.13 A)
 &rst
  ixpk= 1737, nxpk= 21, iat= 936,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1738     0 AMB  21-1:1738   6.00    (#   1738:21  Double Ambig)
 &rst
  ixpk= 1738, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 984, 509,
 igr2=  81,  82, 488,
 &end
#
#    6 PRO  HD+           6 PRO  HB+         6.00    (#   1739:21  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1739, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  75,  76,
 igr2=  81,  82,
 &end
#
#    6 PRO  HG-           6 PRO  HB+         4.50    (#   1740:21  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1740, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#    6 PRO  HG-           6 PRO  HB-         2.80    (#   1741:21  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1741, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1=  78,  79,
 igr2=  81,  82,
 &end
#
#   68 LEU  HG            6 PRO  HB-         4.50    (#   1742:21  Unique         3.69, 4.98 A)
 &rst
  ixpk= 1742, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  81,  82,
 &end
#
#   30 LEU  HB-          33 VAL  HB          6.00    (#   1743:21  Unique         2.51, 4.79 A)
 &rst
  ixpk= 1743, nxpk= 21, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 436, 437,
 &end
#
#   68 LEU  HG            6 PRO  HG+         4.50    (#   1744:21  Unique         2.08, 3.03 A)
 &rst
  ixpk= 1744, nxpk= 21, iat=1001,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  78,  79,
 &end
#
#   49 LEU  HA            6 PRO  HG-         6.00    (#   1745:21  Unique         4.78, 5.32 A)
 &rst
  ixpk= 1745, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#   49 LEU  HA            6 PRO  HG+         6.00    (#   1746:21  Unique         4.78, 5.32 A)
 &rst
  ixpk= 1746, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  78,  79,
 &end
#
#    6 PRO  HA            6 PRO  HD+         6.00    (#   1747:21  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1747, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#    6 PRO  HA            6 PRO  HD-         6.00    (#   1748:21  Unique         3.60, 3.85 A)
 &rst
  ixpk= 1748, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#   67 THR  HB            6 PRO  HD-         6.00    (#   1749:21  Unique         2.82, 3.44 A)
 &rst
  ixpk= 1749, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#   67 THR  HB            6 PRO  HD+         6.00    (#   1750:21  Unique         2.82, 3.44 A)
 &rst
  ixpk= 1750, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  75,  76,
 &end
#
#   47 TRP  HE3           7 GLY  HA-         6.00    (#   1752:21  Unique         2.77, 3.51 A)
 &rst
  ixpk= 1752, nxpk= 21, iat= 691,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  90,  91,
 &end
#
#   83 ALA  MB           83 ALA  HA          3.50    (#   1753:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1753, nxpk= 21, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=1218,1219,1220,
 &end
#
#    0 AMB  21-2:1754     0 AMB  21-1:1754   6.00    (#   1754:21  Double Ambig)
 &rst
  ixpk= 1754, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 702, 703, 704, 706, 707, 708,1233,1234,1235,1237,
      1238,1239,
 igr2=  97,1216,
 &end
#
#   19 VAL  MGX           8 GLN  HA          6.00    (#   1755:21  Unique         3.65, 5.57 A)
 &rst
  ixpk= 1755, nxpk= 21, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   86 TYR  HD           83 ALA  HA          6.00    (#   1756:21  Unique         2.02, 5.68 A)
 &rst
  ixpk= 1756, nxpk= 21, iat=  -1,1216, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1270,1279,
 &end
#
#    9 ILE  HN            8 GLN  HB+         6.00    (#   1757:21  Unique         3.80, 4.09 A)
 &rst
  ixpk= 1757, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#    9 ILE  HN            8 GLN  HB-         6.00    (#   1758:21  Unique         3.80, 4.09 A)
 &rst
  ixpk= 1758, nxpk= 21, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#   47 TRP  HD1           8 GLN  HB+         6.00    (#   1759:21  Unique         4.56, 5.13 A)
 &rst
  ixpk= 1759, nxpk= 21, iat= 680,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#    0 AMB  21-2:1761     0 AMB  21-1:1761   6.00    (#   1761:21  Double Ambig)
 &rst
  ixpk= 1761, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 107, 108, 689,
 igr2=  99, 100,  99, 100,
 &end
#
#   47 TRP  HZ2           8 GLN  HB-         6.00    (#   1762:21  Unique         2.91, 3.83 A)
 &rst
  ixpk= 1762, nxpk= 21, iat= 685,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#    0 AMB  21-2:1764     8 GLN  HB-         6.00    (#   1764:21  Single Ambig)
 &rst
  ixpk= 1764, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 107, 108, 689,
 igr2=  99, 100,
 &end
#
#   47 TRP  HA            8 GLN  HB-         6.00    (#   1765:21  Unique         4.78, 5.17 A)
 &rst
  ixpk= 1765, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#   47 TRP  HA            8 GLN  HB+         6.00    (#   1766:21  Unique         4.78, 5.17 A)
 &rst
  ixpk= 1766, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=  99, 100,
 &end
#
#    8 GLN  HN            8 GLN  HG+         6.00    (#   1767:21  Unique         4.37, 4.55 A)
 &rst
  ixpk= 1767, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    8 GLN  HN            8 GLN  HG-         6.00    (#   1768:21  Unique         4.37, 4.55 A)
 &rst
  ixpk= 1768, nxpk= 21, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   47 TRP  HA            8 GLN  HG-         6.00    (#   1769:21  Unique         3.56, 4.32 A)
 &rst
  ixpk= 1769, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   47 TRP  HA            8 GLN  HG+         6.00    (#   1770:21  Unique         3.56, 4.32 A)
 &rst
  ixpk= 1770, nxpk= 21, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#   12 ILE  MD1           9 ILE  HA          6.00    (#   1771:21  Unique         4.99, 6.03 A)
 &rst
  ixpk= 1771, nxpk= 21, iat=  -1, 114, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 182, 183, 184,
 &end
#
#   17 ALA  MB            9 ILE  HB          6.00    (#   1773:21  Unique         4.55, 5.07 A)
 &rst
  ixpk= 1773, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 242, 243, 244,
 &end
#
#    0 AMB  21-2:1774     9 ILE  HB          6.00    (#   1774:21  Single Ambig)
 &rst
  ixpk= 1774, nxpk= 21, iat=  -1, 116, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 182, 183, 184, 638, 639, 640, 642, 643, 644,
 &end
#
#   46 GLN  HN            9 ILE  MG2         6.00    (#   1776:21  Unique         6.01, 6.76 A)
 &rst
  ixpk= 1776, nxpk= 21, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   44 VAL  HN            9 ILE  MG2         6.00    (#   1777:21  Unique         4.09, 5.25 A)
 &rst
  ixpk= 1777, nxpk= 21, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   17 ALA  HA            9 ILE  MG2         6.00    (#   1778:21  Unique         4.08, 4.70 A)
 &rst
  ixpk= 1778, nxpk= 21, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 118, 119, 120,
 &end
#
#   10 ARG  HN            9 ILE  HG1-        6.00    (#   1779:21  Unique         4.67, 4.92 A)
 &rst
  ixpk= 1779, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#   10 ARG  HN            9 ILE  HG1+        6.00    (#   1780:21  Unique         4.67, 4.92 A)
 &rst
  ixpk= 1780, nxpk= 21, iat= 131,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 122, 123,
 &end
#
#    0 AMB  21-2:1781     9 ILE  MD1         6.00    (#   1781:21  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 436, 437, 439,
 igr2= 125, 126, 127,
 &end
#
#    0 AMB  21-2:1782     0 AMB  21-1:1782   6.00    (#   1782:21  Double Ambig)
 &rst
  ixpk= 1782, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 650, 651, 114,
 igr2= 657, 133,
 &end
#
#    0 AMB  21-2:1784    46 GLN  HA          6.00    (#   1784:21  Single Ambig)
 &rst
  ixpk= 1784, nxpk= 21, iat=  -1, 657, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 851, 852, 853, 855, 856, 857, 612, 613,
 &end
#
#    8 GLN  HG-          10 ARG  HA          4.50    (#   1785:21  Unique         3.37, 4.32 A)
 &rst
  ixpk= 1785, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 102, 103,
 &end
#
#    9 ILE  HA            0 AMB  21-1:1786   6.00    (#   1786:21  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 135, 136, 135, 136,
 &end
#
#   18 LYS  HB-           0 AMB  21-1:1789   6.00    (#   1789:21  Single Ambig)
 &rst
  ixpk= 1789, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 252, 253,
 igr2= 135, 136, 135, 136,
 &end
#
#    0 AMB  21-2:1790     0 AMB  21-1:1790   2.80    (#   1790:21  Double Ambig)
 &rst
  ixpk= 1790, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 135, 136, 135, 136, 135, 136,
 igr2= 138, 139, 138, 139, 138, 139,
 &end
#
#    0 AMB  21-2:1792    11 THR  HA          4.50    (#   1792:21  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 21, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#   18 LYS  HD-          11 THR  HB          6.00    (#   1793:21  Unique         3.14, 3.99 A)
 &rst
  ixpk= 1793, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 258, 259,
 &end
#
#    0 AMB  21-2:1794    11 THR  HB          6.00    (#   1794:21  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 21, iat=  -1, 159, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 135, 136, 135, 136, 355, 356,
 &end
#
#   12 ILE  HN           11 THR  MG2         4.50    (#   1795:21  Unique         3.11, 3.79 A)
 &rst
  ixpk= 1795, nxpk= 21, iat= 169,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 161, 162, 163,
 &end
#
#   13 ASP  HA           12 ILE  HA          6.00    (#   1796:21  Unique         4.40, 4.40 A)
 &rst
  ixpk= 1796, nxpk= 21, iat= 190, 171, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HG1-         12 ILE  HB          2.80    (#   1799:21  Unique         2.77, 2.85 A)
 &rst
  ixpk= 1799, nxpk= 21, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 179, 180,
 &end
#
#   11 THR  HA           12 ILE  HB          6.00    (#   1800:21  Unique         4.57, 4.65 A)
 &rst
  ixpk= 1800, nxpk= 21, iat= 157, 173, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  MDY           0 AMB  21-1:1801   3.50    (#   1801:21  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.80, r4= 7.30,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 175, 176, 177, 490, 491, 492, 494, 495, 496,
 &end
#
#   12 ILE  HB           12 ILE  MG2         4.50    (#   1802:21  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1802, nxpk= 21, iat= 173,  -1, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr2= 175, 176, 177,
 &end
#
#   30 LEU  MDY          12 ILE  HG1-        6.00    (#   1803:21  Unique         3.41, 5.76 A)
 &rst
  ixpk= 1803, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 179, 180,
 &end
#
#   13 ASP  HN           12 ILE  HG1-        6.00    (#   1804:21  Unique         4.62, 4.91 A)
 &rst
  ixpk= 1804, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   13 ASP  HN           12 ILE  HG1+        6.00    (#   1805:21  Unique         4.62, 4.91 A)
 &rst
  ixpk= 1805, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   18 LYS  HN           12 ILE  HG1+        6.00    (#   1806:21  Unique         3.97, 4.67 A)
 &rst
  ixpk= 1806, nxpk= 21, iat= 248,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 179, 180,
 &end
#
#   44 VAL  HB           12 ILE  MD1         6.00    (#   1808:21  Unique         2.21, 3.82 A)
 &rst
  ixpk= 1808, nxpk= 21, iat= 636,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   30 LEU  MDY          12 ILE  MD1         6.00    (#   1809:21  Unique         5.48, 7.79 A)
 &rst
  ixpk= 1809, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 182, 183, 184,
 &end
#
#    9 ILE  MG2          12 ILE  MD1         4.50    (#   1810:21  Unique         2.81, 4.41 A)
 &rst
  ixpk= 1810, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 118, 119, 120,
 igr2= 182, 183, 184,
 &end
#
#   44 VAL  HA           12 ILE  MD1         6.00    (#   1811:21  Unique         1.97, 3.27 A)
 &rst
  ixpk= 1811, nxpk= 21, iat= 634,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#   12 ILE  MG2          13 ASP  HB-         6.00    (#   1812:21  Unique         5.26, 6.45 A)
 &rst
  ixpk= 1812, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 175, 176, 177,
 igr2= 192, 193,
 &end
#
#   12 ILE  MG2          13 ASP  HB+         6.00    (#   1813:21  Unique         5.26, 6.45 A)
 &rst
  ixpk= 1813, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 175, 176, 177,
 igr2= 192, 193,
 &end
#
#    0 AMB  21-2:1814     0 AMB  21-1:1814   6.00    (#   1814:21  Double Ambig)
 &rst
  ixpk= 1814, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 192, 193, 211, 212,
 igr2= 202, 203, 202, 203,
 &end
#
#    0 AMB  21-2:1815    14 GLY  HA-         6.00    (#   1815:21  Single Ambig)
 &rst
  ixpk= 1815, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 192, 193, 211, 212,
 igr2= 202, 203,
 &end
#
#   15 ASN  HN           15 ASN  HB-         6.00    (#   1816:21  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1816, nxpk= 21, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   15 ASN  HN           15 ASN  HB+         6.00    (#   1817:21  Unique         2.40, 3.06 A)
 &rst
  ixpk= 1817, nxpk= 21, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   30 LEU  HN           15 ASN  HB+         6.00    (#   1818:21  Unique         3.41, 4.10 A)
 &rst
  ixpk= 1818, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   31 THR  HN           15 ASN  HB+         6.00    (#   1819:21  Unique         3.91, 4.86 A)
 &rst
  ixpk= 1819, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   30 LEU  HN           15 ASN  HB-         6.00    (#   1820:21  Unique         3.41, 4.10 A)
 &rst
  ixpk= 1820, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   31 THR  HN           15 ASN  HB-         6.00    (#   1821:21  Unique         3.91, 4.86 A)
 &rst
  ixpk= 1821, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 211, 212,
 &end
#
#   13 ASP  HN           16 GLN  HB+         6.00    (#   1822:21  Unique         4.95, 5.38 A)
 &rst
  ixpk= 1822, nxpk= 21, iat= 188,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 225, 226,
 &end
#
#    0 AMB  21-2:1823     0 AMB  21-1:1823   6.00    (#   1823:21  Double Ambig)
 &rst
  ixpk= 1823, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 192, 193, 192, 193,
 igr2= 228, 229, 228, 229,
 &end
#
#   11 THR  HN           17 ALA  HA          6.00    (#   1824:21  Unique         5.40, 5.49 A)
 &rst
  ixpk= 1824, nxpk= 21, iat= 155, 240, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 GLN  HB-          17 ALA  HA          6.00    (#   1825:21  Unique         4.50, 5.07 A)
 &rst
  ixpk= 1825, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 226,
 &end
#
#   30 LEU  MDY          17 ALA  HA          6.00    (#   1826:21  Unique         3.32, 5.21 A)
 &rst
  ixpk= 1826, nxpk= 21, iat=  -1, 240, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#    9 ILE  MG2          17 ALA  MB          2.80    (#   1829:21  Unique         1.97, 2.90 A)
 &rst
  ixpk= 1829, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 118, 119, 120,
 igr2= 242, 243, 244,
 &end
#
#   18 LYS  HB-          18 LYS  HA          4.50    (#   1830:21  Unique         2.71, 2.84 A)
 &rst
  ixpk= 1830, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 252, 253,
 &end
#
#    0 AMB  21-2:1831    18 LYS  HA          6.00    (#   1831:21  Single Ambig)
 &rst
  ixpk= 1831, nxpk= 21, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   11 THR  HB           18 LYS  HB+         6.00    (#   1833:21  Unique         1.92, 2.26 A)
 &rst
  ixpk= 1833, nxpk= 21, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#   11 THR  HB           18 LYS  HB-         6.00    (#   1834:21  Unique         1.92, 2.26 A)
 &rst
  ixpk= 1834, nxpk= 21, iat= 159,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 252, 253,
 &end
#
#    0 AMB  21-2:1835     0 AMB  21-1:1835   6.00    (#   1835:21  Double Ambig)
 &rst
  ixpk= 1835, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 270, 368,
 igr2= 252, 253, 252, 253,
 &end
#
#    0 AMB  21-2:1836    18 LYS  HB-         6.00    (#   1836:21  Single Ambig)
 &rst
  ixpk= 1836, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 270, 368,
 igr2= 252, 253,
 &end
#
#   17 ALA  HA           18 LYS  HG+         6.00    (#   1837:21  Unique         5.51, 6.06 A)
 &rst
  ixpk= 1837, nxpk= 21, iat= 240,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 255, 256,
 &end
#
#   37 ASP  HB-          43 ARG  HG+         6.00    (#   1838:21  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1838, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 615, 616,
 &end
#
#   43 ARG  HD-          43 ARG  HG+         4.50    (#   1839:21  Unique         2.22, 2.67 A)
 &rst
  ixpk= 1839, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 618, 619,
 igr2= 615, 616,
 &end
#
#   42 PRO  HA           43 ARG  HG-         6.00    (#   1840:21  Unique         3.46, 4.16 A)
 &rst
  ixpk= 1840, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   36 CYS  HA           43 ARG  HG-         6.00    (#   1841:21  Unique         2.39, 3.49 A)
 &rst
  ixpk= 1841, nxpk= 21, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   36 CYS  HA           43 ARG  HG+         6.00    (#   1842:21  Unique         2.39, 3.49 A)
 &rst
  ixpk= 1842, nxpk= 21, iat= 520,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   42 PRO  HA           43 ARG  HG+         6.00    (#   1843:21  Unique         3.46, 4.16 A)
 &rst
  ixpk= 1843, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   43 ARG  HE           43 ARG  HG+         6.00    (#   1844:21  Unique         2.11, 3.17 A)
 &rst
  ixpk= 1844, nxpk= 21, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   43 ARG  HE           43 ARG  HG-         6.00    (#   1845:21  Unique         2.11, 3.17 A)
 &rst
  ixpk= 1845, nxpk= 21, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   20 ASP  HB+          19 VAL  MGX         6.00    (#   1847:21  Unique         4.58, 6.06 A)
 &rst
  ixpk= 1847, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 290, 291,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#    9 ILE  HB           19 VAL  MGY         6.00    (#   1848:21  Unique         5.25, 7.55 A)
 &rst
  ixpk= 1848, nxpk= 21, iat= 116,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   25 GLN  HB-          20 ASP  HA          6.00    (#   1851:21  Unique         2.89, 3.76 A)
 &rst
  ixpk= 1851, nxpk= 21, iat=  -1, 288, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 355, 356,
 &end
#
#   25 GLN  HG-          20 ASP  HB-         6.00    (#   1852:21  Unique         2.36, 3.88 A)
 &rst
  ixpk= 1852, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359,
 igr2= 290, 291,
 &end
#
#    0 AMB  21-2:1853    20 ASP  HB-         6.00    (#   1853:21  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 135, 136, 135, 136, 355, 356,
 igr2= 290, 291,
 &end
#
#    0 AMB  21-2:1854     0 AMB  21-1:1854   6.00    (#   1854:21  Double Ambig)
 &rst
  ixpk= 1854, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 135, 136, 135, 136, 355, 356,
 igr2= 290, 291, 290, 291, 290, 291,
 &end
#
#   25 GLN  HG-          20 ASP  HB+         6.00    (#   1855:21  Unique         2.36, 3.88 A)
 &rst
  ixpk= 1855, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359,
 igr2= 290, 291,
 &end
#
#   19 VAL  MGX          20 ASP  HB+         6.00    (#   1856:21  Unique         4.58, 6.06 A)
 &rst
  ixpk= 1856, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 290, 291,
 &end
#
#   19 VAL  MGX          20 ASP  HB-         6.00    (#   1857:21  Unique         4.58, 6.06 A)
 &rst
  ixpk= 1857, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 290, 291,
 &end
#
#   19 VAL  MGY          20 ASP  HB-         6.00    (#   1858:21  Unique         4.58, 6.06 A)
 &rst
  ixpk= 1858, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 290, 291,
 &end
#
#   19 VAL  MGY          20 ASP  HB+         6.00    (#   1859:21  Unique         4.58, 6.06 A)
 &rst
  ixpk= 1859, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 290, 291,
 &end
#
#    7 GLY  HA+          21 VAL  HA          6.00    (#   1860:21  Unique         3.41, 3.86 A)
 &rst
  ixpk= 1860, nxpk= 21, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#   21 VAL  MGY          21 VAL  HB          2.80    (#   1861:21  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1861, nxpk= 21, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  MGX          21 VAL  HB          3.50    (#   1862:21  Unique         2.24, 2.63 A)
 &rst
  ixpk= 1862, nxpk= 21, iat=  -1, 302, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   26 ARG  HB+          21 VAL  MGX         6.00    (#   1863:21  Unique         2.79, 5.28 A)
 &rst
  ixpk= 1863, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 372, 373,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   19 VAL  MGX          21 VAL  MGX         3.50    (#   1864:21  Unique         2.31, 5.88 A)
 &rst
  ixpk= 1864, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HA           22 CYS  HB+         6.00    (#   1866:21  Unique         4.56, 5.01 A)
 &rst
  ixpk= 1866, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   21 VAL  HA           22 CYS  HB-         6.00    (#   1867:21  Unique         4.56, 5.01 A)
 &rst
  ixpk= 1867, nxpk= 21, iat= 300,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   24 ILE  HG1-         23 GLY  HA+         6.00    (#   1868:21  Unique         5.10, 5.79 A)
 &rst
  ixpk= 1868, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 342, 343,
 igr2= 327, 328,
 &end
#
#   24 ILE  HG1-         23 GLY  HA-         6.00    (#   1869:21  Unique         5.10, 5.79 A)
 &rst
  ixpk= 1869, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 342, 343,
 igr2= 327, 328,
 &end
#
#   24 ILE  MG2          23 GLY  HA-         6.00    (#   1870:21  Unique         5.01, 6.18 A)
 &rst
  ixpk= 1870, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 338, 339, 340,
 igr2= 327, 328,
 &end
#
#   26 ARG  HD-          24 ILE  HA          6.00    (#   1871:21  Unique         5.39, 6.08 A)
 &rst
  ixpk= 1871, nxpk= 21, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   25 GLN  HG+          24 ILE  HA          6.00    (#   1872:21  Unique         5.04, 5.91 A)
 &rst
  ixpk= 1872, nxpk= 21, iat=  -1, 334, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 358, 359,
 &end
#
#   25 GLN  HN           24 ILE  HB          6.00    (#   1873:21  Unique         4.25, 4.27 A)
 &rst
  ixpk= 1873, nxpk= 21, iat= 351, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLN  HN           24 ILE  MD1         6.00    (#   1874:21  Unique         1.94, 2.52 A)
 &rst
  ixpk= 1874, nxpk= 21, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 345, 346, 347,
 &end
#
#   24 ILE  HG1+         24 ILE  MD1         4.50    (#   1875:21  Unique         2.26, 2.62 A)
 &rst
  ixpk= 1875, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 342, 343,
 igr2= 345, 346, 347,
 &end
#
#   24 ILE  HG1+         24 ILE  MG2         4.50    (#   1876:21  Unique         2.49, 3.47 A)
 &rst
  ixpk= 1876, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 342, 343,
 igr2= 338, 339, 340,
 &end
#
#   24 ILE  HG1-         24 ILE  MG2         4.50    (#   1877:21  Unique         2.49, 3.47 A)
 &rst
  ixpk= 1877, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 342, 343,
 igr2= 338, 339, 340,
 &end
#
#    0 AMB  21-2:1878    25 GLN  HB-         6.00    (#   1878:21  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 258, 259, 255, 256,
 igr2= 355, 356,
 &end
#
#   43 ARG  HA           43 ARG  HB+         6.00    (#   1879:21  Unique         2.33, 2.71 A)
 &rst
  ixpk= 1879, nxpk= 21, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 612, 613,
 &end
#
#   24 ILE  HA           25 GLN  HB-         6.00    (#   1880:21  Unique         4.29, 4.84 A)
 &rst
  ixpk= 1880, nxpk= 21, iat= 334,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 355, 356,
 &end
#
#   25 GLN  HG+          25 GLN  HB-         4.50    (#   1881:21  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1881, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 358, 359,
 igr2= 355, 356,
 &end
#
#   26 ARG  HB-          26 ARG  HA          3.50    (#   1882:21  Unique         2.47, 2.75 A)
 &rst
  ixpk= 1882, nxpk= 21, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 372, 373,
 &end
#
#   26 ARG  HD+          26 ARG  HA          4.50    (#   1883:21  Unique         1.93, 2.74 A)
 &rst
  ixpk= 1883, nxpk= 21, iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 378, 379,
 &end
#
#   27 ASP  HN           26 ARG  HA          4.50    (#   1884:21  Unique         2.34, 2.48 A)
 &rst
  ixpk= 1884, nxpk= 21, iat= 392, 370, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   26 ARG  HN           26 ARG  HA          6.00    (#   1885:21  Unique         2.89, 2.92 A)
 &rst
  ixpk= 1885, nxpk= 21, iat= 368, 370, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    3 ILE  MD1           0 AMB  21-1:1886   6.00    (#   1886:21  Single Ambig)
 &rst
  ixpk= 1886, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  45,  46,  47,
 igr2= 375, 376, 375, 376,
 &end
#
#   20 ASP  HA            0 AMB  21-1:1887   6.00    (#   1887:21  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 21, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 375, 376, 375, 376,
 &end
#
#   55 ALA  HN           54 PHE  HB+         6.00    (#   1888:21  Unique         1.91, 2.50 A)
 &rst
  ixpk= 1888, nxpk= 21, iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 791, 792,
 &end
#
#   54 PHE  HD           54 PHE  HB-         4.50    (#   1889:21  Unique         2.33, 3.03 A)
 &rst
  ixpk= 1889, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 795, 803,
 igr2= 791, 792,
 &end
#
#   18 LYS  HA           27 ASP  HA          4.50    (#   1892:21  Unique         2.36, 2.47 A)
 &rst
  ixpk= 1892, nxpk= 21, iat= 250, 394, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  21-2:1893     0 AMB  21-1:1893   6.00    (#   1893:21  Double Ambig)
 &rst
  ixpk= 1893, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 396, 397, 396, 397,
 &end
#
#    0 AMB  21-2:1894    27 ASP  HB-         6.00    (#   1894:21  Single Ambig)
 &rst
  ixpk= 1894, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 396, 397,
 &end
#
#   30 LEU  MDY          28 VAL  HB          6.00    (#   1895:21  Unique         3.02, 6.34 A)
 &rst
  ixpk= 1895, nxpk= 21, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   50 VAL  MGY          28 VAL  HB          6.00    (#   1896:21  Unique         3.27, 5.77 A)
 &rst
  ixpk= 1896, nxpk= 21, iat=  -1, 408, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   30 LEU  HN           29 ASP  HB-         6.00    (#   1898:21  Unique         2.66, 3.67 A)
 &rst
  ixpk= 1898, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#   30 LEU  HN           29 ASP  HB+         6.00    (#   1899:21  Unique         2.66, 3.67 A)
 &rst
  ixpk= 1899, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 424, 425,
 &end
#
#    0 AMB  21-2:1900     0 AMB  21-1:1900   6.00    (#   1900:21  Double Ambig)
 &rst
  ixpk= 1900, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 424, 425, 424, 425,
 &end
#
#    0 AMB  21-2:1901    29 ASP  HB-         6.00    (#   1901:21  Single Ambig)
 &rst
  ixpk= 1901, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 424, 425,
 &end
#
#   10 ARG  HD+          20 ASP  HB-         6.00    (#   1904:21  Unique         4.63, 5.67 A)
 &rst
  ixpk= 1904, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 290, 291,
 &end
#
#   33 VAL  MGX          30 LEU  HA          4.50    (#   1905:21  Unique         2.03, 4.35 A)
 &rst
  ixpk= 1905, nxpk= 21, iat=  -1, 434, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   30 LEU  HN           30 LEU  HB-         6.00    (#   1906:21  Unique         2.86, 3.41 A)
 &rst
  ixpk= 1906, nxpk= 21, iat= 432,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 436, 437,
 &end
#
#   30 LEU  MDX          30 LEU  HG          3.50    (#   1907:21  Unique         2.21, 2.63 A)
 &rst
  ixpk= 1907, nxpk= 21, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   17 ALA  MB           30 LEU  HG          4.50    (#   1908:21  Unique         2.89, 3.84 A)
 &rst
  ixpk= 1908, nxpk= 21, iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 242, 243, 244,
 &end
#
#   33 VAL  MGX          30 LEU  MDY         4.50    (#   1909:21  Unique         2.60, 6.19 A)
 &rst
  ixpk= 1909, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 490, 491, 492, 494, 495, 496,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:1910    30 LEU  MDY         3.50    (#   1910:21  Single Ambig)
 &rst
  ixpk= 1910, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#    0 AMB  21-2:1911    19 VAL  MGX         4.50    (#   1911:21  Single Ambig)
 &rst
  ixpk= 1911, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.18, r4= 9.68,
 igr1= 737, 738, 739, 741, 742, 743, 304, 305, 306, 308,
       309, 310,
 igr2= 276, 277, 278, 280, 281, 282,
 &end
#
#   15 ASN  HB-          30 LEU  MDY         6.00    (#   1913:21  Unique         5.15, 7.39 A)
 &rst
  ixpk= 1913, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 211, 212,
 igr2= 441, 442, 443, 445, 446, 447,
 &end
#
#   32 LEU  MDY          31 THR  HA          6.00    (#   1914:21  Unique         4.66, 6.75 A)
 &rst
  ixpk= 1914, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   30 LEU  HB+          31 THR  HA          6.00    (#   1915:21  Unique         4.43, 4.88 A)
 &rst
  ixpk= 1915, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 436, 437,
 &end
#
#   15 ASN  HD2-         31 THR  HA          6.00    (#   1916:21  Unique         2.74, 3.98 A)
 &rst
  ixpk= 1916, nxpk= 21, iat=  -1, 453, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 216, 217,
 &end
#
#   32 LEU  MDY          31 THR  HB          6.00    (#   1917:21  Unique         3.01, 5.77 A)
 &rst
  ixpk= 1917, nxpk= 21, iat=  -1, 455, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   15 ASN  HB-          31 THR  MG2         6.00    (#   1919:21  Unique         2.10, 3.48 A)
 &rst
  ixpk= 1919, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 211, 212,
 igr2= 457, 458, 459,
 &end
#
#   32 LEU  HG           32 LEU  HA          6.00    (#   1920:21  Unique         3.37, 3.39 A)
 &rst
  ixpk= 1920, nxpk= 21, iat= 472, 467, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGY          32 LEU  HA          6.00    (#   1921:21  Unique         4.88, 5.94 A)
 &rst
  ixpk= 1921, nxpk= 21, iat=  -1, 467, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   32 LEU  HG           32 LEU  HB+         4.50    (#   1922:21  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1922, nxpk= 21, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 469, 470,
 &end
#
#   32 LEU  HG           32 LEU  HB-         3.50    (#   1923:21  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1923, nxpk= 21, iat= 472,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 469, 470,
 &end
#
#   31 THR  MG2          32 LEU  HG          6.00    (#   1925:21  Unique         5.02, 6.06 A)
 &rst
  ixpk= 1925, nxpk= 21, iat=  -1, 472, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 457, 458, 459,
 &end
#
#    0 AMB  21-2:1926     0 AMB  21-1:1926   6.00    (#   1926:21  Double Ambig)
 &rst
  ixpk= 1926, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 469, 470,1309,1310,
 igr2= 474, 475, 476, 478, 479, 480,1233,1234,1235,1237,
      1238,1239,
 &end
#
#   19 VAL  MGX          50 VAL  MGY         4.50    (#   1927:21  Unique         1.98, 5.46 A)
 &rst
  ixpk= 1927, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.18, r4= 8.68,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   33 VAL  MGY          33 VAL  HA          2.80    (#   1929:21  Unique         2.09, 3.36 A)
 &rst
  ixpk= 1929, nxpk= 21, iat=  -1, 486, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   33 VAL  HB           33 VAL  HA          3.50    (#   1930:21  Unique         2.57, 2.63 A)
 &rst
  ixpk= 1930, nxpk= 21, iat= 488, 486, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  HN           33 VAL  HA          6.00    (#   1932:21  Unique         5.61, 6.27 A)
 &rst
  ixpk= 1932, nxpk= 21, iat= 845, 486, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1933     0 AMB  21-1:1933   6.00    (#   1933:21  Double Ambig)
 &rst
  ixpk= 1933, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.10, r4=11.60,
 igr1= 986, 987, 988, 811, 812, 813, 716, 717,
 igr2=  81,  82, 488,  81,  82,
 &end
#
#   43 ARG  HE           33 VAL  HB          6.00    (#   1934:21  Unique         2.94, 4.53 A)
 &rst
  ixpk= 1934, nxpk= 21, iat= 621, 488, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HB-          33 VAL  MGY         6.00    (#   1936:21  Unique         1.98, 4.73 A)
 &rst
  ixpk= 1936, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 436, 437,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   43 ARG  HE           33 VAL  MGX         6.00    (#   1937:21  Unique         2.53, 5.86 A)
 &rst
  ixpk= 1937, nxpk= 21, iat= 621,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   35 SER  HA            0 AMB  21-1:1938   6.00    (#   1938:21  Single Ambig)
 &rst
  ixpk= 1938, nxpk= 21, iat= 509,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
 &end
#
#    0 AMB  21-2:1939     0 AMB  21-1:1939   6.00    (#   1939:21  Double Ambig)
 &rst
  ixpk= 1939, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 618, 619, 618, 619,
 igr2= 490, 491, 492, 494, 495, 496, 175, 176, 177,
 &end
#
#   31 THR  HN           33 VAL  MGX         6.00    (#   1940:21  Unique         4.11, 6.31 A)
 &rst
  ixpk= 1940, nxpk= 21, iat= 451,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 490, 491, 492, 494, 495, 496,
 &end
#
#   30 LEU  MDX          35 SER  HA          2.80    (#   1942:21  Unique         1.93, 3.99 A)
 &rst
  ixpk= 1942, nxpk= 21, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 3.77, r4= 4.27,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  MDY          35 SER  HA          6.00    (#   1943:21  Unique         1.93, 3.99 A)
 &rst
  ixpk= 1943, nxpk= 21, iat=  -1, 509, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   36 CYS  HN           35 SER  HA          4.50    (#   1944:21  Unique         2.70, 3.10 A)
 &rst
  ixpk= 1944, nxpk= 21, iat= 518, 509, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   40 GLY  HN           37 ASP  HA          6.00    (#   1947:21  Unique         4.19, 4.28 A)
 &rst
  ixpk= 1947, nxpk= 21, iat= 570, 531, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:1948    37 ASP  HB-         6.00    (#   1948:21  Single Ambig)
 &rst
  ixpk= 1948, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 572, 573, 610,
 igr2= 533, 534,
 &end
#
#    0 AMB  21-2:1949     0 AMB  21-1:1949   6.00    (#   1949:21  Double Ambig)
 &rst
  ixpk= 1949, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 572, 573, 610,
 igr2= 533, 534, 533, 534,
 &end
#
#    0 AMB  21-2:1950     0 AMB  21-1:1950   6.00    (#   1950:21  Double Ambig)
 &rst
  ixpk= 1950, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 581, 582, 581, 582,
 igr2= 533, 534, 533, 534,
 &end
#
#   43 ARG  HG+          37 ASP  HB+         6.00    (#   1951:21  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1951, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 533, 534,
 &end
#
#   43 ARG  HG+          37 ASP  HB-         6.00    (#   1952:21  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1952, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 533, 534,
 &end
#
#   43 ARG  HG-          37 ASP  HB+         6.00    (#   1954:21  Unique         2.89, 5.08 A)
 &rst
  ixpk= 1954, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 533, 534,
 &end
#
#    0 AMB  21-2:1955    37 ASP  HB-         6.00    (#   1955:21  Single Ambig)
 &rst
  ixpk= 1955, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 851, 852, 853, 855, 856, 857, 612, 613,
 igr2= 533, 534,
 &end
#
#    0 AMB  21-2:1956    37 ASP  HB-         6.00    (#   1956:21  Single Ambig)
 &rst
  ixpk= 1956, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 581, 582, 581, 582,
 igr2= 533, 534,
 &end
#
#   46 GLN  HE2-         37 ASP  HB+         6.00    (#   1957:21  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1957, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 667, 668,
 igr2= 533, 534,
 &end
#
#   46 GLN  HE2+         37 ASP  HB+         6.00    (#   1958:21  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1958, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 667, 668,
 igr2= 533, 534,
 &end
#
#   46 GLN  HE2-         37 ASP  HB-         6.00    (#   1959:21  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1959, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 667, 668,
 igr2= 533, 534,
 &end
#
#   46 GLN  HE2+         37 ASP  HB-         6.00    (#   1960:21  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1960, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 667, 668,
 igr2= 533, 534,
 &end
#
#   39 ASN  HN           37 ASP  HB+         6.00    (#   1961:21  Unique         2.48, 3.27 A)
 &rst
  ixpk= 1961, nxpk= 21, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 533, 534,
 &end
#
#   62 ALA  MB           63 GLU  HA          6.00    (#   1965:21  Unique         4.12, 4.71 A)
 &rst
  ixpk= 1965, nxpk= 21, iat=  -1, 921, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 913, 914, 915,
 &end
#
#    0 AMB  21-2:1966     0 AMB  21-1:1966   4.50    (#   1966:21  Double Ambig)
 &rst
  ixpk= 1966, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.58, r4= 9.08,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 598, 599, 598, 599,
 &end
#
#    0 AMB  21-2:1967    42 PRO  HG-         6.00    (#   1967:21  Single Ambig)
 &rst
  ixpk= 1967, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 598, 599,
 &end
#
#    0 AMB  21-2:1968     0 AMB  21-1:1968   2.80    (#   1968:21  Double Ambig)
 &rst
  ixpk= 1968, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.09, r4= 5.59,
 igr1= 545, 546, 545, 546, 545, 546,
 igr2= 548, 549, 548, 549, 548, 549,
 &end
#
#   39 ASN  HN            0 AMB  21-1:1970   6.00    (#   1970:21  Single Ambig)
 &rst
  ixpk= 1970, nxpk= 21, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2= 548, 549, 548, 549,
 &end
#
#   39 ASN  HB-          41 GLN  HG+         6.00    (#   1972:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 1972, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 584, 585,
 &end
#
#   39 ASN  HB-          41 GLN  HG-         6.00    (#   1973:21  Unique         2.38, 4.03 A)
 &rst
  ixpk= 1973, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 584, 585,
 &end
#
#   44 VAL  HN           42 PRO  HB+         6.00    (#   1974:21  Unique         2.26, 3.12 A)
 &rst
  ixpk= 1974, nxpk= 21, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 601, 602,
 &end
#
#   44 VAL  HN           42 PRO  HB-         6.00    (#   1975:21  Unique         2.26, 3.12 A)
 &rst
  ixpk= 1975, nxpk= 21, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 601, 602,
 &end
#
#    0 AMB  21-2:1976     0 AMB  21-1:1976   6.00    (#   1976:21  Double Ambig)
 &rst
  ixpk= 1976, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 595, 596, 595, 596,
 &end
#
#    0 AMB  21-2:1977    42 PRO  HD-         6.00    (#   1977:21  Single Ambig)
 &rst
  ixpk= 1977, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 igr2= 595, 596,
 &end
#
#   75 PHE  HB-          72 GLN  HA          6.00    (#   1978:21  Unique         2.30, 3.44 A)
 &rst
  ixpk= 1978, nxpk= 21, iat=  -1,1056, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1106,1107,
 &end
#
#    0 AMB  21-2:1979    43 ARG  HA          4.50    (#   1979:21  Single Ambig)
 &rst
  ixpk= 1979, nxpk= 21, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616, 612, 613,
 &end
#
#   43 ARG  HG+          43 ARG  HA          4.50    (#   1980:21  Unique         2.31, 3.06 A)
 &rst
  ixpk= 1980, nxpk= 21, iat=  -1, 610, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 615, 616,
 &end
#
#   43 ARG  HG+          43 ARG  HB+         6.00    (#   1981:21  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1981, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 612, 613,
 &end
#
#   43 ARG  HG+          43 ARG  HB-         4.50    (#   1982:21  Unique         2.21, 2.70 A)
 &rst
  ixpk= 1982, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616,
 igr2= 612, 613,
 &end
#
#   37 ASP  HN           43 ARG  HG+         6.00    (#   1983:21  Unique         3.09, 3.78 A)
 &rst
  ixpk= 1983, nxpk= 21, iat= 529,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 615, 616,
 &end
#
#   33 VAL  HB           43 ARG  HD-         6.00    (#   1984:21  Unique         3.92, 4.89 A)
 &rst
  ixpk= 1984, nxpk= 21, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 618, 619,
 &end
#
#   33 VAL  HB           43 ARG  HD+         6.00    (#   1985:21  Unique         3.92, 4.89 A)
 &rst
  ixpk= 1985, nxpk= 21, iat= 488,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 618, 619,
 &end
#
#   43 ARG  HA           44 VAL  HA          6.00    (#   1986:21  Unique         4.93, 4.94 A)
 &rst
  ixpk= 1986, nxpk= 21, iat= 610, 634, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  MGX          21 VAL  MGY         3.50    (#   1988:21  Unique         2.31, 5.88 A)
 &rst
  ixpk= 1988, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 276, 277, 278, 280, 281, 282,
 igr2= 304, 305, 306, 308, 309, 310,
 &end
#
#    8 GLN  HB+          10 ARG  HA          6.00    (#   1989:21  Unique         4.57, 5.37 A)
 &rst
  ixpk= 1989, nxpk= 21, iat=  -1, 133, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#   43 ARG  HA            0 AMB  21-1:1990   4.50    (#   1990:21  Single Ambig)
 &rst
  ixpk= 1990, nxpk= 21, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr2= 662, 663, 662, 663,
 &end
#
#   25 GLN  HB-          25 GLN  HG+         6.00    (#   1991:21  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1991, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 355, 356,
 igr2= 358, 359,
 &end
#
#   18 LYS  HB-          25 GLN  HG+         6.00    (#   1993:21  Unique         2.11, 4.43 A)
 &rst
  ixpk= 1993, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 252, 253,
 igr2= 358, 359,
 &end
#
#   18 LYS  HG+          25 GLN  HG+         6.00    (#   1994:21  Unique         1.92, 4.38 A)
 &rst
  ixpk= 1994, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 255, 256,
 igr2= 358, 359,
 &end
#
#   58 VAL  MGY           0 AMB  21-1:1995   6.00    (#   1995:21  Single Ambig)
 &rst
  ixpk= 1995, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 662, 663, 662, 663,
 &end
#
#    0 AMB  21-2:1997     0 AMB  21-1:1997   6.00    (#   1997:21  Double Ambig)
 &rst
  ixpk= 1997, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 345, 346, 347, 338, 339, 340,
 igr2= 358, 359, 358, 359,
 &end
#
#    8 GLN  HB-          47 TRP  HA          6.00    (#   1998:21  Unique         4.78, 5.17 A)
 &rst
  ixpk= 1998, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#    0 AMB  21-2:1999    47 TRP  HA          6.00    (#   1999:21  Single Ambig)
 &rst
  ixpk= 1999, nxpk= 21, iat=  -1, 674, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 116, 901, 902, 612, 613,
 &end
#
#    8 GLN  HA           47 TRP  HA          3.50    (#   2000:21  Unique         2.37, 2.46 A)
 &rst
  ixpk= 2000, nxpk= 21, iat=  97, 674, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    6 PRO  HB+          47 TRP  HB+         6.00    (#   2002:21  Unique         3.16, 4.47 A)
 &rst
  ixpk= 2002, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  81,  82,
 igr2= 676, 677,
 &end
#
#    6 PRO  HB+          47 TRP  HB-         6.00    (#   2003:21  Unique         3.16, 4.47 A)
 &rst
  ixpk= 2003, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  81,  82,
 igr2= 676, 677,
 &end
#
#   59 ILE  HN           47 TRP  HB+         6.00    (#   2006:21  Unique         4.10, 4.67 A)
 &rst
  ixpk= 2006, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#   59 ILE  HN           47 TRP  HB-         6.00    (#   2007:21  Unique         4.10, 4.67 A)
 &rst
  ixpk= 2007, nxpk= 21, iat= 861,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 676, 677,
 &end
#
#    0 AMB  21-2:2008    48 VAL  HA          6.00    (#   2008:21  Single Ambig)
 &rst
  ixpk= 2008, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 845, 880,
 &end
#
#    6 PRO  HB+          48 VAL  HA          6.00    (#   2009:21  Unique         5.02, 5.44 A)
 &rst
  ixpk= 2009, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#   49 LEU  HB+          48 VAL  HA          6.00    (#   2010:21  Unique         4.38, 5.18 A)
 &rst
  ixpk= 2010, nxpk= 21, iat=  -1, 698, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#   57 SER  HN           48 VAL  HB          6.00    (#   2011:21  Unique         4.53, 5.10 A)
 &rst
  ixpk= 2011, nxpk= 21, iat= 834, 700, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:2013    48 VAL  HB          6.00    (#   2013:21  Single Ambig)
 &rst
  ixpk= 2013, nxpk= 21, iat=  -1, 700, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
       281, 282,
 &end
#
#    0 AMB  21-2:2014    48 VAL  MGY         6.00    (#   2014:21  Single Ambig)
 &rst
  ixpk= 2014, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 733, 819,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  21-2:2015     0 AMB  21-1:2015   6.00    (#   2015:21  Double Ambig)
 &rst
  ixpk= 2015, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1305, 861,
 igr2=1233,1234,1235,1237,1238,1239, 702, 703, 704, 706,
       707, 708,
 &end
#
#   49 LEU  HN           48 VAL  MGX         6.00    (#   2016:21  Unique         1.96, 3.98 A)
 &rst
  ixpk= 2016, nxpk= 21, iat= 712,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#    9 ILE  HA           48 VAL  MGX         6.00    (#   2018:21  Unique         4.19, 6.27 A)
 &rst
  ixpk= 2018, nxpk= 21, iat= 114,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 702, 703, 704, 706, 707, 708,
 &end
#
#   50 VAL  HN           49 LEU  HA          3.50    (#   2019:21  Unique         2.21, 2.31 A)
 &rst
  ixpk= 2019, nxpk= 21, iat= 731, 714, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   49 LEU  HN           49 LEU  HA          6.00    (#   2020:21  Unique         2.82, 2.83 A)
 &rst
  ixpk= 2020, nxpk= 21, iat= 712, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HA           49 LEU  HA          4.50    (#   2021:21  Unique         1.96, 2.05 A)
 &rst
  ixpk= 2021, nxpk= 21, iat=  84, 714, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   56 MET  HB-          49 LEU  HA          6.00    (#   2022:21  Unique         4.44, 5.03 A)
 &rst
  ixpk= 2022, nxpk= 21, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 821, 822,
 &end
#
#   49 LEU  HB-          49 LEU  HA          4.50    (#   2023:21  Unique         2.39, 2.73 A)
 &rst
  ixpk= 2023, nxpk= 21, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
#   50 VAL  MGY          49 LEU  HA          4.50    (#   2024:21  Unique         3.44, 5.36 A)
 &rst
  ixpk= 2024, nxpk= 21, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   49 LEU  MDY          49 LEU  HA          4.50    (#   2025:21  Unique         2.00, 3.84 A)
 &rst
  ixpk= 2025, nxpk= 21, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HG           49 LEU  HA          6.00    (#   2026:21  Unique         2.62, 3.12 A)
 &rst
  ixpk= 2026, nxpk= 21, iat= 719, 714, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HB+          49 LEU  HA          4.50    (#   2027:21  Unique         2.39, 2.73 A)
 &rst
  ixpk= 2027, nxpk= 21, iat=  -1, 714, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
#   57 SER  HN           49 LEU  HB-         6.00    (#   2030:21  Unique         2.54, 3.90 A)
 &rst
  ixpk= 2030, nxpk= 21, iat= 834,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 716, 717,
 &end
#
#   57 SER  HB-          49 LEU  HG          6.00    (#   2031:21  Unique         4.04, 5.08 A)
 &rst
  ixpk= 2031, nxpk= 21, iat=  -1, 719, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 838, 839,
 &end
#
#   57 SER  HA           49 LEU  MDX         6.00    (#   2032:21  Unique         4.13, 7.06 A)
 &rst
  ixpk= 2032, nxpk= 21, iat= 836,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   57 SER  HB+          49 LEU  MDX         6.00    (#   2035:21  Unique         2.18, 5.29 A)
 &rst
  ixpk= 2035, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 838, 839,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   67 THR  HA           49 LEU  MDX         6.00    (#   2036:21  Unique         5.61, 7.84 A)
 &rst
  ixpk= 2036, nxpk= 21, iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HB+          49 LEU  MDX         6.00    (#   2037:21  Unique         1.99, 3.31 A)
 &rst
  ixpk= 2037, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 716, 717,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HB-          49 LEU  MDX         6.00    (#   2038:21  Unique         1.99, 3.31 A)
 &rst
  ixpk= 2038, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 716, 717,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HA           49 LEU  MDY         4.50    (#   2039:21  Unique         2.00, 3.84 A)
 &rst
  ixpk= 2039, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#    6 PRO  HD+          49 LEU  MDY         6.00    (#   2040:21  Unique         2.40, 5.85 A)
 &rst
  ixpk= 2040, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  75,  76,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#    6 PRO  HG-          49 LEU  MDY         4.50    (#   2041:21  Unique         2.77, 5.98 A)
 &rst
  ixpk= 2041, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  78,  79,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   49 LEU  HG           49 LEU  MDY         4.50    (#   2042:21  Unique         2.21, 2.63 A)
 &rst
  ixpk= 2042, nxpk= 21, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#   50 VAL  MGX          51 HIS  HA          6.00    (#   2043:21  Unique         3.61, 5.64 A)
 &rst
  ixpk= 2043, nxpk= 21, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  MGY          51 HIS  HA          6.00    (#   2044:21  Unique         3.61, 5.64 A)
 &rst
  ixpk= 2044, nxpk= 21, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   51 HIS  HB+          51 HIS  HA          4.50    (#   2045:21  Unique         2.62, 2.82 A)
 &rst
  ixpk= 2045, nxpk= 21, iat=  -1, 749, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 751, 752,
 &end
#
#   51 HIS  HN           51 HIS  HA          6.00    (#   2046:21  Unique         2.93, 2.95 A)
 &rst
  ixpk= 2046, nxpk= 21, iat= 747, 749, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   56 MET  HG+          51 HIS  HB+         6.00    (#   2047:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2047, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 824, 825,
 igr2= 751, 752,
 &end
#
#   56 MET  HG+          51 HIS  HB-         6.00    (#   2048:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2048, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 824, 825,
 igr2= 751, 752,
 &end
#
#   56 MET  HB-          51 HIS  HB+         6.00    (#   2049:21  Unique         2.72, 4.75 A)
 &rst
  ixpk= 2049, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 821, 822,
 igr2= 751, 752,
 &end
#
#   56 MET  HB-          51 HIS  HB-         6.00    (#   2050:21  Unique         2.72, 4.75 A)
 &rst
  ixpk= 2050, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 821, 822,
 igr2= 751, 752,
 &end
#
#   53 GLY  HA-          52 VAL  HA          6.00    (#   2052:21  Unique         4.55, 4.76 A)
 &rst
  ixpk= 2052, nxpk= 21, iat=  -1, 766, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 782, 783,
 &end
#
#   54 PHE  HD           52 VAL  HB          6.00    (#   2053:21  Unique         3.79, 6.35 A)
 &rst
  ixpk= 2053, nxpk= 21, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 803,
 &end
#
#   53 GLY  HA+          52 VAL  HB          6.00    (#   2054:21  Unique         4.05, 4.63 A)
 &rst
  ixpk= 2054, nxpk= 21, iat=  -1, 768, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 782, 783,
 &end
#
#   52 VAL  HA           52 VAL  MGX         4.50    (#   2056:21  Unique         2.17, 3.21 A)
 &rst
  ixpk= 2056, nxpk= 21, iat= 766,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  HB           52 VAL  MGX         4.50    (#   2057:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2057, nxpk= 21, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#   54 PHE  HD           52 VAL  MGX         6.00    (#   2058:21  Unique         2.56, 7.70 A)
 &rst
  ixpk= 2058, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 795, 803,
 igr2= 770, 771, 772, 774, 775, 776,
 &end
#
#    0 AMB  21-2:2061     0 AMB  21-1:2061   6.00    (#   2061:21  Double Ambig)
 &rst
  ixpk= 2061, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 igr2= 782, 783, 782, 783,
 &end
#
#   50 VAL  MGX          53 GLY  HA+         6.00    (#   2063:21  Unique         5.36, 8.80 A)
 &rst
  ixpk= 2063, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 737, 738, 739, 741, 742, 743,
 igr2= 782, 783,
 &end
#
#    0 AMB  21-2:2064     0 AMB  21-1:2064   6.00    (#   2064:21  Double Ambig)
 &rst
  ixpk= 2064, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 768, 424, 425,
 igr2= 782, 783, 782, 783,
 &end
#
#   54 PHE  HN           53 GLY  HA+         6.00    (#   2067:21  Unique         2.76, 3.23 A)
 &rst
  ixpk= 2067, nxpk= 21, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 782, 783,
 &end
#
#    0 AMB  21-2:2068     0 AMB  21-1:2068   6.00    (#   2068:21  Double Ambig)
 &rst
  ixpk= 2068, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 787, 529,
 igr2= 782, 783, 572, 573,
 &end
#
#   64 ALA  HN           63 GLU  HB+         6.00    (#   2069:21  Unique         2.42, 3.00 A)
 &rst
  ixpk= 2069, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 923, 924,
 &end
#
#   64 ALA  HN           63 GLU  HB-         6.00    (#   2070:21  Unique         2.42, 3.00 A)
 &rst
  ixpk= 2070, nxpk= 21, iat= 934,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 923, 924,
 &end
#
#   56 MET  HA           56 MET  HB+         4.50    (#   2071:21  Unique         2.69, 2.84 A)
 &rst
  ixpk= 2071, nxpk= 21, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 821, 822,
 &end
#
#   56 MET  HA           56 MET  HB-         6.00    (#   2072:21  Unique         2.69, 2.84 A)
 &rst
  ixpk= 2072, nxpk= 21, iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 821, 822,
 &end
#
#   51 HIS  HB-          56 MET  HG+         6.00    (#   2073:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2073, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 751, 752,
 igr2= 824, 825,
 &end
#
#   56 MET  HB-          56 MET  HG-         6.00    (#   2074:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 2074, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 821, 822,
 igr2= 824, 825,
 &end
#
#   56 MET  HB-          56 MET  HG+         4.50    (#   2075:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 2075, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 821, 822,
 igr2= 824, 825,
 &end
#
#   56 MET  HB+          56 MET  HG-         6.00    (#   2076:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 2076, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 821, 822,
 igr2= 824, 825,
 &end
#
#   56 MET  HB+          56 MET  HG+         4.50    (#   2077:21  Unique         2.21, 2.65 A)
 &rst
  ixpk= 2077, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 821, 822,
 igr2= 824, 825,
 &end
#
#   51 HIS  HB-          56 MET  HG-         6.00    (#   2080:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2080, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 751, 752,
 igr2= 824, 825,
 &end
#
#   51 HIS  HB+          56 MET  HG-         6.00    (#   2081:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2081, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 751, 752,
 igr2= 824, 825,
 &end
#
#   51 HIS  HB+          56 MET  HG+         6.00    (#   2082:21  Unique         2.57, 4.26 A)
 &rst
  ixpk= 2082, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 751, 752,
 igr2= 824, 825,
 &end
#
#   56 MET  HB-          57 SER  HB-         6.00    (#   2083:21  Unique         2.98, 4.70 A)
 &rst
  ixpk= 2083, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 821, 822,
 igr2= 838, 839,
 &end
#
#   58 VAL  HB           57 SER  HB+         6.00    (#   2084:21  Unique         4.77, 5.84 A)
 &rst
  ixpk= 2084, nxpk= 21, iat= 849,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 838, 839,
 &end
#
#   49 LEU  HB+          57 SER  HB+         6.00    (#   2085:21  Unique         3.48, 5.52 A)
 &rst
  ixpk= 2085, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 716, 717,
 igr2= 838, 839,
 &end
#
#   49 LEU  HB+          57 SER  HB-         6.00    (#   2086:21  Unique         3.48, 5.52 A)
 &rst
  ixpk= 2086, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 716, 717,
 igr2= 838, 839,
 &end
#
#    0 AMB  21-2:2087     0 AMB  21-1:2087   6.00    (#   2087:21  Double Ambig)
 &rst
  ixpk= 2087, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 847, 863,
 igr2= 838, 839, 838, 839,
 &end
#
#    0 AMB  21-2:2088    57 SER  HB-         6.00    (#   2088:21  Single Ambig)
 &rst
  ixpk= 2088, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 847, 863,
 igr2= 838, 839,
 &end
#
#   49 LEU  HG           57 SER  HB+         6.00    (#   2089:21  Unique         4.04, 5.08 A)
 &rst
  ixpk= 2089, nxpk= 21, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 838, 839,
 &end
#
#   49 LEU  HG           57 SER  HB-         6.00    (#   2090:21  Unique         4.04, 5.08 A)
 &rst
  ixpk= 2090, nxpk= 21, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 838, 839,
 &end
#
#   59 ILE  HN           59 ILE  HB          6.00    (#   2091:21  Unique         3.69, 3.82 A)
 &rst
  ixpk= 2091, nxpk= 21, iat= 861, 865, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   59 ILE  MD1          59 ILE  HB          3.50    (#   2092:21  Unique         2.45, 3.15 A)
 &rst
  ixpk= 2092, nxpk= 21, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 874, 875, 876,
 &end
#
#   60 ASN  HB+          59 ILE  HB          6.00    (#   2093:21  Unique         4.84, 5.24 A)
 &rst
  ixpk= 2093, nxpk= 21, iat=  -1, 865, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 884, 885,
 &end
#
#   60 ASN  HN           59 ILE  HG1+        6.00    (#   2094:21  Unique         2.77, 3.51 A)
 &rst
  ixpk= 2094, nxpk= 21, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 871, 872,
 &end
#
#   48 VAL  HA           59 ILE  HG1-        6.00    (#   2095:21  Unique         2.34, 3.33 A)
 &rst
  ixpk= 2095, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 871, 872,
 &end
#
#   48 VAL  HA           59 ILE  HG1+        6.00    (#   2096:21  Unique         2.34, 3.33 A)
 &rst
  ixpk= 2096, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 871, 872,
 &end
#
#   49 LEU  HA           59 ILE  MD1         6.00    (#   2097:21  Unique         4.04, 5.28 A)
 &rst
  ixpk= 2097, nxpk= 21, iat= 714,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#    6 PRO  HA           59 ILE  MD1         6.00    (#   2098:21  Unique         4.03, 5.34 A)
 &rst
  ixpk= 2098, nxpk= 21, iat=  84,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#   48 VAL  HA           59 ILE  MD1         6.00    (#   2099:21  Unique         3.70, 4.72 A)
 &rst
  ixpk= 2099, nxpk= 21, iat= 698,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 874, 875, 876,
 &end
#
#    0 AMB  21-2:2100    59 ILE  MD1         2.80    (#   2100:21  Single Ambig)
 &rst
  ixpk= 2100, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.40, r4= 4.90,
 igr1= 867, 868, 869, 871, 872,
 igr2= 874, 875, 876,
 &end
#
#   62 ALA  MB           60 ASN  HB+         6.00    (#   2101:21  Unique         3.24, 4.78 A)
 &rst
  ixpk= 2101, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 884, 885,
 &end
#
#   62 ALA  MB           60 ASN  HB-         6.00    (#   2102:21  Unique         3.24, 4.78 A)
 &rst
  ixpk= 2102, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 884, 885,
 &end
#
#    0 AMB  21-2:2103    60 ASN  HB-         6.00    (#   2103:21  Single Ambig)
 &rst
  ixpk= 2103, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 901, 902, 926, 927, 923, 924, 898, 899,
 igr2= 884, 885,
 &end
#
#   65 ARG  HN           61 GLU  HA          6.00    (#   2104:21  Unique         4.07, 4.44 A)
 &rst
  ixpk= 2104, nxpk= 21, iat= 944, 896, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 ARG  HG+          62 ALA  HA          6.00    (#   2107:21  Unique         1.99, 4.56 A)
 &rst
  ixpk= 2107, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 951, 952,
 &end
#
#    0 AMB  21-2:2108    62 ALA  HA          6.00    (#   2108:21  Single Ambig)
 &rst
  ixpk= 2108, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 954, 955, 954, 955,
 &end
#
#   64 ALA  MB           62 ALA  HA          6.00    (#   2109:21  Unique         4.83, 6.08 A)
 &rst
  ixpk= 2109, nxpk= 21, iat=  -1, 911, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#    0 AMB  21-2:2110    62 ALA  MB          6.00    (#   2110:21  Single Ambig)
 &rst
  ixpk= 2110, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 926, 927, 923, 924,
 igr2= 913, 914, 915,
 &end
#
#   61 GLU  HB-          62 ALA  MB          6.00    (#   2111:21  Unique         4.39, 5.88 A)
 &rst
  ixpk= 2111, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 898, 899,
 igr2= 913, 914, 915,
 &end
#
#   66 ASP  HA           63 GLU  HA          6.00    (#   2112:21  Unique         5.40, 5.47 A)
 &rst
  ixpk= 2112, nxpk= 21, iat= 970, 921, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:2114     0 AMB  21-1:2114   6.00    (#   2114:21  Double Ambig)
 &rst
  ixpk= 2114, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 871, 872, 615, 616,
 igr2= 923, 924, 659, 660,
 &end
#
#   59 ILE  HG1-         63 GLU  HB-         6.00    (#   2115:21  Unique         2.94, 4.14 A)
 &rst
  ixpk= 2115, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 871, 872,
 igr2= 923, 924,
 &end
#
#   59 ILE  MG2          63 GLU  HG-         6.00    (#   2116:21  Unique         2.55, 4.65 A)
 &rst
  ixpk= 2116, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 867, 868, 869,
 igr2= 926, 927,
 &end
#
#   59 ILE  MG2          63 GLU  HG+         6.00    (#   2117:21  Unique         2.55, 4.65 A)
 &rst
  ixpk= 2117, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 867, 868, 869,
 igr2= 926, 927,
 &end
#
#   68 LEU  MDY          64 ALA  HA          6.00    (#   2118:21  Unique         3.47, 6.20 A)
 &rst
  ixpk= 2118, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#   59 ILE  HG1-         64 ALA  HA          6.00    (#   2119:21  Unique         4.45, 5.08 A)
 &rst
  ixpk= 2119, nxpk= 21, iat=  -1, 936, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#   68 LEU  HG           64 ALA  HA          6.00    (#   2120:21  Unique         4.10, 4.37 A)
 &rst
  ixpk= 2120, nxpk= 21, iat=1001, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HA           64 ALA  HA          6.00    (#   2122:21  Unique         4.98, 5.13 A)
 &rst
  ixpk= 2122, nxpk= 21, iat=  84, 936, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  21-2:2123    64 ALA  MB          6.00    (#   2123:21  Single Ambig)
 &rst
  ixpk= 2123, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 921, 996,
 igr2= 938, 939, 940,
 &end
#
#    6 PRO  HD+          64 ALA  MB          6.00    (#   2124:21  Unique         4.60, 5.81 A)
 &rst
  ixpk= 2124, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  75,  76,
 igr2= 938, 939, 940,
 &end
#
#   67 THR  HB           64 ALA  MB          6.00    (#   2125:21  Unique         4.60, 5.15 A)
 &rst
  ixpk= 2125, nxpk= 21, iat= 984,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 938, 939, 940,
 &end
#
#   66 ASP  HA           65 ARG  HB+         6.00    (#   2126:21  Unique         4.03, 4.68 A)
 &rst
  ixpk= 2126, nxpk= 21, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 948, 949,
 &end
#
#   66 ASP  HA           65 ARG  HB-         6.00    (#   2127:21  Unique         4.03, 4.68 A)
 &rst
  ixpk= 2127, nxpk= 21, iat= 970,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 948, 949,
 &end
#
#   62 ALA  HA           65 ARG  HG-         6.00    (#   2128:21  Unique         1.99, 4.56 A)
 &rst
  ixpk= 2128, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 951, 952,
 &end
#
#   62 ALA  HA           65 ARG  HG+         6.00    (#   2129:21  Unique         1.99, 4.56 A)
 &rst
  ixpk= 2129, nxpk= 21, iat= 911,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 951, 952,
 &end
#
#    0 AMB  21-2:2131    66 ASP  HA          6.00    (#   2131:21  Single Ambig)
 &rst
  ixpk= 2131, nxpk= 21, iat=  -1, 970, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 982, 921,
 &end
#
#   66 ASP  HB-          67 THR  HB          6.00    (#   2133:21  Unique         4.83, 5.48 A)
 &rst
  ixpk= 2133, nxpk= 21, iat=  -1, 984, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 972, 973,
 &end
#
#    0 AMB  21-2:2134     0 AMB  21-1:2134   6.00    (#   2134:21  Double Ambig)
 &rst
  ixpk= 2134, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1015, 970,
 igr2= 998, 999, 998, 999,
 &end
#
#    0 AMB  21-2:2135    68 LEU  HB-         6.00    (#   2135:21  Single Ambig)
 &rst
  ixpk= 2135, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1015, 970,
 igr2= 998, 999,
 &end
#
#    6 PRO  HD-          68 LEU  HG          6.00    (#   2136:21  Unique         2.63, 3.98 A)
 &rst
  ixpk= 2136, nxpk= 21, iat=  -1,1001, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   64 ALA  MB           68 LEU  MDX         6.00    (#   2137:21  Unique         2.41, 5.86 A)
 &rst
  ixpk= 2137, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.71, r4=10.21,
 igr1= 938, 939, 940,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  21-2:2138     0 AMB  21-1:2138   3.50    (#   2138:21  Double Ambig)
 &rst
  ixpk= 2138, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1001, 469, 470,
 igr2=1003,1004,1005,1007,1008,1009, 474, 475, 476, 478,
       479, 480,
 &end
#
#   89 GLU  HB+          84 LEU  MDX         6.00    (#   2139:21  Unique         2.51, 7.60 A)
 &rst
  ixpk= 2139, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1309,1310,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   72 GLN  HG+          69 ASP  HA          6.00    (#   2140:21  Unique         2.61, 3.71 A)
 &rst
  ixpk= 2140, nxpk= 21, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1061,1062,
 &end
#
#    0 AMB  21-2:2141    69 ASP  HA          4.50    (#   2141:21  Single Ambig)
 &rst
  ixpk= 2141, nxpk= 21, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1058,1059,1058,1059,
 &end
#
#    0 AMB  21-2:2142    69 ASP  HA          6.00    (#   2142:21  Single Ambig)
 &rst
  ixpk= 2142, nxpk= 21, iat=  -1,1015, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1029,1030,1031,1039,1040,
 &end
#
#   70 ALA  HA           69 ASP  HB+         6.00    (#   2143:21  Unique         3.91, 4.74 A)
 &rst
  ixpk= 2143, nxpk= 21, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1017,1018,
 &end
#
#   71 LEU  HN           70 ALA  HA          6.00    (#   2145:21  Unique         3.50, 3.54 A)
 &rst
  ixpk= 2145, nxpk= 21, iat=1035,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HA           70 ALA  HA          6.00    (#   2146:21  Unique         4.68, 4.83 A)
 &rst
  ixpk= 2146, nxpk= 21, iat= 982,1027, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 LEU  HB+          70 ALA  MB          6.00    (#   2147:21  Unique         3.93, 5.73 A)
 &rst
  ixpk= 2147, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1039,1040,
 igr2=1029,1030,1031,
 &end
#
#   67 THR  MG2          70 ALA  MB          6.00    (#   2148:21  Unique         2.46, 4.92 A)
 &rst
  ixpk= 2148, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 986, 987, 988,
 igr2=1029,1030,1031,
 &end
#
#    0 AMB  21-2:2149    70 ALA  MB          6.00    (#   2149:21  Single Ambig)
 &rst
  ixpk= 2149, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1029,1030,1031,
 &end
#
#   71 LEU  HG           71 LEU  HB-         3.50    (#   2150:21  Unique         2.59, 2.81 A)
 &rst
  ixpk= 2150, nxpk= 21, iat=1042,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2=1039,1040,
 &end
#
#   71 LEU  HB-          71 LEU  HG          6.00    (#   2151:21  Unique         2.59, 2.81 A)
 &rst
  ixpk= 2151, nxpk= 21, iat=  -1,1042, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1039,1040,
 &end
#
#    0 AMB  21-2:2152     0 AMB  21-1:2152   6.00    (#   2152:21  Double Ambig)
 &rst
  ixpk= 2152, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1061,1062,1061,1062,
 &end
#
#   72 GLN  HA           75 PHE  HB+         6.00    (#   2154:21  Unique         2.30, 3.44 A)
 &rst
  ixpk= 2154, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1106,1107,
 &end
#
#    0 AMB  21-2:2155     0 AMB  21-1:2155   3.50    (#   2155:21  Double Ambig)
 &rst
  ixpk= 2155, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1154,1155,1138,
 igr2=1197,1198,1199,1201,1202,1203,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   78 GLU  HB-          78 GLU  HA          4.50    (#   2156:21  Unique         2.30, 2.67 A)
 &rst
  ixpk= 2156, nxpk= 21, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1154,1155,
 &end
#
#    0 AMB  21-2:2157    78 GLU  HA          4.50    (#   2157:21  Single Ambig)
 &rst
  ixpk= 2157, nxpk= 21, iat=  -1,1152, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1197,1198,1199,1201,1202,1203,1140,1141,1142,1144,
      1145,1146,1140,1141,1142,1144,1145,1146,
 &end
#
#    0 AMB  21-2:2158     0 AMB  21-1:2158   6.00    (#   2158:21  Double Ambig)
 &rst
  ixpk= 2158, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1166,1167,1166,1167,
 igr2=1154,1155,1154,1155,
 &end
#
#   78 GLU  HA           78 GLU  HB+         4.50    (#   2159:21  Unique         2.30, 2.67 A)
 &rst
  ixpk= 2159, nxpk= 21, iat=1152,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1154,1155,
 &end
#
#   77 VAL  HB            0 AMB  21-1:2161   3.50    (#   2161:21  Single Ambig)
 &rst
  ixpk= 2161, nxpk= 21, iat=1138,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr2=1157,1158,1157,1158,
 &end
#
#   78 GLU  HB-           0 AMB  21-1:2162   2.80    (#   2162:21  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.96, r4= 4.46,
 igr1=1154,1155,
 igr2=1157,1158,1157,1158,
 &end
#
#    0 AMB  21-2:2163     0 AMB  21-1:2163   6.00    (#   2163:21  Double Ambig)
 &rst
  ixpk= 2163, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1181,1152,
 igr2=1172,1173,1172,1173,
 &end
#
#    0 AMB  21-2:2164    79 PRO  HB-         6.00    (#   2164:21  Single Ambig)
 &rst
  ixpk= 2164, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1181,1152,
 igr2=1172,1173,
 &end
#
#   80 ASP  HN           79 PRO  HB-         6.00    (#   2165:21  Unique         3.43, 4.17 A)
 &rst
  ixpk= 2165, nxpk= 21, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1172,1173,
 &end
#
#   79 PRO  HA            0 AMB  21-1:2167   6.00    (#   2167:21  Single Ambig)
 &rst
  ixpk= 2167, nxpk= 21, iat=1175,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1166,1167,1166,1167,
 &end
#
#   80 ASP  HN           80 ASP  HB+         6.00    (#   2168:21  Unique         2.20, 2.96 A)
 &rst
  ixpk= 2168, nxpk= 21, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1183,1184,
 &end
#
#   80 ASP  HN           80 ASP  HB-         6.00    (#   2170:21  Unique         2.20, 2.96 A)
 &rst
  ixpk= 2170, nxpk= 21, iat=1179,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1183,1184,
 &end
#
#   80 ASP  HA           80 ASP  HB+         4.50    (#   2171:21  Unique         2.35, 2.68 A)
 &rst
  ixpk= 2171, nxpk= 21, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1183,1184,
 &end
#
#   80 ASP  HA           80 ASP  HB-         4.50    (#   2172:21  Unique         2.35, 2.68 A)
 &rst
  ixpk= 2172, nxpk= 21, iat=1181,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=1183,1184,
 &end
#
#   84 LEU  HB+          81 VAL  HA          6.00    (#   2173:21  Unique         2.93, 4.37 A)
 &rst
  ixpk= 2173, nxpk= 21, iat=  -1,1193, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1228,1229,
 &end
#
#   84 LEU  HN           83 ALA  HA          6.00    (#   2174:21  Unique         3.42, 3.48 A)
 &rst
  ixpk= 2174, nxpk= 21, iat=1224,1216, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HB+           8 GLN  HA          6.00    (#   2175:21  Unique         3.63, 4.20 A)
 &rst
  ixpk= 2175, nxpk= 21, iat=  -1,  97, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   84 LEU  MDY          84 LEU  HG          4.50    (#   2177:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2177, nxpk= 21, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   85 LEU  HB-          84 LEU  HG          6.00    (#   2178:21  Unique         3.25, 5.54 A)
 &rst
  ixpk= 2178, nxpk= 21, iat=  -1,1231, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1247,1248,
 &end
#
#    0 AMB  21-2:2179     0 AMB  21-1:2179   3.50    (#   2179:21  Double Ambig)
 &rst
  ixpk= 2179, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1=1228,1229,  78,  79,1324,1325,
 igr2=1233,1234,1235,1237,1238,1239,1003,1004,1005,1007,
      1008,1009,
 &end
#
#   65 ARG  HA           68 LEU  MDX         6.00    (#   2180:21  Unique         2.00, 4.23 A)
 &rst
  ixpk= 2180, nxpk= 21, iat= 946,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1003,1004,1005,1007,1008,1009,
 &end
#
#   84 LEU  HA           84 LEU  MDX         6.00    (#   2181:21  Unique         2.20, 4.22 A)
 &rst
  ixpk= 2181, nxpk= 21, iat=1226,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2=1233,1234,1235,1237,1238,1239,
 &end
#
#   84 LEU  MDX          85 LEU  HA          4.50    (#   2182:21  Unique         3.25, 6.59 A)
 &rst
  ixpk= 2182, nxpk= 21, iat=  -1,1245, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   86 TYR  HD           85 LEU  HB+         6.00    (#   2183:21  Unique         2.34, 5.35 A)
 &rst
  ixpk= 2183, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1270,1279,
 igr2=1247,1248,
 &end
#
#   86 TYR  HD           85 LEU  HB-         6.00    (#   2184:21  Unique         2.34, 5.35 A)
 &rst
  ixpk= 2184, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1270,1279,
 igr2=1247,1248,
 &end
#
#   88 GLU  HA            0 AMB  21-1:2188   6.00    (#   2188:21  Single Ambig)
 &rst
  ixpk= 2188, nxpk= 21, iat=1292,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr2=1297,1298,1297,1298,
 &end
#
#    6 PRO  HD+           5 VAL  HA          4.50    (#   2189:21  Unique         1.93, 2.17 A)
 &rst
  ixpk= 2189, nxpk= 21, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  75,  76,
 &end
#
#    6 PRO  HD-           5 VAL  HA          6.00    (#   2190:21  Unique         1.93, 2.17 A)
 &rst
  ixpk= 2190, nxpk= 21, iat=  -1,  60, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   50 VAL  MGY           6 PRO  HA          6.00    (#   2191:21  Unique         3.12, 5.45 A)
 &rst
  ixpk= 2191, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   49 LEU  HG            6 PRO  HA          6.00    (#   2192:21  Unique         3.49, 4.48 A)
 &rst
  ixpk= 2192, nxpk= 21, iat= 719,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HB+           6 PRO  HA          6.00    (#   2193:21  Unique         3.98, 4.63 A)
 &rst
  ixpk= 2193, nxpk= 21, iat=  -1,  84, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#    0 AMB  21-2:2194     0 AMB  21-1:2194   3.50    (#   2194:21  Double Ambig)
 &rst
  ixpk= 2194, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr1= 951, 952, 951, 952,
 igr2= 954, 955, 954, 955,
 &end
#
#   71 LEU  HB-          71 LEU  HA          4.50    (#   2195:21  Unique         2.37, 2.43 A)
 &rst
  ixpk= 2195, nxpk= 21, iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1039,1040,
 &end
#
#   71 LEU  HB+          71 LEU  HA          4.50    (#   2196:21  Unique         2.37, 2.43 A)
 &rst
  ixpk= 2196, nxpk= 21, iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1039,1040,
 &end
#
#   76 ASP  HB+          76 ASP  HA          4.50    (#   2197:21  Unique         2.33, 2.72 A)
 &rst
  ixpk= 2197, nxpk= 21, iat=  -1,1124, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1126,1127,
 &end
#
#    6 PRO  HB+          49 LEU  MDY         6.00    (#   2199:21  Unique         1.99, 4.82 A)
 &rst
  ixpk= 2199, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  81,  82,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#    0 AMB  21-2:2200     0 AMB  21-1:2200   6.00    (#   2200:21  Double Ambig)
 &rst
  ixpk= 2200, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1150,1207,
 igr2=1154,1155,1154,1155,
 &end
#
#   47 TRP  HE1          61 GLU  HB+         6.00    (#   2201:21  Unique         3.40, 4.14 A)
 &rst
  ixpk= 2201, nxpk= 21, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 898, 899,
 &end
#
#    0 AMB  21-2:2202    78 GLU  HB-         6.00    (#   2202:21  Single Ambig)
 &rst
  ixpk= 2202, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1166,1167,1166,1167,
 igr2=1154,1155,
 &end
#
#   15 ASN  HD2-         15 ASN  HB-         6.00    (#   2206:21  Unique         2.12, 3.23 A)
 &rst
  ixpk= 2206, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 216, 217,
 igr2= 211, 212,
 &end
#
#   41 GLN  HE2-         41 GLN  HG-         6.00    (#   2207:21  Unique         2.12, 3.27 A)
 &rst
  ixpk= 2207, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 589, 590,
 igr2= 584, 585,
 &end
#
#   46 GLN  HE2-          0 AMB  21-1:2208   6.00    (#   2208:21  Single Ambig)
 &rst
  ixpk= 2208, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 667, 668,
 igr2= 662, 663, 662, 663,
 &end
#
#   30 LEU  MDX          35 SER  HB-         4.50    (#   2209:21  Unique         1.98, 4.39 A)
 &rst
  ixpk= 2209, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 511, 512,
 &end
#
#   30 LEU  MDX          35 SER  HB+         4.50    (#   2210:21  Unique         1.98, 4.39 A)
 &rst
  ixpk= 2210, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 441, 442, 443, 445, 446, 447,
 igr2= 511, 512,
 &end
#
#   35 SER  HB-          12 ILE  MD1         6.00    (#   2211:21  Unique         5.12, 7.14 A)
 &rst
  ixpk= 2211, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 511, 512,
 igr2= 182, 183, 184,
 &end
#
#    0 AMB  21-2:2212    12 ILE  MD1         6.00    (#   2212:21  Single Ambig)
 &rst
  ixpk= 2212, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 610, 509,
 igr2= 182, 183, 184,
 &end
#
#   42 PRO  HA           12 ILE  MD1         6.00    (#   2213:21  Unique         3.12, 4.62 A)
 &rst
  ixpk= 2213, nxpk= 21, iat= 604,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 182, 183, 184,
 &end
#
#    0 AMB  21-2:2214    71 LEU  HB-         6.00    (#   2214:21  Single Ambig)
 &rst
  ixpk= 2214, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 996,  53,  54,  53,  54, 982,
 igr2=1039,1040,
 &end
#
#   49 LEU  HG           49 LEU  MDX         6.00    (#   2215:21  Unique         2.21, 2.63 A)
 &rst
  ixpk= 2215, nxpk= 21, iat= 719,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 721, 722, 723, 725, 726, 727,
 &end
#
#    7 GLY  HA-          21 VAL  HA          6.00    (#   2216:21  Unique         3.41, 3.86 A)
 &rst
  ixpk= 2216, nxpk= 21, iat=  -1, 300, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#   88 GLU  HN           87 GLY  HA+         6.00    (#   2217:21  Unique         2.14, 2.71 A)
 &rst
  ixpk= 2217, nxpk= 21, iat=1290,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1285,1286,
 &end
#
#   85 LEU  HN           87 GLY  HA+         6.00    (#   2218:21  Unique         5.04, 6.32 A)
 &rst
  ixpk= 2218, nxpk= 21, iat=1243,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1285,1286,
 &end
#
#   47 TRP  HE1           8 GLN  HG-         6.00    (#   2220:21  Unique         2.26, 3.12 A)
 &rst
  ixpk= 2220, nxpk= 21, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 102, 103,
 &end
#
#    0 AMB  21-2:2221     9 ILE  MD1         4.50    (#   2221:21  Single Ambig)
 &rst
  ixpk= 2221, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1= 242, 243, 244, 811, 812, 813,
 igr2= 125, 126, 127,
 &end
#
#   43 ARG  HA           46 GLN  HB+         6.00    (#   2222:21  Unique         2.24, 3.18 A)
 &rst
  ixpk= 2222, nxpk= 21, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 659, 660,
 &end
#
#   50 VAL  HA           50 VAL  MGX         4.50    (#   2223:21  Unique         2.43, 3.27 A)
 &rst
  ixpk= 2223, nxpk= 21, iat= 733,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#    5 VAL  HN           50 VAL  MGX         6.00    (#   2225:21  Unique         1.95, 4.13 A)
 &rst
  ixpk= 2225, nxpk= 21, iat=  58,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   51 HIS  HN           50 VAL  MGX         4.50    (#   2226:21  Unique         2.20, 4.32 A)
 &rst
  ixpk= 2226, nxpk= 21, iat= 747,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   50 VAL  HB           50 VAL  MGX         3.50    (#   2227:21  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2227, nxpk= 21, iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr2= 737, 738, 739, 741, 742, 743,
 &end
#
#   27 ASP  HA           18 LYS  HD-         6.00    (#   2229:21  Unique         3.94, 5.21 A)
 &rst
  ixpk= 2229, nxpk= 21, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 258, 259,
 &end
#
#   55 ALA  MB           50 VAL  HA          6.00    (#   2230:21  Unique         5.04, 6.64 A)
 &rst
  ixpk= 2230, nxpk= 21, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 811, 812, 813,
 &end
#
#    0 AMB  21-2:2231    50 VAL  HA          6.00    (#   2231:21  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 21, iat=  -1, 733, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   72 GLN  HA            0 AMB  21-1:2232   6.00    (#   2232:21  Single Ambig)
 &rst
  ixpk= 2232, nxpk= 21, iat=1056,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1073,1124,
 &end
#
#   75 PHE  HB+          75 PHE  HA          4.50    (#   2233:21  Unique         2.36, 2.74 A)
 &rst
  ixpk= 2233, nxpk= 21, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1106,1107,
 &end
#
#   75 PHE  HB-          75 PHE  HA          6.00    (#   2234:21  Unique         2.36, 2.74 A)
 &rst
  ixpk= 2234, nxpk= 21, iat=  -1,1104, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1106,1107,
 &end
#
#   23 GLY  HN           22 CYS  HB+         6.00    (#   2235:21  Unique         2.84, 3.43 A)
 &rst
  ixpk= 2235, nxpk= 21, iat= 325,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   24 ILE  HN           22 CYS  HB-         6.00    (#   2236:21  Unique         5.21, 5.70 A)
 &rst
  ixpk= 2236, nxpk= 21, iat= 332,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 318, 319,
 &end
#
#   25 GLN  HN           25 GLN  HA          6.00    (#   2237:21  Unique         2.76, 2.76 A)
 &rst
  ixpk= 2237, nxpk= 21, iat= 351, 353, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   25 GLN  HB-          25 GLN  HA          6.00    (#   2238:21  Unique         2.61, 2.83 A)
 &rst
  ixpk= 2238, nxpk= 21, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 355, 356,
 &end
#
#   26 ARG  HB-          25 GLN  HA          6.00    (#   2239:21  Unique         4.54, 5.14 A)
 &rst
  ixpk= 2239, nxpk= 21, iat=  -1, 353, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 372, 373,
 &end
#
#    0 AMB  21-2:2241     0 AMB  21-1:2241   6.00    (#   2241:21  Double Ambig)
 &rst
  ixpk= 2241, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 923, 924, 926, 927,
 igr2= 972, 973, 972, 973,
 &end
#
#   71 LEU  HB+          67 THR  MG2         4.50    (#   2242:21  Unique         2.64, 4.53 A)
 &rst
  ixpk= 2242, nxpk= 21, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1039,1040,
 igr2= 986, 987, 988,
 &end
#
#   86 TYR  HA           86 TYR  HD          6.00    (#      0:26  Unique         2.04, 3.46 A)
 &rst
  ixpk= 0, nxpk= 26, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1270,1279,
 &end
#
#   86 TYR  HB-          86 TYR  HD          6.00    (#      1:26  Unique         2.30, 3.06 A)
 &rst
  ixpk= 1, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1266,1267,
 igr2=1270,1279,
 &end
#
#   54 PHE  HB+          54 PHE  HD          6.00    (#      2:26  Unique         2.33, 3.03 A)
 &rst
  ixpk= 2, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 791, 792,
 igr2= 795, 803,
 &end
#
#   54 PHE  HB+          54 PHE  HE          6.00    (#      3:26  Unique         4.62, 5.04 A)
 &rst
  ixpk= 3, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 791, 792,
 igr2= 797, 801,
 &end
#
#   32 LEU  MDY          54 PHE  HD          6.00    (#      5:26  Unique         2.97, 5.04 A)
 &rst
  ixpk= 5, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 474, 475, 476, 478, 479, 480,
 igr2= 795, 803,
 &end
#
#   75 PHE  HA           75 PHE  HE          6.00    (#      7:26  Unique         4.33, 5.32 A)
 &rst
  ixpk= 7, nxpk= 26, iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1112,1116,
 &end
#
#   54 PHE  HN           54 PHE  HD          6.00    (#      8:26  Unique         2.15, 4.04 A)
 &rst
  ixpk= 8, nxpk= 26, iat= 787,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 795, 803,
 &end
#
#    0 AMB  26-2:9       75 PHE  HD          6.00    (#      9:26  Single Ambig)
 &rst
  ixpk= 9, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1104,1073,
 igr2=1110,1118,
 &end
#
#   75 PHE  HB+          75 PHE  HD          6.00    (#     10:26  Unique         2.28, 3.04 A)
 &rst
  ixpk= 10, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1106,1107,
 igr2=1110,1118,
 &end
#
#   52 VAL  HB           54 PHE  HD          6.00    (#     12:26  Unique         3.79, 6.35 A)
 &rst
  ixpk= 12, nxpk= 26, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 795, 803,
 &end
#
#   52 VAL  HB           54 PHE  HE          6.00    (#     13:26  Unique         4.69, 6.91 A)
 &rst
  ixpk= 13, nxpk= 26, iat= 768,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 797, 801,
 &end
#
#    8 GLN  HG+          47 TRP  HD1         6.00    (#     16:26  Unique         2.74, 3.61 A)
 &rst
  ixpk= 16, nxpk= 26, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#   61 GLU  HG-          47 TRP  HD1         4.50    (#     17:26  Unique         2.28, 3.17 A)
 &rst
  ixpk= 17, nxpk= 26, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 901, 902,
 &end
#
#   61 GLU  HA           47 TRP  HD1         6.00    (#     18:26  Unique         3.35, 3.53 A)
 &rst
  ixpk= 18, nxpk= 26, iat= 896, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HB+          47 TRP  HD1         4.50    (#     19:26  Unique         3.09, 3.50 A)
 &rst
  ixpk= 19, nxpk= 26, iat=  -1, 680, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   46 GLN  HA           47 TRP  HD1         6.00    (#     20:26  Unique         2.90, 3.02 A)
 &rst
  ixpk= 20, nxpk= 26, iat= 657, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 ASN  HA           47 TRP  HD1         6.00    (#     21:26  Unique         3.95, 4.13 A)
 &rst
  ixpk= 21, nxpk= 26, iat= 882, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HA           47 TRP  HD1         6.00    (#     22:26  Unique         3.01, 3.07 A)
 &rst
  ixpk= 22, nxpk= 26, iat= 674, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GLU  HN           47 TRP  HD1         6.00    (#     23:26  Unique         4.09, 4.22 A)
 &rst
  ixpk= 23, nxpk= 26, iat= 894, 680, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HN           47 TRP  HD1         4.50    (#     24:26  Unique         2.58, 2.67 A)
 &rst
  ixpk= 24, nxpk= 26, iat= 672, 680, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 TRP  HE1          47 TRP  HD1         3.50    (#     25:26  Unique         2.57, 2.57 A)
 &rst
  ixpk= 25, nxpk= 26, iat= 682, 680, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    8 GLN  HB-          47 TRP  HH2         6.00    (#     26:26  Unique         3.97, 4.82 A)
 &rst
  ixpk= 26, nxpk= 26, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#   64 ALA  MB           47 TRP  HH2         6.00    (#     27:26  Unique         4.37, 5.35 A)
 &rst
  ixpk= 27, nxpk= 26, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#   68 LEU  MDX          47 TRP  HH2         6.00    (#     28:26  Unique         3.31, 5.24 A)
 &rst
  ixpk= 28, nxpk= 26, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#    8 GLN  HB+          47 TRP  HH2         6.00    (#     29:26  Unique         3.97, 4.82 A)
 &rst
  ixpk= 29, nxpk= 26, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#    0 AMB  26-2:30      47 TRP  HH2         6.00    (#     30:26  Single Ambig)
 &rst
  ixpk= 30, nxpk= 26, iat=  -1, 687, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 898, 899,  81,  82,
 &end
#
#   47 TRP  HZ3          47 TRP  HH2         3.50    (#     31:26  Unique         2.44, 2.44 A)
 &rst
  ixpk= 31, nxpk= 26, iat= 689, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   47 TRP  HZ2          47 TRP  HH2         3.50    (#     32:26  Unique         2.46, 2.46 A)
 &rst
  ixpk= 32, nxpk= 26, iat= 685, 687, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  26-2:33      47 TRP  HE3         6.00    (#     33:26  Single Ambig)
 &rst
  ixpk= 33, nxpk= 26, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 276, 277, 278, 280, 281, 282, 702, 703, 704, 706,
       707, 708,
 &end
#
#   68 LEU  MDX          47 TRP  HE3         6.00    (#     34:26  Unique         4.30, 6.17 A)
 &rst
  ixpk= 34, nxpk= 26, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#    6 PRO  HB+          47 TRP  HE3         6.00    (#     35:26  Unique         2.16, 3.20 A)
 &rst
  ixpk= 35, nxpk= 26, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#   47 TRP  HB-          47 TRP  HE3         6.00    (#     36:26  Unique         2.42, 3.04 A)
 &rst
  ixpk= 36, nxpk= 26, iat=  -1, 691, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   47 TRP  HZ3          47 TRP  HE3         6.00    (#     38:26  Unique         2.46, 2.46 A)
 &rst
  ixpk= 38, nxpk= 26, iat= 689, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HN           47 TRP  HE3         6.00    (#     39:26  Unique         3.77, 4.08 A)
 &rst
  ixpk= 39, nxpk= 26, iat= 696, 691, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TYR  HA           86 TYR  HE          6.00    (#     41:26  Unique         4.35, 5.30 A)
 &rst
  ixpk= 41, nxpk= 26, iat=1264,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1272,1277,
 &end
#
#   86 TYR  HD           86 TYR  HE          3.50    (#     42:26  Unique         2.46, 3.69 A)
 &rst
  ixpk= 42, nxpk= 26, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1270,1279,
 igr2=1272,1277,
 &end
#
#   51 HIS  HB+          51 HIS  HD2         6.00    (#     43:26  Unique         2.72, 3.40 A)
 &rst
  ixpk= 43, nxpk= 26, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#    0 AMB  26-2:44      51 HIS  HD2         6.00    (#     44:26  Single Ambig)
 &rst
  ixpk= 44, nxpk= 26, iat=  -1, 760, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 791, 792, 751, 752,
 &end
#
#    0 AMB  26-2:46      47 TRP  HZ2         6.00    (#     46:26  Single Ambig)
 &rst
  ixpk= 46, nxpk= 26, iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 898, 899, 901, 902,
 &end
#
#   47 TRP  HE1          47 TRP  HZ2         4.50    (#     48:26  Unique         2.82, 2.82 A)
 &rst
  ixpk= 48, nxpk= 26, iat= 682, 685, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 PHE  HA           54 PHE  HD          6.00    (#     49:26  Unique         2.74, 3.56 A)
 &rst
  ixpk= 49, nxpk= 26, iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 795, 803,
 &end
#
#   89 GLU  HA           90 LYS  HN          4.50    (#      0:17  Unique         2.21, 2.89 A)
 &rst
  ixpk= 0, nxpk= 17, iat=1307,1320, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   89 GLU  HB+          90 LYS  HN          6.00    (#      1:17  Unique         1.92, 3.89 A)
 &rst
  ixpk= 1, nxpk= 17, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1309,1310,
 &end
#
#    0 AMB  17-2:3       90 LYS  HN          6.00    (#      3:17  Single Ambig)
 &rst
  ixpk= 3, nxpk= 17, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1327,1328,1327,1328,
 &end
#
#    0 AMB  17-2:4       90 LYS  HN          6.00    (#      4:17  Single Ambig)
 &rst
  ixpk= 4, nxpk= 17, iat=  -1,1320, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1330,1331,1330,1331,
 &end
#
#    0 AMB  17-2:5       89 GLU  HN          2.80    (#      5:17  Single Ambig)
 &rst
  ixpk= 5, nxpk= 17, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1292,1307,
 &end
#
#    0 AMB  17-2:6       89 GLU  HN          6.00    (#      6:17  Single Ambig)
 &rst
  ixpk= 6, nxpk= 17, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1312,1313,1312,1313,
 &end
#
#    0 AMB  17-2:7       89 GLU  HN          3.50    (#      7:17  Single Ambig)
 &rst
  ixpk= 7, nxpk= 17, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1309,1310,1294,1295,
 &end
#
#   90 LYS  HN           89 GLU  HN          6.00    (#      8:17  Unique         1.95, 3.01 A)
 &rst
  ixpk= 8, nxpk= 17, iat=1320,1305, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:10      88 GLU  HN          6.00    (#     10:17  Single Ambig)
 &rst
  ixpk= 10, nxpk= 17, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1297,1298,1297,1298,
 &end
#
#   88 GLU  HB-          88 GLU  HN          4.50    (#     11:17  Unique         2.19, 3.00 A)
 &rst
  ixpk= 11, nxpk= 17, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1294,1295,
 &end
#
#   88 GLU  HA           88 GLU  HN          6.00    (#     12:17  Unique         2.28, 2.82 A)
 &rst
  ixpk= 12, nxpk= 17, iat=1292,1290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 GLY  HA+          88 GLU  HN          4.50    (#     13:17  Unique         2.14, 2.71 A)
 &rst
  ixpk= 13, nxpk= 17, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1285,1286,
 &end
#
#   84 LEU  MDX          88 GLU  HN          6.00    (#     14:17  Unique         5.56, 8.94 A)
 &rst
  ixpk= 14, nxpk= 17, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   83 ALA  HA           87 GLY  HN          6.00    (#     15:17  Unique         2.66, 3.50 A)
 &rst
  ixpk= 15, nxpk= 17, iat=1216,1283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 GLY  HA+          87 GLY  HN          4.50    (#     16:17  Unique         2.29, 2.65 A)
 &rst
  ixpk= 16, nxpk= 17, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1285,1286,
 &end
#
#   86 TYR  HA           87 GLY  HN          6.00    (#     17:17  Unique         3.47, 3.53 A)
 &rst
  ixpk= 17, nxpk= 17, iat=1264,1283, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TYR  HB-          87 GLY  HN          6.00    (#     19:17  Unique         2.16, 3.15 A)
 &rst
  ixpk= 19, nxpk= 17, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1267,
 &end
#
#   88 GLU  HN           87 GLY  HN          4.50    (#     20:17  Unique         2.59, 4.11 A)
 &rst
  ixpk= 20, nxpk= 17, iat=1290,1283, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   86 TYR  HB-          86 TYR  HN          6.00    (#     21:17  Unique         2.07, 2.91 A)
 &rst
  ixpk= 21, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1267,
 &end
#
#   86 TYR  HB+          86 TYR  HN          6.00    (#     22:17  Unique         2.07, 2.91 A)
 &rst
  ixpk= 22, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1267,
 &end
#
#    0 AMB  17-2:23      86 TYR  HN          4.50    (#     23:17  Single Ambig)
 &rst
  ixpk= 23, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1245,1226,
 &end
#
#   86 TYR  HA           86 TYR  HN          6.00    (#     25:17  Unique         2.76, 2.82 A)
 &rst
  ixpk= 25, nxpk= 17, iat=1264,1262, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   86 TYR  HD           86 TYR  HN          6.00    (#     26:17  Unique         1.96, 3.82 A)
 &rst
  ixpk= 26, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1270,1279,
 &end
#
#   85 LEU  HB+          86 TYR  HN          6.00    (#     27:17  Unique         2.02, 2.80 A)
 &rst
  ixpk= 27, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1247,1248,
 &end
#
#   85 LEU  HB-          86 TYR  HN          6.00    (#     28:17  Unique         2.02, 2.80 A)
 &rst
  ixpk= 28, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1247,1248,
 &end
#
#    0 AMB  17-2:29      86 TYR  HN          6.00    (#     29:17  Single Ambig)
 &rst
  ixpk= 29, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1252,1253,1254,1256,1257,1258,1252,1253,1254,1256,
      1257,1258,
 &end
#
#   81 VAL  MGX          86 TYR  HN          6.00    (#     30:17  Unique         5.62, 7.99 A)
 &rst
  ixpk= 30, nxpk= 17, iat=  -1,1262, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#   84 LEU  HB-          85 LEU  HN          2.80    (#     32:17  Unique         2.10, 3.36 A)
 &rst
  ixpk= 32, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1228,1229,
 &end
#
#   85 LEU  HB-          85 LEU  HN          4.50    (#     33:17  Unique         2.05, 2.74 A)
 &rst
  ixpk= 33, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1247,1248,
 &end
#
#   81 VAL  MGX          85 LEU  HN          6.00    (#     34:17  Unique         4.68, 6.34 A)
 &rst
  ixpk= 34, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#   85 LEU  MDX          85 LEU  HN          4.50    (#     35:17  Unique         2.35, 4.57 A)
 &rst
  ixpk= 35, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1252,1253,1254,1256,1257,1258,
 &end
#
#   84 LEU  HB+          85 LEU  HN          4.50    (#     36:17  Unique         2.10, 3.36 A)
 &rst
  ixpk= 36, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1228,1229,
 &end
#
#    0 AMB  17-2:37      85 LEU  HN          3.50    (#     37:17  Single Ambig)
 &rst
  ixpk= 37, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1245,1226,
 &end
#
#   84 LEU  HN           85 LEU  HN          4.50    (#     38:17  Unique         2.15, 2.46 A)
 &rst
  ixpk= 38, nxpk= 17, iat=1224,1243, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:39      84 LEU  HN          6.00    (#     39:17  Single Ambig)
 &rst
  ixpk= 39, nxpk= 17, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1226,1216,
 &end
#
#   84 LEU  HB+          84 LEU  HN          6.00    (#     40:17  Unique         2.73, 3.23 A)
 &rst
  ixpk= 40, nxpk= 17, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1228,1229,
 &end
#
#   84 LEU  HB-          84 LEU  HN          6.00    (#     41:17  Unique         2.73, 3.23 A)
 &rst
  ixpk= 41, nxpk= 17, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1228,1229,
 &end
#
#   83 ALA  MB           83 ALA  HN          4.50    (#     42:17  Unique         2.07, 2.92 A)
 &rst
  ixpk= 42, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1218,1219,1220,
 &end
#
#   82 GLY  HA-          83 ALA  HN          6.00    (#     43:17  Unique         2.69, 3.22 A)
 &rst
  ixpk= 43, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1209,1210,
 &end
#
#   82 GLY  HA+          83 ALA  HN          4.50    (#     44:17  Unique         2.69, 3.22 A)
 &rst
  ixpk= 44, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1209,1210,
 &end
#
#   83 ALA  HA           83 ALA  HN          4.50    (#     45:17  Unique         2.79, 2.86 A)
 &rst
  ixpk= 45, nxpk= 17, iat=1216,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ASP  HA           83 ALA  HN          6.00    (#     46:17  Unique         3.46, 3.85 A)
 &rst
  ixpk= 46, nxpk= 17, iat=1181,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 GLY  HN           83 ALA  HN          6.00    (#     48:17  Unique         2.29, 2.65 A)
 &rst
  ixpk= 48, nxpk= 17, iat=1207,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   84 LEU  MDY          83 ALA  HN          6.00    (#     49:17  Unique         2.93, 5.40 A)
 &rst
  ixpk= 49, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1233,1234,1235,1237,1238,1239,
 &end
#
#   81 VAL  MGY          82 GLY  HN          6.00    (#     50:17  Unique         2.02, 4.08 A)
 &rst
  ixpk= 50, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#    0 AMB  17-2:51      82 GLY  HN          6.00    (#     51:17  Single Ambig)
 &rst
  ixpk= 51, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1218,1219,1220,1247,1248,
 &end
#
#   81 VAL  HB           82 GLY  HN          6.00    (#     52:17  Unique         3.86, 3.95 A)
 &rst
  ixpk= 52, nxpk= 17, iat=1195,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  MGX          46 GLN  HE2-        6.00    (#     53:17  Unique         3.27, 6.21 A)
 &rst
  ixpk= 53, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 667, 668,
 &end
#
#   82 GLY  HA-          82 GLY  HN          2.80    (#     54:17  Unique         2.29, 2.57 A)
 &rst
  ixpk= 54, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1209,1210,
 &end
#
#   82 GLY  HA+          82 GLY  HN          2.80    (#     55:17  Unique         2.29, 2.57 A)
 &rst
  ixpk= 55, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1209,1210,
 &end
#
#   79 PRO  HA           82 GLY  HN          6.00    (#     56:17  Unique         3.08, 3.71 A)
 &rst
  ixpk= 56, nxpk= 17, iat=1175,1207, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:57      82 GLY  HN          6.00    (#     57:17  Single Ambig)
 &rst
  ixpk= 57, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1181,1152,
 &end
#
#    0 AMB  17-2:59      82 GLY  HN          4.50    (#     59:17  Single Ambig)
 &rst
  ixpk= 59, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1191,1214,
 &end
#
#   80 ASP  HB-          82 GLY  HN          6.00    (#     60:17  Unique         4.07, 4.99 A)
 &rst
  ixpk= 60, nxpk= 17, iat=  -1,1207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1183,1184,
 &end
#
#   81 VAL  HA           81 VAL  HN          4.50    (#     61:17  Unique         2.76, 2.82 A)
 &rst
  ixpk= 61, nxpk= 17, iat=1193,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:62      81 VAL  HN          4.50    (#     62:17  Single Ambig)
 &rst
  ixpk= 62, nxpk= 17, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1181,1152,
 &end
#
#   81 VAL  HB           81 VAL  HN          4.50    (#     63:17  Unique         3.60, 3.62 A)
 &rst
  ixpk= 63, nxpk= 17, iat=1195,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   81 VAL  MGX          81 VAL  HN          3.50    (#     64:17  Unique         1.96, 3.04 A)
 &rst
  ixpk= 64, nxpk= 17, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1=1197,1198,1199,1201,1202,1203,
 &end
#
#   80 ASP  HB+          81 VAL  HN          6.00    (#     65:17  Unique         2.02, 3.11 A)
 &rst
  ixpk= 65, nxpk= 17, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1183,1184,
 &end
#
#   82 GLY  HN           81 VAL  HN          4.50    (#     66:17  Unique         2.23, 2.60 A)
 &rst
  ixpk= 66, nxpk= 17, iat=1207,1191, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   80 ASP  HB-          80 ASP  HN          3.50    (#     67:17  Unique         2.20, 2.96 A)
 &rst
  ixpk= 67, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1183,1184,
 &end
#
#   79 PRO  HB+          80 ASP  HN          4.50    (#     68:17  Unique         3.43, 4.17 A)
 &rst
  ixpk= 68, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1172,1173,
 &end
#
#   78 GLU  HB-          80 ASP  HN          4.50    (#     69:17  Unique         2.36, 4.71 A)
 &rst
  ixpk= 69, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1154,1155,
 &end
#
#    0 AMB  17-2:71      80 ASP  HN          6.00    (#     71:17  Single Ambig)
 &rst
  ixpk= 71, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1166,1167,1166,1167,
 &end
#
#   79 PRO  HA           80 ASP  HN          3.50    (#     72:17  Unique         2.16, 2.66 A)
 &rst
  ixpk= 72, nxpk= 17, iat=1175,1179, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:73      80 ASP  HN          4.50    (#     73:17  Single Ambig)
 &rst
  ixpk= 73, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1181,1152,
 &end
#
#    0 AMB  17-2:75      78 GLU  HN          6.00    (#     75:17  Single Ambig)
 &rst
  ixpk= 75, nxpk= 17, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   78 GLU  HB-          78 GLU  HN          4.50    (#     76:17  Unique         2.32, 3.64 A)
 &rst
  ixpk= 76, nxpk= 17, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1154,1155,
 &end
#
#    0 AMB  17-2:77      78 GLU  HN          4.50    (#     77:17  Single Ambig)
 &rst
  ixpk= 77, nxpk= 17, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1=1138,1154,1155,
 &end
#
#    0 AMB  17-2:78      78 GLU  HN          4.50    (#     78:17  Single Ambig)
 &rst
  ixpk= 78, nxpk= 17, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1157,1158,1157,1158,
 &end
#
#    0 AMB  17-2:79      78 GLU  HN          6.00    (#     79:17  Single Ambig)
 &rst
  ixpk= 79, nxpk= 17, iat=  -1,1150, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1166,1167,1166,1167,
 &end
#
#   77 VAL  HA           78 GLU  HN          3.50    (#     80:17  Unique         2.14, 2.88 A)
 &rst
  ixpk= 80, nxpk= 17, iat=1136,1150, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 GLU  HA           78 GLU  HN          6.00    (#     81:17  Unique         2.27, 2.59 A)
 &rst
  ixpk= 81, nxpk= 17, iat=1152,1150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   77 VAL  HN           78 GLU  HN          6.00    (#     82:17  Unique         2.31, 3.50 A)
 &rst
  ixpk= 82, nxpk= 17, iat=1134,1150, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:83      77 VAL  HN          3.50    (#     83:17  Single Ambig)
 &rst
  ixpk= 83, nxpk= 17, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   77 VAL  HB           77 VAL  HN          4.50    (#     84:17  Unique         2.40, 3.16 A)
 &rst
  ixpk= 84, nxpk= 17, iat=1138,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   73 ASN  HB-          72 GLN  HN          6.00    (#     86:17  Unique         4.49, 5.45 A)
 &rst
  ixpk= 86, nxpk= 17, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   77 VAL  HA           77 VAL  HN          4.50    (#     87:17  Unique         2.77, 2.89 A)
 &rst
  ixpk= 87, nxpk= 17, iat=1136,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:88      77 VAL  HN          3.50    (#     88:17  Single Ambig)
 &rst
  ixpk= 88, nxpk= 17, iat=  -1,1134, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1104,
 &end
#
#   78 GLU  HN           77 VAL  HN          4.50    (#     89:17  Unique         2.31, 3.50 A)
 &rst
  ixpk= 89, nxpk= 17, iat=1150,1134, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   76 ASP  HB+          76 ASP  HN          4.50    (#     90:17  Unique         2.16, 2.83 A)
 &rst
  ixpk= 90, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1126,1127,
 &end
#
#   75 PHE  HB-          76 ASP  HN          6.00    (#     91:17  Unique         2.33, 3.43 A)
 &rst
  ixpk= 91, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1106,1107,
 &end
#
#   75 PHE  HB+          76 ASP  HN          6.00    (#     92:17  Unique         2.33, 3.43 A)
 &rst
  ixpk= 92, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1106,1107,
 &end
#
#   84 LEU  HA           88 GLU  HN          6.00    (#     93:17  Unique         2.90, 5.14 A)
 &rst
  ixpk= 93, nxpk= 17, iat=1226,1290, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   75 PHE  HD           75 PHE  HN          6.00    (#     94:17  Unique         1.94, 4.37 A)
 &rst
  ixpk= 94, nxpk= 17, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1110,1118,
 &end
#
#   69 ASP  HA           69 ASP  HN          4.50    (#     96:17  Unique         2.83, 2.89 A)
 &rst
  ixpk= 96, nxpk= 17, iat=1015,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:97      69 ASP  HN          4.50    (#     97:17  Single Ambig)
 &rst
  ixpk= 97, nxpk= 17, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 996, 982,
 &end
#
#   65 ARG  HA           69 ASP  HN          6.00    (#     98:17  Unique         4.18, 4.59 A)
 &rst
  ixpk= 98, nxpk= 17, iat= 946,1013, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ASP  HB+          69 ASP  HN          3.50    (#     99:17  Unique         2.22, 2.61 A)
 &rst
  ixpk= 99, nxpk= 17, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1017,1018,
 &end
#
#   45 GLY  HA-          46 GLN  HN          6.00    (#    100:17  Unique         2.81, 3.20 A)
 &rst
  ixpk= 100, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 650, 651,
 &end
#
#    0 AMB  17-2:101      0 AMB  17-1:101    6.00    (#    101:17  Double Ambig)
 &rst
  ixpk= 101, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1=1106,1107, 618, 619, 634,
 igr2=1085, 655,
 &end
#
#   73 ASN  HB-          74 MET  HN          6.00    (#    102:17  Unique         2.95, 3.40 A)
 &rst
  ixpk= 102, nxpk= 17, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   74 MET  HG-          74 MET  HN          6.00    (#    103:17  Unique         2.47, 4.12 A)
 &rst
  ixpk= 103, nxpk= 17, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1092,1093,
 &end
#
#   46 GLN  HB+          46 GLN  HN          3.50    (#    104:17  Unique         2.09, 2.81 A)
 &rst
  ixpk= 104, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 659, 660,
 &end
#
#    0 AMB  17-2:105     74 MET  HN          3.50    (#    105:17  Single Ambig)
 &rst
  ixpk= 105, nxpk= 17, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1089,1090,1089,1090,
 &end
#
#   49 LEU  MDX          49 LEU  HN          4.50    (#    106:17  Unique         2.15, 3.84 A)
 &rst
  ixpk= 106, nxpk= 17, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#   48 VAL  MGY          49 LEU  HN          4.50    (#    107:17  Unique         1.96, 3.98 A)
 &rst
  ixpk= 107, nxpk= 17, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    0 AMB  17-2:108      0 AMB  17-1:108    4.50    (#    108:17  Double Ambig)
 &rst
  ixpk= 108, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 610,1037,
 igr2= 655,1085,
 &end
#
#    0 AMB  17-2:109      0 AMB  17-1:109    4.50    (#    109:17  Double Ambig)
 &rst
  ixpk= 109, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 714, 657,
 igr2= 712, 655,
 &end
#
#   73 ASN  HA           74 MET  HN          6.00    (#    110:17  Unique         3.42, 3.46 A)
 &rst
  ixpk= 110, nxpk= 17, iat=1073,1085, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 GLY  HN           46 GLN  HN          4.50    (#    111:17  Unique         2.19, 2.33 A)
 &rst
  ixpk= 111, nxpk= 17, iat= 648, 655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:112     46 GLN  HN          6.00    (#    112:17  Single Ambig)
 &rst
  ixpk= 112, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 672, 112,
 &end
#
#    0 AMB  17-2:113     73 ASN  HN          6.00    (#    113:17  Single Ambig)
 &rst
  ixpk= 113, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1058,1059,1058,1059,
 &end
#
#   72 GLN  HG+          73 ASN  HN          6.00    (#    114:17  Unique         2.51, 4.88 A)
 &rst
  ixpk= 114, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1061,1062,
 &end
#
#   73 ASN  HB-          73 ASN  HN          4.50    (#    115:17  Unique         2.14, 2.90 A)
 &rst
  ixpk= 115, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1075,1076,
 &end
#
#    0 AMB  17-2:116     73 ASN  HN          6.00    (#    116:17  Single Ambig)
 &rst
  ixpk= 116, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1056,1037,
 &end
#
#   73 ASN  HA           73 ASN  HN          6.00    (#    117:17  Unique         2.78, 2.86 A)
 &rst
  ixpk= 117, nxpk= 17, iat=1073,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   71 LEU  HG           72 GLN  HN          6.00    (#    118:17  Unique         2.28, 2.43 A)
 &rst
  ixpk= 118, nxpk= 17, iat=1042,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:119     72 GLN  HN          4.50    (#    119:17  Single Ambig)
 &rst
  ixpk= 119, nxpk= 17, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1=1039,1040,1029,1030,1031,
 &end
#
#   71 LEU  HB+          72 GLN  HN          4.50    (#    120:17  Unique         3.86, 4.01 A)
 &rst
  ixpk= 120, nxpk= 17, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1039,1040,
 &end
#
#    0 AMB  17-2:121     72 GLN  HN          4.50    (#    121:17  Single Ambig)
 &rst
  ixpk= 121, nxpk= 17, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1058,1059,1058,1059,
 &end
#
#   72 GLN  HA           72 GLN  HN          4.50    (#    123:17  Unique         2.76, 2.79 A)
 &rst
  ixpk= 123, nxpk= 17, iat=1056,1054, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   69 ASP  HA           72 GLN  HN          6.00    (#    124:17  Unique         2.99, 3.32 A)
 &rst
  ixpk= 124, nxpk= 17, iat=1015,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:126     71 LEU  HN          4.50    (#    126:17  Single Ambig)
 &rst
  ixpk= 126, nxpk= 17, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#    0 AMB  17-2:127     71 LEU  HN          2.80    (#    127:17  Single Ambig)
 &rst
  ixpk= 127, nxpk= 17, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.66, r4= 4.16,
 igr1=1039,1040,1029,1030,1031,
 &end
#
#   71 LEU  HB+          71 LEU  HN          2.80    (#    128:17  Unique         2.42, 3.12 A)
 &rst
  ixpk= 128, nxpk= 17, iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=1039,1040,
 &end
#
#   70 ALA  HN           71 LEU  HN          3.50    (#    129:17  Unique         2.30, 2.67 A)
 &rst
  ixpk= 129, nxpk= 17, iat=1025,1035, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 THR  HA           71 LEU  HN          4.50    (#    130:17  Unique         3.43, 3.77 A)
 &rst
  ixpk= 130, nxpk= 17, iat= 982,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HA           71 LEU  HN          4.50    (#    131:17  Unique         2.76, 2.86 A)
 &rst
  ixpk= 131, nxpk= 17, iat=1037,1035, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ALA  MB           70 ALA  HN          2.80    (#    132:17  Unique         2.06, 2.89 A)
 &rst
  ixpk= 132, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=1029,1030,1031,
 &end
#
#   71 LEU  HB+          70 ALA  HN          6.00    (#    133:17  Unique         4.69, 5.69 A)
 &rst
  ixpk= 133, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1039,1040,
 &end
#
#   69 ASP  HB-          70 ALA  HN          4.50    (#    134:17  Unique         2.60, 3.30 A)
 &rst
  ixpk= 134, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1017,1018,
 &end
#
#   67 THR  HA           70 ALA  HN          4.50    (#    135:17  Unique         2.91, 3.04 A)
 &rst
  ixpk= 135, nxpk= 17, iat= 982,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ALA  HA           70 ALA  HN          3.50    (#    136:17  Unique         2.76, 2.82 A)
 &rst
  ixpk= 136, nxpk= 17, iat=1027,1025, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   69 ASP  HA           70 ALA  HN          4.50    (#    137:17  Unique         3.34, 3.49 A)
 &rst
  ixpk= 137, nxpk= 17, iat=1015,1025, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   71 LEU  HN           70 ALA  HN          2.80    (#    138:17  Unique         2.30, 2.67 A)
 &rst
  ixpk= 138, nxpk= 17, iat=1035,1025, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   68 LEU  HN           70 ALA  HN          6.00    (#    139:17  Unique         3.78, 4.00 A)
 &rst
  ixpk= 139, nxpk= 17, iat= 994,1025, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HE3           8 GLN  HN          4.50    (#    140:17  Unique         4.29, 4.50 A)
 &rst
  ixpk= 140, nxpk= 17, iat= 691,  95, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 THR  MG2          70 ALA  HN          6.00    (#    141:17  Unique         3.84, 5.25 A)
 &rst
  ixpk= 141, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 986, 987, 988,
 &end
#
#    0 AMB  17-2:142     70 ALA  HN          6.00    (#    142:17  Single Ambig)
 &rst
  ixpk= 142, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 &end
#
#   64 ALA  MB           68 LEU  HN          6.00    (#    144:17  Unique         4.67, 5.48 A)
 &rst
  ixpk= 144, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#    0 AMB  17-2:145     68 LEU  HN          4.50    (#    145:17  Single Ambig)
 &rst
  ixpk= 145, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 7.28, r4= 7.78,
 igr1=1003,1004,1005,1007,1008,1009,1044,1045,1046,1048,
      1049,1050,1044,1045,1046,1048,1049,1050,
 &end
#
#   67 THR  MG2          68 LEU  HN          6.00    (#    146:17  Unique         3.85, 4.56 A)
 &rst
  ixpk= 146, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 986, 987, 988,
 &end
#
#   68 LEU  HG           68 LEU  HN          3.50    (#    147:17  Unique         2.58, 2.91 A)
 &rst
  ixpk= 147, nxpk= 17, iat=1001, 994, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   68 LEU  HB+          68 LEU  HN          3.50    (#    148:17  Unique         2.14, 2.85 A)
 &rst
  ixpk= 148, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 998, 999,
 &end
#
#    6 PRO  HB-          68 LEU  HN          6.00    (#    149:17  Unique         5.11, 5.87 A)
 &rst
  ixpk= 149, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#    6 PRO  HG+          68 LEU  HN          6.00    (#    150:17  Unique         3.36, 3.83 A)
 &rst
  ixpk= 150, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 &end
#
#   69 ASP  HB+          68 LEU  HN          6.00    (#    151:17  Unique         4.71, 5.18 A)
 &rst
  ixpk= 151, nxpk= 17, iat=  -1, 994, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1017,1018,
 &end
#
#   64 ALA  HA           68 LEU  HN          6.00    (#    152:17  Unique         3.86, 4.04 A)
 &rst
  ixpk= 152, nxpk= 17, iat= 936, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 ARG  HA           68 LEU  HN          6.00    (#    153:17  Unique         3.17, 3.36 A)
 &rst
  ixpk= 153, nxpk= 17, iat= 946, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HA           68 LEU  HN          4.50    (#    154:17  Unique         3.44, 3.49 A)
 &rst
  ixpk= 154, nxpk= 17, iat= 982, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   67 THR  HB           68 LEU  HN          4.50    (#    155:17  Unique         2.72, 2.88 A)
 &rst
  ixpk= 155, nxpk= 17, iat= 984, 994, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HA           68 LEU  HN          6.00    (#    156:17  Unique         4.17, 4.38 A)
 &rst
  ixpk= 156, nxpk= 17, iat= 970, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   70 ALA  HN           68 LEU  HN          6.00    (#    157:17  Unique         3.78, 4.00 A)
 &rst
  ixpk= 157, nxpk= 17, iat=1025, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ASP  HN           68 LEU  HN          2.80    (#    158:17  Unique         2.68, 2.76 A)
 &rst
  ixpk= 158, nxpk= 17, iat=1013, 994, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   66 ASP  HN           68 LEU  HN          6.00    (#    159:17  Unique         3.71, 3.92 A)
 &rst
  ixpk= 159, nxpk= 17, iat= 968, 994, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 LEU  HN           67 THR  HN          4.50    (#    160:17  Unique         2.18, 2.30 A)
 &rst
  ixpk= 160, nxpk= 17, iat= 994, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   66 ASP  HA           67 THR  HN          6.00    (#    161:17  Unique         3.43, 3.47 A)
 &rst
  ixpk= 161, nxpk= 17, iat= 970, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  HB           67 THR  HN          3.50    (#    162:17  Unique         2.48, 2.51 A)
 &rst
  ixpk= 162, nxpk= 17, iat= 984, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   67 THR  HA           67 THR  HN          4.50    (#    163:17  Unique         2.86, 2.90 A)
 &rst
  ixpk= 163, nxpk= 17, iat= 982, 980, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ALA  HA           67 THR  HN          6.00    (#    164:17  Unique         3.30, 3.39 A)
 &rst
  ixpk= 164, nxpk= 17, iat= 936, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ASP  HB-          67 THR  HN          4.50    (#    165:17  Unique         2.68, 3.34 A)
 &rst
  ixpk= 165, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 972, 973,
 &end
#
#   63 GLU  HB+          67 THR  HN          6.00    (#    166:17  Unique         4.92, 5.68 A)
 &rst
  ixpk= 166, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 923, 924,
 &end
#
#    0 AMB  17-2:167     67 THR  HN          6.00    (#    167:17  Single Ambig)
 &rst
  ixpk= 167, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 998, 999, 948, 949,
 &end
#
#   68 LEU  HG           67 THR  HN          6.00    (#    168:17  Unique         4.05, 4.76 A)
 &rst
  ixpk= 168, nxpk= 17, iat=1001, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   67 THR  MG2          67 THR  HN          6.00    (#    169:17  Unique         4.40, 4.56 A)
 &rst
  ixpk= 169, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 986, 987, 988,
 &end
#
#    0 AMB  17-2:170     67 THR  HN          6.00    (#    170:17  Single Ambig)
 &rst
  ixpk= 170, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 8.65, r4= 9.15,
 igr1= 874, 875, 876, 721, 722, 723, 725, 726, 727,
 &end
#
#   66 ASP  HA           66 ASP  HN          3.50    (#    171:17  Unique         2.82, 2.85 A)
 &rst
  ixpk= 171, nxpk= 17, iat= 970, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   65 ARG  HA           66 ASP  HN          4.50    (#    172:17  Unique         3.46, 3.50 A)
 &rst
  ixpk= 172, nxpk= 17, iat= 946, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   63 GLU  HA           66 ASP  HN          4.50    (#    173:17  Unique         3.31, 3.45 A)
 &rst
  ixpk= 173, nxpk= 17, iat= 921, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ALA  HA           66 ASP  HN          6.00    (#    174:17  Unique         4.00, 4.21 A)
 &rst
  ixpk= 174, nxpk= 17, iat= 936, 968, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:175     66 ASP  HN          6.00    (#    175:17  Single Ambig)
 &rst
  ixpk= 175, nxpk= 17, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 954, 955, 954, 955,
 &end
#
#   66 ASP  HB-          66 ASP  HN          2.80    (#    176:17  Unique         2.17, 2.58 A)
 &rst
  ixpk= 176, nxpk= 17, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 972, 973,
 &end
#
#   65 ARG  HB+          66 ASP  HN          2.80    (#    177:17  Unique         2.62, 3.36 A)
 &rst
  ixpk= 177, nxpk= 17, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 948, 949,
 &end
#
#   65 ARG  HG+          66 ASP  HN          4.50    (#    178:17  Unique         3.42, 4.50 A)
 &rst
  ixpk= 178, nxpk= 17, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   64 ALA  MB           66 ASP  HN          6.00    (#    179:17  Unique         4.76, 5.37 A)
 &rst
  ixpk= 179, nxpk= 17, iat=  -1, 968, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#   65 ARG  HA           65 ARG  HN          4.50    (#    180:17  Unique         2.77, 2.81 A)
 &rst
  ixpk= 180, nxpk= 17, iat= 946, 944, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   64 ALA  HA           65 ARG  HN          6.00    (#    181:17  Unique         3.50, 3.54 A)
 &rst
  ixpk= 181, nxpk= 17, iat= 936, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ALA  HA           65 ARG  HN          6.00    (#    182:17  Unique         3.38, 3.52 A)
 &rst
  ixpk= 182, nxpk= 17, iat= 911, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ALA  HN           65 ARG  HN          2.80    (#    183:17  Unique         2.63, 2.76 A)
 &rst
  ixpk= 183, nxpk= 17, iat= 934, 944, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   65 ARG  HB+          65 ARG  HN          3.50    (#    184:17  Unique         2.25, 2.83 A)
 &rst
  ixpk= 184, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 948, 949,
 &end
#
#   65 ARG  HG+          65 ARG  HN          4.50    (#    185:17  Unique         2.04, 3.51 A)
 &rst
  ixpk= 185, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 951, 952,
 &end
#
#   64 ALA  MB           65 ARG  HN          4.50    (#    186:17  Unique         2.40, 3.39 A)
 &rst
  ixpk= 186, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 938, 939, 940,
 &end
#
#   63 GLU  HA           64 ALA  HN          6.00    (#    187:17  Unique         3.50, 3.54 A)
 &rst
  ixpk= 187, nxpk= 17, iat= 921, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   64 ALA  HA           64 ALA  HN          6.00    (#    188:17  Unique         2.76, 2.79 A)
 &rst
  ixpk= 188, nxpk= 17, iat= 936, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GLU  HA           64 ALA  HN          6.00    (#    189:17  Unique         3.74, 3.84 A)
 &rst
  ixpk= 189, nxpk= 17, iat= 896, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 GLU  HN           64 ALA  HN          2.80    (#    190:17  Unique         2.78, 2.86 A)
 &rst
  ixpk= 190, nxpk= 17, iat= 919, 934, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  17-2:191     64 ALA  HN          6.00    (#    191:17  Single Ambig)
 &rst
  ixpk= 191, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 926, 927,  78,  79,
 &end
#
#   63 GLU  HB+          64 ALA  HN          4.50    (#    192:17  Unique         2.42, 3.00 A)
 &rst
  ixpk= 192, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   63 GLU  HB-          64 ALA  HN          4.50    (#    193:17  Unique         2.42, 3.00 A)
 &rst
  ixpk= 193, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   59 ILE  HG1-         64 ALA  HN          6.00    (#    194:17  Unique         3.20, 4.30 A)
 &rst
  ixpk= 194, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#   64 ALA  MB           64 ALA  HN          3.50    (#    195:17  Unique         2.17, 2.88 A)
 &rst
  ixpk= 195, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 938, 939, 940,
 &end
#
#   61 GLU  HN           64 ALA  HN          6.00    (#    196:17  Unique         5.10, 5.21 A)
 &rst
  ixpk= 196, nxpk= 17, iat= 894, 934, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 GLU  HA           63 GLU  HN          4.50    (#    197:17  Unique         2.75, 2.75 A)
 &rst
  ixpk= 197, nxpk= 17, iat= 921, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ALA  HN           63 GLU  HN          3.50    (#    198:17  Unique         2.51, 2.61 A)
 &rst
  ixpk= 198, nxpk= 17, iat= 909, 919, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HN           63 GLU  HN          6.00    (#    199:17  Unique         3.33, 3.49 A)
 &rst
  ixpk= 199, nxpk= 17, iat= 880, 919, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 ASN  HB-          63 GLU  HN          6.00    (#    200:17  Unique         3.23, 4.17 A)
 &rst
  ixpk= 200, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 884, 885,
 &end
#
#   63 GLU  HG-          63 GLU  HN          6.00    (#    201:17  Unique         2.33, 3.18 A)
 &rst
  ixpk= 201, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 926, 927,
 &end
#
#    0 AMB  17-2:202     63 GLU  HN          4.50    (#    202:17  Single Ambig)
 &rst
  ixpk= 202, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924, 926, 927,
 &end
#
#   63 GLU  HB-          63 GLU  HN          4.50    (#    203:17  Unique         2.21, 2.93 A)
 &rst
  ixpk= 203, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 923, 924,
 &end
#
#   62 ALA  MB           63 GLU  HN          4.50    (#    204:17  Unique         2.18, 3.14 A)
 &rst
  ixpk= 204, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 913, 914, 915,
 &end
#
#   59 ILE  MD1          63 GLU  HN          6.00    (#    205:17  Unique         3.90, 5.11 A)
 &rst
  ixpk= 205, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 874, 875, 876,
 &end
#
#   62 ALA  HA           62 ALA  HN          3.50    (#    206:17  Unique         2.86, 2.88 A)
 &rst
  ixpk= 206, nxpk= 17, iat= 911, 909, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   60 ASN  HA           62 ALA  HN          6.00    (#    207:17  Unique         4.19, 4.25 A)
 &rst
  ixpk= 207, nxpk= 17, iat= 882, 909, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   63 GLU  HN           62 ALA  HN          2.80    (#    208:17  Unique         2.51, 2.61 A)
 &rst
  ixpk= 208, nxpk= 17, iat= 919, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   61 GLU  HN           62 ALA  HN          2.80    (#    209:17  Unique         2.42, 2.44 A)
 &rst
  ixpk= 209, nxpk= 17, iat= 894, 909, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   60 ASN  HB+          62 ALA  HN          4.50    (#    210:17  Unique         2.05, 2.88 A)
 &rst
  ixpk= 210, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
#   60 ASN  HB-          62 ALA  HN          4.50    (#    211:17  Unique         2.05, 2.88 A)
 &rst
  ixpk= 211, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
#    0 AMB  17-2:212     62 ALA  HN          3.50    (#    212:17  Single Ambig)
 &rst
  ixpk= 212, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 898, 899, 901, 902,
 &end
#
#   63 GLU  HG-          62 ALA  HN          6.00    (#    213:17  Unique         4.45, 5.51 A)
 &rst
  ixpk= 213, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 926, 927,
 &end
#
#   62 ALA  MB           62 ALA  HN          2.80    (#    214:17  Unique         2.52, 2.92 A)
 &rst
  ixpk= 214, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 913, 914, 915,
 &end
#
#   59 ILE  HG1+         62 ALA  HN          6.00    (#    215:17  Unique         5.39, 6.36 A)
 &rst
  ixpk= 215, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#   64 ALA  MB           62 ALA  HN          6.00    (#    216:17  Unique         4.71, 5.81 A)
 &rst
  ixpk= 216, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#   61 GLU  HG+          61 GLU  HN          2.80    (#    217:17  Unique         1.93, 2.38 A)
 &rst
  ixpk= 217, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 901, 902,
 &end
#
#    0 AMB  17-2:218     61 GLU  HN          6.00    (#    218:17  Single Ambig)
 &rst
  ixpk= 218, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 913, 914, 915, 871, 872,
 &end
#
#   64 ALA  MB           61 GLU  HN          6.00    (#    219:17  Unique         5.18, 6.28 A)
 &rst
  ixpk= 219, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 938, 939, 940,
 &end
#
#   60 ASN  HB-          61 GLU  HN          3.50    (#    220:17  Unique         2.20, 2.40 A)
 &rst
  ixpk= 220, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 884, 885,
 &end
#
#   60 ASN  HB+          61 GLU  HN          3.50    (#    221:17  Unique         2.20, 2.40 A)
 &rst
  ixpk= 221, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 884, 885,
 &end
#
#   60 ASN  HA           61 GLU  HN          2.80    (#    222:17  Unique         2.69, 2.71 A)
 &rst
  ixpk= 222, nxpk= 17, iat= 882, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 TRP  HD1          61 GLU  HN          6.00    (#    223:17  Unique         4.09, 4.22 A)
 &rst
  ixpk= 223, nxpk= 17, iat= 680, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ALA  HN           61 GLU  HN          2.80    (#    224:17  Unique         2.42, 2.44 A)
 &rst
  ixpk= 224, nxpk= 17, iat= 909, 894, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   59 ILE  HG1+         60 ASN  HN          4.50    (#    225:17  Unique         2.77, 3.51 A)
 &rst
  ixpk= 225, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 871, 872,
 &end
#
#   58 VAL  MGY          60 ASN  HN          6.00    (#    226:17  Unique         5.49, 7.67 A)
 &rst
  ixpk= 226, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   59 ILE  HG1-         60 ASN  HN          6.00    (#    227:17  Unique         2.77, 3.51 A)
 &rst
  ixpk= 227, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#   59 ILE  HB           60 ASN  HN          3.50    (#    228:17  Unique         1.90, 1.93 A)
 &rst
  ixpk= 228, nxpk= 17, iat= 865, 880, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:229     60 ASN  HN          4.50    (#    229:17  Single Ambig)
 &rst
  ixpk= 229, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 923, 924, 926, 927,
 &end
#
#   63 GLU  HG-          60 ASN  HN          6.00    (#    230:17  Unique         2.86, 3.71 A)
 &rst
  ixpk= 230, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 926, 927,
 &end
#
#   60 ASN  HB-          60 ASN  HN          4.50    (#    231:17  Unique         3.10, 3.38 A)
 &rst
  ixpk= 231, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
#   60 ASN  HB+          60 ASN  HN          4.50    (#    232:17  Unique         3.10, 3.38 A)
 &rst
  ixpk= 232, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 884, 885,
 &end
#
#   63 GLU  HA           60 ASN  HN          6.00    (#    233:17  Unique         5.19, 5.40 A)
 &rst
  ixpk= 233, nxpk= 17, iat= 921, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HA           59 ILE  HN          4.50    (#    235:17  Unique         2.33, 2.70 A)
 &rst
  ixpk= 235, nxpk= 17, iat= 698, 861, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  HA           59 ILE  HN          2.80    (#    236:17  Unique         2.14, 2.16 A)
 &rst
  ixpk= 236, nxpk= 17, iat= 847, 861, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 TRP  HB+          59 ILE  HN          6.00    (#    237:17  Unique         4.10, 4.67 A)
 &rst
  ixpk= 237, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   47 TRP  HB-          59 ILE  HN          6.00    (#    238:17  Unique         4.10, 4.67 A)
 &rst
  ixpk= 238, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#    0 AMB  17-2:239     89 GLU  HN          3.50    (#    239:17  Single Ambig)
 &rst
  ixpk= 239, nxpk= 17, iat=  -1,1305, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1309,1310,1294,1295,
 &end
#
#   59 ILE  HG1-         59 ILE  HN          4.50    (#    240:17  Unique         2.01, 2.70 A)
 &rst
  ixpk= 240, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 871, 872,
 &end
#
#   58 VAL  MGY          59 ILE  HN          3.50    (#    241:17  Unique         2.36, 4.41 A)
 &rst
  ixpk= 241, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   59 ILE  HG1+         59 ILE  HN          2.80    (#    242:17  Unique         2.01, 2.70 A)
 &rst
  ixpk= 242, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 871, 872,
 &end
#
#   57 SER  HN           58 VAL  HN          6.00    (#    243:17  Unique         4.16, 4.25 A)
 &rst
  ixpk= 243, nxpk= 17, iat= 834, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HA           58 VAL  HN          6.00    (#    244:17  Unique         4.87, 5.24 A)
 &rst
  ixpk= 244, nxpk= 17, iat= 698, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  HA           58 VAL  HN          6.00    (#    245:17  Unique         2.89, 2.91 A)
 &rst
  ixpk= 245, nxpk= 17, iat= 847, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   57 SER  HA           58 VAL  HN          3.50    (#    246:17  Unique         2.19, 2.29 A)
 &rst
  ixpk= 246, nxpk= 17, iat= 836, 845, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HB+          58 VAL  HN          4.50    (#    247:17  Unique         2.27, 3.50 A)
 &rst
  ixpk= 247, nxpk= 17, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 838, 839,
 &end
#
#   33 VAL  HB           58 VAL  HN          6.00    (#    248:17  Unique         4.76, 5.47 A)
 &rst
  ixpk= 248, nxpk= 17, iat= 488, 845, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   58 VAL  HB           58 VAL  HN          4.50    (#    249:17  Unique         2.45, 2.62 A)
 &rst
  ixpk= 249, nxpk= 17, iat= 849, 845, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  MGY          58 VAL  HN          6.00    (#    250:17  Unique         1.96, 3.85 A)
 &rst
  ixpk= 250, nxpk= 17, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  MGX          58 VAL  HN          4.50    (#    251:17  Unique         1.96, 3.85 A)
 &rst
  ixpk= 251, nxpk= 17, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   33 VAL  MGY          58 VAL  HN          4.50    (#    252:17  Unique         2.95, 5.11 A)
 &rst
  ixpk= 252, nxpk= 17, iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   48 VAL  MGY          57 SER  HN          4.50    (#    253:17  Unique         2.27, 4.71 A)
 &rst
  ixpk= 253, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   49 LEU  MDX          57 SER  HN          3.50    (#    254:17  Unique         2.24, 5.26 A)
 &rst
  ixpk= 254, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#   55 ALA  MB           57 SER  HN          4.50    (#    255:17  Unique         3.65, 4.65 A)
 &rst
  ixpk= 255, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 811, 812, 813,
 &end
#
#   49 LEU  HB+          57 SER  HN          3.50    (#    256:17  Unique         2.54, 3.90 A)
 &rst
  ixpk= 256, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 716, 717,
 &end
#
#   56 MET  HB+          57 SER  HN          4.50    (#    257:17  Unique         2.39, 2.83 A)
 &rst
  ixpk= 257, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 MET  HB-          57 SER  HN          4.50    (#    258:17  Unique         2.39, 2.83 A)
 &rst
  ixpk= 258, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 MET  HG+          57 SER  HN          6.00    (#    259:17  Unique         4.36, 4.85 A)
 &rst
  ixpk= 259, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 824, 825,
 &end
#
#   57 SER  HB+          57 SER  HN          6.00    (#    260:17  Unique         2.88, 3.43 A)
 &rst
  ixpk= 260, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 838, 839,
 &end
#
#   57 SER  HA           57 SER  HN          3.50    (#    261:17  Unique         2.80, 2.83 A)
 &rst
  ixpk= 261, nxpk= 17, iat= 836, 834, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   56 MET  HA           57 SER  HN          4.50    (#    262:17  Unique         3.56, 3.56 A)
 &rst
  ixpk= 262, nxpk= 17, iat= 819, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   48 VAL  HA           57 SER  HN          6.00    (#    264:17  Unique         4.06, 4.35 A)
 &rst
  ixpk= 264, nxpk= 17, iat= 698, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HN           57 SER  HN          4.50    (#    265:17  Unique         2.76, 3.14 A)
 &rst
  ixpk= 265, nxpk= 17, iat= 712, 834, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   58 VAL  HN           57 SER  HN          6.00    (#    266:17  Unique         4.16, 4.25 A)
 &rst
  ixpk= 266, nxpk= 17, iat= 845, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PHE  HA           55 ALA  HN          2.80    (#    268:17  Unique         2.31, 2.68 A)
 &rst
  ixpk= 268, nxpk= 17, iat= 789, 807, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   30 LEU  HA           55 ALA  HN          6.00    (#    270:17  Unique         3.13, 3.54 A)
 &rst
  ixpk= 270, nxpk= 17, iat= 434, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:271     55 ALA  HN          6.00    (#    271:17  Single Ambig)
 &rst
  ixpk= 271, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 420, 780,
 &end
#
#   54 PHE  HN           55 ALA  HN          6.00    (#    273:17  Unique         4.32, 4.35 A)
 &rst
  ixpk= 273, nxpk= 17, iat= 787, 807, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:274     55 ALA  HN          6.00    (#    274:17  Single Ambig)
 &rst
  ixpk= 274, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 467, 406,
 &end
#
#   54 PHE  HB+          55 ALA  HN          6.00    (#    275:17  Unique         1.91, 2.50 A)
 &rst
  ixpk= 275, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 791, 792,
 &end
#
#   54 PHE  HB-          55 ALA  HN          4.50    (#    276:17  Unique         1.91, 2.50 A)
 &rst
  ixpk= 276, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   29 ASP  HB-          55 ALA  HN          6.00    (#    277:17  Unique         3.61, 4.53 A)
 &rst
  ixpk= 277, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 425,
 &end
#
#   55 ALA  MB           55 ALA  HN          3.50    (#    278:17  Unique         2.20, 2.99 A)
 &rst
  ixpk= 278, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 811, 812, 813,
 &end
#
#   32 LEU  MDY          55 ALA  HN          4.50    (#    279:17  Unique         2.45, 4.70 A)
 &rst
  ixpk= 279, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   30 LEU  MDY          55 ALA  HN          6.00    (#    280:17  Unique         4.08, 6.64 A)
 &rst
  ixpk= 280, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   49 LEU  MDY          56 MET  HN          6.00    (#    281:17  Unique         3.98, 6.51 A)
 &rst
  ixpk= 281, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#    0 AMB  17-2:282     56 MET  HN          6.00    (#    282:17  Single Ambig)
 &rst
  ixpk= 282, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 474, 475, 476, 478, 479, 480, 737, 738, 739, 741,
       742, 743,
 &end
#
#    0 AMB  17-2:283     56 MET  HN          4.50    (#    283:17  Single Ambig)
 &rst
  ixpk= 283, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.88, r4= 6.38,
 igr1= 811, 812, 813, 716, 717,
 &end
#
#   49 LEU  HB+          56 MET  HN          6.00    (#    284:17  Unique         3.25, 4.17 A)
 &rst
  ixpk= 284, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#   56 MET  HB-          56 MET  HN          4.50    (#    285:17  Unique         2.06, 2.66 A)
 &rst
  ixpk= 285, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 MET  HB+          56 MET  HN          4.50    (#    286:17  Unique         2.06, 2.66 A)
 &rst
  ixpk= 286, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 821, 822,
 &end
#
#   56 MET  HG+          56 MET  HN          4.50    (#    287:17  Unique         3.35, 3.99 A)
 &rst
  ixpk= 287, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 824, 825,
 &end
#
#   56 MET  HG-          56 MET  HN          6.00    (#    288:17  Unique         3.35, 3.99 A)
 &rst
  ixpk= 288, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 824, 825,
 &end
#
#   51 HIS  HB+          56 MET  HN          6.00    (#    289:17  Unique         2.37, 3.65 A)
 &rst
  ixpk= 289, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   56 MET  HA           56 MET  HN          4.50    (#    290:17  Unique         2.76, 2.84 A)
 &rst
  ixpk= 290, nxpk= 17, iat= 819, 817, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:291     56 MET  HN          6.00    (#    291:17  Single Ambig)
 &rst
  ixpk= 291, nxpk= 17, iat=  -1, 817, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 836, 714,
 &end
#
#   55 ALA  HA           56 MET  HN          3.50    (#    292:17  Unique         2.14, 2.17 A)
 &rst
  ixpk= 292, nxpk= 17, iat= 809, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   57 SER  HN           56 MET  HN          3.50    (#    293:17  Unique         2.39, 2.68 A)
 &rst
  ixpk= 293, nxpk= 17, iat= 834, 817, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  MG2          12 ILE  HN          6.00    (#    294:17  Unique         4.80, 5.59 A)
 &rst
  ixpk= 294, nxpk= 17, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   12 ILE  MD1          12 ILE  HN          6.00    (#    295:17  Unique         2.77, 4.08 A)
 &rst
  ixpk= 295, nxpk= 17, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 182, 183, 184,
 &end
#
#   11 THR  MG2          12 ILE  HN          4.50    (#    296:17  Unique         3.11, 3.79 A)
 &rst
  ixpk= 296, nxpk= 17, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 161, 162, 163,
 &end
#
#   12 ILE  HG1-         12 ILE  HN          4.50    (#    297:17  Unique         3.00, 3.76 A)
 &rst
  ixpk= 297, nxpk= 17, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#   12 ILE  HB           12 ILE  HN          3.50    (#    298:17  Unique         2.76, 2.80 A)
 &rst
  ixpk= 298, nxpk= 17, iat= 173, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 THR  HB           12 ILE  HN          3.50    (#    299:17  Unique         3.53, 3.65 A)
 &rst
  ixpk= 299, nxpk= 17, iat= 159, 169, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 THR  HA           12 ILE  HN          2.80    (#    300:17  Unique         2.15, 2.16 A)
 &rst
  ixpk= 300, nxpk= 17, iat= 157, 169, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   17 ALA  HA           12 ILE  HN          6.00    (#    301:17  Unique         4.52, 4.56 A)
 &rst
  ixpk= 301, nxpk= 17, iat= 240, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 THR  HN           12 ILE  HN          6.00    (#    302:17  Unique         4.41, 4.44 A)
 &rst
  ixpk= 302, nxpk= 17, iat= 155, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HA           12 ILE  HN          4.50    (#    303:17  Unique         2.94, 2.94 A)
 &rst
  ixpk= 303, nxpk= 17, iat= 171, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  HA           53 GLY  HN          4.50    (#    304:17  Unique         3.50, 3.54 A)
 &rst
  ixpk= 304, nxpk= 17, iat= 766, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HA-          53 GLY  HN          2.80    (#    305:17  Unique         2.68, 2.80 A)
 &rst
  ixpk= 305, nxpk= 17, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 782, 783,
 &end
#
#   53 GLY  HA+          53 GLY  HN          4.50    (#    306:17  Unique         2.68, 2.80 A)
 &rst
  ixpk= 306, nxpk= 17, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 782, 783,
 &end
#
#   52 VAL  HB           53 GLY  HN          4.50    (#    307:17  Unique         2.43, 2.92 A)
 &rst
  ixpk= 307, nxpk= 17, iat= 768, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  MGY          53 GLY  HN          4.50    (#    308:17  Unique         1.94, 4.29 A)
 &rst
  ixpk= 308, nxpk= 17, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  MGX          53 GLY  HN          6.00    (#    309:17  Unique         1.94, 4.29 A)
 &rst
  ixpk= 309, nxpk= 17, iat=  -1, 780, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   54 PHE  HN           53 GLY  HN          4.50    (#    310:17  Unique         1.83, 1.89 A)
 &rst
  ixpk= 310, nxpk= 17, iat= 787, 780, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  HN           53 GLY  HN          6.00    (#    311:17  Unique         2.81, 2.89 A)
 &rst
  ixpk= 311, nxpk= 17, iat= 764, 780, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 HIS  HA           52 VAL  HN          4.50    (#    312:17  Unique         2.53, 2.54 A)
 &rst
  ixpk= 312, nxpk= 17, iat= 749, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  HA           52 VAL  HN          4.50    (#    313:17  Unique         2.70, 2.73 A)
 &rst
  ixpk= 313, nxpk= 17, iat= 766, 764, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   52 VAL  HB           52 VAL  HN          6.00    (#    314:17  Unique         2.57, 2.85 A)
 &rst
  ixpk= 314, nxpk= 17, iat= 768, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 HIS  HB-          52 VAL  HN          6.00    (#    315:17  Unique         2.73, 3.35 A)
 &rst
  ixpk= 315, nxpk= 17, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   52 VAL  MGY          52 VAL  HN          6.00    (#    316:17  Unique         1.94, 3.56 A)
 &rst
  ixpk= 316, nxpk= 17, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   52 VAL  MGX          52 VAL  HN          6.00    (#    317:17  Unique         1.94, 3.56 A)
 &rst
  ixpk= 317, nxpk= 17, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 770, 771, 772, 774, 775, 776,
 &end
#
#   50 VAL  HA           51 HIS  HN          4.50    (#    318:17  Unique         2.14, 2.18 A)
 &rst
  ixpk= 318, nxpk= 17, iat= 733, 747, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   51 HIS  HA           51 HIS  HN          6.00    (#    319:17  Unique         2.93, 2.95 A)
 &rst
  ixpk= 319, nxpk= 17, iat= 749, 747, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 HIS  HB+          51 HIS  HN          6.00    (#    320:17  Unique         2.41, 2.85 A)
 &rst
  ixpk= 320, nxpk= 17, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   51 HIS  HB-          51 HIS  HN          6.00    (#    321:17  Unique         2.41, 2.85 A)
 &rst
  ixpk= 321, nxpk= 17, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   54 PHE  HN           51 HIS  HN          6.00    (#    322:17  Unique         3.40, 3.95 A)
 &rst
  ixpk= 322, nxpk= 17, iat= 787, 747, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:323     51 HIS  HN          6.00    (#    323:17  Single Ambig)
 &rst
  ixpk= 323, nxpk= 17, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,  45,  46,  47,
 &end
#
#   50 VAL  MGX          51 HIS  HN          4.50    (#    324:17  Unique         2.20, 4.32 A)
 &rst
  ixpk= 324, nxpk= 17, iat=  -1, 747, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#   49 LEU  MDY          50 VAL  HN          4.50    (#    325:17  Unique         2.64, 5.19 A)
 &rst
  ixpk= 325, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 721, 722, 723, 725, 726, 727,
 &end
#
#   50 VAL  MGY          50 VAL  HN          3.50    (#    326:17  Unique         1.94, 3.65 A)
 &rst
  ixpk= 326, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#    0 AMB  17-2:327     50 VAL  HN          6.00    (#    327:17  Single Ambig)
 &rst
  ixpk= 327, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#   49 LEU  HB-          50 VAL  HN          6.00    (#    328:17  Unique         2.49, 3.22 A)
 &rst
  ixpk= 328, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#   49 LEU  HB+          50 VAL  HN          6.00    (#    329:17  Unique         2.49, 3.22 A)
 &rst
  ixpk= 329, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#    5 VAL  HB           50 VAL  HN          6.00    (#    330:17  Unique         4.79, 5.89 A)
 &rst
  ixpk= 330, nxpk= 17, iat=  62, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 VAL  HB           50 VAL  HN          4.50    (#    331:17  Unique         2.42, 2.93 A)
 &rst
  ixpk= 331, nxpk= 17, iat= 735, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   49 LEU  HA           50 VAL  HN          3.50    (#    332:17  Unique         2.21, 2.31 A)
 &rst
  ixpk= 332, nxpk= 17, iat= 714, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:333     50 VAL  HN          6.00    (#    333:17  Single Ambig)
 &rst
  ixpk= 333, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  53,  54,  53,  54,
 &end
#
#    6 PRO  HA           50 VAL  HN          6.00    (#    334:17  Unique         2.86, 3.29 A)
 &rst
  ixpk= 334, nxpk= 17, iat=  84, 731, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 VAL  HN           50 VAL  HN          4.50    (#    335:17  Unique         2.67, 3.61 A)
 &rst
  ixpk= 335, nxpk= 17, iat=  58, 731, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:336     50 VAL  HN          6.00    (#    336:17  Single Ambig)
 &rst
  ixpk= 336, nxpk= 17, iat=  -1, 731, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  88, 817,
 &end
#
#   49 LEU  HB-          49 LEU  HN          6.00    (#    337:17  Unique         2.23, 3.03 A)
 &rst
  ixpk= 337, nxpk= 17, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 716, 717,
 &end
#
#   49 LEU  HG           49 LEU  HN          4.50    (#    338:17  Unique         2.12, 2.90 A)
 &rst
  ixpk= 338, nxpk= 17, iat= 719, 712, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ILE  HG1-         46 GLN  HN          4.50    (#    339:17  Unique         5.01, 5.91 A)
 &rst
  ixpk= 339, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 122, 123,
 &end
#
#   57 SER  HN           49 LEU  HN          6.00    (#    342:17  Unique         2.76, 3.14 A)
 &rst
  ixpk= 342, nxpk= 17, iat= 834, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  MGX          48 VAL  HN          6.00    (#    344:17  Unique         3.17, 4.73 A)
 &rst
  ixpk= 344, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   48 VAL  MGX          48 VAL  HN          3.50    (#    345:17  Unique         2.12, 4.00 A)
 &rst
  ixpk= 345, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   48 VAL  MGY          48 VAL  HN          4.50    (#    346:17  Unique         2.12, 4.00 A)
 &rst
  ixpk= 346, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#    9 ILE  HG1-         48 VAL  HN          6.00    (#    348:17  Unique         3.16, 3.77 A)
 &rst
  ixpk= 348, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 122, 123,
 &end
#
#   48 VAL  HB           48 VAL  HN          6.00    (#    349:17  Unique         3.23, 3.39 A)
 &rst
  ixpk= 349, nxpk= 17, iat= 700, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HB+          48 VAL  HN          6.00    (#    350:17  Unique         4.13, 4.83 A)
 &rst
  ixpk= 350, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#   47 TRP  HB-          48 VAL  HN          6.00    (#    351:17  Unique         2.17, 3.09 A)
 &rst
  ixpk= 351, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   47 TRP  HB+          48 VAL  HN          6.00    (#    352:17  Unique         2.17, 3.09 A)
 &rst
  ixpk= 352, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#    8 GLN  HA           48 VAL  HN          6.00    (#    353:17  Unique         3.69, 3.84 A)
 &rst
  ixpk= 353, nxpk= 17, iat=  97, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   49 LEU  HA           48 VAL  HN          6.00    (#    354:17  Unique         4.61, 4.73 A)
 &rst
  ixpk= 354, nxpk= 17, iat= 714, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HA           48 VAL  HN          2.80    (#    356:17  Unique         2.27, 2.41 A)
 &rst
  ixpk= 356, nxpk= 17, iat= 674, 696, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   48 VAL  HA           48 VAL  HN          6.00    (#    357:17  Unique         2.87, 2.91 A)
 &rst
  ixpk= 357, nxpk= 17, iat= 698, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HE3          48 VAL  HN          6.00    (#    358:17  Unique         3.77, 4.08 A)
 &rst
  ixpk= 358, nxpk= 17, iat= 691, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:359     48 VAL  HN          6.00    (#    359:17  Single Ambig)
 &rst
  ixpk= 359, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 112, 672,
 &end
#
#    7 GLY  HN           48 VAL  HN          3.50    (#    360:17  Unique         2.50, 2.90 A)
 &rst
  ixpk= 360, nxpk= 17, iat=  88, 696, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  MGX          47 TRP  HN          6.00    (#    361:17  Unique         3.86, 6.60 A)
 &rst
  ixpk= 361, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   58 VAL  MGY          47 TRP  HN          6.00    (#    362:17  Unique         3.86, 6.60 A)
 &rst
  ixpk= 362, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 851, 852, 853, 855, 856, 857,
 &end
#
#   59 ILE  HG1-         47 TRP  HN          6.00    (#    363:17  Unique         3.30, 4.03 A)
 &rst
  ixpk= 363, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#   46 GLN  HB-          47 TRP  HN          4.50    (#    364:17  Unique         2.70, 3.54 A)
 &rst
  ixpk= 364, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 659, 660,
 &end
#
#    0 AMB  17-2:365     47 TRP  HN          3.50    (#    365:17  Single Ambig)
 &rst
  ixpk= 365, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 662, 663, 662, 663,
 &end
#
#   47 TRP  HB-          47 TRP  HN          4.50    (#    366:17  Unique         2.36, 3.00 A)
 &rst
  ixpk= 366, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 676, 677,
 &end
#
#   47 TRP  HB+          47 TRP  HN          3.50    (#    367:17  Unique         2.36, 3.00 A)
 &rst
  ixpk= 367, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 676, 677,
 &end
#
#    8 GLN  HA           47 TRP  HN          6.00    (#    368:17  Unique         4.82, 4.92 A)
 &rst
  ixpk= 368, nxpk= 17, iat=  97, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 GLN  HA           47 TRP  HN          2.80    (#    369:17  Unique         2.23, 2.26 A)
 &rst
  ixpk= 369, nxpk= 17, iat= 657, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 TRP  HA           47 TRP  HN          4.50    (#    370:17  Unique         2.92, 2.93 A)
 &rst
  ixpk= 370, nxpk= 17, iat= 674, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   47 TRP  HD1          47 TRP  HN          2.80    (#    371:17  Unique         2.58, 2.67 A)
 &rst
  ixpk= 371, nxpk= 17, iat= 680, 672, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   46 GLN  HN           47 TRP  HN          6.00    (#    372:17  Unique         4.60, 4.61 A)
 &rst
  ixpk= 372, nxpk= 17, iat= 655, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HN           47 TRP  HN          4.50    (#    373:17  Unique         4.51, 4.54 A)
 &rst
  ixpk= 373, nxpk= 17, iat= 696, 672, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HE2+         46 GLN  HN          6.00    (#    374:17  Unique         2.44, 4.23 A)
 &rst
  ixpk= 374, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 667, 668,
 &end
#
#   40 GLY  HA-          37 ASP  HN          6.00    (#    376:17  Unique         2.79, 4.45 A)
 &rst
  ixpk= 376, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 572, 573,
 &end
#
#   43 ARG  HN           37 ASP  HN          6.00    (#    377:17  Unique         3.88, 4.74 A)
 &rst
  ixpk= 377, nxpk= 17, iat= 608, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:380     45 GLY  HN          3.50    (#    380:17  Single Ambig)
 &rst
  ixpk= 380, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    0 AMB  17-2:381     45 GLY  HN          6.00    (#    381:17  Single Ambig)
 &rst
  ixpk= 381, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103, 615, 616,
 &end
#
#    0 AMB  17-2:382     45 GLY  HN          4.50    (#    382:17  Single Ambig)
 &rst
  ixpk= 382, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 116, 612, 613,
 &end
#
#   44 VAL  HB           45 GLY  HN          6.00    (#    383:17  Unique         2.69, 3.68 A)
 &rst
  ixpk= 383, nxpk= 17, iat= 636, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HA           45 GLY  HN          3.50    (#    384:17  Unique         3.49, 3.51 A)
 &rst
  ixpk= 384, nxpk= 17, iat= 634, 648, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   45 GLY  HA-          45 GLY  HN          3.50    (#    385:17  Unique         2.33, 2.63 A)
 &rst
  ixpk= 385, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 650, 651,
 &end
#
#   45 GLY  HA+          45 GLY  HN          3.50    (#    386:17  Unique         2.33, 2.63 A)
 &rst
  ixpk= 386, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 650, 651,
 &end
#
#   44 VAL  HN           45 GLY  HN          6.00    (#    387:17  Unique         2.85, 2.88 A)
 &rst
  ixpk= 387, nxpk= 17, iat= 632, 648, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   46 GLN  HN           45 GLY  HN          4.50    (#    388:17  Unique         2.19, 2.33 A)
 &rst
  ixpk= 388, nxpk= 17, iat= 655, 648, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:389     45 GLY  HN          6.00    (#    389:17  Single Ambig)
 &rst
  ixpk= 389, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 112, 672,
 &end
#
#   12 ILE  HG1+         44 VAL  HN          6.00    (#    390:17  Unique         3.60, 4.33 A)
 &rst
  ixpk= 390, nxpk= 17, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#    0 AMB  17-2:391     44 VAL  HN          3.50    (#    391:17  Single Ambig)
 &rst
  ixpk= 391, nxpk= 17, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    0 AMB  17-2:392     44 VAL  HN          4.50    (#    392:17  Single Ambig)
 &rst
  ixpk= 392, nxpk= 17, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 636, 601, 602,
 &end
#
#   42 PRO  HB+          44 VAL  HN          6.00    (#    393:17  Unique         2.26, 3.12 A)
 &rst
  ixpk= 393, nxpk= 17, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 601, 602,
 &end
#
#   44 VAL  HA           44 VAL  HN          6.00    (#    394:17  Unique         2.69, 2.72 A)
 &rst
  ixpk= 394, nxpk= 17, iat= 634, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:395     44 VAL  HN          6.00    (#    395:17  Single Ambig)
 &rst
  ixpk= 395, nxpk= 17, iat=  -1, 632, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 612, 613, 615, 616,
 &end
#
#   43 ARG  HA           44 VAL  HN          6.00    (#    396:17  Unique         3.27, 3.29 A)
 &rst
  ixpk= 396, nxpk= 17, iat= 610, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HN           43 ARG  HN          6.00    (#    397:17  Unique         2.32, 2.44 A)
 &rst
  ixpk= 397, nxpk= 17, iat= 632, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 CYS  HA           43 ARG  HN          6.00    (#    398:17  Unique         3.81, 4.31 A)
 &rst
  ixpk= 398, nxpk= 17, iat= 520, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HA           43 ARG  HN          4.50    (#    399:17  Unique         2.15, 2.20 A)
 &rst
  ixpk= 399, nxpk= 17, iat= 604, 608, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ARG  HA           43 ARG  HN          6.00    (#    400:17  Unique         2.87, 2.89 A)
 &rst
  ixpk= 400, nxpk= 17, iat= 610, 608, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:401     43 ARG  HN          6.00    (#    401:17  Single Ambig)
 &rst
  ixpk= 401, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 618, 619, 634,
 &end
#
#   43 ARG  HD-          43 ARG  HN          6.00    (#    402:17  Unique         3.98, 4.68 A)
 &rst
  ixpk= 402, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 618, 619,
 &end
#
#   42 PRO  HG+          43 ARG  HN          6.00    (#    403:17  Unique         4.69, 5.17 A)
 &rst
  ixpk= 403, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 598, 599,
 &end
#
#   42 PRO  HG-          43 ARG  HN          6.00    (#    404:17  Unique         4.69, 5.17 A)
 &rst
  ixpk= 404, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 598, 599,
 &end
#
#   42 PRO  HB-          43 ARG  HN          6.00    (#    405:17  Unique         3.01, 3.54 A)
 &rst
  ixpk= 405, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 601, 602,
 &end
#
#   42 PRO  HB+          43 ARG  HN          6.00    (#    406:17  Unique         3.01, 3.54 A)
 &rst
  ixpk= 406, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 601, 602,
 &end
#
#   43 ARG  HG+          43 ARG  HN          6.00    (#    407:17  Unique         1.96, 2.75 A)
 &rst
  ixpk= 407, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 615, 616,
 &end
#
#    0 AMB  17-2:408     43 ARG  HN          4.50    (#    408:17  Single Ambig)
 &rst
  ixpk= 408, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 615, 616, 612, 613,
 &end
#
#   12 ILE  MD1          43 ARG  HN          4.50    (#    409:17  Unique         1.95, 3.55 A)
 &rst
  ixpk= 409, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 182, 183, 184,
 &end
#
#   12 ILE  HG1+         43 ARG  HN          6.00    (#    410:17  Unique         3.36, 4.33 A)
 &rst
  ixpk= 410, nxpk= 17, iat=  -1, 608, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 179, 180,
 &end
#
#   40 GLY  HA-          41 GLN  HN          4.50    (#    411:17  Unique         3.07, 3.27 A)
 &rst
  ixpk= 411, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 572, 573,
 &end
#
#   40 GLY  HA+          41 GLN  HN          4.50    (#    412:17  Unique         3.07, 3.27 A)
 &rst
  ixpk= 412, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 572, 573,
 &end
#
#   41 GLN  HA           41 GLN  HN          4.50    (#    413:17  Unique         2.83, 2.86 A)
 &rst
  ixpk= 413, nxpk= 17, iat= 579, 577, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   36 CYS  HA           41 GLN  HN          6.00    (#    414:17  Unique         5.01, 5.45 A)
 &rst
  ixpk= 414, nxpk= 17, iat= 520, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ASN  HB+          41 GLN  HN          6.00    (#    415:17  Unique         3.15, 3.47 A)
 &rst
  ixpk= 415, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   39 ASN  HB-          41 GLN  HN          6.00    (#    416:17  Unique         3.15, 3.47 A)
 &rst
  ixpk= 416, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   37 ASP  HB-          41 GLN  HN          6.00    (#    417:17  Unique         1.94, 2.80 A)
 &rst
  ixpk= 417, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   37 ASP  HB+          41 GLN  HN          6.00    (#    418:17  Unique         1.94, 2.80 A)
 &rst
  ixpk= 418, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   41 GLN  HG+          41 GLN  HN          4.50    (#    419:17  Unique         2.40, 3.42 A)
 &rst
  ixpk= 419, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 584, 585,
 &end
#
#   41 GLN  HG-          41 GLN  HN          4.50    (#    420:17  Unique         2.40, 3.42 A)
 &rst
  ixpk= 420, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 584, 585,
 &end
#
#    0 AMB  17-2:421     41 GLN  HN          2.80    (#    421:17  Single Ambig)
 &rst
  ixpk= 421, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 3.53, r4= 4.03,
 igr1= 581, 582, 581, 582,
 &end
#
#   37 ASP  HN           41 GLN  HN          3.50    (#    422:17  Unique         3.08, 3.66 A)
 &rst
  ixpk= 422, nxpk= 17, iat= 529, 577, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   38 GLU  HN           41 GLN  HN          6.00    (#    423:17  Unique         4.46, 5.05 A)
 &rst
  ixpk= 423, nxpk= 17, iat= 541, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:424     40 GLY  HN          6.00    (#    424:17  Single Ambig)
 &rst
  ixpk= 424, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 581, 582, 581, 582,
 &end
#
#   36 CYS  HB-          40 GLY  HN          4.50    (#    425:17  Unique         3.94, 4.98 A)
 &rst
  ixpk= 425, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   39 ASN  HB-          40 GLY  HN          6.00    (#    426:17  Unique         3.27, 3.72 A)
 &rst
  ixpk= 426, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 560, 561,
 &end
#
#   39 ASN  HB+          40 GLY  HN          4.50    (#    427:17  Unique         3.27, 3.72 A)
 &rst
  ixpk= 427, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 560, 561,
 &end
#
#   37 ASP  HB+          40 GLY  HN          6.00    (#    428:17  Unique         2.38, 3.35 A)
 &rst
  ixpk= 428, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   40 GLY  HA-          40 GLY  HN          3.50    (#    429:17  Unique         2.35, 2.65 A)
 &rst
  ixpk= 429, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 572, 573,
 &end
#
#   40 GLY  HA+          40 GLY  HN          3.50    (#    430:17  Unique         2.35, 2.65 A)
 &rst
  ixpk= 430, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 572, 573,
 &end
#
#   39 ASN  HA           40 GLY  HN          6.00    (#    431:17  Unique         3.29, 3.32 A)
 &rst
  ixpk= 431, nxpk= 17, iat= 558, 570, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ASN  HD2-         40 GLY  HN          6.00    (#    432:17  Unique         4.26, 5.67 A)
 &rst
  ixpk= 432, nxpk= 17, iat=  -1, 570, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 565, 566,
 &end
#
#   38 GLU  HB+          39 ASN  HN          4.50    (#    433:17  Unique         2.69, 3.62 A)
 &rst
  ixpk= 433, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 545, 546,
 &end
#
#   37 ASP  HB-          39 ASN  HN          6.00    (#    435:17  Unique         2.48, 3.27 A)
 &rst
  ixpk= 435, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   39 ASN  HB-          39 ASN  HN          3.50    (#    436:17  Unique         2.19, 2.83 A)
 &rst
  ixpk= 436, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 560, 561,
 &end
#
#   39 ASN  HB+          39 ASN  HN          4.50    (#    437:17  Unique         2.19, 2.83 A)
 &rst
  ixpk= 437, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 560, 561,
 &end
#
#   37 ASP  HB+          39 ASN  HN          6.00    (#    438:17  Unique         2.48, 3.27 A)
 &rst
  ixpk= 438, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#   40 GLY  HA-          39 ASN  HN          6.00    (#    439:17  Unique         4.46, 4.74 A)
 &rst
  ixpk= 439, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 572, 573,
 &end
#
#   38 GLU  HA           39 ASN  HN          4.50    (#    440:17  Unique         3.29, 3.45 A)
 &rst
  ixpk= 440, nxpk= 17, iat= 543, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ASP  HA           39 ASN  HN          6.00    (#    441:17  Unique         4.00, 4.11 A)
 &rst
  ixpk= 441, nxpk= 17, iat= 531, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ASN  HA           39 ASN  HN          4.50    (#    442:17  Unique         2.91, 2.93 A)
 &rst
  ixpk= 442, nxpk= 17, iat= 558, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASN  HD2+         39 ASN  HN          6.00    (#    443:17  Unique         2.26, 3.93 A)
 &rst
  ixpk= 443, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 565, 566,
 &end
#
#   37 ASP  HN           39 ASN  HN          6.00    (#    444:17  Unique         4.33, 4.79 A)
 &rst
  ixpk= 444, nxpk= 17, iat= 529, 556, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ASN  HD2-         39 ASN  HN          6.00    (#    445:17  Unique         2.26, 3.93 A)
 &rst
  ixpk= 445, nxpk= 17, iat=  -1, 556, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 565, 566,
 &end
#
#   38 GLU  HN           39 ASN  HN          4.50    (#    446:17  Unique         2.50, 2.67 A)
 &rst
  ixpk= 446, nxpk= 17, iat= 541, 556, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:447     38 GLU  HN          4.50    (#    447:17  Single Ambig)
 &rst
  ixpk= 447, nxpk= 17, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 545, 546, 545, 546,
 &end
#
#    0 AMB  17-2:448     38 GLU  HN          4.50    (#    448:17  Single Ambig)
 &rst
  ixpk= 448, nxpk= 17, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 548, 549, 548, 549,
 &end
#
#   37 ASP  HB-          38 GLU  HN          4.50    (#    449:17  Unique         1.94, 3.44 A)
 &rst
  ixpk= 449, nxpk= 17, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 533, 534,
 &end
#
#   37 ASP  HB+          38 GLU  HN          4.50    (#    450:17  Unique         1.94, 3.44 A)
 &rst
  ixpk= 450, nxpk= 17, iat=  -1, 541, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 533, 534,
 &end
#
#   38 GLU  HA           38 GLU  HN          4.50    (#    451:17  Unique         2.78, 2.79 A)
 &rst
  ixpk= 451, nxpk= 17, iat= 543, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   37 ASP  HA           38 GLU  HN          4.50    (#    452:17  Unique         2.36, 2.43 A)
 &rst
  ixpk= 452, nxpk= 17, iat= 531, 541, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   39 ASN  HN           38 GLU  HN          3.50    (#    454:17  Unique         2.50, 2.67 A)
 &rst
  ixpk= 454, nxpk= 17, iat= 556, 541, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   37 ASP  HN           38 GLU  HN          6.00    (#    455:17  Unique         4.45, 4.61 A)
 &rst
  ixpk= 455, nxpk= 17, iat= 529, 541, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 ASN  HB+          63 GLU  HN          6.00    (#    456:17  Unique         3.23, 4.17 A)
 &rst
  ixpk= 456, nxpk= 17, iat=  -1, 919, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 884, 885,
 &end
#
#   43 ARG  HG-          37 ASP  HN          6.00    (#    457:17  Unique         3.09, 3.78 A)
 &rst
  ixpk= 457, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 615, 616,
 &end
#
#   43 ARG  HG+          37 ASP  HN          6.00    (#    458:17  Unique         3.09, 3.78 A)
 &rst
  ixpk= 458, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 615, 616,
 &end
#
#    0 AMB  17-2:459     37 ASP  HN          6.00    (#    459:17  Single Ambig)
 &rst
  ixpk= 459, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 581, 582, 581, 582,
 &end
#
#   36 CYS  HB-          37 ASP  HN          4.50    (#    460:17  Unique         2.41, 3.59 A)
 &rst
  ixpk= 460, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   43 ARG  HD+          37 ASP  HN          6.00    (#    462:17  Unique         3.86, 5.26 A)
 &rst
  ixpk= 462, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 618, 619,
 &end
#
#   37 ASP  HB+          37 ASP  HN          6.00    (#    463:17  Unique         2.23, 2.71 A)
 &rst
  ixpk= 463, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 533, 534,
 &end
#
#    0 AMB  17-2:464     37 ASP  HN          6.00    (#    464:17  Single Ambig)
 &rst
  ixpk= 464, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 610, 543, 509,
 &end
#
#   37 ASP  HA           37 ASP  HN          4.50    (#    465:17  Unique         2.75, 2.82 A)
 &rst
  ixpk= 465, nxpk= 17, iat= 531, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   42 PRO  HA           37 ASP  HN          6.00    (#    466:17  Unique         3.74, 4.33 A)
 &rst
  ixpk= 466, nxpk= 17, iat= 604, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 CYS  HA           37 ASP  HN          4.50    (#    467:17  Unique         2.14, 2.22 A)
 &rst
  ixpk= 467, nxpk= 17, iat= 520, 529, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   41 GLN  HN           37 ASP  HN          3.50    (#    468:17  Unique         3.08, 3.66 A)
 &rst
  ixpk= 468, nxpk= 17, iat= 577, 529, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:469     36 CYS  HN          6.00    (#    469:17  Single Ambig)
 &rst
  ixpk= 469, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 490, 491, 492, 494, 495, 496, 441, 442, 443, 445,
       446, 447,
 &end
#
#   43 ARG  HG-          36 CYS  HN          6.00    (#    470:17  Unique         3.76, 4.53 A)
 &rst
  ixpk= 470, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 615, 616,
 &end
#
#   36 CYS  HB-          36 CYS  HN          6.00    (#    471:17  Unique         2.26, 3.36 A)
 &rst
  ixpk= 471, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 522, 523,
 &end
#
#   36 CYS  HB+          36 CYS  HN          4.50    (#    472:17  Unique         2.26, 3.36 A)
 &rst
  ixpk= 472, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 522, 523,
 &end
#
#   34 GLY  HA-          36 CYS  HN          6.00    (#    473:17  Unique         3.12, 3.80 A)
 &rst
  ixpk= 473, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 502, 503,
 &end
#
#   35 SER  HB-          36 CYS  HN          6.00    (#    474:17  Unique         3.22, 4.36 A)
 &rst
  ixpk= 474, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 511, 512,
 &end
#
#   35 SER  HA           36 CYS  HN          4.50    (#    475:17  Unique         2.70, 3.10 A)
 &rst
  ixpk= 475, nxpk= 17, iat= 509, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HA+          36 CYS  HN          6.00    (#    476:17  Unique         3.12, 3.80 A)
 &rst
  ixpk= 476, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 502, 503,
 &end
#
#   36 CYS  HA           36 CYS  HN          4.50    (#    478:17  Unique         2.91, 2.93 A)
 &rst
  ixpk= 478, nxpk= 17, iat= 520, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   35 SER  HN           36 CYS  HN          4.50    (#    479:17  Unique         2.57, 2.66 A)
 &rst
  ixpk= 479, nxpk= 17, iat= 507, 518, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ARG  HE           36 CYS  HN          6.00    (#    480:17  Unique         2.03, 4.22 A)
 &rst
  ixpk= 480, nxpk= 17, iat= 621, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGX          35 SER  HN          6.00    (#    481:17  Unique         1.93, 4.62 A)
 &rst
  ixpk= 481, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   30 LEU  HB+          35 SER  HN          6.00    (#    482:17  Unique         2.58, 3.03 A)
 &rst
  ixpk= 482, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 436, 437,
 &end
#
#   34 GLY  HA-          35 SER  HN          3.50    (#    483:17  Unique         2.15, 3.17 A)
 &rst
  ixpk= 483, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#   35 SER  HB+          35 SER  HN          4.50    (#    484:17  Unique         2.09, 3.36 A)
 &rst
  ixpk= 484, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 511, 512,
 &end
#
#   35 SER  HA           35 SER  HN          4.50    (#    485:17  Unique         2.27, 2.37 A)
 &rst
  ixpk= 485, nxpk= 17, iat= 509, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HA+          35 SER  HN          4.50    (#    486:17  Unique         2.15, 3.17 A)
 &rst
  ixpk= 486, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 502, 503,
 &end
#
#   33 VAL  HN           35 SER  HN          6.00    (#    487:17  Unique         3.71, 4.19 A)
 &rst
  ixpk= 487, nxpk= 17, iat= 484, 507, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 CYS  HN           35 SER  HN          4.50    (#    488:17  Unique         2.57, 2.66 A)
 &rst
  ixpk= 488, nxpk= 17, iat= 518, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HN           35 SER  HN          4.50    (#    489:17  Unique         2.00, 2.45 A)
 &rst
  ixpk= 489, nxpk= 17, iat= 500, 507, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  MDY          34 GLY  HN          6.00    (#    491:17  Unique         4.35, 5.98 A)
 &rst
  ixpk= 491, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   33 VAL  MGX          34 GLY  HN          3.50    (#    492:17  Unique         1.91, 3.90 A)
 &rst
  ixpk= 492, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   55 ALA  MB           34 GLY  HN          6.00    (#    493:17  Unique         4.71, 5.83 A)
 &rst
  ixpk= 493, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 811, 812, 813,
 &end
#
#   30 LEU  HB-          34 GLY  HN          4.50    (#    494:17  Unique         2.40, 3.38 A)
 &rst
  ixpk= 494, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 436, 437,
 &end
#
#   33 VAL  HB           34 GLY  HN          6.00    (#    495:17  Unique         2.00, 3.26 A)
 &rst
  ixpk= 495, nxpk= 17, iat= 488, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA-          34 GLY  HN          3.50    (#    496:17  Unique         2.38, 2.70 A)
 &rst
  ixpk= 496, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#   35 SER  HA           34 GLY  HN          6.00    (#    497:17  Unique         4.08, 4.39 A)
 &rst
  ixpk= 497, nxpk= 17, iat= 509, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          34 GLY  HN          3.50    (#    498:17  Unique         2.38, 2.70 A)
 &rst
  ixpk= 498, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 502, 503,
 &end
#
#   33 VAL  HN           34 GLY  HN          2.80    (#    499:17  Unique         1.89, 2.06 A)
 &rst
  ixpk= 499, nxpk= 17, iat= 484, 500, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   35 SER  HN           34 GLY  HN          6.00    (#    500:17  Unique         2.00, 2.45 A)
 &rst
  ixpk= 500, nxpk= 17, iat= 507, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 THR  HN           34 GLY  HN          6.00    (#    501:17  Unique         4.51, 4.70 A)
 &rst
  ixpk= 501, nxpk= 17, iat= 451, 500, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   35 SER  HB+          34 GLY  HN          6.00    (#    502:17  Unique         3.86, 5.03 A)
 &rst
  ixpk= 502, nxpk= 17, iat=  -1, 500, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 511, 512,
 &end
#
#   33 VAL  MGX          33 VAL  HN          3.50    (#    503:17  Unique         1.93, 3.46 A)
 &rst
  ixpk= 503, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   55 ALA  MB           33 VAL  HN          6.00    (#    504:17  Unique         3.45, 4.83 A)
 &rst
  ixpk= 504, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 811, 812, 813,
 &end
#
#   32 LEU  HB-          33 VAL  HN          6.00    (#    505:17  Unique         2.78, 3.80 A)
 &rst
  ixpk= 505, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 469, 470,
 &end
#
#   32 LEU  HB+          33 VAL  HN          6.00    (#    506:17  Unique         2.78, 3.80 A)
 &rst
  ixpk= 506, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 469, 470,
 &end
#
#   33 VAL  HB           33 VAL  HN          4.50    (#    507:17  Unique         2.64, 3.62 A)
 &rst
  ixpk= 507, nxpk= 17, iat= 488, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   34 GLY  HA-          33 VAL  HN          6.00    (#    508:17  Unique         4.03, 4.39 A)
 &rst
  ixpk= 508, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 502, 503,
 &end
#
#   32 LEU  HA           33 VAL  HN          6.00    (#    509:17  Unique         3.31, 3.35 A)
 &rst
  ixpk= 509, nxpk= 17, iat= 467, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:510     33 VAL  HN          4.50    (#    510:17  Single Ambig)
 &rst
  ixpk= 510, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 486, 434,
 &end
#
#   34 GLY  HN           33 VAL  HN          3.50    (#    512:17  Unique         1.89, 2.06 A)
 &rst
  ixpk= 512, nxpk= 17, iat= 500, 484, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   31 THR  HN           33 VAL  HN          4.50    (#    513:17  Unique         3.84, 4.02 A)
 &rst
  ixpk= 513, nxpk= 17, iat= 451, 484, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   30 LEU  MDY          33 VAL  HN          6.00    (#    514:17  Unique         4.63, 6.60 A)
 &rst
  ixpk= 514, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   33 VAL  MGY          32 LEU  HN          6.00    (#    515:17  Unique         3.06, 4.86 A)
 &rst
  ixpk= 515, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   32 LEU  MDY          32 LEU  HN          4.50    (#    516:17  Unique         2.99, 4.28 A)
 &rst
  ixpk= 516, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   31 THR  MG2          32 LEU  HN          6.00    (#    517:17  Unique         4.38, 5.13 A)
 &rst
  ixpk= 517, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 457, 458, 459,
 &end
#
#   32 LEU  HB-          32 LEU  HN          6.00    (#    518:17  Unique         2.59, 3.16 A)
 &rst
  ixpk= 518, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 469, 470,
 &end
#
#   32 LEU  HG           32 LEU  HN          4.50    (#    519:17  Unique         2.17, 2.31 A)
 &rst
  ixpk= 519, nxpk= 17, iat= 472, 465, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   32 LEU  HB+          32 LEU  HN          4.50    (#    520:17  Unique         2.59, 3.16 A)
 &rst
  ixpk= 520, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 469, 470,
 &end
#
#   36 CYS  HB+          35 SER  HN          6.00    (#    521:17  Unique         4.85, 5.77 A)
 &rst
  ixpk= 521, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 522, 523,
 &end
#
#   31 THR  HA           32 LEU  HN          6.00    (#    522:17  Unique         3.36, 3.38 A)
 &rst
  ixpk= 522, nxpk= 17, iat= 453, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   32 LEU  HA           32 LEU  HN          6.00    (#    523:17  Unique         2.90, 2.92 A)
 &rst
  ixpk= 523, nxpk= 17, iat= 467, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           32 LEU  HN          6.00    (#    524:17  Unique         3.06, 3.12 A)
 &rst
  ixpk= 524, nxpk= 17, iat= 434, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  HN           32 LEU  HN          6.00    (#    526:17  Unique         2.16, 2.27 A)
 &rst
  ixpk= 526, nxpk= 17, iat= 484, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PHE  HD           32 LEU  HN          6.00    (#    527:17  Unique         4.05, 5.93 A)
 &rst
  ixpk= 527, nxpk= 17, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 803,
 &end
#
#   32 LEU  HA           31 THR  HN          6.00    (#    528:17  Unique         4.99, 5.05 A)
 &rst
  ixpk= 528, nxpk= 17, iat= 467, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  MDX          31 THR  HN          6.00    (#    529:17  Unique         4.58, 6.17 A)
 &rst
  ixpk= 529, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   32 LEU  MDY          31 THR  HN          6.00    (#    530:17  Unique         4.30, 5.67 A)
 &rst
  ixpk= 530, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 474, 475, 476, 478, 479, 480,
 &end
#
#   31 THR  MG2          31 THR  HN          6.00    (#    531:17  Unique         2.24, 3.45 A)
 &rst
  ixpk= 531, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 457, 458, 459,
 &end
#
#    0 AMB  17-2:532     31 THR  HN          6.00    (#    532:17  Single Ambig)
 &rst
  ixpk= 532, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 436, 437, 469, 470,
 &end
#
#   32 LEU  HG           31 THR  HN          6.00    (#    533:17  Unique         3.49, 3.63 A)
 &rst
  ixpk= 533, nxpk= 17, iat= 472, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:534     31 THR  HN          6.00    (#    534:17  Single Ambig)
 &rst
  ixpk= 534, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 469, 470, 225, 226,
 &end
#
#   29 ASP  HB+          31 THR  HN          6.00    (#    535:17  Unique         2.60, 3.75 A)
 &rst
  ixpk= 535, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 425,
 &end
#
#   15 ASN  HB+          31 THR  HN          6.00    (#    536:17  Unique         3.91, 4.86 A)
 &rst
  ixpk= 536, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   31 THR  HA           31 THR  HN          6.00    (#    537:17  Unique         2.80, 2.88 A)
 &rst
  ixpk= 537, nxpk= 17, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   31 THR  HB           31 THR  HN          6.00    (#    538:17  Unique         3.46, 3.59 A)
 &rst
  ixpk= 538, nxpk= 17, iat= 455, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          31 THR  HN          6.00    (#    539:17  Unique         5.67, 6.63 A)
 &rst
  ixpk= 539, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 502, 503,
 &end
#
#   33 VAL  HN           31 THR  HN          6.00    (#    541:17  Unique         3.84, 4.02 A)
 &rst
  ixpk= 541, nxpk= 17, iat= 484, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   54 PHE  HD           31 THR  HN          6.00    (#    542:17  Unique         3.06, 5.51 A)
 &rst
  ixpk= 542, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 795, 803,
 &end
#
#   30 LEU  HN           31 THR  HN          6.00    (#    543:17  Unique         2.19, 2.57 A)
 &rst
  ixpk= 543, nxpk= 17, iat= 432, 451, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:544     31 THR  HN          6.00    (#    544:17  Single Ambig)
 &rst
  ixpk= 544, nxpk= 17, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 500, 420,
 &end
#
#   30 LEU  MDY          30 LEU  HN          6.00    (#    545:17  Unique         3.31, 4.59 A)
 &rst
  ixpk= 545, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   30 LEU  MDX          30 LEU  HN          4.50    (#    546:17  Unique         3.31, 4.59 A)
 &rst
  ixpk= 546, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   55 ALA  MB           30 LEU  HN          6.00    (#    547:17  Unique         4.69, 5.68 A)
 &rst
  ixpk= 547, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 811, 812, 813,
 &end
#
#    0 AMB  17-2:548     30 LEU  HN          2.80    (#    548:17  Single Ambig)
 &rst
  ixpk= 548, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1= 439, 436, 437,
 &end
#
#   29 ASP  HB+          30 LEU  HN          6.00    (#    549:17  Unique         2.66, 3.67 A)
 &rst
  ixpk= 549, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 425,
 &end
#
#   15 ASN  HB-          30 LEU  HN          6.00    (#    550:17  Unique         3.41, 4.10 A)
 &rst
  ixpk= 550, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   15 ASN  HB+          30 LEU  HN          6.00    (#    551:17  Unique         3.41, 4.10 A)
 &rst
  ixpk= 551, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   31 THR  HA           30 LEU  HN          6.00    (#    552:17  Unique         4.15, 4.32 A)
 &rst
  ixpk= 552, nxpk= 17, iat= 453, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HA           30 LEU  HN          6.00    (#    553:17  Unique         2.92, 2.94 A)
 &rst
  ixpk= 553, nxpk= 17, iat= 434, 432, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:554     30 LEU  HN          2.80    (#    554:17  Single Ambig)
 &rst
  ixpk= 554, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 223, 422,
 &end
#
#   31 THR  HN           30 LEU  HN          3.50    (#    555:17  Unique         2.19, 2.57 A)
 &rst
  ixpk= 555, nxpk= 17, iat= 451, 432, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:556     29 ASP  HN          3.50    (#    556:17  Single Ambig)
 &rst
  ixpk= 556, nxpk= 17, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   55 ALA  MB           29 ASP  HN          6.00    (#    557:17  Unique         4.79, 6.01 A)
 &rst
  ixpk= 557, nxpk= 17, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 811, 812, 813,
 &end
#
#   28 VAL  HB           29 ASP  HN          6.00    (#    558:17  Unique         3.82, 3.95 A)
 &rst
  ixpk= 558, nxpk= 17, iat= 408, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HB+          29 ASP  HN          4.50    (#    559:17  Unique         2.10, 2.64 A)
 &rst
  ixpk= 559, nxpk= 17, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 424, 425,
 &end
#
#   28 VAL  HA           29 ASP  HN          2.80    (#    560:17  Unique         2.16, 2.20 A)
 &rst
  ixpk= 560, nxpk= 17, iat= 406, 420, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   29 ASP  HA           29 ASP  HN          4.50    (#    561:17  Unique         2.86, 2.89 A)
 &rst
  ixpk= 561, nxpk= 17, iat= 422, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   54 PHE  HA           29 ASP  HN          4.50    (#    562:17  Unique         2.57, 2.82 A)
 &rst
  ixpk= 562, nxpk= 17, iat= 789, 420, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   55 ALA  HN           29 ASP  HN          6.00    (#    563:17  Unique         4.35, 4.73 A)
 &rst
  ixpk= 563, nxpk= 17, iat= 807, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   28 VAL  HN           29 ASP  HN          6.00    (#    564:17  Unique         4.26, 4.32 A)
 &rst
  ixpk= 564, nxpk= 17, iat= 404, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   30 LEU  HN           29 ASP  HN          6.00    (#    565:17  Unique         4.51, 4.58 A)
 &rst
  ixpk= 565, nxpk= 17, iat= 432, 420, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HB+          28 VAL  HN          4.50    (#    566:17  Unique         2.91, 3.72 A)
 &rst
  ixpk= 566, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 396, 397,
 &end
#
#   28 VAL  HA           28 VAL  HN          4.50    (#    567:17  Unique         2.91, 2.92 A)
 &rst
  ixpk= 567, nxpk= 17, iat= 406, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:568     28 VAL  HN          6.00    (#    568:17  Single Ambig)
 &rst
  ixpk= 568, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 223, 422,
 &end
#
#   27 ASP  HA           28 VAL  HN          2.80    (#    569:17  Unique         2.14, 2.18 A)
 &rst
  ixpk= 569, nxpk= 17, iat= 394, 404, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    0 AMB  17-2:570     28 VAL  HN          3.50    (#    570:17  Single Ambig)
 &rst
  ixpk= 570, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 238, 270,
 &end
#
#    0 AMB  17-2:571     28 VAL  HN          6.00    (#    571:17  Single Ambig)
 &rst
  ixpk= 571, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 228, 229, 228, 229,
 &end
#
#   28 VAL  HB           28 VAL  HN          4.50    (#    572:17  Unique         2.84, 3.25 A)
 &rst
  ixpk= 572, nxpk= 17, iat= 408, 404, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  MB           28 VAL  HN          6.00    (#    573:17  Unique         4.68, 5.35 A)
 &rst
  ixpk= 573, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 242, 243, 244,
 &end
#
#    0 AMB  17-2:574     28 VAL  HN          2.80    (#    574:17  Single Ambig)
 &rst
  ixpk= 574, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 4.24, r4= 4.74,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   18 LYS  HA           28 VAL  HN          6.00    (#    575:17  Unique         2.85, 3.08 A)
 &rst
  ixpk= 575, nxpk= 17, iat= 250, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ARG  HD+          27 ASP  HN          6.00    (#    576:17  Unique         3.24, 4.41 A)
 &rst
  ixpk= 576, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   26 ARG  HD-          27 ASP  HN          6.00    (#    577:17  Unique         3.24, 4.41 A)
 &rst
  ixpk= 577, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   27 ASP  HB-          27 ASP  HN          3.50    (#    578:17  Unique         2.30, 3.17 A)
 &rst
  ixpk= 578, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 396, 397,
 &end
#
#   26 ARG  HB+          27 ASP  HN          4.50    (#    579:17  Unique         2.06, 2.87 A)
 &rst
  ixpk= 579, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 372, 373,
 &end
#
#   26 ARG  HB-          27 ASP  HN          4.50    (#    580:17  Unique         2.06, 2.87 A)
 &rst
  ixpk= 580, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 372, 373,
 &end
#
#   18 LYS  HG+          27 ASP  HN          6.00    (#    581:17  Unique         3.99, 4.57 A)
 &rst
  ixpk= 581, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 255, 256,
 &end
#
#    0 AMB  17-2:583     27 ASP  HN          6.00    (#    583:17  Single Ambig)
 &rst
  ixpk= 583, nxpk= 17, iat=  -1, 392, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   28 VAL  HA           27 ASP  HN          6.00    (#    585:17  Unique         5.04, 5.24 A)
 &rst
  ixpk= 585, nxpk= 17, iat= 406, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ARG  HA           27 ASP  HN          2.80    (#    586:17  Unique         2.34, 2.48 A)
 &rst
  ixpk= 586, nxpk= 17, iat= 370, 392, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 ASP  HA           27 ASP  HN          4.50    (#    587:17  Unique         2.88, 2.92 A)
 &rst
  ixpk= 587, nxpk= 17, iat= 394, 392, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   28 VAL  HN           27 ASP  HN          6.00    (#    590:17  Unique         4.26, 4.47 A)
 &rst
  ixpk= 590, nxpk= 17, iat= 404, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HN           27 ASP  HN          6.00    (#    591:17  Unique         4.91, 5.10 A)
 &rst
  ixpk= 591, nxpk= 17, iat= 270, 392, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:592      0 AMB  17-1:592    6.00    (#    592:17  Double Ambig)
 &rst
  ixpk= 592, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
       281, 282,
 igr2= 238, 368,
 &end
#
#   26 ARG  HB-          26 ARG  HN          3.50    (#    593:17  Unique         2.42, 3.06 A)
 &rst
  ixpk= 593, nxpk= 17, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 372, 373,
 &end
#
#    0 AMB  17-2:594     17 ALA  HN          6.00    (#    594:17  Single Ambig)
 &rst
  ixpk= 594, nxpk= 17, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 228, 229, 228, 229,
 &end
#
#   26 ARG  HD-          26 ARG  HN          6.00    (#    595:17  Unique         3.67, 4.26 A)
 &rst
  ixpk= 595, nxpk= 17, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   28 VAL  HA           17 ALA  HN          6.00    (#    596:17  Unique         4.80, 4.96 A)
 &rst
  ixpk= 596, nxpk= 17, iat= 406, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HN           26 ARG  HN          6.00    (#    597:17  Unique         4.49, 4.53 A)
 &rst
  ixpk= 597, nxpk= 17, iat= 392, 368, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:598      0 AMB  17-1:598    6.00    (#    598:17  Double Ambig)
 &rst
  ixpk= 598, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.90, r4=11.40,
 igr1= 276, 277, 278, 280, 281, 282, 410, 411, 412, 414,
       415, 416, 410, 411, 412, 414, 415, 416,
 igr2= 368, 238,
 &end
#
#   24 ILE  MD1          25 GLN  HN          4.50    (#    601:17  Unique         1.94, 2.52 A)
 &rst
  ixpk= 601, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 345, 346, 347,
 &end
#
#   24 ILE  HG1+         25 GLN  HN          6.00    (#    602:17  Unique         3.84, 4.04 A)
 &rst
  ixpk= 602, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 342, 343,
 &end
#
#   24 ILE  HG1-         25 GLN  HN          6.00    (#    603:17  Unique         3.84, 4.04 A)
 &rst
  ixpk= 603, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 342, 343,
 &end
#
#   25 GLN  HB-          25 GLN  HN          2.80    (#    605:17  Unique         2.08, 2.65 A)
 &rst
  ixpk= 605, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 355, 356,
 &end
#
#   25 GLN  HB+          25 GLN  HN          2.80    (#    606:17  Unique         2.08, 2.65 A)
 &rst
  ixpk= 606, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 355, 356,
 &end
#
#   25 GLN  HG+          25 GLN  HN          4.50    (#    607:17  Unique         3.21, 3.98 A)
 &rst
  ixpk= 607, nxpk= 17, iat=  -1, 351, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 358, 359,
 &end
#
#   24 ILE  HA           25 GLN  HN          2.80    (#    608:17  Unique         2.22, 2.23 A)
 &rst
  ixpk= 608, nxpk= 17, iat= 334, 351, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   25 GLN  HA           25 GLN  HN          4.50    (#    609:17  Unique         2.76, 2.76 A)
 &rst
  ixpk= 609, nxpk= 17, iat= 353, 351, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HN           25 GLN  HN          6.00    (#    610:17  Unique         4.15, 4.18 A)
 &rst
  ixpk= 610, nxpk= 17, iat= 332, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ARG  HN           25 GLN  HN          6.00    (#    611:17  Unique         4.34, 4.43 A)
 &rst
  ixpk= 611, nxpk= 17, iat= 368, 351, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ILE  MG2          24 ILE  HN          4.50    (#    612:17  Unique         3.38, 4.22 A)
 &rst
  ixpk= 612, nxpk= 17, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 338, 339, 340,
 &end
#
#   24 ILE  HG1+         24 ILE  HN          4.50    (#    613:17  Unique         4.50, 4.91 A)
 &rst
  ixpk= 613, nxpk= 17, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 342, 343,
 &end
#
#   24 ILE  HG1-         24 ILE  HN          4.50    (#    614:17  Unique         4.50, 4.91 A)
 &rst
  ixpk= 614, nxpk= 17, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 342, 343,
 &end
#
#   24 ILE  HB           24 ILE  HN          4.50    (#    615:17  Unique         3.08, 3.18 A)
 &rst
  ixpk= 615, nxpk= 17, iat= 336, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HB           24 ILE  HN          6.00    (#    616:17  Unique         2.03, 2.18 A)
 &rst
  ixpk= 616, nxpk= 17, iat= 302, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB-          24 ILE  HN          6.00    (#    617:17  Unique         5.21, 5.70 A)
 &rst
  ixpk= 617, nxpk= 17, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 318, 319,
 &end
#
#   23 GLY  HA-          24 ILE  HN          6.00    (#    618:17  Unique         2.53, 3.15 A)
 &rst
  ixpk= 618, nxpk= 17, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 327, 328,
 &end
#
#   22 CYS  HA           24 ILE  HN          6.00    (#    619:17  Unique         4.88, 4.97 A)
 &rst
  ixpk= 619, nxpk= 17, iat= 316, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ILE  HA           24 ILE  HN          4.50    (#    620:17  Unique         2.78, 2.79 A)
 &rst
  ixpk= 620, nxpk= 17, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   25 GLN  HA           24 ILE  HN          6.00    (#    621:17  Unique         4.65, 4.68 A)
 &rst
  ixpk= 621, nxpk= 17, iat= 353, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HA           24 ILE  HN          6.00    (#    622:17  Unique         5.31, 5.46 A)
 &rst
  ixpk= 622, nxpk= 17, iat= 288, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 GLY  HN           24 ILE  HN          3.50    (#    623:17  Unique         2.34, 2.40 A)
 &rst
  ixpk= 623, nxpk= 17, iat= 325, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HN           24 ILE  HN          3.50    (#    624:17  Unique         3.48, 3.51 A)
 &rst
  ixpk= 624, nxpk= 17, iat= 298, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   22 CYS  HN           24 ILE  HN          6.00    (#    625:17  Unique         4.34, 4.44 A)
 &rst
  ixpk= 625, nxpk= 17, iat= 314, 332, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HN           23 GLY  HN          3.50    (#    626:17  Unique         2.60, 2.76 A)
 &rst
  ixpk= 626, nxpk= 17, iat= 314, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   21 VAL  HN           23 GLY  HN          4.50    (#    627:17  Unique         4.27, 4.62 A)
 &rst
  ixpk= 627, nxpk= 17, iat= 298, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   24 ILE  HB           23 GLY  HN          6.00    (#    628:17  Unique         5.09, 5.13 A)
 &rst
  ixpk= 628, nxpk= 17, iat= 336, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   24 ILE  HN           23 GLY  HN          4.50    (#    629:17  Unique         2.34, 2.40 A)
 &rst
  ixpk= 629, nxpk= 17, iat= 332, 325, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   21 VAL  HA           23 GLY  HN          6.00    (#    630:17  Unique         4.04, 4.09 A)
 &rst
  ixpk= 630, nxpk= 17, iat= 300, 325, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 GLY  HA+          23 GLY  HN          2.80    (#    631:17  Unique         2.34, 2.63 A)
 &rst
  ixpk= 631, nxpk= 17, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 327, 328,
 &end
#
#   22 CYS  HA           23 GLY  HN          3.50    (#    632:17  Unique         3.44, 3.48 A)
 &rst
  ixpk= 632, nxpk= 17, iat= 316, 325, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLY  HA-          23 GLY  HN          3.50    (#    633:17  Unique         2.34, 2.63 A)
 &rst
  ixpk= 633, nxpk= 17, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 327, 328,
 &end
#
#   22 CYS  HB+          23 GLY  HN          6.00    (#    634:17  Unique         2.84, 3.43 A)
 &rst
  ixpk= 634, nxpk= 17, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 318, 319,
 &end
#
#   21 VAL  MGX          23 GLY  HN          6.00    (#    635:17  Unique         2.04, 4.11 A)
 &rst
  ixpk= 635, nxpk= 17, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  MGX          22 CYS  HN          6.00    (#    636:17  Unique         1.94, 3.77 A)
 &rst
  ixpk= 636, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  MGY          22 CYS  HN          4.50    (#    637:17  Unique         1.94, 3.77 A)
 &rst
  ixpk= 637, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  HB           22 CYS  HN          6.00    (#    638:17  Unique         1.95, 3.43 A)
 &rst
  ixpk= 638, nxpk= 17, iat= 302, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HB-          22 CYS  HN          6.00    (#    639:17  Unique         2.26, 2.73 A)
 &rst
  ixpk= 639, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 318, 319,
 &end
#
#   22 CYS  HB+          22 CYS  HN          6.00    (#    640:17  Unique         2.26, 2.73 A)
 &rst
  ixpk= 640, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 318, 319,
 &end
#
#   22 CYS  HA           22 CYS  HN          3.50    (#    641:17  Unique         2.75, 2.76 A)
 &rst
  ixpk= 641, nxpk= 17, iat= 316, 314, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   23 GLY  HA+          22 CYS  HN          6.00    (#    642:17  Unique         4.90, 5.22 A)
 &rst
  ixpk= 642, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 327, 328,
 &end
#
#   21 VAL  HA           22 CYS  HN          2.80    (#    643:17  Unique         2.33, 2.36 A)
 &rst
  ixpk= 643, nxpk= 17, iat= 300, 314, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 GLY  HA+          22 CYS  HN          6.00    (#    644:17  Unique         5.53, 5.85 A)
 &rst
  ixpk= 644, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#   23 GLY  HN           22 CYS  HN          6.00    (#    646:17  Unique         2.60, 2.76 A)
 &rst
  ixpk= 646, nxpk= 17, iat= 325, 314, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 GLY  HA-          22 CYS  HN          6.00    (#    647:17  Unique         5.53, 5.85 A)
 &rst
  ixpk= 647, nxpk= 17, iat=  -1, 314, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#   19 VAL  MGX          21 VAL  HN          6.00    (#    648:17  Unique         3.85, 5.79 A)
 &rst
  ixpk= 648, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   21 VAL  MGX          21 VAL  HN          3.50    (#    649:17  Unique         1.92, 3.91 A)
 &rst
  ixpk= 649, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 4.72, r4= 5.22,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   21 VAL  MGY          21 VAL  HN          4.50    (#    650:17  Unique         1.92, 3.91 A)
 &rst
  ixpk= 650, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   26 ARG  HB-          21 VAL  HN          6.00    (#    651:17  Unique         5.17, 5.92 A)
 &rst
  ixpk= 651, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 372, 373,
 &end
#
#    0 AMB  17-2:652     21 VAL  HN          6.00    (#    652:17  Single Ambig)
 &rst
  ixpk= 652, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 372, 373, 336,
 &end
#
#   21 VAL  HB           21 VAL  HN          4.50    (#    653:17  Unique         2.71, 2.78 A)
 &rst
  ixpk= 653, nxpk= 17, iat= 302, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:654     21 VAL  HN          6.00    (#    654:17  Single Ambig)
 &rst
  ixpk= 654, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 290, 291,
 &end
#
#   20 ASP  HB+          21 VAL  HN          6.00    (#    655:17  Unique         4.25, 4.33 A)
 &rst
  ixpk= 655, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 290, 291,
 &end
#
#   25 GLN  HA           21 VAL  HN          4.50    (#    656:17  Unique         2.09, 2.28 A)
 &rst
  ixpk= 656, nxpk= 17, iat= 353, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HA           21 VAL  HN          2.80    (#    657:17  Unique         2.14, 2.14 A)
 &rst
  ixpk= 657, nxpk= 17, iat= 288, 298, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   24 ILE  HN           21 VAL  HN          4.50    (#    658:17  Unique         3.48, 3.51 A)
 &rst
  ixpk= 658, nxpk= 17, iat= 332, 298, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:659     21 VAL  HN          6.00    (#    659:17  Single Ambig)
 &rst
  ixpk= 659, nxpk= 17, iat=  -1, 298, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 375, 376, 375, 376,
 &end
#
#   26 ARG  HN           21 VAL  HN          6.00    (#    660:17  Unique         3.29, 3.39 A)
 &rst
  ixpk= 660, nxpk= 17, iat= 368, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   22 CYS  HN           21 VAL  HN          6.00    (#    661:17  Unique         4.46, 4.53 A)
 &rst
  ixpk= 661, nxpk= 17, iat= 314, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HB           20 ASP  HN          4.50    (#    662:17  Unique         4.36, 4.41 A)
 &rst
  ixpk= 662, nxpk= 17, iat= 274, 286, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HB-          20 ASP  HN          4.50    (#    663:17  Unique         2.49, 2.58 A)
 &rst
  ixpk= 663, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 290, 291,
 &end
#
#    8 GLN  HB+          20 ASP  HN          6.00    (#    664:17  Unique         3.20, 3.60 A)
 &rst
  ixpk= 664, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#   19 VAL  MGY          20 ASP  HN          4.50    (#    665:17  Unique         2.84, 3.91 A)
 &rst
  ixpk= 665, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGX          20 ASP  HN          4.50    (#    666:17  Unique         2.84, 3.91 A)
 &rst
  ixpk= 666, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   20 ASP  HB+          20 ASP  HN          3.50    (#    667:17  Unique         2.49, 2.58 A)
 &rst
  ixpk= 667, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 290, 291,
 &end
#
#    9 ILE  HA           20 ASP  HN          6.00    (#    668:17  Unique         4.12, 4.19 A)
 &rst
  ixpk= 668, nxpk= 17, iat= 114, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HA           20 ASP  HN          2.80    (#    669:17  Unique         2.15, 2.17 A)
 &rst
  ixpk= 669, nxpk= 17, iat= 272, 286, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    7 GLY  HA+          20 ASP  HN          6.00    (#    670:17  Unique         2.96, 3.49 A)
 &rst
  ixpk= 670, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#    8 GLN  HN           20 ASP  HN          6.00    (#    671:17  Unique         1.80, 1.82 A)
 &rst
  ixpk= 671, nxpk= 17, iat=  95, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:672     20 ASP  HN          6.00    (#    672:17  Single Ambig)
 &rst
  ixpk= 672, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 270, 368,
 &end
#
#   10 ARG  HN           20 ASP  HN          6.00    (#    673:17  Unique         3.89, 3.99 A)
 &rst
  ixpk= 673, nxpk= 17, iat= 131, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  MGX          19 VAL  HN          4.50    (#    674:17  Unique         3.18, 4.07 A)
 &rst
  ixpk= 674, nxpk= 17, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  17-2:675     19 VAL  HN          3.50    (#    675:17  Single Ambig)
 &rst
  ixpk= 675, nxpk= 17, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 5.30, r4= 5.80,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   18 LYS  HG-          19 VAL  HN          4.50    (#    676:17  Unique         3.53, 4.00 A)
 &rst
  ixpk= 676, nxpk= 17, iat=  -1, 270, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 255, 256,
 &end
#
#   19 VAL  HB           19 VAL  HN          3.50    (#    677:17  Unique         2.14, 2.15 A)
 &rst
  ixpk= 677, nxpk= 17, iat= 274, 270, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   28 VAL  HA           19 VAL  HN          6.00    (#    678:17  Unique         5.45, 5.55 A)
 &rst
  ixpk= 678, nxpk= 17, iat= 406, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HA           19 VAL  HN          2.80    (#    679:17  Unique         2.17, 2.17 A)
 &rst
  ixpk= 679, nxpk= 17, iat= 250, 270, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   27 ASP  HA           19 VAL  HN          4.50    (#    680:17  Unique         3.42, 3.63 A)
 &rst
  ixpk= 680, nxpk= 17, iat= 394, 270, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 LYS  HN           19 VAL  HN          6.00    (#    681:17  Unique         4.04, 4.09 A)
 &rst
  ixpk= 681, nxpk= 17, iat= 248, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HA           19 VAL  HN          6.00    (#    682:17  Unique         4.57, 4.61 A)
 &rst
  ixpk= 682, nxpk= 17, iat= 114, 270, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  MG2          18 LYS  HN          6.00    (#    683:17  Unique         3.14, 4.18 A)
 &rst
  ixpk= 683, nxpk= 17, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 118, 119, 120,
 &end
#
#   18 LYS  HB-          18 LYS  HN          4.50    (#    685:17  Unique         2.52, 2.82 A)
 &rst
  ixpk= 685, nxpk= 17, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 252, 253,
 &end
#
#   17 ALA  MB           18 LYS  HN          3.50    (#    686:17  Unique         2.02, 3.06 A)
 &rst
  ixpk= 686, nxpk= 17, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 242, 243, 244,
 &end
#
#   18 LYS  HB+          18 LYS  HN          4.50    (#    687:17  Unique         2.52, 2.82 A)
 &rst
  ixpk= 687, nxpk= 17, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 252, 253,
 &end
#
#   12 ILE  HA           18 LYS  HN          4.50    (#    688:17  Unique         3.35, 3.43 A)
 &rst
  ixpk= 688, nxpk= 17, iat= 171, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 LYS  HA           18 LYS  HN          6.00    (#    689:17  Unique         2.95, 2.95 A)
 &rst
  ixpk= 689, nxpk= 17, iat= 250, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HA           18 LYS  HN          3.50    (#    690:17  Unique         2.47, 2.53 A)
 &rst
  ixpk= 690, nxpk= 17, iat= 240, 248, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   11 THR  HN           18 LYS  HN          6.00    (#    691:17  Unique         3.32, 3.37 A)
 &rst
  ixpk= 691, nxpk= 17, iat= 155, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HN           18 LYS  HN          4.50    (#    692:17  Unique         4.39, 4.42 A)
 &rst
  ixpk= 692, nxpk= 17, iat= 238, 248, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ARG  HN           18 LYS  HN          6.00    (#    693:17  Unique         5.49, 5.55 A)
 &rst
  ixpk= 693, nxpk= 17, iat= 131, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ASP  HN           18 LYS  HN          6.00    (#    694:17  Unique         4.23, 4.35 A)
 &rst
  ixpk= 694, nxpk= 17, iat= 188, 248, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   26 ARG  HB+          26 ARG  HN          3.50    (#    695:17  Unique         2.42, 3.06 A)
 &rst
  ixpk= 695, nxpk= 17, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 372, 373,
 &end
#
#    0 AMB  17-2:696      0 AMB  17-1:696    4.50    (#    696:17  Double Ambig)
 &rst
  ixpk= 696, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 358, 359, 355, 356,
 igr2= 368, 270,
 &end
#
#   20 ASP  HA           26 ARG  HN          3.50    (#    697:17  Unique         3.55, 3.61 A)
 &rst
  ixpk= 697, nxpk= 17, iat= 288, 368, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   25 GLN  HA           26 ARG  HN          2.80    (#    698:17  Unique         2.14, 2.15 A)
 &rst
  ixpk= 698, nxpk= 17, iat= 353, 368, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   21 VAL  MGX          26 ARG  HN          4.50    (#    699:17  Unique         2.03, 4.59 A)
 &rst
  ixpk= 699, nxpk= 17, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   16 GLN  HB+          16 GLN  HN          3.50    (#    700:17  Unique         2.39, 3.19 A)
 &rst
  ixpk= 700, nxpk= 17, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 225, 226,
 &end
#
#    0 AMB  17-2:701     16 GLN  HN          3.50    (#    701:17  Single Ambig)
 &rst
  ixpk= 701, nxpk= 17, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 228, 229, 228, 229,
 &end
#
#   15 ASN  HB+          16 GLN  HN          6.00    (#    702:17  Unique         3.12, 3.70 A)
 &rst
  ixpk= 702, nxpk= 17, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   14 GLY  HA-          16 GLN  HN          6.00    (#    704:17  Unique         3.35, 4.10 A)
 &rst
  ixpk= 704, nxpk= 17, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 202, 203,
 &end
#
#   16 GLN  HA           16 GLN  HN          3.50    (#    705:17  Unique         2.93, 2.94 A)
 &rst
  ixpk= 705, nxpk= 17, iat= 223, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   15 ASN  HN           16 GLN  HN          3.50    (#    706:17  Unique         1.98, 2.16 A)
 &rst
  ixpk= 706, nxpk= 17, iat= 207, 221, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   30 LEU  HN           16 GLN  HN          6.00    (#    707:17  Unique         4.31, 4.50 A)
 &rst
  ixpk= 707, nxpk= 17, iat= 432, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLY  HA+          15 ASN  HN          4.50    (#    708:17  Unique         2.14, 2.74 A)
 &rst
  ixpk= 708, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 202, 203,
 &end
#
#   16 GLN  HN           15 ASN  HN          4.50    (#    711:17  Unique         1.98, 2.16 A)
 &rst
  ixpk= 711, nxpk= 17, iat= 221, 207, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   15 ASN  HB+          15 ASN  HN          6.00    (#    712:17  Unique         2.40, 3.06 A)
 &rst
  ixpk= 712, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 211, 212,
 &end
#
#   15 ASN  HB-          15 ASN  HN          4.50    (#    713:17  Unique         2.40, 3.06 A)
 &rst
  ixpk= 713, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 211, 212,
 &end
#
#    0 AMB  17-2:714     15 ASN  HN          6.00    (#    714:17  Single Ambig)
 &rst
  ixpk= 714, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 228, 229, 228, 229,
 &end
#
#   16 GLN  HB-          15 ASN  HN          6.00    (#    715:17  Unique         4.03, 4.97 A)
 &rst
  ixpk= 715, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 226,
 &end
#
#   12 ILE  MG2          15 ASN  HN          6.00    (#    716:17  Unique         5.87, 6.72 A)
 &rst
  ixpk= 716, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 175, 176, 177,
 &end
#
#   14 GLY  HA+          14 GLY  HN          4.50    (#    717:17  Unique         2.30, 2.53 A)
 &rst
  ixpk= 717, nxpk= 17, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 202, 203,
 &end
#
#   14 GLY  HA-          14 GLY  HN          4.50    (#    718:17  Unique         2.30, 2.53 A)
 &rst
  ixpk= 718, nxpk= 17, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 202, 203,
 &end
#
#   12 ILE  HA           14 GLY  HN          6.00    (#    719:17  Unique         5.66, 5.68 A)
 &rst
  ixpk= 719, nxpk= 17, iat= 171, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ASP  HA           14 GLY  HN          3.50    (#    720:17  Unique         2.14, 2.14 A)
 &rst
  ixpk= 720, nxpk= 17, iat= 190, 200, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   13 ASP  HB+          14 GLY  HN          6.00    (#    721:17  Unique         3.55, 4.20 A)
 &rst
  ixpk= 721, nxpk= 17, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 192, 193,
 &end
#
#   13 ASP  HB-          14 GLY  HN          6.00    (#    722:17  Unique         3.55, 4.20 A)
 &rst
  ixpk= 722, nxpk= 17, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 192, 193,
 &end
#
#   12 ILE  MG2          14 GLY  HN          6.00    (#    723:17  Unique         4.04, 5.18 A)
 &rst
  ixpk= 723, nxpk= 17, iat=  -1, 200, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 175, 176, 177,
 &end
#
#   13 ASP  HN           14 GLY  HN          6.00    (#    724:17  Unique         4.28, 4.29 A)
 &rst
  ixpk= 724, nxpk= 17, iat= 188, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HB           14 GLY  HN          6.00    (#    725:17  Unique         5.53, 5.63 A)
 &rst
  ixpk= 725, nxpk= 17, iat= 173, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:726     13 ASP  HN          6.00    (#    726:17  Single Ambig)
 &rst
  ixpk= 726, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 441, 442, 443, 445, 446, 447, 179, 180,
 &end
#
#   17 ALA  MB           13 ASP  HN          6.00    (#    727:17  Unique         3.38, 4.20 A)
 &rst
  ixpk= 727, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 242, 243, 244,
 &end
#
#   16 GLN  HB+          13 ASP  HN          6.00    (#    729:17  Unique         4.95, 5.38 A)
 &rst
  ixpk= 729, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 226,
 &end
#
#    0 AMB  17-2:730     13 ASP  HN          6.00    (#    730:17  Single Ambig)
 &rst
  ixpk= 730, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 228, 229, 228, 229,
 &end
#
#   13 ASP  HB+          13 ASP  HN          4.50    (#    731:17  Unique         2.35, 2.88 A)
 &rst
  ixpk= 731, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 192, 193,
 &end
#
#   12 ILE  HA           13 ASP  HN          2.80    (#    732:17  Unique         2.15, 2.16 A)
 &rst
  ixpk= 732, nxpk= 17, iat= 171, 188, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   13 ASP  HA           13 ASP  HN          4.50    (#    733:17  Unique         2.94, 2.95 A)
 &rst
  ixpk= 733, nxpk= 17, iat= 190, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  HA           13 ASP  HN          4.50    (#    734:17  Unique         2.06, 2.19 A)
 &rst
  ixpk= 734, nxpk= 17, iat= 240, 188, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   16 GLN  HN           13 ASP  HN          6.00    (#    735:17  Unique         4.11, 4.25 A)
 &rst
  ixpk= 735, nxpk= 17, iat= 221, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HN           13 ASP  HN          6.00    (#    736:17  Unique         4.23, 4.35 A)
 &rst
  ixpk= 736, nxpk= 17, iat= 248, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLY  HN           13 ASP  HN          6.00    (#    737:17  Unique         4.28, 4.29 A)
 &rst
  ixpk= 737, nxpk= 17, iat= 200, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HN           13 ASP  HN          6.00    (#    738:17  Unique         4.30, 4.36 A)
 &rst
  ixpk= 738, nxpk= 17, iat= 238, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  HB           13 ASP  HN          6.00    (#    739:17  Unique         4.28, 4.34 A)
 &rst
  ixpk= 739, nxpk= 17, iat= 173, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   12 ILE  MG2          13 ASP  HN          4.50    (#    740:17  Unique         2.95, 3.98 A)
 &rst
  ixpk= 740, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 175, 176, 177,
 &end
#
#   11 THR  HA           11 THR  HN          3.50    (#    741:17  Unique         2.94, 2.94 A)
 &rst
  ixpk= 741, nxpk= 17, iat= 157, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   18 LYS  HA           11 THR  HN          6.00    (#    742:17  Unique         5.30, 5.31 A)
 &rst
  ixpk= 742, nxpk= 17, iat= 250, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HA           11 THR  HN          6.00    (#    743:17  Unique         5.40, 5.49 A)
 &rst
  ixpk= 743, nxpk= 17, iat= 240, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   11 THR  HB           11 THR  HN          6.00    (#    744:17  Unique         3.11, 3.15 A)
 &rst
  ixpk= 744, nxpk= 17, iat= 159, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HN           11 THR  HN          4.50    (#    745:17  Unique         3.32, 3.37 A)
 &rst
  ixpk= 745, nxpk= 17, iat= 248, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   12 ILE  HN           11 THR  HN          6.00    (#    746:17  Unique         4.41, 4.44 A)
 &rst
  ixpk= 746, nxpk= 17, iat= 169, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HN           11 THR  HN          3.50    (#    747:17  Unique         2.92, 2.96 A)
 &rst
  ixpk= 747, nxpk= 17, iat= 131, 155, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HA           11 THR  HN          4.50    (#    748:17  Unique         3.29, 3.37 A)
 &rst
  ixpk= 748, nxpk= 17, iat= 114, 155, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   10 ARG  HD-          11 THR  HN          6.00    (#    749:17  Unique         5.41, 5.78 A)
 &rst
  ixpk= 749, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 141, 142,
 &end
#
#    0 AMB  17-2:750     11 THR  HN          6.00    (#    750:17  Single Ambig)
 &rst
  ixpk= 750, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359, 290, 291,
 &end
#
#   18 LYS  HB+          11 THR  HN          4.50    (#    751:17  Unique         3.32, 3.79 A)
 &rst
  ixpk= 751, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 252, 253,
 &end
#
#    0 AMB  17-2:752     11 THR  HN          4.50    (#    752:17  Single Ambig)
 &rst
  ixpk= 752, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 138, 139, 138, 139,
 &end
#
#    0 AMB  17-2:753     11 THR  HN          3.50    (#    753:17  Single Ambig)
 &rst
  ixpk= 753, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 135, 136, 135, 136,
 &end
#
#   18 LYS  HB-          11 THR  HN          4.50    (#    754:17  Unique         3.32, 3.79 A)
 &rst
  ixpk= 754, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 252, 253,
 &end
#
#   11 THR  MG2          11 THR  HN          4.50    (#    755:17  Unique         4.10, 4.54 A)
 &rst
  ixpk= 755, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 161, 162, 163,
 &end
#
#   12 ILE  HG1-         11 THR  HN          4.50    (#    756:17  Unique         3.94, 4.86 A)
 &rst
  ixpk= 756, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 179, 180,
 &end
#
#    0 AMB  17-2:757     11 THR  HN          4.50    (#    757:17  Single Ambig)
 &rst
  ixpk= 757, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    9 ILE  MG2          11 THR  HN          4.50    (#    758:17  Unique         3.57, 4.74 A)
 &rst
  ixpk= 758, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 118, 119, 120,
 &end
#
#   11 THR  HN           10 ARG  HN          4.50    (#    760:17  Unique         2.92, 2.96 A)
 &rst
  ixpk= 760, nxpk= 17, iat= 155, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 LYS  HN           10 ARG  HN          6.00    (#    761:17  Unique         5.49, 5.55 A)
 &rst
  ixpk= 761, nxpk= 17, iat= 248, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HN           10 ARG  HN          6.00    (#    762:17  Unique         3.89, 3.99 A)
 &rst
  ixpk= 762, nxpk= 17, iat= 286, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HA           10 ARG  HN          4.50    (#    764:17  Unique         4.11, 4.17 A)
 &rst
  ixpk= 764, nxpk= 17, iat= 272, 131, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    9 ILE  HA           10 ARG  HN          3.50    (#    765:17  Unique         2.89, 2.91 A)
 &rst
  ixpk= 765, nxpk= 17, iat= 114, 131, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   10 ARG  HD+          10 ARG  HN          6.00    (#    766:17  Unique         3.71, 4.11 A)
 &rst
  ixpk= 766, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 141, 142,
 &end
#
#    0 AMB  17-2:767     10 ARG  HN          6.00    (#    767:17  Single Ambig)
 &rst
  ixpk= 767, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 116, 358, 359,
 &end
#
#    0 AMB  17-2:768     10 ARG  HN          3.50    (#    768:17  Single Ambig)
 &rst
  ixpk= 768, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 135, 136, 135, 136,
 &end
#
#    0 AMB  17-2:769     10 ARG  HN          4.50    (#    769:17  Single Ambig)
 &rst
  ixpk= 769, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 138, 139, 138, 139,
 &end
#
#    8 GLN  HB+          10 ARG  HN          6.00    (#    770:17  Unique         2.69, 3.50 A)
 &rst
  ixpk= 770, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#    0 AMB  17-2:771     10 ARG  HN          6.00    (#    771:17  Single Ambig)
 &rst
  ixpk= 771, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 638, 639, 640, 642, 643, 644, 638, 639, 640, 642,
       643, 644,
 &end
#
#    0 AMB  17-2:772     10 ARG  HN          4.50    (#    772:17  Single Ambig)
 &rst
  ixpk= 772, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 6.49, r4= 6.99,
 igr1= 118, 119, 120, 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGX          10 ARG  HN          6.00    (#    773:17  Unique         4.96, 6.80 A)
 &rst
  ixpk= 773, nxpk= 17, iat=  -1, 131, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    8 GLN  HA            9 ILE  HN          3.50    (#    774:17  Unique         2.16, 2.18 A)
 &rst
  ixpk= 774, nxpk= 17, iat=  97, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HA            9 ILE  HN          4.50    (#    775:17  Unique         2.88, 2.89 A)
 &rst
  ixpk= 775, nxpk= 17, iat= 114, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   19 VAL  HA            9 ILE  HN          6.00    (#    776:17  Unique         4.29, 4.36 A)
 &rst
  ixpk= 776, nxpk= 17, iat= 272, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HA            9 ILE  HN          4.50    (#    777:17  Unique         2.64, 2.81 A)
 &rst
  ixpk= 777, nxpk= 17, iat= 674, 112, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 GLN  HN            9 ILE  HN          6.00    (#    778:17  Unique         4.85, 5.01 A)
 &rst
  ixpk= 778, nxpk= 17, iat= 655, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HA            9 ILE  HN          6.00    (#    779:17  Unique         3.92, 4.26 A)
 &rst
  ixpk= 779, nxpk= 17, iat= 634, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HB-           9 ILE  HN          6.00    (#    780:17  Unique         5.69, 5.89 A)
 &rst
  ixpk= 780, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 290, 291,
 &end
#
#    9 ILE  HB            9 ILE  HN          3.50    (#    781:17  Unique         2.64, 2.67 A)
 &rst
  ixpk= 781, nxpk= 17, iat= 116, 112, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    9 ILE  HG1-          9 ILE  HN          3.50    (#    782:17  Unique         1.96, 2.62 A)
 &rst
  ixpk= 782, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 122, 123,
 &end
#
#    8 GLN  HB+           9 ILE  HN          6.00    (#    783:17  Unique         3.80, 4.09 A)
 &rst
  ixpk= 783, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#   19 VAL  MGX           9 ILE  HN          4.50    (#    784:17  Unique         3.85, 6.06 A)
 &rst
  ixpk= 784, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  17-2:785      9 ILE  HN          6.00    (#    785:17  Single Ambig)
 &rst
  ixpk= 785, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 702, 703, 704, 706, 707, 708, 638, 639, 640, 642,
       643, 644,
 &end
#
#    0 AMB  17-2:786      9 ILE  HN          4.50    (#    786:17  Single Ambig)
 &rst
  ixpk= 786, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 7.07, r4= 7.57,
 igr1= 276, 277, 278, 280, 281, 282, 702, 703, 704, 706,
       707, 708, 118, 119, 120,
 &end
#
#    8 GLN  HB-           9 ILE  HN          6.00    (#    787:17  Unique         3.80, 4.09 A)
 &rst
  ixpk= 787, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#    8 GLN  HB-           8 GLN  HN          4.50    (#    788:17  Unique         2.47, 2.69 A)
 &rst
  ixpk= 788, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  99, 100,
 &end
#
#   19 VAL  MGX           8 GLN  HN          4.50    (#    789:17  Unique         3.17, 4.44 A)
 &rst
  ixpk= 789, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGY           8 GLN  HN          6.00    (#    790:17  Unique         3.17, 4.44 A)
 &rst
  ixpk= 790, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    8 GLN  HB+           8 GLN  HN          4.50    (#    792:17  Unique         2.47, 2.69 A)
 &rst
  ixpk= 792, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  99, 100,
 &end
#
#   19 VAL  HB            8 GLN  HN          6.00    (#    793:17  Unique         5.50, 5.52 A)
 &rst
  ixpk= 793, nxpk= 17, iat= 274,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HB-           8 GLN  HN          6.00    (#    794:17  Unique         1.92, 2.57 A)
 &rst
  ixpk= 794, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 290, 291,
 &end
#
#   20 ASP  HB+           8 GLN  HN          6.00    (#    795:17  Unique         1.92, 2.57 A)
 &rst
  ixpk= 795, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 290, 291,
 &end
#
#    7 GLY  HA-           8 GLN  HN          4.50    (#    796:17  Unique         2.44, 2.56 A)
 &rst
  ixpk= 796, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  90,  91,
 &end
#
#    8 GLN  HA            8 GLN  HN          6.00    (#    797:17  Unique         2.92, 2.93 A)
 &rst
  ixpk= 797, nxpk= 17, iat=  97,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 GLY  HA+           8 GLN  HN          4.50    (#    798:17  Unique         2.44, 2.56 A)
 &rst
  ixpk= 798, nxpk= 17, iat=  -1,  95, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=  90,  91,
 &end
#
#   20 ASP  HA            8 GLN  HN          6.00    (#    799:17  Unique         3.86, 3.92 A)
 &rst
  ixpk= 799, nxpk= 17, iat= 288,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HZ3           8 GLN  HN          6.00    (#    800:17  Unique         4.33, 4.53 A)
 &rst
  ixpk= 800, nxpk= 17, iat= 689,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   20 ASP  HN            8 GLN  HN          6.00    (#    801:17  Unique         1.80, 1.82 A)
 &rst
  ixpk= 801, nxpk= 17, iat= 286,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 GLY  HN            8 GLN  HN          6.00    (#    802:17  Unique         4.35, 4.39 A)
 &rst
  ixpk= 802, nxpk= 17, iat=  88,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    9 ILE  HN            8 GLN  HN          6.00    (#    803:17  Unique         4.47, 4.49 A)
 &rst
  ixpk= 803, nxpk= 17, iat= 112,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  MGX           7 GLY  HN          6.00    (#    804:17  Unique         2.05, 3.83 A)
 &rst
  ixpk= 804, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#   19 VAL  MGY           7 GLY  HN          4.50    (#    805:17  Unique         2.05, 3.83 A)
 &rst
  ixpk= 805, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 276, 277, 278, 280, 281, 282,
 &end
#
#    0 AMB  17-2:806      7 GLY  HN          4.50    (#    806:17  Single Ambig)
 &rst
  ixpk= 806, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 737, 738, 739, 741, 742, 743, 702, 703, 704, 706,
       707, 708,
 &end
#
#    6 PRO  HG-           7 GLY  HN          6.00    (#    807:17  Unique         4.51, 5.07 A)
 &rst
  ixpk= 807, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 &end
#
#    6 PRO  HB+           7 GLY  HN          3.50    (#    808:17  Unique         2.72, 3.42 A)
 &rst
  ixpk= 808, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  81,  82,
 &end
#
#    6 PRO  HB-           7 GLY  HN          6.00    (#    809:17  Unique         2.72, 3.42 A)
 &rst
  ixpk= 809, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  81,  82,
 &end
#
#    7 GLY  HA-           7 GLY  HN          2.80    (#    810:17  Unique         2.49, 2.77 A)
 &rst
  ixpk= 810, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1=  90,  91,
 &end
#
#   49 LEU  HA            7 GLY  HN          6.00    (#    811:17  Unique         3.39, 3.58 A)
 &rst
  ixpk= 811, nxpk= 17, iat= 714,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    7 GLY  HA+           7 GLY  HN          6.00    (#    812:17  Unique         2.49, 2.77 A)
 &rst
  ixpk= 812, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  90,  91,
 &end
#
#   48 VAL  HA            7 GLY  HN          6.00    (#    813:17  Unique         4.52, 4.83 A)
 &rst
  ixpk= 813, nxpk= 17, iat= 698,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HA            7 GLY  HN          2.80    (#    814:17  Unique         2.16, 2.25 A)
 &rst
  ixpk= 814, nxpk= 17, iat=  84,  88, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#   47 TRP  HE3           7 GLY  HN          6.00    (#    815:17  Unique         2.78, 3.12 A)
 &rst
  ixpk= 815, nxpk= 17, iat= 691,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 GLN  HN            7 GLY  HN          6.00    (#    816:17  Unique         4.35, 4.39 A)
 &rst
  ixpk= 816, nxpk= 17, iat=  95,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 VAL  HN            7 GLY  HN          6.00    (#    817:17  Unique         4.35, 4.83 A)
 &rst
  ixpk= 817, nxpk= 17, iat= 731,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HN            7 GLY  HN          4.50    (#    818:17  Unique         2.50, 2.90 A)
 &rst
  ixpk= 818, nxpk= 17, iat= 696,  88, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    3 ILE  MG2           5 VAL  HN          6.00    (#    819:17  Unique         1.93, 3.79 A)
 &rst
  ixpk= 819, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  38,  39,  40,
 &end
#
#    0 AMB  17-2:820      5 VAL  HN          6.00    (#    820:17  Single Ambig)
 &rst
  ixpk= 820, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=  42,  43, 737, 738, 739, 741, 742, 743,
 &end
#
#    0 AMB  17-2:821      5 VAL  HN          4.50    (#    821:17  Single Ambig)
 &rst
  ixpk= 821, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=  64,  65,  66,  68,  69,  70,  64,  65,  66,  68,
        69,  70,
 &end
#
#    0 AMB  17-2:822      5 VAL  HN          6.00    (#    822:17  Single Ambig)
 &rst
  ixpk= 822, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 716, 717,1039,1040,
 &end
#
#    5 VAL  HB            5 VAL  HN          4.50    (#    823:17  Unique         2.58, 2.90 A)
 &rst
  ixpk= 823, nxpk= 17, iat=  62,  58, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   50 VAL  HB            5 VAL  HN          6.00    (#    824:17  Unique         1.95, 3.41 A)
 &rst
  ixpk= 824, nxpk= 17, iat= 735,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HD+           5 VAL  HN          6.00    (#    825:17  Unique         4.08, 4.65 A)
 &rst
  ixpk= 825, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  75,  76,
 &end
#
#   49 LEU  HA            5 VAL  HN          6.00    (#    826:17  Unique         4.52, 5.26 A)
 &rst
  ixpk= 826, nxpk= 17, iat= 714,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    5 VAL  HA            5 VAL  HN          6.00    (#    827:17  Unique         2.91, 2.94 A)
 &rst
  ixpk= 827, nxpk= 17, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 VAL  HN            5 VAL  HN          3.50    (#    828:17  Unique         2.67, 3.61 A)
 &rst
  ixpk= 828, nxpk= 17, iat= 731,  58, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:830      4 GLY  HN          6.00    (#    830:17  Single Ambig)
 &rst
  ixpk= 830, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  45,  46,  47,  38,  39,  40,
 &end
#
#    3 ILE  HG1-          4 GLY  HN          6.00    (#    831:17  Unique         1.95, 4.07 A)
 &rst
  ixpk= 831, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#    3 ILE  HB            4 GLY  HN          6.00    (#    832:17  Unique         2.08, 3.89 A)
 &rst
  ixpk= 832, nxpk= 17, iat=  36,  51, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:833      4 GLY  HN          6.00    (#    833:17  Single Ambig)
 &rst
  ixpk= 833, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  53,  54,  53,  54,
 &end
#
#    3 ILE  HA            4 GLY  HN          2.80    (#    834:17  Unique         2.17, 2.31 A)
 &rst
  ixpk= 834, nxpk= 17, iat=  34,  51, r1= 1.30, r2= 1.80, r3= 2.80, r4= 3.30,  &end
#
#    3 ILE  HG1+          4 GLY  HN          6.00    (#    835:17  Unique         1.95, 4.07 A)
 &rst
  ixpk= 835, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#    0 AMB  17-2:836      4 GLY  HN          6.00    (#    836:17  Single Ambig)
 &rst
  ixpk= 836, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  45,  46,  47,  38,  39,  40,
 &end
#
#    0 AMB  17-2:837      4 GLY  HN          6.00    (#    837:17  Single Ambig)
 &rst
  ixpk= 837, nxpk= 17, iat=  -1,  51, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  45,  46,  47,  38,  39,  40,
 &end
#
#   68 LEU  HB+          69 ASP  HN          3.50    (#    847:17  Unique         2.67, 3.09 A)
 &rst
  ixpk= 847, nxpk= 17, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 998, 999,
 &end
#
#   75 PHE  HB-          75 PHE  HN          4.50    (#    848:17  Unique         2.13, 2.66 A)
 &rst
  ixpk= 848, nxpk= 17, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1106,1107,
 &end
#
#   75 PHE  HB+          75 PHE  HN          4.50    (#    849:17  Unique         2.13, 2.66 A)
 &rst
  ixpk= 849, nxpk= 17, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1106,1107,
 &end
#
#    0 AMB  17-2:850     75 PHE  HN          4.50    (#    850:17  Single Ambig)
 &rst
  ixpk= 850, nxpk= 17, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1104,1073,
 &end
#
#   68 LEU  HN           69 ASP  HN          4.50    (#    851:17  Unique         2.68, 2.76 A)
 &rst
  ixpk= 851, nxpk= 17, iat= 994,1013, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   70 ALA  HN           69 ASP  HN          3.50    (#    852:17  Unique         2.18, 2.35 A)
 &rst
  ixpk= 852, nxpk= 17, iat=1025,1013, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    3 ILE  HB            3 ILE  HN          6.00    (#    856:17  Unique         2.30, 2.95 A)
 &rst
  ixpk= 856, nxpk= 17, iat=  36,  32, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:857      3 ILE  HN          6.00    (#    857:17  Single Ambig)
 &rst
  ixpk= 857, nxpk= 17, iat=  -1,  32, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=  45,  46,  47,  38,  39,  40,
 &end
#
#    0 AMB  17-2:858      5 VAL  HN          4.50    (#    858:17  Single Ambig)
 &rst
  ixpk= 858, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  53,  54,  53,  54,
 &end
#
#   47 TRP  HZ3           7 GLY  HN          6.00    (#    859:17  Unique         4.43, 4.56 A)
 &rst
  ixpk= 859, nxpk= 17, iat= 689,  88, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   19 VAL  HN           11 THR  HN          6.00    (#    860:17  Unique         5.75, 5.78 A)
 &rst
  ixpk= 860, nxpk= 17, iat= 270, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ASP  HA           12 ILE  HN          6.00    (#    861:17  Unique         4.67, 4.71 A)
 &rst
  ixpk= 861, nxpk= 17, iat= 190, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ASP  HB-          13 ASP  HN          6.00    (#    862:17  Unique         2.35, 2.88 A)
 &rst
  ixpk= 862, nxpk= 17, iat=  -1, 188, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 192, 193,
 &end
#
#   12 ILE  HN           13 ASP  HN          6.00    (#    863:17  Unique         3.96, 4.02 A)
 &rst
  ixpk= 863, nxpk= 17, iat= 169, 188, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 GLN  HN           14 GLY  HN          6.00    (#    864:17  Unique         4.56, 4.80 A)
 &rst
  ixpk= 864, nxpk= 17, iat= 221, 200, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLY  HA-          15 ASN  HN          4.50    (#    866:17  Unique         2.14, 2.74 A)
 &rst
  ixpk= 866, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 202, 203,
 &end
#
#   15 ASN  HD2+         15 ASN  HN          6.00    (#    869:17  Unique         4.66, 4.97 A)
 &rst
  ixpk= 869, nxpk= 17, iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 216, 217,
 &end
#
#   17 ALA  HN           16 GLN  HN          4.50    (#    870:17  Unique         4.31, 4.46 A)
 &rst
  ixpk= 870, nxpk= 17, iat= 238, 221, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  MB           16 GLN  HN          6.00    (#    871:17  Unique         5.50, 6.23 A)
 &rst
  ixpk= 871, nxpk= 17, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 242, 243, 244,
 &end
#
#   67 THR  HN           66 ASP  HN          3.50    (#    872:17  Unique         2.34, 2.49 A)
 &rst
  ixpk= 872, nxpk= 17, iat= 980, 968, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   16 GLN  HA           17 ALA  HN          3.50    (#    873:17  Unique         2.14, 2.38 A)
 &rst
  ixpk= 873, nxpk= 17, iat= 223, 238, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   17 ALA  HA           17 ALA  HN          4.50    (#    874:17  Unique         2.89, 2.91 A)
 &rst
  ixpk= 874, nxpk= 17, iat= 240, 238, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   17 ALA  MB           17 ALA  HN          3.50    (#    875:17  Unique         2.29, 3.30 A)
 &rst
  ixpk= 875, nxpk= 17, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 242, 243, 244,
 &end
#
#   16 GLN  HB+          17 ALA  HN          3.50    (#    876:17  Unique         2.32, 3.36 A)
 &rst
  ixpk= 876, nxpk= 17, iat=  -1, 238, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 225, 226,
 &end
#
#   11 THR  HN           20 ASP  HN          6.00    (#    877:17  Unique         5.28, 5.39 A)
 &rst
  ixpk= 877, nxpk= 17, iat= 155, 286, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   23 GLY  HN           21 VAL  HN          6.00    (#    878:17  Unique         4.27, 4.62 A)
 &rst
  ixpk= 878, nxpk= 17, iat= 325, 298, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   36 CYS  HB+          37 ASP  HN          6.00    (#    879:17  Unique         2.41, 3.59 A)
 &rst
  ixpk= 879, nxpk= 17, iat=  -1, 529, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 522, 523,
 &end
#
#    0 AMB  17-2:880     30 LEU  HN          6.00    (#    880:17  Single Ambig)
 &rst
  ixpk= 880, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 424, 425, 228, 229,
 &end
#
#   32 LEU  HG           33 VAL  HN          6.00    (#    881:17  Unique         3.94, 4.33 A)
 &rst
  ixpk= 881, nxpk= 17, iat= 472, 484, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   37 ASP  HN           36 CYS  HN          6.00    (#    882:17  Unique         4.12, 4.31 A)
 &rst
  ixpk= 882, nxpk= 17, iat= 529, 518, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGX          36 CYS  HN          6.00    (#    883:17  Unique         3.99, 6.26 A)
 &rst
  ixpk= 883, nxpk= 17, iat=  -1, 518, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   41 GLN  HA           37 ASP  HN          6.00    (#    884:17  Unique         4.54, 4.93 A)
 &rst
  ixpk= 884, nxpk= 17, iat= 579, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   38 GLU  HN           40 GLY  HN          6.00    (#    885:17  Unique         3.71, 3.92 A)
 &rst
  ixpk= 885, nxpk= 17, iat= 541, 570, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   51 HIS  HB+          52 VAL  HN          6.00    (#    886:17  Unique         2.73, 3.35 A)
 &rst
  ixpk= 886, nxpk= 17, iat=  -1, 764, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 751, 752,
 &end
#
#   32 LEU  HB+          55 ALA  HN          6.00    (#    888:17  Unique         3.43, 4.36 A)
 &rst
  ixpk= 888, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 469, 470,
 &end
#
#    0 AMB  17-2:889     55 ALA  HN          4.50    (#    889:17  Single Ambig)
 &rst
  ixpk= 889, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 410, 411, 412, 414, 415, 416, 410, 411, 412, 414,
       415, 416,
 &end
#
#   48 VAL  MGX          59 ILE  HN          6.00    (#    890:17  Unique         3.88, 5.49 A)
 &rst
  ixpk= 890, nxpk= 17, iat=  -1, 861, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 702, 703, 704, 706, 707, 708,
 &end
#
#   79 PRO  HB+          83 ALA  HN          6.00    (#    891:17  Unique         2.80, 5.37 A)
 &rst
  ixpk= 891, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1172,1173,
 &end
#
#   80 ASP  HB+          83 ALA  HN          6.00    (#    892:17  Unique         4.66, 5.59 A)
 &rst
  ixpk= 892, nxpk= 17, iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1183,1184,
 &end
#
#   49 LEU  HN           59 ILE  HN          6.00    (#    894:17  Unique         3.91, 4.35 A)
 &rst
  ixpk= 894, nxpk= 17, iat= 712, 861, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGY          33 VAL  HN          4.50    (#    895:17  Unique         1.93, 3.46 A)
 &rst
  ixpk= 895, nxpk= 17, iat=  -1, 484, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   59 ILE  MD1          60 ASN  HN          6.00    (#    896:17  Unique         3.76, 4.49 A)
 &rst
  ixpk= 896, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 874, 875, 876,
 &end
#
#   47 TRP  HN           61 GLU  HN          6.00    (#    897:17  Unique         4.08, 4.30 A)
 &rst
  ixpk= 897, nxpk= 17, iat= 672, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GLU  HB-          61 GLU  HN          3.50    (#    898:17  Unique         2.77, 3.19 A)
 &rst
  ixpk= 898, nxpk= 17, iat=  -1, 894, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#   61 GLU  HB-          62 ALA  HN          3.50    (#    899:17  Unique         3.15, 3.79 A)
 &rst
  ixpk= 899, nxpk= 17, iat=  -1, 909, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 898, 899,
 &end
#
#    0 AMB  17-2:900     65 ARG  HN          6.00    (#    900:17  Single Ambig)
 &rst
  ixpk= 900, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 954, 955, 954, 955,
 &end
#
#   71 LEU  HN           72 GLN  HN          3.50    (#    901:17  Unique         2.25, 2.46 A)
 &rst
  ixpk= 901, nxpk= 17, iat=1035,1054, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:902     76 ASP  HN          3.50    (#    902:17  Single Ambig)
 &rst
  ixpk= 902, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1124,1104,
 &end
#
#   77 VAL  HN           76 ASP  HN          3.50    (#    903:17  Unique         2.17, 2.61 A)
 &rst
  ixpk= 903, nxpk= 17, iat=1134,1122, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   76 ASP  HN           77 VAL  HN          6.00    (#    904:17  Unique         2.17, 2.61 A)
 &rst
  ixpk= 904, nxpk= 17, iat=1122,1134, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 ASP  HN           78 GLU  HN          4.50    (#    905:17  Unique         3.61, 5.57 A)
 &rst
  ixpk= 905, nxpk= 17, iat=1122,1150, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   78 GLU  HB-          81 VAL  HN          6.00    (#    910:17  Unique         3.26, 6.48 A)
 &rst
  ixpk= 910, nxpk= 17, iat=  -1,1191, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1154,1155,
 &end
#
#   47 TRP  HB+           7 GLY  HN          6.00    (#    911:17  Unique         3.02, 4.34 A)
 &rst
  ixpk= 911, nxpk= 17, iat=  -1,  88, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   58 VAL  MGX          46 GLN  HE2+        6.00    (#    912:17  Unique         3.27, 6.21 A)
 &rst
  ixpk= 912, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 851, 852, 853, 855, 856, 857,
 igr2= 667, 668,
 &end
#
#   84 LEU  HN           83 ALA  HN          4.50    (#    913:17  Unique         2.13, 2.47 A)
 &rst
  ixpk= 913, nxpk= 17, iat=1224,1214, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   62 ALA  HA           61 GLU  HN          6.00    (#    915:17  Unique         4.97, 5.02 A)
 &rst
  ixpk= 915, nxpk= 17, iat= 911, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 VAL  HA           85 LEU  HN          6.00    (#    916:17  Unique         3.78, 4.18 A)
 &rst
  ixpk= 916, nxpk= 17, iat=1193,1243, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   82 GLY  HA-          85 LEU  HN          6.00    (#    917:17  Unique         3.22, 4.29 A)
 &rst
  ixpk= 917, nxpk= 17, iat=  -1,1243, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1209,1210,
 &end
#
#   31 THR  HB           32 LEU  HN          6.00    (#    918:17  Unique         3.74, 4.02 A)
 &rst
  ixpk= 918, nxpk= 17, iat= 455, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   33 VAL  MGY          35 SER  HN          6.00    (#    919:17  Unique         1.93, 4.62 A)
 &rst
  ixpk= 919, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   30 LEU  MDY          35 SER  HN          6.00    (#    920:17  Unique         3.15, 5.13 A)
 &rst
  ixpk= 920, nxpk= 17, iat=  -1, 507, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 441, 442, 443, 445, 446, 447,
 &end
#
#   86 TYR  HB+          87 GLY  HN          6.00    (#    922:17  Unique         2.16, 3.15 A)
 &rst
  ixpk= 922, nxpk= 17, iat=  -1,1283, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1266,1267,
 &end
#
#   88 GLU  HB+          88 GLU  HN          6.00    (#    923:17  Unique         2.19, 3.00 A)
 &rst
  ixpk= 923, nxpk= 17, iat=  -1,1290, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1294,1295,
 &end
#
#   79 PRO  HA           83 ALA  HN          6.00    (#    924:17  Unique         4.21, 5.43 A)
 &rst
  ixpk= 924, nxpk= 17, iat=1175,1214, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   18 LYS  HD+          25 GLN  HE2+        6.00    (#    927:17  Unique         1.93, 3.68 A)
 &rst
  ixpk= 927, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 363, 364,
 &end
#
#   18 LYS  HD-          25 GLN  HE2+        6.00    (#    928:17  Unique         1.93, 3.68 A)
 &rst
  ixpk= 928, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 363, 364,
 &end
#
#   25 GLN  HB-          25 GLN  HE2+        6.00    (#    929:17  Unique         2.01, 3.03 A)
 &rst
  ixpk= 929, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 355, 356,
 igr2= 363, 364,
 &end
#
#    0 AMB  17-2:930      0 AMB  17-1:930    4.50    (#    930:17  Double Ambig)
 &rst
  ixpk= 930, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.14, r4= 7.64,
 igr1= 355, 356, 358, 359,
 igr2= 363, 364, 363, 364,
 &end
#
#   25 GLN  HG+          25 GLN  HE2+        4.50    (#    931:17  Unique         2.65, 3.52 A)
 &rst
  ixpk= 931, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 358, 359,
 igr2= 363, 364,
 &end
#
#   18 LYS  HD+          25 GLN  HE2-        6.00    (#    932:17  Unique         1.93, 3.68 A)
 &rst
  ixpk= 932, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 363, 364,
 &end
#
#   25 GLN  HB-          25 GLN  HE2-        6.00    (#    933:17  Unique         2.01, 3.03 A)
 &rst
  ixpk= 933, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 355, 356,
 igr2= 363, 364,
 &end
#
#   18 LYS  HD-          25 GLN  HE2-        6.00    (#    934:17  Unique         1.93, 3.68 A)
 &rst
  ixpk= 934, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 258, 259,
 igr2= 363, 364,
 &end
#
#    0 AMB  17-2:935     25 GLN  HE2-        6.00    (#    935:17  Single Ambig)
 &rst
  ixpk= 935, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 355, 356, 358, 359,
 igr2= 363, 364,
 &end
#
#   25 GLN  HG+          25 GLN  HE2-        6.00    (#    936:17  Unique         2.65, 3.52 A)
 &rst
  ixpk= 936, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 358, 359,
 igr2= 363, 364,
 &end
#
#   25 GLN  HN           25 GLN  HE2+        6.00    (#    939:17  Unique         4.13, 5.05 A)
 &rst
  ixpk= 939, nxpk= 17, iat= 351,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#    0 AMB  17-2:942     47 TRP  HE1         2.80    (#    942:17  Single Ambig)
 &rst
  ixpk= 942, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 680, 685,
 &end
#
#   47 TRP  HH2          47 TRP  HE1         6.00    (#    943:17  Unique         4.96, 4.97 A)
 &rst
  ixpk= 943, nxpk= 17, iat= 687, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 GLN  HE2-         47 TRP  HE1         6.00    (#    944:17  Unique         2.68, 3.24 A)
 &rst
  ixpk= 944, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 107, 108,
 &end
#
#   61 GLU  HN           47 TRP  HE1         6.00    (#    945:17  Unique         4.93, 5.29 A)
 &rst
  ixpk= 945, nxpk= 17, iat= 894, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:946     47 TRP  HE1         6.00    (#    946:17  Single Ambig)
 &rst
  ixpk= 946, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 672, 112,
 &end
#
#   46 GLN  HA           47 TRP  HE1         6.00    (#    947:17  Unique         5.12, 5.28 A)
 &rst
  ixpk= 947, nxpk= 17, iat= 657, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HB+          47 TRP  HE1         6.00    (#    948:17  Unique         4.94, 5.11 A)
 &rst
  ixpk= 948, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 676, 677,
 &end
#
#   61 GLU  HA           47 TRP  HE1         6.00    (#    949:17  Unique         3.72, 3.87 A)
 &rst
  ixpk= 949, nxpk= 17, iat= 896, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   61 GLU  HG+          47 TRP  HE1         3.50    (#    950:17  Unique         2.28, 3.48 A)
 &rst
  ixpk= 950, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 901, 902,
 &end
#
#    8 GLN  HG-          47 TRP  HE1         6.00    (#    951:17  Unique         2.26, 3.12 A)
 &rst
  ixpk= 951, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#   16 GLN  HB+          16 GLN  HE2+        4.50    (#    953:17  Unique         1.95, 3.24 A)
 &rst
  ixpk= 953, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 225, 226,
 igr2= 233, 234,
 &end
#
#    0 AMB  17-2:954      0 AMB  17-1:954    2.80    (#    954:17  Double Ambig)
 &rst
  ixpk= 954, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.44, r4= 4.94,
 igr1= 228, 229, 228, 229,
 igr2= 233, 234, 233, 234,
 &end
#
#   27 ASP  HB+          16 GLN  HE2+        6.00    (#    955:17  Unique         1.94, 4.53 A)
 &rst
  ixpk= 955, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 396, 397,
 igr2= 233, 234,
 &end
#
#   27 ASP  HB+          16 GLN  HE2-        6.00    (#    956:17  Unique         1.94, 4.53 A)
 &rst
  ixpk= 956, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 396, 397,
 igr2= 233, 234,
 &end
#
#   16 GLN  HB+          16 GLN  HE2-        4.50    (#    957:17  Unique         1.95, 3.24 A)
 &rst
  ixpk= 957, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 225, 226,
 igr2= 233, 234,
 &end
#
#    0 AMB  17-2:958     16 GLN  HE2-        3.50    (#    958:17  Single Ambig)
 &rst
  ixpk= 958, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.95, r4= 5.45,
 igr1= 228, 229, 228, 229,
 igr2= 233, 234,
 &end
#
#   15 ASN  HB-          16 GLN  HE2-        6.00    (#    959:17  Unique         5.20, 7.63 A)
 &rst
  ixpk= 959, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 211, 212,
 igr2= 233, 234,
 &end
#
#   15 ASN  HB-          16 GLN  HE2+        6.00    (#    960:17  Unique         5.20, 7.63 A)
 &rst
  ixpk= 960, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 211, 212,
 igr2= 233, 234,
 &end
#
#   15 ASN  HB-          15 ASN  HD2+        4.50    (#    963:17  Unique         2.12, 3.23 A)
 &rst
  ixpk= 963, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 211, 212,
 igr2= 216, 217,
 &end
#
#   15 ASN  HB+          15 ASN  HD2+        6.00    (#    964:17  Unique         2.12, 3.23 A)
 &rst
  ixpk= 964, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 211, 212,
 igr2= 216, 217,
 &end
#
#   31 THR  HA           15 ASN  HD2+        6.00    (#    965:17  Unique         2.74, 3.98 A)
 &rst
  ixpk= 965, nxpk= 17, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 216, 217,
 &end
#
#   15 ASN  HB-          15 ASN  HD2-        6.00    (#    967:17  Unique         2.12, 3.23 A)
 &rst
  ixpk= 967, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 211, 212,
 igr2= 216, 217,
 &end
#
#   15 ASN  HB+          15 ASN  HD2-        6.00    (#    968:17  Unique         2.12, 3.23 A)
 &rst
  ixpk= 968, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 211, 212,
 igr2= 216, 217,
 &end
#
#   31 THR  HA           15 ASN  HD2-        6.00    (#    969:17  Unique         2.74, 3.98 A)
 &rst
  ixpk= 969, nxpk= 17, iat= 453,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 216, 217,
 &end
#
#   31 THR  MG2          15 ASN  HD2+        6.00    (#    971:17  Unique         2.25, 4.49 A)
 &rst
  ixpk= 971, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 457, 458, 459,
 igr2= 216, 217,
 &end
#
#   31 THR  MG2          15 ASN  HD2-        6.00    (#    972:17  Unique         2.25, 4.49 A)
 &rst
  ixpk= 972, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 457, 458, 459,
 igr2= 216, 217,
 &end
#
#    8 GLN  HB-           8 GLN  HE2+        6.00    (#    973:17  Unique         4.28, 4.51 A)
 &rst
  ixpk= 973, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 107, 108,
 &end
#
#    8 GLN  HB-           8 GLN  HE2-        6.00    (#    974:17  Unique         4.28, 4.51 A)
 &rst
  ixpk= 974, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=  99, 100,
 igr2= 107, 108,
 &end
#
#    8 GLN  HG-           8 GLN  HE2+        4.50    (#    975:17  Unique         2.37, 3.08 A)
 &rst
  ixpk= 975, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 102, 103,
 igr2= 107, 108,
 &end
#
#    8 GLN  HG-           8 GLN  HE2-        6.00    (#    976:17  Unique         2.37, 3.08 A)
 &rst
  ixpk= 976, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 107, 108,
 &end
#
#    8 GLN  HG+           8 GLN  HE2+        6.00    (#    977:17  Unique         2.37, 3.08 A)
 &rst
  ixpk= 977, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 107, 108,
 &end
#
#    8 GLN  HG+           8 GLN  HE2-        6.00    (#    978:17  Unique         2.37, 3.08 A)
 &rst
  ixpk= 978, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 102, 103,
 igr2= 107, 108,
 &end
#
#   45 GLY  HA-           8 GLN  HE2-        6.00    (#    979:17  Unique         2.27, 3.93 A)
 &rst
  ixpk= 979, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 107, 108,
 &end
#
#   45 GLY  HA-           8 GLN  HE2+        6.00    (#    980:17  Unique         2.27, 3.93 A)
 &rst
  ixpk= 980, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 107, 108,
 &end
#
#   45 GLY  HA+           8 GLN  HE2+        6.00    (#    981:17  Unique         2.27, 3.93 A)
 &rst
  ixpk= 981, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 107, 108,
 &end
#
#   45 GLY  HA+           8 GLN  HE2-        6.00    (#    982:17  Unique         2.27, 3.93 A)
 &rst
  ixpk= 982, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 650, 651,
 igr2= 107, 108,
 &end
#
#   47 TRP  HE1           8 GLN  HE2+        6.00    (#    983:17  Unique         2.68, 3.24 A)
 &rst
  ixpk= 983, nxpk= 17, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#   47 TRP  HE1           8 GLN  HE2-        6.00    (#    984:17  Unique         2.68, 3.24 A)
 &rst
  ixpk= 984, nxpk= 17, iat= 682,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#   39 ASN  HB-          39 ASN  HD2-        4.50    (#    985:17  Unique         2.19, 3.38 A)
 &rst
  ixpk= 985, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 560, 561,
 igr2= 565, 566,
 &end
#
#   39 ASN  HB+          39 ASN  HD2-        6.00    (#    986:17  Unique         2.19, 3.38 A)
 &rst
  ixpk= 986, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 565, 566,
 &end
#
#   38 GLU  HB+          39 ASN  HD2-        6.00    (#    987:17  Unique         2.87, 4.51 A)
 &rst
  ixpk= 987, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546,
 igr2= 565, 566,
 &end
#
#   38 GLU  HB+          39 ASN  HD2+        6.00    (#    990:17  Unique         2.87, 4.51 A)
 &rst
  ixpk= 990, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546,
 igr2= 565, 566,
 &end
#
#   39 ASN  HB-          39 ASN  HD2+        6.00    (#    991:17  Unique         2.19, 3.38 A)
 &rst
  ixpk= 991, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 565, 566,
 &end
#
#   39 ASN  HB+          39 ASN  HD2+        6.00    (#    992:17  Unique         2.19, 3.38 A)
 &rst
  ixpk= 992, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 565, 566,
 &end
#
#   39 ASN  HA           39 ASN  HD2+        6.00    (#    993:17  Unique         2.72, 3.40 A)
 &rst
  ixpk= 993, nxpk= 17, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#   39 ASN  HA           39 ASN  HD2-        6.00    (#    994:17  Unique         2.72, 3.40 A)
 &rst
  ixpk= 994, nxpk= 17, iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#   39 ASN  HN           39 ASN  HD2-        4.50    (#    995:17  Unique         2.26, 3.93 A)
 &rst
  ixpk= 995, nxpk= 17, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2= 565, 566,
 &end
#
#   39 ASN  HN           39 ASN  HD2+        6.00    (#    996:17  Unique         2.26, 3.93 A)
 &rst
  ixpk= 996, nxpk= 17, iat= 556,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 565, 566,
 &end
#
#   41 GLN  HG+          41 GLN  HE2+        6.00    (#    997:17  Unique         2.12, 3.27 A)
 &rst
  ixpk= 997, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 584, 585,
 igr2= 589, 590,
 &end
#
#   41 GLN  HG-          41 GLN  HE2+        4.50    (#    998:17  Unique         2.12, 3.27 A)
 &rst
  ixpk= 998, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 584, 585,
 igr2= 589, 590,
 &end
#
#   41 GLN  HG+          41 GLN  HE2-        6.00    (#    999:17  Unique         2.12, 3.27 A)
 &rst
  ixpk= 999, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 584, 585,
 igr2= 589, 590,
 &end
#
#   41 GLN  HG-          41 GLN  HE2-        6.00    (#   1000:17  Unique         2.12, 3.27 A)
 &rst
  ixpk= 1000, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 584, 585,
 igr2= 589, 590,
 &end
#
#    0 AMB  17-2:1001    41 GLN  HE2-        6.00    (#   1001:17  Single Ambig)
 &rst
  ixpk= 1001, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 595, 596, 572, 573,
 igr2= 589, 590,
 &end
#
#   38 GLU  HB+          41 GLN  HE2+        6.00    (#   1002:17  Unique         3.75, 9.97 A)
 &rst
  ixpk= 1002, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 545, 546,
 igr2= 589, 590,
 &end
#
#   63 GLU  HG+          60 ASN  HD2+        6.00    (#   1003:17  Unique         1.95, 3.11 A)
 &rst
  ixpk= 1003, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 926, 927,
 igr2= 889, 890,
 &end
#
#   40 GLY  HA+          41 GLN  HE2-        6.00    (#   1004:17  Unique         3.90, 5.98 A)
 &rst
  ixpk= 1004, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 589, 590,
 &end
#
#   40 GLY  HA+          41 GLN  HE2+        6.00    (#   1007:17  Unique         3.90, 5.98 A)
 &rst
  ixpk= 1007, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 572, 573,
 igr2= 589, 590,
 &end
#
#   60 ASN  HB-          60 ASN  HD2-        4.50    (#   1008:17  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1008, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 889, 890,
 &end
#
#   60 ASN  HB+          60 ASN  HD2-        4.50    (#   1009:17  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1009, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 889, 890,
 &end
#
#   60 ASN  HB-          60 ASN  HD2+        4.50    (#   1010:17  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1010, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 889, 890,
 &end
#
#   60 ASN  HB+          60 ASN  HD2+        4.50    (#   1011:17  Unique         2.28, 3.35 A)
 &rst
  ixpk= 1011, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1= 884, 885,
 igr2= 889, 890,
 &end
#
#   62 ALA  MB           60 ASN  HD2+        6.00    (#   1012:17  Unique         2.67, 4.56 A)
 &rst
  ixpk= 1012, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 889, 890,
 &end
#
#   62 ALA  MB           60 ASN  HD2-        6.00    (#   1013:17  Unique         2.67, 4.56 A)
 &rst
  ixpk= 1013, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 913, 914, 915,
 igr2= 889, 890,
 &end
#
#   61 GLU  HN           60 ASN  HD2-        6.00    (#   1016:17  Unique         4.26, 5.00 A)
 &rst
  ixpk= 1016, nxpk= 17, iat= 894,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   60 ASN  HN           60 ASN  HD2+        6.00    (#   1017:17  Unique         2.21, 2.58 A)
 &rst
  ixpk= 1017, nxpk= 17, iat= 880,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   63 GLU  HG-          60 ASN  HD2-        6.00    (#   1018:17  Unique         1.95, 3.11 A)
 &rst
  ixpk= 1018, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 926, 927,
 igr2= 889, 890,
 &end
#
#   63 GLU  HG-          60 ASN  HD2+        6.00    (#   1019:17  Unique         1.95, 3.11 A)
 &rst
  ixpk= 1019, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 926, 927,
 igr2= 889, 890,
 &end
#
#   72 GLN  HG+          72 GLN  HE2+        3.50    (#   1020:17  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1020, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1061,1062,
 igr2=1066,1067,
 &end
#
#   72 GLN  HG+          72 GLN  HE2-        4.50    (#   1021:17  Unique         2.12, 3.20 A)
 &rst
  ixpk= 1021, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1061,1062,
 igr2=1066,1067,
 &end
#
#    0 AMB  17-2:1022     0 AMB  17-1:1022   6.00    (#   1022:17  Double Ambig)
 &rst
  ixpk= 1022, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=11.44, r4=11.94,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1066,1067,1066,1067,
 &end
#
#    0 AMB  17-2:1023    72 GLN  HE2-        6.00    (#   1023:17  Single Ambig)
 &rst
  ixpk= 1023, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.19, r4=10.69,
 igr1=1044,1045,1046,1048,1049,1050,1044,1045,1046,1048,
      1049,1050,
 igr2=1066,1067,
 &end
#
#   73 ASN  HB-          73 ASN  HD2+        4.50    (#   1024:17  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1024, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1075,1076,
 igr2=1080,1081,
 &end
#
#   73 ASN  HB-          73 ASN  HD2-        6.00    (#   1025:17  Unique         2.11, 3.30 A)
 &rst
  ixpk= 1025, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1075,1076,
 igr2=1080,1081,
 &end
#
#    0 AMB  17-2:1026     0 AMB  17-1:1026   6.00    (#   1026:17  Double Ambig)
 &rst
  ixpk= 1026, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1058,1059,1058,1059,
 igr2=1080,1081,1080,1081,
 &end
#
#   70 ALA  HA           73 ASN  HD2+        6.00    (#   1027:17  Unique         2.25, 3.98 A)
 &rst
  ixpk= 1027, nxpk= 17, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1080,1081,
 &end
#
#   70 ALA  HA           73 ASN  HD2-        6.00    (#   1028:17  Unique         2.25, 3.98 A)
 &rst
  ixpk= 1028, nxpk= 17, iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1080,1081,
 &end
#
#   70 ALA  MB           73 ASN  HD2+        6.00    (#   1029:17  Unique         3.87, 6.43 A)
 &rst
  ixpk= 1029, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1029,1030,1031,
 igr2=1080,1081,
 &end
#
#    0 AMB  17-2:1030    73 ASN  HD2-        6.00    (#   1030:17  Single Ambig)
 &rst
  ixpk= 1030, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1058,1059,1058,1059,
 igr2=1080,1081,
 &end
#
#   73 ASN  HA           73 ASN  HD2+        6.00    (#   1031:17  Unique         2.62, 3.88 A)
 &rst
  ixpk= 1031, nxpk= 17, iat=1073,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1080,1081,
 &end
#
#    0 AMB  17-2:1033     0 AMB  17-1:1033   3.50    (#   1033:17  Double Ambig)
 &rst
  ixpk= 1033, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 659, 660, 662, 663, 662, 663,
 igr2= 667, 668, 667, 668, 667, 668,
 &end
#
#    0 AMB  17-2:1034     0 AMB  17-1:1034   6.00    (#   1034:17  Double Ambig)
 &rst
  ixpk= 1034, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3=10.69, r4=11.19,
 igr1= 615, 616, 851, 852, 853, 855, 856, 857,
 igr2= 667, 668, 667, 668,
 &end
#
#    0 AMB  17-2:1035    46 GLN  HE2-        6.00    (#   1035:17  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 615, 616, 851, 852, 853, 855, 856, 857,
 igr2= 667, 668,
 &end
#
#    0 AMB  17-2:1036    46 GLN  HE2-        4.50    (#   1036:17  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1= 659, 660, 662, 663, 662, 663,
 igr2= 667, 668,
 &end
#
#   37 ASP  HB-          46 GLN  HE2-        6.00    (#   1037:17  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1037, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 667, 668,
 &end
#
#   43 ARG  HA           46 GLN  HE2+        6.00    (#   1038:17  Unique         1.99, 3.39 A)
 &rst
  ixpk= 1038, nxpk= 17, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 667, 668,
 &end
#
#    0 AMB  17-2:1039     0 AMB  17-1:1039   6.00    (#   1039:17  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 531, 657,
 igr2= 667, 668, 667, 668,
 &end
#
#   43 ARG  HA           46 GLN  HE2-        6.00    (#   1040:17  Unique         1.99, 3.39 A)
 &rst
  ixpk= 1040, nxpk= 17, iat= 610,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 667, 668,
 &end
#
#    0 AMB  17-2:1041    46 GLN  HE2-        6.00    (#   1041:17  Single Ambig)
 &rst
  ixpk= 1041, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 531, 657,
 igr2= 667, 668,
 &end
#
#   37 ASP  HB+          46 GLN  HE2-        6.00    (#   1042:17  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1042, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 667, 668,
 &end
#
#   37 ASP  HB+          46 GLN  HE2+        6.00    (#   1043:17  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1043, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 667, 668,
 &end
#
#   37 ASP  HB-          46 GLN  HE2+        6.00    (#   1044:17  Unique         2.17, 4.01 A)
 &rst
  ixpk= 1044, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 667, 668,
 &end
#
#   46 GLN  HB-          46 GLN  HE2+        6.00    (#   1045:17  Unique         1.95, 3.53 A)
 &rst
  ixpk= 1045, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 659, 660,
 igr2= 667, 668,
 &end
#
#   46 GLN  HB-          46 GLN  HE2-        6.00    (#   1046:17  Unique         1.95, 3.53 A)
 &rst
  ixpk= 1046, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 659, 660,
 igr2= 667, 668,
 &end
#
#   43 ARG  HG+          46 GLN  HE2-        6.00    (#   1048:17  Unique         2.65, 4.93 A)
 &rst
  ixpk= 1048, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 615, 616,
 igr2= 667, 668,
 &end
#
#   54 PHE  HA           54 PHE  HN          4.50    (#   1049:17  Unique         2.89, 2.90 A)
 &rst
  ixpk= 1049, nxpk= 17, iat= 789, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HA-          54 PHE  HN          6.00    (#   1050:17  Unique         2.76, 3.23 A)
 &rst
  ixpk= 1050, nxpk= 17, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 782, 783,
 &end
#
#   54 PHE  HB+          54 PHE  HN          4.50    (#   1051:17  Unique         2.65, 3.39 A)
 &rst
  ixpk= 1051, nxpk= 17, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   54 PHE  HB-          54 PHE  HN          4.50    (#   1052:17  Unique         2.65, 3.39 A)
 &rst
  ixpk= 1052, nxpk= 17, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 791, 792,
 &end
#
#   54 PHE  HD           54 PHE  HN          4.50    (#   1053:17  Unique         2.15, 4.04 A)
 &rst
  ixpk= 1053, nxpk= 17, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 795, 803,
 &end
#
#   51 HIS  HN           54 PHE  HN          6.00    (#   1054:17  Unique         3.40, 3.95 A)
 &rst
  ixpk= 1054, nxpk= 17, iat= 747, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 VAL  MGX          54 PHE  HN          6.00    (#   1055:17  Unique         5.05, 7.85 A)
 &rst
  ixpk= 1055, nxpk= 17, iat=  -1, 787, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 737, 738, 739, 741, 742, 743,
 &end
#
#    0 AMB  17-2:1056     0 AMB  17-1:1056   6.00    (#   1056:17  Double Ambig)
 &rst
  ixpk= 1056, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1=1058,1059,1058,1059,
 igr2=1066,1067,1066,1067,
 &end
#
#    0 AMB  17-2:1057    72 GLN  HE2-        6.00    (#   1057:17  Single Ambig)
 &rst
  ixpk= 1057, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1=1058,1059,1058,1059,
 igr2=1066,1067,
 &end
#
#    9 ILE  HN            8 GLN  HE2+        6.00    (#   1058:17  Unique         4.83, 5.67 A)
 &rst
  ixpk= 1058, nxpk= 17, iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#   43 ARG  HD+          43 ARG  HE          6.00    (#   1059:17  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1059, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 618, 619,
 &end
#
#   43 ARG  HD-          43 ARG  HE          4.50    (#   1060:17  Unique         2.27, 2.66 A)
 &rst
  ixpk= 1060, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 618, 619,
 &end
#
#   33 VAL  HB           43 ARG  HE          6.00    (#   1061:17  Unique         2.94, 4.53 A)
 &rst
  ixpk= 1061, nxpk= 17, iat= 488, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   43 ARG  HB+          43 ARG  HE          6.00    (#   1062:17  Unique         2.13, 3.98 A)
 &rst
  ixpk= 1062, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 612, 613,
 &end
#
#   43 ARG  HG+          43 ARG  HE          6.00    (#   1063:17  Unique         2.11, 3.17 A)
 &rst
  ixpk= 1063, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 615, 616,
 &end
#
#    0 AMB  17-2:1064    43 ARG  HE          6.00    (#   1064:17  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 8.81, r4= 9.31,
 igr1= 851, 852, 853, 855, 856, 857, 615, 616, 612, 613,
      
 &end
#
#   33 VAL  MGX          43 ARG  HE          6.00    (#   1065:17  Unique         2.53, 5.86 A)
 &rst
  ixpk= 1065, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 490, 491, 492, 494, 495, 496,
 &end
#
#   35 SER  HA           43 ARG  HE          6.00    (#   1066:17  Unique         1.94, 3.95 A)
 &rst
  ixpk= 1066, nxpk= 17, iat= 509, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   34 GLY  HA+          43 ARG  HE          6.00    (#   1067:17  Unique         4.44, 6.91 A)
 &rst
  ixpk= 1067, nxpk= 17, iat=  -1, 621, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 502, 503,
 &end
#
#    0 AMB  17-2:1070    65 ARG  HE          6.00    (#   1070:17  Single Ambig)
 &rst
  ixpk= 1070, nxpk= 17, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 954, 955, 954, 955,
 &end
#
#   65 ARG  HG+          65 ARG  HE          6.00    (#   1071:17  Unique         2.13, 2.96 A)
 &rst
  ixpk= 1071, nxpk= 17, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 951, 952,
 &end
#
#   61 GLU  HB+          65 ARG  HE          6.00    (#   1072:17  Unique         3.40, 6.93 A)
 &rst
  ixpk= 1072, nxpk= 17, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 898, 899,
 &end
#
#    0 AMB  17-2:1073    10 ARG  HE          6.00    (#   1073:17  Single Ambig)
 &rst
  ixpk= 1073, nxpk= 17, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 138, 139, 138, 139,
 &end
#
#   10 ARG  HD-          10 ARG  HE          6.00    (#   1075:17  Unique         2.28, 2.73 A)
 &rst
  ixpk= 1075, nxpk= 17, iat=  -1, 144, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 141, 142,
 &end
#
#   26 ARG  HD+          26 ARG  HE          6.00    (#   1077:17  Unique         2.28, 2.72 A)
 &rst
  ixpk= 1077, nxpk= 17, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   26 ARG  HB+          26 ARG  HE          6.00    (#   1078:17  Unique         1.99, 3.50 A)
 &rst
  ixpk= 1078, nxpk= 17, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 372, 373,
 &end
#
#   24 ILE  MG2          26 ARG  HE          6.00    (#   1079:17  Unique         3.12, 5.21 A)
 &rst
  ixpk= 1079, nxpk= 17, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 338, 339, 340,
 &end
#
#   21 VAL  HB           26 ARG  HE          6.00    (#   1080:17  Unique         4.43, 6.20 A)
 &rst
  ixpk= 1080, nxpk= 17, iat= 302, 381, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ASP  HB+          70 ALA  HN          4.50    (#   1082:17  Unique         2.60, 3.30 A)
 &rst
  ixpk= 1082, nxpk= 17, iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1017,1018,
 &end
#
#    8 GLN  HG+           9 ILE  HN          6.00    (#   1083:17  Unique         2.87, 3.05 A)
 &rst
  ixpk= 1083, nxpk= 17, iat=  -1, 112, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    9 ILE  HN           10 ARG  HN          6.00    (#   1084:17  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1084, nxpk= 17, iat= 112, 131, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:1085    47 TRP  HE1         6.00    (#   1085:17  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 938, 939, 940, 122, 123,
 &end
#
#    8 GLN  HG+          47 TRP  HE1         6.00    (#   1086:17  Unique         2.26, 3.12 A)
 &rst
  ixpk= 1086, nxpk= 17, iat=  -1, 682, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 102, 103,
 &end
#
#    8 GLN  HA           47 TRP  HE1         6.00    (#   1087:17  Unique         3.75, 3.96 A)
 &rst
  ixpk= 1087, nxpk= 17, iat=  97, 682, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    8 GLN  HB-          20 ASP  HN          6.00    (#   1088:17  Unique         3.20, 3.60 A)
 &rst
  ixpk= 1088, nxpk= 17, iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  99, 100,
 &end
#
#   45 GLY  HN            9 ILE  HN          6.00    (#   1089:17  Unique         5.58, 5.71 A)
 &rst
  ixpk= 1089, nxpk= 17, iat= 648, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   48 VAL  HN            9 ILE  HN          6.00    (#   1090:17  Unique         4.14, 4.38 A)
 &rst
  ixpk= 1090, nxpk= 17, iat= 696, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HN            9 ILE  HN          6.00    (#   1091:17  Unique         3.01, 3.03 A)
 &rst
  ixpk= 1091, nxpk= 17, iat= 131, 112, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   16 GLN  HE2-         30 LEU  HN          6.00    (#   1092:17  Unique         5.12, 6.54 A)
 &rst
  ixpk= 1092, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 233, 234,
 &end
#
#    0 AMB  17-2:1093    30 LEU  HN          6.00    (#   1093:17  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 17, iat=  -1, 432, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 420, 500,
 &end
#
#   29 ASP  HB-          29 ASP  HN          3.50    (#   1094:17  Unique         2.10, 2.64 A)
 &rst
  ixpk= 1094, nxpk= 17, iat=  -1, 420, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 424, 425,
 &end
#
#   27 ASP  HB-           0 AMB  17-1:1095   6.00    (#   1095:17  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 396, 397,
 igr2= 238, 270,
 &end
#
#   26 ARG  HD+          26 ARG  HN          6.00    (#   1096:17  Unique         3.67, 4.26 A)
 &rst
  ixpk= 1096, nxpk= 17, iat=  -1, 368, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 378, 379,
 &end
#
#   50 VAL  HA           50 VAL  HN          3.50    (#   1098:17  Unique         2.87, 2.91 A)
 &rst
  ixpk= 1098, nxpk= 17, iat= 733, 731, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   27 ASP  HA            0 AMB  17-1:1099   6.00    (#   1099:17  Single Ambig)
 &rst
  ixpk= 1099, nxpk= 17, iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 238, 368,
 &end
#
#   16 GLN  HN           17 ALA  HN          6.00    (#   1100:17  Unique         4.31, 4.46 A)
 &rst
  ixpk= 1100, nxpk= 17, iat= 221, 238, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:1102     0 AMB  17-1:1102   6.00    (#   1102:17  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 351, 286,
 igr2= 368, 270,
 &end
#
#   21 VAL  HN           26 ARG  HN          4.50    (#   1103:17  Unique         3.29, 3.39 A)
 &rst
  ixpk= 1103, nxpk= 17, iat= 298, 368, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   53 GLY  HN           52 VAL  HN          6.00    (#   1105:17  Unique         2.81, 2.89 A)
 &rst
  ixpk= 1105, nxpk= 17, iat= 780, 764, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   27 ASP  HN           28 VAL  HN          6.00    (#   1106:17  Unique         4.26, 4.47 A)
 &rst
  ixpk= 1106, nxpk= 17, iat= 392, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HN           28 VAL  HN          6.00    (#   1107:17  Unique         4.26, 4.32 A)
 &rst
  ixpk= 1107, nxpk= 17, iat= 420, 404, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   29 ASP  HB+          55 ALA  HN          6.00    (#   1109:17  Unique         3.61, 4.53 A)
 &rst
  ixpk= 1109, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 424, 425,
 &end
#
#    0 AMB  17-2:1110    55 ALA  HN          6.00    (#   1110:17  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 17, iat=  -1, 807, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 436, 437, 408,
 &end
#
#   47 TRP  HA            8 GLN  HN          6.00    (#   1111:17  Unique         4.83, 4.98 A)
 &rst
  ixpk= 1111, nxpk= 17, iat= 674,  95, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:1112    47 TRP  HN          6.00    (#   1112:17  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 17, iat=  -1, 672, r1= 1.30, r2= 1.80, r3= 9.42, r4= 9.92,
 igr1= 874, 875, 876, 702, 703, 704, 706, 707, 708, 721,
       722, 723, 725, 726, 727,
 &end
#
#   60 ASN  HA           47 TRP  HN          6.00    (#   1113:17  Unique         2.38, 2.54 A)
 &rst
  ixpk= 1113, nxpk= 17, iat= 882, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   47 TRP  HE3          47 TRP  HN          6.00    (#   1114:17  Unique         5.73, 5.77 A)
 &rst
  ixpk= 1114, nxpk= 17, iat= 691, 672, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   39 ASN  HA           41 GLN  HN          6.00    (#   1117:17  Unique         4.43, 4.57 A)
 &rst
  ixpk= 1117, nxpk= 17, iat= 558, 577, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   42 PRO  HD+          41 GLN  HN          6.00    (#   1118:17  Unique         4.73, 4.91 A)
 &rst
  ixpk= 1118, nxpk= 17, iat=  -1, 577, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 595, 596,
 &end
#
#   18 LYS  HN           12 ILE  HN          6.00    (#   1119:17  Unique         4.52, 4.61 A)
 &rst
  ixpk= 1119, nxpk= 17, iat= 248, 169, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   13 ASP  HB-          12 ILE  HN          6.00    (#   1120:17  Unique         4.77, 5.62 A)
 &rst
  ixpk= 1120, nxpk= 17, iat=  -1, 169, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 192, 193,
 &end
#
#   63 GLU  HN           61 GLU  HN          6.00    (#   1121:17  Unique         4.48, 4.61 A)
 &rst
  ixpk= 1121, nxpk= 17, iat= 919, 894, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   55 ALA  HN           54 PHE  HN          6.00    (#   1122:17  Unique         4.32, 4.35 A)
 &rst
  ixpk= 1122, nxpk= 17, iat= 807, 787, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   53 GLY  HN           54 PHE  HN          4.50    (#   1123:17  Unique         1.83, 1.89 A)
 &rst
  ixpk= 1123, nxpk= 17, iat= 780, 787, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   75 PHE  HD           76 ASP  HN          6.00    (#   1125:17  Unique         2.37, 4.76 A)
 &rst
  ixpk= 1125, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1110,1118,
 &end
#
#    0 AMB  17-2:1126    76 ASP  HN          4.50    (#   1126:17  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.81, r4= 7.31,
 igr1=1140,1141,1142,1144,1145,1146,1140,1141,1142,1144,
      1145,1146,
 &end
#
#   89 GLU  HN           88 GLU  HN          4.50    (#   1127:17  Unique         2.40, 3.68 A)
 &rst
  ixpk= 1127, nxpk= 17, iat=1305,1290, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   18 LYS  HD-          18 LYS  HN          4.50    (#   1128:17  Unique         4.40, 5.26 A)
 &rst
  ixpk= 1128, nxpk= 17, iat=  -1, 248, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 258, 259,
 &end
#
#   74 MET  HA           75 PHE  HN          3.50    (#   1129:17  Unique         3.32, 3.43 A)
 &rst
  ixpk= 1129, nxpk= 17, iat=1087,1102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#    0 AMB  17-2:1130    75 PHE  HN          4.50    (#   1130:17  Single Ambig)
 &rst
  ixpk= 1130, nxpk= 17, iat=  -1,1102, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=1089,1090,1089,1090,
 &end
#
#   68 LEU  HN           66 ASP  HN          4.50    (#   1131:17  Unique         3.71, 3.92 A)
 &rst
  ixpk= 1131, nxpk= 17, iat= 994, 968, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   43 ARG  HN           44 VAL  HN          6.00    (#   1132:17  Unique         2.32, 2.44 A)
 &rst
  ixpk= 1132, nxpk= 17, iat= 608, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   45 GLY  HN           44 VAL  HN          6.00    (#   1133:17  Unique         2.85, 2.88 A)
 &rst
  ixpk= 1133, nxpk= 17, iat= 648, 632, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ASP  HB-          69 ASP  HN          3.50    (#   1134:17  Unique         2.22, 2.61 A)
 &rst
  ixpk= 1134, nxpk= 17, iat=  -1,1013, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=1017,1018,
 &end
#
#   47 TRP  HA            0 AMB  17-1:1135   6.00    (#   1135:17  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 17, iat= 674,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 655, 712,
 &end
#
#   46 GLN  HB-          46 GLN  HN          2.80    (#   1136:17  Unique         2.09, 2.81 A)
 &rst
  ixpk= 1136, nxpk= 17, iat=  -1, 655, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,
 igr1= 659, 660,
 &end
#
#   74 MET  HA           74 MET  HN          3.50    (#   1137:17  Unique         2.78, 2.88 A)
 &rst
  ixpk= 1137, nxpk= 17, iat=1087,1085, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   58 VAL  HN           49 LEU  HN          6.00    (#   1138:17  Unique         5.44, 5.66 A)
 &rst
  ixpk= 1138, nxpk= 17, iat= 845, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   50 VAL  HN           49 LEU  HN          6.00    (#   1139:17  Unique         4.61, 4.63 A)
 &rst
  ixpk= 1139, nxpk= 17, iat= 731, 712, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   73 ASN  HB+          74 MET  HN          6.00    (#   1140:17  Unique         2.95, 3.40 A)
 &rst
  ixpk= 1140, nxpk= 17, iat=  -1,1085, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#   57 SER  HB+          49 LEU  HN          6.00    (#   1142:17  Unique         4.20, 4.85 A)
 &rst
  ixpk= 1142, nxpk= 17, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 838, 839,
 &end
#
#   78 GLU  HB+          80 ASP  HN          4.50    (#   1143:17  Unique         2.36, 4.71 A)
 &rst
  ixpk= 1143, nxpk= 17, iat=  -1,1179, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1154,1155,
 &end
#
#   81 VAL  HN           80 ASP  HN          4.50    (#   1144:17  Unique         2.27, 2.74 A)
 &rst
  ixpk= 1144, nxpk= 17, iat=1191,1179, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   38 GLU  HN           37 ASP  HN          6.00    (#   1145:17  Unique         4.45, 4.61 A)
 &rst
  ixpk= 1145, nxpk= 17, iat= 541, 529, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   17 ALA  HA           16 GLN  HN          6.00    (#   1147:17  Unique         4.95, 5.06 A)
 &rst
  ixpk= 1147, nxpk= 17, iat= 240, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   14 GLY  HN           16 GLN  HN          6.00    (#   1148:17  Unique         4.56, 4.80 A)
 &rst
  ixpk= 1148, nxpk= 17, iat= 200, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   60 ASN  HD2+         60 ASN  HN          6.00    (#   1149:17  Unique         2.21, 2.58 A)
 &rst
  ixpk= 1149, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 889, 890,
 &end
#
#   60 ASN  HD2-         60 ASN  HN          6.00    (#   1150:17  Unique         2.21, 2.58 A)
 &rst
  ixpk= 1150, nxpk= 17, iat=  -1, 880, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 889, 890,
 &end
#
#   63 GLU  HN           60 ASN  HN          6.00    (#   1151:17  Unique         3.33, 3.49 A)
 &rst
  ixpk= 1151, nxpk= 17, iat= 919, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   62 ALA  HN           60 ASN  HN          6.00    (#   1152:17  Unique         4.12, 4.22 A)
 &rst
  ixpk= 1152, nxpk= 17, iat= 909, 880, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    4 GLY  HN            5 VAL  HN          6.00    (#   1153:17  Unique         1.89, 3.00 A)
 &rst
  ixpk= 1153, nxpk= 17, iat=  51,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   81 VAL  HA           84 LEU  HN          6.00    (#   1154:17  Unique         2.96, 3.43 A)
 &rst
  ixpk= 1154, nxpk= 17, iat=1193,1224, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:1155    84 LEU  HN          4.50    (#   1155:17  Single Ambig)
 &rst
  ixpk= 1155, nxpk= 17, iat=  -1,1224, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1214,1243,
 &end
#
#    3 ILE  HG1-          5 VAL  HN          6.00    (#   1157:17  Unique         1.91, 4.55 A)
 &rst
  ixpk= 1157, nxpk= 17, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  42,  43,
 &end
#
#   66 ASP  HN           67 THR  HN          3.50    (#   1158:17  Unique         2.34, 2.49 A)
 &rst
  ixpk= 1158, nxpk= 17, iat= 968, 980, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   70 ALA  HN           67 THR  HN          6.00    (#   1159:17  Unique         4.47, 4.67 A)
 &rst
  ixpk= 1159, nxpk= 17, iat=1025, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   65 ARG  HA           67 THR  HN          6.00    (#   1162:17  Unique         3.88, 4.14 A)
 &rst
  ixpk= 1162, nxpk= 17, iat= 946, 980, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    6 PRO  HG+          67 THR  HN          6.00    (#   1163:17  Unique         3.76, 4.41 A)
 &rst
  ixpk= 1163, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=  78,  79,
 &end
#
#   68 LEU  MDY          67 THR  HN          6.00    (#   1164:17  Unique         4.48, 6.51 A)
 &rst
  ixpk= 1164, nxpk= 17, iat=  -1, 980, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  17-2:1165    72 GLN  HN          6.00    (#   1165:17  Single Ambig)
 &rst
  ixpk= 1165, nxpk= 17, iat=  -1,1054, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1073,1104,
 &end
#
#   70 ALA  HN           72 GLN  HN          6.00    (#   1166:17  Unique         3.70, 3.88 A)
 &rst
  ixpk= 1166, nxpk= 17, iat=1025,1054, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ASP  HB-          65 ARG  HN          6.00    (#   1167:17  Unique         4.47, 5.01 A)
 &rst
  ixpk= 1167, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 972, 973,
 &end
#
#   61 GLU  HA           65 ARG  HN          6.00    (#   1168:17  Unique         4.07, 4.44 A)
 &rst
  ixpk= 1168, nxpk= 17, iat= 896, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   66 ASP  HA           65 ARG  HN          6.00    (#   1169:17  Unique         5.14, 5.26 A)
 &rst
  ixpk= 1169, nxpk= 17, iat= 970, 944, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   68 LEU  MDX          65 ARG  HN          4.50    (#   1170:17  Unique         3.61, 6.16 A)
 &rst
  ixpk= 1170, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 6.07, r4= 6.57,
 igr1=1003,1004,1005,1007,1008,1009,
 &end
#
#    0 AMB  17-2:1171    65 ARG  HN          6.00    (#   1171:17  Single Ambig)
 &rst
  ixpk= 1171, nxpk= 17, iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1= 913, 914, 915, 871, 872,
 &end
#
#   74 MET  HG-          73 ASN  HN          6.00    (#   1172:17  Unique         3.96, 6.31 A)
 &rst
  ixpk= 1172, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1092,1093,
 &end
#
#   73 ASN  HB+          73 ASN  HN          4.50    (#   1174:17  Unique         2.14, 2.90 A)
 &rst
  ixpk= 1174, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1075,1076,
 &end
#
#    9 ILE  HG1-         45 GLY  HN          6.00    (#   1176:17  Unique         6.06, 6.96 A)
 &rst
  ixpk= 1176, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 122, 123,
 &end
#
#    0 AMB  17-2:1177    45 GLY  HN          6.00    (#   1177:17  Single Ambig)
 &rst
  ixpk= 1177, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 659, 660, 662, 663,
 &end
#
#    8 GLN  HE2+         45 GLY  HN          6.00    (#   1178:17  Unique         4.77, 5.82 A)
 &rst
  ixpk= 1178, nxpk= 17, iat=  -1, 648, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 107, 108,
 &end
#
#   37 ASP  HB+          39 ASN  HD2+        6.00    (#   1179:17  Unique         3.16, 6.70 A)
 &rst
  ixpk= 1179, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 533, 534,
 igr2= 565, 566,
 &end
#
#    0 AMB  17-2:1181    39 ASN  HD2-        6.00    (#   1181:17  Single Ambig)
 &rst
  ixpk= 1181, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 548, 549, 548, 549,
 igr2= 565, 566,
 &end
#
#   65 ARG  HB+          65 ARG  HE          6.00    (#   1182:17  Unique         2.64, 3.93 A)
 &rst
  ixpk= 1182, nxpk= 17, iat=  -1, 957, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 948, 949,
 &end
#
#   43 ARG  HN           43 ARG  HE          6.00    (#   1184:17  Unique         4.61, 5.31 A)
 &rst
  ixpk= 1184, nxpk= 17, iat= 608, 621, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   69 ASP  HA           73 ASN  HD2+        6.00    (#   1186:17  Unique         3.84, 5.13 A)
 &rst
  ixpk= 1186, nxpk= 17, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1080,1081,
 &end
#
#   69 ASP  HA           73 ASN  HD2-        6.00    (#   1187:17  Unique         3.84, 5.13 A)
 &rst
  ixpk= 1187, nxpk= 17, iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2=1080,1081,
 &end
#
#   72 GLN  HG+          73 ASN  HD2+        6.00    (#   1188:17  Unique         2.37, 6.47 A)
 &rst
  ixpk= 1188, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1061,1062,
 igr2=1080,1081,
 &end
#
#   72 GLN  HG+          73 ASN  HD2-        6.00    (#   1189:17  Unique         2.37, 6.47 A)
 &rst
  ixpk= 1189, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1061,1062,
 igr2=1080,1081,
 &end
#
#   70 ALA  MB           73 ASN  HD2-        6.00    (#   1191:17  Unique         3.87, 6.43 A)
 &rst
  ixpk= 1191, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1=1029,1030,1031,
 igr2=1080,1081,
 &end
#
#    0 AMB  17-2:1192    26 ARG  HE          6.00    (#   1192:17  Single Ambig)
 &rst
  ixpk= 1192, nxpk= 17, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 375, 376, 375, 376,
 &end
#
#   26 ARG  HB-          26 ARG  HE          6.00    (#   1193:17  Unique         1.99, 3.50 A)
 &rst
  ixpk= 1193, nxpk= 17, iat=  -1, 381, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 372, 373,
 &end
#
#   62 ALA  HN           60 ASN  HD2-        6.00    (#   1195:17  Unique         3.07, 4.03 A)
 &rst
  ixpk= 1195, nxpk= 17, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   62 ALA  HN           60 ASN  HD2+        6.00    (#   1196:17  Unique         3.07, 4.03 A)
 &rst
  ixpk= 1196, nxpk= 17, iat= 909,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 889, 890,
 &end
#
#   63 GLU  HG+          60 ASN  HD2+        6.00    (#   1197:17  Unique         1.95, 3.11 A)
 &rst
  ixpk= 1197, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 926, 927,
 igr2= 889, 890,
 &end
#
#   63 GLU  HB-          60 ASN  HD2+        6.00    (#   1198:17  Unique         2.62, 4.14 A)
 &rst
  ixpk= 1198, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 923, 924,
 igr2= 889, 890,
 &end
#
#   15 ASN  HN           15 ASN  HD2+        6.00    (#   1200:17  Unique         4.66, 4.97 A)
 &rst
  ixpk= 1200, nxpk= 17, iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 216, 217,
 &end
#
#    0 AMB  17-2:1201     0 AMB  17-1:1201   6.00    (#   1201:17  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 595, 596, 572, 573,
 igr2= 589, 590, 589, 590,
 &end
#
#   39 ASN  HB-          41 GLN  HE2+        6.00    (#   1202:17  Unique         1.92, 5.06 A)
 &rst
  ixpk= 1202, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 560, 561,
 igr2= 589, 590,
 &end
#
#   45 GLY  HN            8 GLN  HE2+        6.00    (#   1204:17  Unique         4.77, 5.82 A)
 &rst
  ixpk= 1204, nxpk= 17, iat= 648,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#    8 GLN  HA            8 GLN  HE2+        6.00    (#   1205:17  Unique         4.68, 5.31 A)
 &rst
  ixpk= 1205, nxpk= 17, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#    8 GLN  HA            8 GLN  HE2-        6.00    (#   1206:17  Unique         4.68, 5.31 A)
 &rst
  ixpk= 1206, nxpk= 17, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 107, 108,
 &end
#
#   68 LEU  HB-          72 GLN  HE2-        6.00    (#   1207:17  Unique         2.48, 6.08 A)
 &rst
  ixpk= 1207, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 998, 999,
 igr2=1066,1067,
 &end
#
#   18 LYS  HB-          25 GLN  HE2-        6.00    (#   1208:17  Unique         3.02, 4.21 A)
 &rst
  ixpk= 1208, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 252, 253,
 igr2= 363, 364,
 &end
#
#   18 LYS  HB-          25 GLN  HE2+        6.00    (#   1209:17  Unique         3.02, 4.21 A)
 &rst
  ixpk= 1209, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 252, 253,
 igr2= 363, 364,
 &end
#
#   11 THR  MG2          25 GLN  HE2+        6.00    (#   1210:17  Unique         3.48, 5.07 A)
 &rst
  ixpk= 1210, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 161, 162, 163,
 igr2= 363, 364,
 &end
#
#   11 THR  MG2          25 GLN  HE2-        6.00    (#   1211:17  Unique         3.48, 5.07 A)
 &rst
  ixpk= 1211, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 161, 162, 163,
 igr2= 363, 364,
 &end
#
#   10 ARG  HD-          25 GLN  HE2+        6.00    (#   1212:17  Unique         5.54, 7.37 A)
 &rst
  ixpk= 1212, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 363, 364,
 &end
#
#    0 AMB  17-2:1213     0 AMB  17-1:1213   6.00    (#   1213:17  Double Ambig)
 &rst
  ixpk= 1213, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 9.52, r4=10.02,
 igr1= 261, 262, 261, 262,
 igr2= 363, 364, 363, 364,
 &end
#
#    0 AMB  17-2:1214    25 GLN  HE2-        6.00    (#   1214:17  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.49, r4= 8.99,
 igr1= 261, 262, 261, 262,
 igr2= 363, 364,
 &end
#
#   10 ARG  HD-          25 GLN  HE2-        6.00    (#   1215:17  Unique         5.54, 7.37 A)
 &rst
  ixpk= 1215, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 363, 364,
 &end
#
#   10 ARG  HD+          25 GLN  HE2-        6.00    (#   1216:17  Unique         5.54, 7.37 A)
 &rst
  ixpk= 1216, nxpk= 17, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1= 141, 142,
 igr2= 363, 364,
 &end
#
#   20 ASP  HA           25 GLN  HE2-        6.00    (#   1217:17  Unique         4.87, 5.33 A)
 &rst
  ixpk= 1217, nxpk= 17, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   25 GLN  HA           25 GLN  HE2-        6.00    (#   1218:17  Unique         4.55, 5.14 A)
 &rst
  ixpk= 1218, nxpk= 17, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   18 LYS  HA           25 GLN  HE2-        6.00    (#   1219:17  Unique         5.51, 6.25 A)
 &rst
  ixpk= 1219, nxpk= 17, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   18 LYS  HA           25 GLN  HE2+        6.00    (#   1220:17  Unique         5.51, 6.25 A)
 &rst
  ixpk= 1220, nxpk= 17, iat= 250,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   20 ASP  HA           25 GLN  HE2+        6.00    (#   1221:17  Unique         4.87, 5.33 A)
 &rst
  ixpk= 1221, nxpk= 17, iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   25 GLN  HA           25 GLN  HE2+        6.00    (#   1222:17  Unique         4.55, 5.14 A)
 &rst
  ixpk= 1222, nxpk= 17, iat= 353,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 363, 364,
 &end
#
#   59 ILE  HG1-         48 VAL  HN          6.00    (#   1223:17  Unique         3.91, 4.37 A)
 &rst
  ixpk= 1223, nxpk= 17, iat=  -1, 696, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 871, 872,
 &end
#
#    8 GLN  HN           48 VAL  HN          6.00    (#   1224:17  Unique         5.00, 5.13 A)
 &rst
  ixpk= 1224, nxpk= 17, iat=  95, 696, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   44 VAL  HN           46 GLN  HE2+        6.00    (#   1225:17  Unique         4.77, 6.36 A)
 &rst
  ixpk= 1225, nxpk= 17, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 667, 668,
 &end
#
#   44 VAL  HN           46 GLN  HE2-        6.00    (#   1226:17  Unique         4.77, 6.36 A)
 &rst
  ixpk= 1226, nxpk= 17, iat= 632,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 667, 668,
 &end
#
#   46 GLN  HN           46 GLN  HE2+        6.00    (#   1227:17  Unique         2.44, 4.23 A)
 &rst
  ixpk= 1227, nxpk= 17, iat= 655,  -1, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr2= 667, 668,
 &end
#
#   37 ASP  HN           40 GLY  HN          4.50    (#   1228:17  Unique         3.12, 3.70 A)
 &rst
  ixpk= 1228, nxpk= 17, iat= 529, 570, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   20 ASP  HN           11 THR  HN          6.00    (#   1229:17  Unique         5.28, 5.39 A)
 &rst
  ixpk= 1229, nxpk= 17, iat= 286, 155, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   10 ARG  HD+          11 THR  HN          6.00    (#   1231:17  Unique         5.41, 5.78 A)
 &rst
  ixpk= 1231, nxpk= 17, iat=  -1, 155, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 141, 142,
 &end
#
#   49 LEU  HG           57 SER  HN          6.00    (#   1232:17  Unique         4.28, 4.72 A)
 &rst
  ixpk= 1232, nxpk= 17, iat= 719, 834, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#    0 AMB  17-2:1233    57 SER  HN          6.00    (#   1233:17  Single Ambig)
 &rst
  ixpk= 1233, nxpk= 17, iat=  -1, 834, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 700, 849,
 &end
#
#   62 ALA  HA           63 GLU  HN          4.50    (#   1234:17  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1234, nxpk= 17, iat= 911, 919, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:1235    28 VAL  HN          6.00    (#   1235:17  Single Ambig)
 &rst
  ixpk= 1235, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 9.08, r4= 9.58,
 igr1= 441, 442, 443, 445, 446, 447, 276, 277, 278, 280,
       281, 282,
 &end
#
#   16 GLN  HB+          28 VAL  HN          6.00    (#   1236:17  Unique         3.68, 4.89 A)
 &rst
  ixpk= 1236, nxpk= 17, iat=  -1, 404, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1= 225, 226,
 &end
#
#   49 LEU  HB+          49 LEU  HN          4.50    (#   1238:17  Unique         2.23, 3.03 A)
 &rst
  ixpk= 1238, nxpk= 17, iat=  -1, 712, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 716, 717,
 &end
#
#    0 AMB  17-2:1239    73 ASN  HN          6.00    (#   1239:17  Single Ambig)
 &rst
  ixpk= 1239, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1089,1090,1089,1090,
 &end
#
#    0 AMB  17-2:1240    73 ASN  HN          6.00    (#   1240:17  Single Ambig)
 &rst
  ixpk= 1240, nxpk= 17, iat=  -1,1071, r1= 1.30, r2= 1.80, r3= 7.85, r4= 8.35,
 igr1=1029,1030,1031,1039,1040,
 &end
#
#   69 ASP  HA           73 ASN  HN          6.00    (#   1241:17  Unique         4.12, 4.76 A)
 &rst
  ixpk= 1241, nxpk= 17, iat=1015,1071, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   74 MET  HN           75 PHE  HN          3.50    (#   1242:17  Unique         2.19, 2.38 A)
 &rst
  ixpk= 1242, nxpk= 17, iat=1085,1102, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   78 GLU  HN           75 PHE  HN          6.00    (#   1243:17  Unique         4.63, 6.63 A)
 &rst
  ixpk= 1243, nxpk= 17, iat=1150,1102, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   21 VAL  MGY          23 GLY  HN          6.00    (#   1244:17  Unique         2.04, 4.11 A)
 &rst
  ixpk= 1244, nxpk= 17, iat=  -1, 325, r1= 1.30, r2= 1.80, r3= 8.09, r4= 8.59,
 igr1= 304, 305, 306, 308, 309, 310,
 &end
#
#   13 ASP  HN           12 ILE  HN          4.50    (#   1245:17  Unique         3.96, 4.02 A)
 &rst
  ixpk= 1245, nxpk= 17, iat= 188, 169, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   59 ILE  HG1+         64 ALA  HN          4.50    (#   1246:17  Unique         3.20, 4.30 A)
 &rst
  ixpk= 1246, nxpk= 17, iat=  -1, 934, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 871, 872,
 &end
#
#   78 GLU  HN           76 ASP  HN          4.50    (#   1247:17  Unique         3.61, 5.57 A)
 &rst
  ixpk= 1247, nxpk= 17, iat=1150,1122, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#    0 AMB  17-2:1248    76 ASP  HN          6.00    (#   1248:17  Single Ambig)
 &rst
  ixpk= 1248, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 7.56, r4= 8.06,
 igr1=1061,1062,1092,1093,
 &end
#
#   73 ASN  HB+          76 ASP  HN          6.00    (#   1249:17  Unique         4.82, 5.81 A)
 &rst
  ixpk= 1249, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1075,1076,
 &end
#
#    0 AMB  17-2:1250    76 ASP  HN          6.00    (#   1250:17  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 6.73, r4= 7.23,
 igr1=1136,1037,
 &end
#
#   76 ASP  HB-          76 ASP  HN          4.50    (#   1251:17  Unique         2.16, 2.83 A)
 &rst
  ixpk= 1251, nxpk= 17, iat=  -1,1122, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1=1126,1127,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1   2.895   5.100   1.948
    2    H2   MET   1           H2       MET   1   2.598   6.003   0.617
    3    H3   MET   1           H3       MET   1   1.503   5.958   1.830
    4    HA   MET   1           HA       MET   1   2.302   3.700   0.138
    5    HB2  MET   1           HB2      MET   1   1.642   3.097   2.481
    6    HB3  MET   1           HB3      MET   1   0.024   3.715   2.166
    7    HG2  MET   1           HG2      MET   1   1.401   1.510   0.569
    8    HG3  MET   1           HG3      MET   1   0.348   1.229   1.948
    9    HE1  MET   1           HE1      MET   1   0.009  -0.216  -0.852
   10    HE2  MET   1           HE2      MET   1  -1.034  -0.514   0.558
   11    HE3  MET   1           HE3      MET   1  -1.759  -0.165  -1.027
   12    H    CYS   2           H        CYS   2  -0.890   5.267   0.967
   13    HA   CYS   2           HA       CYS   2  -1.883   5.004  -1.668
   14    HB2  CYS   2           HB2      CYS   2  -2.694   7.006   0.493
   15    HB3  CYS   2           HB3      CYS   2  -3.676   6.497  -0.887
   16    HG   CYS   2           HG       CYS   2  -3.767   3.948  -0.257
   17    H    ILE   3           H        ILE   3  -2.465   6.758  -3.168
   18    HA   ILE   3           HA       ILE   3  -1.117   9.298  -3.042
   19    HB   ILE   3           HB       ILE   3   0.716   7.913  -3.875
   20   HG12  ILE   3          HG12      ILE   3  -0.345   9.554  -6.203
   21   HG13  ILE   3          HG13      ILE   3   0.334  10.256  -4.726
   22   HG21  ILE   3          HG21      ILE   3  -1.047   7.126  -6.227
   23   HG22  ILE   3          HG22      ILE   3   0.651   6.669  -5.972
   24   HG23  ILE   3          HG23      ILE   3  -0.577   6.049  -4.884
   25   HD11  ILE   3          HD11      ILE   3   2.031  10.185  -6.439
   26   HD12  ILE   3          HD12      ILE   3   2.476   9.065  -5.141
   27   HD13  ILE   3          HD13      ILE   3   1.819   8.449  -6.677
   28    H    GLY   4           H        GLY   4  -2.036  10.720  -4.690
   29    HA2  GLY   4           HA2      GLY   4  -4.219   9.955  -6.422
   30    HA3  GLY   4           HA3      GLY   4  -4.772  10.604  -4.871
   31    H    VAL   5           H        VAL   5  -2.183  11.357  -7.320
   32    HA   VAL   5           HA       VAL   5  -2.803  14.241  -7.059
   33    HB   VAL   5           HB       VAL   5  -0.004  13.109  -6.684
   34   HG11  VAL   5          HG11      VAL   5  -1.066  15.945  -6.286
   35   HG12  VAL   5          HG12      VAL   5   0.594  15.398  -5.980
   36   HG13  VAL   5          HG13      VAL   5  -0.028  15.406  -7.623
   37   HG21  VAL   5          HG21      VAL   5  -1.218  12.556  -4.650
   38   HG22  VAL   5          HG22      VAL   5  -0.152  13.911  -4.324
   39   HG23  VAL   5          HG23      VAL   5  -1.888  14.201  -4.554
   40    HA   PRO   6           HA       PRO   6  -1.894  13.911 -11.491
   41    HB2  PRO   6           HB2      PRO   6  -1.134  16.800 -11.275
   42    HB3  PRO   6           HB3      PRO   6  -2.251  16.013 -12.425
   43    HG2  PRO   6           HG2      PRO   6  -3.197  17.487 -10.324
   44    HG3  PRO   6           HG3      PRO   6  -4.005  15.981 -10.835
   45    HD2  PRO   6           HD2      PRO   6  -2.091  16.394  -8.540
   46    HD3  PRO   6           HD3      PRO   6  -3.616  15.456  -8.601
   47    H    GLY   7           H        GLY   7  -0.014  13.937 -12.900
   48    HA2  GLY   7           HA2      GLY   7   2.436  15.276 -12.131
   49    HA3  GLY   7           HA3      GLY   7   2.544  13.511 -12.011
   50    H    GLN   8           H        GLN   8   4.211  14.565 -13.804
   51    HA   GLN   8           HA       GLN   8   2.902  14.446 -16.488
   52    HB2  GLN   8           HB2      GLN   8   4.360  16.435 -15.949
   53    HB3  GLN   8           HB3      GLN   8   5.736  15.330 -15.806
   54    HG2  GLN   8           HG2      GLN   8   5.393  14.613 -18.174
   55    HG3  GLN   8           HG3      GLN   8   3.957  15.634 -18.264
   56   HE21  GLN   8          HE22      GLN   8   4.583  17.063 -19.861
   57   HE22  GLN   8          HE21      GLN   8   5.938  18.166 -19.689
   58    H    ILE   9           H        ILE   9   3.379  12.710 -17.809
   59    HA   ILE   9           HA       ILE   9   4.823  10.382 -16.821
   60    HB   ILE   9           HB       ILE   9   3.716  11.018 -19.594
   61   HG12  ILE   9          HG12      ILE   9   2.433   9.474 -17.293
   62   HG13  ILE   9          HG13      ILE   9   1.921  11.058 -17.879
   63   HG21  ILE   9          HG21      ILE   9   5.458   9.193 -19.503
   64   HG22  ILE   9          HG22      ILE   9   4.440   8.327 -18.334
   65   HG23  ILE   9          HG23      ILE   9   3.878   8.610 -19.995
   66   HD11  ILE   9          HD11      ILE   9   0.407   9.396 -18.720
   67   HD12  ILE   9          HD12      ILE   9   1.334  10.071 -20.067
   68   HD13  ILE   9          HD13      ILE   9   1.719   8.451 -19.425
   69    H    ARG  10           H        ARG  10   6.804  11.506 -16.295
   70    HA   ARG  10           HA       ARG  10   8.127  13.046 -18.306
   71    HB2  ARG  10           HB2      ARG  10   8.104  13.511 -15.852
   72    HB3  ARG  10           HB3      ARG  10   9.115  12.102 -15.581
   73    HG2  ARG  10           HG2      ARG  10  10.386  14.172 -15.473
   74    HG3  ARG  10           HG3      ARG  10  10.980  13.179 -16.796
   75    HD2  ARG  10           HD2      ARG  10   8.949  15.416 -17.210
   76    HD3  ARG  10           HD3      ARG  10  10.691  15.722 -17.187
   77    HE   ARG  10           HE       ARG  10  10.523  13.699 -18.985
   78   HH11  ARG  10          HH11      ARG  10   8.541  16.657 -18.807
   79   HH12  ARG  10          HH12      ARG  10   8.590  16.940 -20.511
   80   HH21  ARG  10          HH21      ARG  10  10.486  14.026 -21.238
   81   HH22  ARG  10          HH22      ARG  10   9.630  15.352 -21.930
   82    H    THR  11           H        THR  11   8.392   9.660 -17.380
   83    HA   THR  11           HA       THR  11  10.061   9.223 -19.721
   84    HB   THR  11           HB       THR  11  11.004   7.857 -17.202
   85    HG1  THR  11           HG1      THR  11  11.803  10.457 -17.967
   86   HG21  THR  11          HG21      THR  11  11.952   7.101 -19.318
   87   HG22  THR  11          HG22      THR  11  12.450   8.760 -19.722
   88   HG23  THR  11          HG23      THR  11  13.193   7.905 -18.352
   89    H    ILE  12           H        ILE  12   9.978   6.833 -20.266
   90    HA   ILE  12           HA       ILE  12   7.853   5.309 -18.876
   91    HB   ILE  12           HB       ILE  12   8.107   5.738 -21.879
   92   HG12  ILE  12          HG12      ILE  12   5.865   6.401 -19.912
   93   HG13  ILE  12          HG13      ILE  12   6.919   7.558 -20.710
   94   HG21  ILE  12          HG21      ILE  12   7.587   3.355 -21.409
   95   HG22  ILE  12          HG22      ILE  12   6.208   3.854 -20.398
   96   HG23  ILE  12          HG23      ILE  12   6.236   4.165 -22.150
   97   HD11  ILE  12          HD11      ILE  12   4.741   5.882 -21.968
   98   HD12  ILE  12          HD12      ILE  12   4.887   7.639 -21.891
   99   HD13  ILE  12          HD13      ILE  12   5.981   6.718 -22.938
  100    H    ASP  13           H        ASP  13   8.322   3.070 -18.826
  101    HA   ASP  13           HA       ASP  13  11.050   2.276 -19.785
  102    HB2  ASP  13           HB2      ASP  13  10.985   2.589 -17.356
  103    HB3  ASP  13           HB3      ASP  13   9.584   1.520 -17.235
  104    H    GLY  14           H        GLY  14   7.631   1.479 -19.566
  105    HA2  GLY  14           HA2      GLY  14   7.537  -0.294 -21.711
  106    HA3  GLY  14           HA3      GLY  14   7.740  -1.287 -20.244
  107    H    ASN  15           H        ASN  15   5.705  -1.969 -19.606
  108    HA   ASN  15           HA       ASN  15   3.292  -0.394 -19.865
  109    HB2  ASN  15           HB2      ASN  15   3.265  -2.853 -19.488
  110    HB3  ASN  15           HB3      ASN  15   3.964  -2.615 -17.879
  111   HD21  ASN  15          HD22      ASN  15   2.558  -1.906 -16.140
  112   HD22  ASN  15          HD21      ASN  15   0.849  -1.663 -16.391
  113    H    GLN  16           H        GLN  16   5.965  -0.462 -17.560
  114    HA   GLN  16           HA       GLN  16   4.562   1.303 -15.665
  115    HB2  GLN  16           HB2      GLN  16   7.443   0.311 -15.621
  116    HB3  GLN  16           HB3      GLN  16   6.583   1.166 -14.340
  117    HG2  GLN  16           HG2      GLN  16   6.098  -1.671 -15.316
  118    HG3  GLN  16           HG3      GLN  16   6.690  -1.157 -13.740
  119   HE21  GLN  16          HE22      GLN  16   5.101   0.244 -12.385
  120   HE22  GLN  16          HE21      GLN  16   3.406  -0.187 -12.525
  121    H    ALA  17           H        ALA  17   5.280   3.376 -15.247
  122    HA   ALA  17           HA       ALA  17   7.289   4.616 -17.022
  123    HB1  ALA  17           HB1      ALA  17   5.114   5.054 -18.070
  124    HB2  ALA  17           HB2      ALA  17   4.460   5.660 -16.526
  125    HB3  ALA  17           HB3      ALA  17   5.741   6.554 -17.365
  126    H    LYS  18           H        LYS  18   7.812   6.842 -16.192
  127    HA   LYS  18           HA       LYS  18   8.046   6.723 -13.211
  128    HB2  LYS  18           HB2      LYS  18  10.042   7.694 -15.284
  129    HB3  LYS  18           HB3      LYS  18  10.223   7.840 -13.533
  130    HG2  LYS  18           HG2      LYS  18  10.217   5.387 -13.291
  131    HG3  LYS  18           HG3      LYS  18   9.969   5.197 -15.030
  132    HD2  LYS  18           HD2      LYS  18  12.289   4.804 -14.511
  133    HD3  LYS  18           HD3      LYS  18  12.145   6.270 -15.490
  134    HE2  LYS  18           HE2      LYS  18  12.394   7.670 -13.459
  135    HE3  LYS  18           HE3      LYS  18  12.451   6.217 -12.450
  136    HZ1  LYS  18           HZ1      LYS  18  14.457   6.937 -14.512
  137    HZ2  LYS  18           HZ2      LYS  18  14.661   7.071 -12.902
  138    HZ3  LYS  18           HZ3      LYS  18  14.509   5.597 -13.575
  139    H    VAL  19           H        VAL  19   6.096   7.906 -13.040
  140    HA   VAL  19           HA       VAL  19   5.708  10.357 -14.575
  141    HB   VAL  19           HB       VAL  19   4.131   9.127 -12.273
  142   HG11  VAL  19          HG11      VAL  19   3.311  11.314 -14.234
  143   HG12  VAL  19          HG12      VAL  19   2.287  10.593 -12.996
  144   HG13  VAL  19          HG13      VAL  19   3.683  11.556 -12.511
  145   HG21  VAL  19          HG21      VAL  19   2.555   8.370 -14.021
  146   HG22  VAL  19          HG22      VAL  19   3.613   9.034 -15.283
  147   HG23  VAL  19          HG23      VAL  19   4.151   7.667 -14.294
  148    H    ASP  20           H        ASP  20   6.446  12.350 -13.886
  149    HA   ASP  20           HA       ASP  20   7.731  12.647 -11.238
  150    HB2  ASP  20           HB2      ASP  20   8.849  13.833 -13.006
  151    HB3  ASP  20           HB3      ASP  20   7.328  14.513 -13.600
  152    H    VAL  21           H        VAL  21   6.342  12.768  -9.591
  153    HA   VAL  21           HA       VAL  21   3.668  13.976  -9.957
  154    HB   VAL  21           HB       VAL  21   4.835  12.584  -7.521
  155   HG11  VAL  21          HG11      VAL  21   1.938  13.207  -8.287
  156   HG12  VAL  21          HG12      VAL  21   2.487  12.386  -6.811
  157   HG13  VAL  21          HG13      VAL  21   2.862  14.088  -7.058
  158   HG21  VAL  21          HG21      VAL  21   4.700  10.988  -9.415
  159   HG22  VAL  21          HG22      VAL  21   3.431  10.644  -8.246
  160   HG23  VAL  21          HG23      VAL  21   3.039  11.506  -9.748
  161    H    CYS  22           H        CYS  22   5.150  15.815 -10.591
  162    HA   CYS  22           HA       CYS  22   6.019  17.859 -10.290
  163    HB2  CYS  22           HB2      CYS  22   3.843  18.026  -8.175
  164    HB3  CYS  22           HB3      CYS  22   4.526  19.361  -9.119
  165    HG   CYS  22           HG       CYS  22   2.772  16.725 -10.093
  166    H    GLY  23           H        GLY  23   7.789  16.194  -9.017
  167    HA2  GLY  23           HA2      GLY  23   9.287  17.931  -7.498
  168    HA3  GLY  23           HA3      GLY  23   8.340  17.045  -6.290
  169    H    ILE  24           H        ILE  24   8.263  14.490  -7.747
  170    HA   ILE  24           HA       ILE  24  10.984  13.702  -8.264
  171    HB   ILE  24           HB       ILE  24  10.874  13.711  -5.758
  172   HG12  ILE  24          HG12      ILE  24  11.227  10.920  -6.917
  173   HG13  ILE  24          HG13      ILE  24  12.400  12.235  -7.068
  174   HG21  ILE  24          HG21      ILE  24   8.922  11.405  -6.032
  175   HG22  ILE  24          HG22      ILE  24   9.540  12.110  -4.524
  176   HG23  ILE  24          HG23      ILE  24   8.452  13.049  -5.549
  177   HD11  ILE  24          HD11      ILE  24  12.567  12.334  -4.571
  178   HD12  ILE  24          HD12      ILE  24  11.498  10.911  -4.477
  179   HD13  ILE  24          HD13      ILE  24  13.076  10.782  -5.266
  180    H    GLN  25           H        GLN  25  11.030  11.527  -9.170
  181    HA   GLN  25           HA       GLN  25   8.560  10.922 -10.601
  182    HB2  GLN  25           HB2      GLN  25  11.363   9.778 -10.773
  183    HB3  GLN  25           HB3      GLN  25   9.980   9.139 -11.676
  184    HG2  GLN  25           HG2      GLN  25   9.588  11.366 -12.698
  185    HG3  GLN  25           HG3      GLN  25  10.983  12.017 -11.842
  186   HE21  GLN  25          HE22      GLN  25   9.911  10.267 -14.663
  187   HE22  GLN  25          HE21      GLN  25  11.487  10.088 -15.399
  188    H    ARG  26           H        ARG  26   7.253   9.255 -10.314
  189    HA   ARG  26           HA       ARG  26   7.828   7.203  -8.194
  190    HB2  ARG  26           HB2      ARG  26   5.227   8.560  -9.059
  191    HB3  ARG  26           HB3      ARG  26   5.229   6.978  -8.306
  192    HG2  ARG  26           HG2      ARG  26   4.701   8.673  -6.694
  193    HG3  ARG  26           HG3      ARG  26   6.189   7.837  -6.253
  194    HD2  ARG  26           HD2      ARG  26   7.540   9.726  -6.798
  195    HD3  ARG  26           HD3      ARG  26   6.255  10.482  -7.738
  196    HE   ARG  26           HE       ARG  26   5.268  11.311  -5.848
  197   HH11  ARG  26          HH11      ARG  26   7.850   9.057  -4.751
  198   HH12  ARG  26          HH12      ARG  26   7.716   9.636  -3.099
  199   HH21  ARG  26          HH21      ARG  26   5.204  11.936  -3.601
  200   HH22  ARG  26          HH22      ARG  26   6.317  11.132  -2.500
  201    H    ASP  27           H        ASP  27   7.401   5.058  -8.849
  202    HA   ASP  27           HA       ASP  27   7.215   4.514 -11.726
  203    HB2  ASP  27           HB2      ASP  27   8.573   3.108 -10.174
  204    HB3  ASP  27           HB3      ASP  27   7.097   2.622  -9.339
  205    H    VAL  28           H        VAL  28   5.260   4.204 -12.782
  206    HA   VAL  28           HA       VAL  28   2.795   3.715 -11.188
  207    HB   VAL  28           HB       VAL  28   3.144   5.818 -13.366
  208   HG11  VAL  28          HG11      VAL  28   0.879   4.854 -13.408
  209   HG12  VAL  28          HG12      VAL  28   0.710   5.143 -11.662
  210   HG13  VAL  28          HG13      VAL  28   0.834   6.504 -12.797
  211   HG21  VAL  28          HG21      VAL  28   4.149   6.662 -11.314
  212   HG22  VAL  28          HG22      VAL  28   2.594   7.451 -11.529
  213   HG23  VAL  28          HG23      VAL  28   2.755   6.127 -10.355
  214    H    ASP  29           H        ASP  29   1.420   2.321 -12.133
  215    HA   ASP  29           HA       ASP  29   2.243   0.828 -14.532
  216    HB2  ASP  29           HB2      ASP  29   1.423  -0.224 -12.414
  217    HB3  ASP  29           HB3      ASP  29  -0.130   0.572 -12.634
  218    H    LEU  30           H        LEU  30   1.465   1.297 -16.557
  219    HA   LEU  30           HA       LEU  30  -0.667   3.345 -16.779
  220    HB2  LEU  30           HB2      LEU  30   1.325   2.376 -18.862
  221    HB3  LEU  30           HB3      LEU  30   0.147   3.655 -19.066
  222    HG   LEU  30           HG       LEU  30   2.622   3.731 -17.318
  223   HD11  LEU  30          HD11      LEU  30   2.988   4.195 -19.676
  224   HD12  LEU  30          HD12      LEU  30   1.621   5.337 -19.718
  225   HD13  LEU  30          HD13      LEU  30   3.074   5.732 -18.799
  226   HD21  LEU  30          HD21      LEU  30   0.360   5.771 -17.454
  227   HD22  LEU  30          HD22      LEU  30   0.885   4.848 -16.020
  228   HD23  LEU  30          HD23      LEU  30   1.953   6.059 -16.722
  229    H    THR  31           H        THR  31  -0.968   0.097 -16.581
  230    HA   THR  31           HA       THR  31  -1.909  -0.849 -18.994
  231    HB   THR  31           HB       THR  31  -3.123  -1.454 -16.263
  232    HG1  THR  31           HG1      THR  31  -0.994  -1.751 -16.111
  233   HG21  THR  31          HG21      THR  31  -3.480  -3.743 -17.210
  234   HG22  THR  31          HG22      THR  31  -4.448  -2.515 -18.027
  235   HG23  THR  31          HG23      THR  31  -2.978  -3.139 -18.807
  236    H    LEU  32           H        LEU  32  -3.697   1.273 -16.759
  237    HA   LEU  32           HA       LEU  32  -6.255   0.875 -18.033
  238    HB2  LEU  32           HB2      LEU  32  -5.305   3.055 -16.150
  239    HB3  LEU  32           HB3      LEU  32  -6.984   2.732 -16.565
  240    HG   LEU  32           HG       LEU  32  -5.127   0.867 -15.023
  241   HD11  LEU  32          HD11      LEU  32  -7.575   2.442 -14.126
  242   HD12  LEU  32          HD12      LEU  32  -6.620   1.321 -13.126
  243   HD13  LEU  32          HD13      LEU  32  -5.885   2.812 -13.726
  244   HD21  LEU  32          HD21      LEU  32  -6.680  -0.504 -16.324
  245   HD22  LEU  32          HD22      LEU  32  -7.167  -0.513 -14.631
  246   HD23  LEU  32          HD23      LEU  32  -8.055   0.494 -15.796
  247    H    VAL  33           H        VAL  33  -3.558   2.725 -19.080
  248    HA   VAL  33           HA       VAL  33  -5.325   4.356 -20.848
  249    HB   VAL  33           HB       VAL  33  -3.811   6.259 -20.586
  250   HG11  VAL  33          HG11      VAL  33  -5.834   6.101 -19.156
  251   HG12  VAL  33          HG12      VAL  33  -4.865   5.338 -17.875
  252   HG13  VAL  33          HG13      VAL  33  -4.518   6.998 -18.378
  253   HG21  VAL  33          HG21      VAL  33  -2.163   6.388 -18.769
  254   HG22  VAL  33          HG22      VAL  33  -2.444   4.684 -18.358
  255   HG23  VAL  33          HG23      VAL  33  -1.720   5.125 -19.916
  256    H    GLY  34           H        GLY  34  -2.539   2.310 -20.563
  257    HA2  GLY  34           HA2      GLY  34  -1.248   1.330 -22.179
  258    HA3  GLY  34           HA3      GLY  34  -2.010   2.308 -23.443
  259    H    SER  35           H        SER  35   0.929   1.801 -22.709
  260    HA   SER  35           HA       SER  35   1.971   4.292 -21.771
  261    HB2  SER  35           HB2      SER  35   3.396   2.125 -23.357
  262    HB3  SER  35           HB3      SER  35   4.118   3.333 -22.277
  263    HG   SER  35           HG       SER  35   3.949   1.559 -21.060
  264    H    CYS  36           H        CYS  36   0.476   3.698 -24.713
  265    HA   CYS  36           HA       CYS  36   1.912   5.946 -25.998
  266    HB2  CYS  36           HB2      CYS  36   1.015   3.378 -27.375
  267    HB3  CYS  36           HB3      CYS  36   1.645   4.820 -28.180
  268    HG   CYS  36           HG       CYS  36   3.478   2.957 -28.176
  269    H    ASP  37           H        ASP  37   0.685   7.145 -27.362
  270    HA   ASP  37           HA       ASP  37  -2.149   7.552 -26.892
  271    HB2  ASP  37           HB2      ASP  37  -0.742   9.440 -27.371
  272    HB3  ASP  37           HB3      ASP  37   0.011   8.612 -28.733
  273    H    GLU  38           H        GLU  38  -3.658   7.576 -28.828
  274    HA   GLU  38           HA       GLU  38  -4.086   5.037 -29.907
  275    HB2  GLU  38           HB2      GLU  38  -5.710   6.942 -29.610
  276    HB3  GLU  38           HB3      GLU  38  -4.980   7.733 -31.018
  277    HG2  GLU  38           HG2      GLU  38  -5.657   5.836 -32.451
  278    HG3  GLU  38           HG3      GLU  38  -6.281   4.970 -31.045
  279    H    ASN  39           H        ASN  39  -2.267   7.810 -31.299
  280    HA   ASN  39           HA       ASN  39  -1.947   6.457 -33.881
  281    HB2  ASN  39           HB2      ASN  39  -2.378   8.924 -33.597
  282    HB3  ASN  39           HB3      ASN  39  -0.789   9.066 -32.848
  283   HD21  ASN  39          HD22      ASN  39   0.054  10.438 -34.432
  284   HD22  ASN  39          HD21      ASN  39   0.370   9.926 -36.072
  285    H    GLY  40           H        GLY  40  -0.591   5.674 -31.059
  286    HA2  GLY  40           HA2      GLY  40   1.146   4.243 -30.695
  287    HA3  GLY  40           HA3      GLY  40   1.751   4.523 -32.333
  288    H    GLN  41           H        GLN  41   1.273   7.504 -30.738
  289    HA   GLN  41           HA       GLN  41   4.114   8.045 -30.573
  290    HB2  GLN  41           HB2      GLN  41   1.819   9.670 -29.389
  291    HB3  GLN  41           HB3      GLN  41   3.437  10.233 -29.771
  292    HG2  GLN  41           HG2      GLN  41   3.004   9.980 -32.176
  293    HG3  GLN  41           HG3      GLN  41   1.417   9.279 -31.860
  294   HE21  GLN  41          HE22      GLN  41  -0.340  10.648 -30.978
  295   HE22  GLN  41          HE21      GLN  41  -0.208  12.382 -31.159
  296    HA   PRO  42           HA       PRO  42   4.270   6.396 -26.321
  297    HB2  PRO  42           HB2      PRO  42   6.688   7.379 -25.472
  298    HB3  PRO  42           HB3      PRO  42   6.529   5.997 -26.595
  299    HG2  PRO  42           HG2      PRO  42   7.066   8.900 -27.278
  300    HG3  PRO  42           HG3      PRO  42   7.894   7.441 -27.906
  301    HD2  PRO  42           HD2      PRO  42   5.891   8.705 -29.279
  302    HD3  PRO  42           HD3      PRO  42   6.095   6.927 -29.342
  303    H    ARG  43           H        ARG  43   3.541   7.264 -24.339
  304    HA   ARG  43           HA       ARG  43   2.475   9.909 -24.544
  305    HB2  ARG  43           HB2      ARG  43   2.484   7.960 -22.200
  306    HB3  ARG  43           HB3      ARG  43   1.593   9.481 -22.249
  307    HG2  ARG  43           HG2      ARG  43   0.414   8.647 -24.342
  308    HG3  ARG  43           HG3      ARG  43   1.105   7.062 -23.988
  309    HD2  ARG  43           HD2      ARG  43   0.108   7.144 -21.705
  310    HD3  ARG  43           HD3      ARG  43  -0.624   8.703 -22.080
  311    HE   ARG  43           HE       ARG  43  -1.466   6.045 -22.881
  312   HH11  ARG  43          HH12      ARG  43  -1.743   9.500 -23.797
  313   HH12  ARG  43          HH11      ARG  43  -3.259   9.285 -24.600
  314   HH21  ARG  43          HH21      ARG  43  -3.501   5.816 -23.827
  315   HH22  ARG  43          HH22      ARG  43  -4.281   7.132 -24.647
  316    H    VAL  44           H        VAL  44   5.625   9.553 -24.096
  317    HA   VAL  44           HA       VAL  44   6.262  10.759 -21.621
  318    HB   VAL  44           HB       VAL  44   7.732  10.939 -24.286
  319   HG11  VAL  44          HG11      VAL  44   9.748  11.363 -22.875
  320   HG12  VAL  44          HG12      VAL  44   8.559  12.659 -22.729
  321   HG13  VAL  44          HG13      VAL  44   8.710  11.450 -21.434
  322   HG21  VAL  44          HG21      VAL  44   9.118   9.098 -23.419
  323   HG22  VAL  44          HG22      VAL  44   8.136   9.025 -21.945
  324   HG23  VAL  44          HG23      VAL  44   7.436   8.585 -23.520
  325    H    GLY  45           H        GLY  45   5.887  12.745 -20.867
  326    HA2  GLY  45           HA2      GLY  45   5.957  15.095 -20.953
  327    HA3  GLY  45           HA3      GLY  45   5.632  15.072 -22.689
  328    H    GLN  46           H        GLN  46   3.364  12.942 -21.927
  329    HA   GLN  46           HA       GLN  46   1.202  14.900 -21.661
  330    HB2  GLN  46           HB2      GLN  46   1.191  11.849 -21.586
  331    HB3  GLN  46           HB3      GLN  46  -0.242  12.876 -21.614
  332    HG2  GLN  46           HG2      GLN  46   0.394  13.782 -23.813
  333    HG3  GLN  46           HG3      GLN  46   1.873  12.822 -23.808
  334   HE21  GLN  46          HE22      GLN  46   0.917  12.121 -25.952
  335   HE22  GLN  46          HE21      GLN  46  -0.172  10.758 -25.928
  336    H    TRP  47           H        TRP  47  -0.482  14.449 -19.818
  337    HA   TRP  47           HA       TRP  47   1.005  14.037 -17.265
  338    HB2  TRP  47           HB2      TRP  47  -1.195  16.021 -17.905
  339    HB3  TRP  47           HB3      TRP  47  -0.581  15.665 -16.296
  340    HD1  TRP  47           HD1      TRP  47   0.863  16.930 -19.658
  341    HE1  TRP  47           HE1      TRP  47   2.654  18.684 -19.200
  342    HE3  TRP  47           HE3      TRP  47   0.864  16.744 -14.545
  343    HZ2  TRP  47           HZ2      TRP  47   3.960  19.860 -16.891
  344    HZ3  TRP  47           HZ3      TRP  47   2.397  18.191 -13.243
  345    HH2  TRP  47           HH2      TRP  47   3.946  19.750 -14.398
  346    H    VAL  48           H        VAL  48  -0.393  13.337 -15.454
  347    HA   VAL  48           HA       VAL  48  -2.722  11.727 -16.233
  348    HB   VAL  48           HB       VAL  48  -0.728  10.469 -16.989
  349   HG11  VAL  48          HG11      VAL  48   0.885   9.506 -15.432
  350   HG12  VAL  48          HG12      VAL  48   0.969  11.271 -15.387
  351   HG13  VAL  48          HG13      VAL  48   0.151  10.387 -14.081
  352   HG21  VAL  48          HG21      VAL  48  -2.673   9.188 -16.282
  353   HG22  VAL  48          HG22      VAL  48  -1.157   8.346 -15.948
  354   HG23  VAL  48          HG23      VAL  48  -2.042   9.119 -14.616
  355    H    LEU  49           H        LEU  49  -3.913  11.051 -14.460
  356    HA   LEU  49           HA       LEU  49  -3.299  12.263 -11.813
  357    HB2  LEU  49           HB2      LEU  49  -5.624  10.568 -12.828
  358    HB3  LEU  49           HB3      LEU  49  -5.490  11.228 -11.198
  359    HG   LEU  49           HG       LEU  49  -5.814  12.783 -13.796
  360   HD11  LEU  49          HD11      LEU  49  -7.696  12.408 -11.430
  361   HD12  LEU  49          HD12      LEU  49  -8.021  13.346 -12.906
  362   HD13  LEU  49          HD13      LEU  49  -7.828  11.587 -12.998
  363   HD21  LEU  49          HD21      LEU  49  -5.566  13.815 -10.931
  364   HD22  LEU  49          HD22      LEU  49  -4.456  14.136 -12.287
  365   HD23  LEU  49          HD23      LEU  49  -6.095  14.788 -12.323
  366    H    VAL  50           H        VAL  50  -1.826  11.055 -10.595
  367    HA   VAL  50           HA       VAL  50  -1.664   8.131 -11.043
  368    HB   VAL  50           HB       VAL  50  -0.122   9.910  -9.090
  369   HG11  VAL  50          HG11      VAL  50   1.468   7.991  -9.078
  370   HG12  VAL  50          HG12      VAL  50  -0.119   7.538  -8.454
  371   HG13  VAL  50          HG13      VAL  50   0.345   7.066 -10.100
  372   HG21  VAL  50          HG21      VAL  50   0.621   8.977 -11.896
  373   HG22  VAL  50          HG22      VAL  50   0.415  10.657 -11.347
  374   HG23  VAL  50          HG23      VAL  50   1.756   9.692 -10.728
  375    H    HIS  51           H        HIS  51  -2.895   6.761  -9.770
  376    HA   HIS  51           HA       HIS  51  -3.604   7.653  -7.055
  377    HB2  HIS  51           HB2      HIS  51  -5.550   8.192  -8.544
  378    HB3  HIS  51           HB3      HIS  51  -5.626   6.483  -8.990
  379    HD1  HIS  51           HD1      HIS  51  -5.196   7.664  -5.303
  380    HD2  HIS  51           HD2      HIS  51  -7.995   5.982  -7.974
  381    HE1  HIS  51           HE1      HIS  51  -7.201   6.972  -3.904
  382    H    VAL  52           H        VAL  52  -3.268   6.026  -5.640
  383    HA   VAL  52           HA       VAL  52  -2.184   4.176  -4.908
  384    HB   VAL  52           HB       VAL  52  -3.614   2.175  -4.999
  385   HG11  VAL  52          HG11      VAL  52  -5.484   3.175  -3.798
  386   HG12  VAL  52          HG12      VAL  52  -3.970   3.971  -3.354
  387   HG13  VAL  52          HG13      VAL  52  -5.105   4.773  -4.462
  388   HG21  VAL  52          HG21      VAL  52  -5.781   2.177  -6.076
  389   HG22  VAL  52          HG22      VAL  52  -5.515   3.793  -6.753
  390   HG23  VAL  52          HG23      VAL  52  -4.545   2.416  -7.319
  391    H    GLY  53           H        GLY  53  -0.859   4.953  -7.259
  392    HA2  GLY  53           HA2      GLY  53   1.059   4.089  -8.208
  393    HA3  GLY  53           HA3      GLY  53   0.570   2.455  -7.752
  394    H    PHE  54           H        PHE  54  -1.997   4.008  -9.438
  395    HA   PHE  54           HA       PHE  54  -1.117   2.881 -12.063
  396    HB2  PHE  54           HB2      PHE  54  -3.828   2.823 -10.680
  397    HB3  PHE  54           HB3      PHE  54  -3.636   2.579 -12.402
  398    HD1  PHE  54           HD2      PHE  54  -2.809   1.123  -9.073
  399    HD2  PHE  54           HD1      PHE  54  -2.926   0.499 -13.340
  400    HE1  PHE  54           HE2      PHE  54  -2.427  -1.305  -8.730
  401    HE2  PHE  54           HE1      PHE  54  -2.565  -1.929 -12.992
  402    HZ   PHE  54           HZ       PHE  54  -2.307  -2.837 -10.689
  403    H    ALA  55           H        ALA  55  -1.864   3.986 -13.887
  404    HA   ALA  55           HA       ALA  55  -2.344   6.855 -13.679
  405    HB1  ALA  55           HB1      ALA  55  -2.480   4.820 -15.960
  406    HB2  ALA  55           HB2      ALA  55  -2.739   6.559 -16.173
  407    HB3  ALA  55           HB3      ALA  55  -1.163   5.962 -15.605
  408    H    MET  56           H        MET  56  -4.306   7.409 -12.707
  409    HA   MET  56           HA       MET  56  -6.675   5.762 -12.945
  410    HB2  MET  56           HB2      MET  56  -6.145   7.239 -11.016
  411    HB3  MET  56           HB3      MET  56  -6.390   8.657 -12.032
  412    HG2  MET  56           HG2      MET  56  -8.736   7.994 -12.409
  413    HG3  MET  56           HG3      MET  56  -8.485   6.537 -11.436
  414    HE1  MET  56           HE1      MET  56 -10.601   7.108  -9.977
  415    HE2  MET  56           HE2      MET  56 -10.867   8.677  -9.186
  416    HE3  MET  56           HE3      MET  56 -10.875   8.565 -10.959
  417    H    SER  57           H        SER  57  -5.623   8.893 -14.407
  418    HA   SER  57           HA       SER  57  -7.168   8.349 -16.846
  419    HB2  SER  57           HB2      SER  57  -7.499  10.953 -15.282
  420    HB3  SER  57           HB3      SER  57  -8.298  10.507 -16.794
  421    HG   SER  57           HG       SER  57  -9.687  10.246 -15.018
  422    H    VAL  58           H        VAL  58  -6.033   9.211 -18.600
  423    HA   VAL  58           HA       VAL  58  -3.574  10.774 -18.076
  424    HB   VAL  58           HB       VAL  58  -3.372   8.887 -19.573
  425   HG11  VAL  58          HG11      VAL  58  -5.658   8.696 -20.485
  426   HG12  VAL  58          HG12      VAL  58  -5.414  10.191 -21.415
  427   HG13  VAL  58          HG13      VAL  58  -4.445   8.748 -21.761
  428   HG21  VAL  58          HG21      VAL  58  -1.944  10.809 -20.002
  429   HG22  VAL  58          HG22      VAL  58  -2.363   9.996 -21.509
  430   HG23  VAL  58          HG23      VAL  58  -3.163  11.516 -21.088
  431    H    ILE  59           H        ILE  59  -3.427  12.968 -18.733
  432    HA   ILE  59           HA       ILE  59  -5.906  14.319 -19.607
  433    HB   ILE  59           HB       ILE  59  -5.866  15.828 -17.718
  434   HG12  ILE  59          HG12      ILE  59  -3.615  14.120 -16.587
  435   HG13  ILE  59          HG13      ILE  59  -3.507  15.802 -17.123
  436   HG21  ILE  59          HG21      ILE  59  -6.904  14.439 -16.082
  437   HG22  ILE  59          HG22      ILE  59  -7.245  13.729 -17.655
  438   HG23  ILE  59          HG23      ILE  59  -5.998  13.007 -16.609
  439   HD11  ILE  59          HD11      ILE  59  -5.097  16.450 -15.308
  440   HD12  ILE  59          HD12      ILE  59  -5.071  14.772 -14.730
  441   HD13  ILE  59          HD13      ILE  59  -3.588  15.719 -14.704
  442    H    ASN  60           H        ASN  60  -5.531  16.642 -19.994
  443    HA   ASN  60           HA       ASN  60  -3.022  17.082 -21.450
  444    HB2  ASN  60           HB2      ASN  60  -5.418  18.900 -20.909
  445    HB3  ASN  60           HB3      ASN  60  -4.037  19.323 -21.915
  446   HD21  ASN  60          HD22      ASN  60  -6.849  17.135 -21.672
  447   HD22  ASN  60          HD21      ASN  60  -6.898  16.751 -23.390
  448    H    GLU  61           H        GLU  61  -1.793  19.120 -21.091
  449    HA   GLU  61           HA       GLU  61  -0.715  19.331 -18.507
  450    HB2  GLU  61           HB2      GLU  61  -0.740  21.637 -20.502
  451    HB3  GLU  61           HB3      GLU  61   0.445  21.265 -19.263
  452    HG2  GLU  61           HG2      GLU  61   1.610  20.531 -21.052
  453    HG3  GLU  61           HG3      GLU  61   0.757  19.030 -20.704
  454    H    ALA  62           H        ALA  62  -3.263  21.286 -20.086
  455    HA   ALA  62           HA       ALA  62  -3.430  23.279 -18.054
  456    HB1  ALA  62           HB1      ALA  62  -4.283  23.611 -20.349
  457    HB2  ALA  62           HB2      ALA  62  -5.533  22.371 -20.077
  458    HB3  ALA  62           HB3      ALA  62  -5.561  23.884 -19.150
  459    H    GLU  63           H        GLU  63  -5.095  20.163 -18.508
  460    HA   GLU  63           HA       GLU  63  -7.028  20.504 -16.387
  461    HB2  GLU  63           HB2      GLU  63  -5.869  18.039 -17.748
  462    HB3  GLU  63           HB3      GLU  63  -7.213  17.999 -16.600
  463    HG2  GLU  63           HG2      GLU  63  -8.575  19.388 -18.104
  464    HG3  GLU  63           HG3      GLU  63  -7.235  19.513 -19.248
  465    H    ALA  64           H        ALA  64  -3.773  18.955 -16.645
  466    HA   ALA  64           HA       ALA  64  -3.664  18.051 -13.946
  467    HB1  ALA  64           HB1      ALA  64  -1.257  17.877 -14.317
  468    HB2  ALA  64           HB2      ALA  64  -2.126  17.304 -15.757
  469    HB3  ALA  64           HB3      ALA  64  -1.358  18.902 -15.764
  470    H    ARG  65           H        ARG  65  -2.466  21.078 -15.459
  471    HA   ARG  65           HA       ARG  65  -1.382  22.264 -13.148
  472    HB2  ARG  65           HB2      ARG  65  -1.017  22.879 -15.521
  473    HB3  ARG  65           HB3      ARG  65  -2.634  23.543 -15.623
  474    HG2  ARG  65           HG2      ARG  65  -0.384  24.561 -13.825
  475    HG3  ARG  65           HG3      ARG  65  -0.769  25.189 -15.420
  476    HD2  ARG  65           HD2      ARG  65  -2.465  25.404 -12.916
  477    HD3  ARG  65           HD3      ARG  65  -1.675  26.702 -13.804
  478    HE   ARG  65           HE       ARG  65  -3.292  25.660 -15.716
  479   HH11  ARG  65          HH11      ARG  65  -3.930  26.833 -12.434
  480   HH12  ARG  65          HH12      ARG  65  -5.580  27.239 -12.738
  481   HH21  ARG  65          HH21      ARG  65  -5.501  26.181 -16.129
  482   HH22  ARG  65          HH22      ARG  65  -6.483  26.866 -14.893
  483    H    ASP  66           H        ASP  66  -4.741  22.559 -14.498
  484    HA   ASP  66           HA       ASP  66  -5.684  24.307 -12.455
  485    HB2  ASP  66           HB2      ASP  66  -6.888  23.945 -14.557
  486    HB3  ASP  66           HB3      ASP  66  -7.171  22.254 -14.136
  487    H    THR  67           H        THR  67  -5.679  20.710 -12.663
  488    HA   THR  67           HA       THR  67  -7.076  20.305 -10.213
  489    HB   THR  67           HB       THR  67  -5.059  18.459 -11.564
  490    HG1  THR  67           HG1      THR  67  -6.586  18.979 -13.051
  491   HG21  THR  67          HG21      THR  67  -6.458  16.657 -10.559
  492   HG22  THR  67          HG22      THR  67  -5.717  17.674  -9.314
  493   HG23  THR  67          HG23      THR  67  -7.432  17.887  -9.722
  494    H    LEU  68           H        LEU  68  -3.555  20.618 -10.929
  495    HA   LEU  68           HA       LEU  68  -2.652  20.077  -8.271
  496    HB2  LEU  68           HB2      LEU  68  -1.478  21.643 -10.603
  497    HB3  LEU  68           HB3      LEU  68  -0.608  21.443  -9.088
  498    HG   LEU  68           HG       LEU  68  -1.616  19.051 -10.655
  499   HD11  LEU  68          HD11      LEU  68  -0.174  20.383 -12.136
  500   HD12  LEU  68          HD12      LEU  68   1.106  20.376 -10.902
  501   HD13  LEU  68          HD13      LEU  68   0.583  18.859 -11.674
  502   HD21  LEU  68          HD21      LEU  68   0.603  19.346  -8.589
  503   HD22  LEU  68          HD22      LEU  68  -0.988  18.613  -8.300
  504   HD23  LEU  68          HD23      LEU  68   0.143  17.848  -9.419
  505    H    ASP  69           H        ASP  69  -3.595  23.132  -9.923
  506    HA   ASP  69           HA       ASP  69  -2.848  24.879  -7.795
  507    HB2  ASP  69           HB2      ASP  69  -3.313  25.699 -10.036
  508    HB3  ASP  69           HB3      ASP  69  -4.989  25.154  -9.934
  509    H    ALA  70           H        ALA  70  -5.928  23.143  -8.476
  510    HA   ALA  70           HA       ALA  70  -7.321  24.199  -6.193
  511    HB1  ALA  70           HB1      ALA  70  -7.729  21.587  -7.724
  512    HB2  ALA  70           HB2      ALA  70  -8.874  22.322  -6.584
  513    HB3  ALA  70           HB3      ALA  70  -8.481  23.154  -8.101
  514    H    LEU  71           H        LEU  71  -5.482  21.152  -6.725
  515    HA   LEU  71           HA       LEU  71  -6.018  19.971  -4.244
  516    HB2  LEU  71           HB2      LEU  71  -5.213  18.826  -6.224
  517    HB3  LEU  71           HB3      LEU  71  -3.648  19.623  -6.135
  518    HG   LEU  71           HG       LEU  71  -4.603  17.938  -3.797
  519   HD11  LEU  71          HD11      LEU  71  -3.609  15.938  -4.869
  520   HD12  LEU  71          HD12      LEU  71  -4.993  16.542  -5.781
  521   HD13  LEU  71          HD13      LEU  71  -3.348  16.871  -6.363
  522   HD21  LEU  71          HD21      LEU  71  -2.444  19.134  -3.498
  523   HD22  LEU  71          HD22      LEU  71  -2.169  17.403  -3.617
  524   HD23  LEU  71          HD23      LEU  71  -1.837  18.445  -5.015
  525    H    GLN  72           H        GLN  72  -3.211  22.042  -5.189
  526    HA   GLN  72           HA       GLN  72  -1.943  21.684  -2.644
  527    HB2  GLN  72           HB2      GLN  72  -0.299  23.216  -3.386
  528    HB3  GLN  72           HB3      GLN  72  -0.780  22.247  -4.774
  529    HG2  GLN  72           HG2      GLN  72  -2.349  24.211  -5.397
  530    HG3  GLN  72           HG3      GLN  72  -1.514  25.147  -4.164
  531   HE21  GLN  72          HE22      GLN  72  -1.007  23.217  -7.125
  532   HE22  GLN  72          HE21      GLN  72   0.423  24.082  -7.683
  533    H    ASN  73           H        ASN  73  -4.602  23.719  -3.534
  534    HA   ASN  73           HA       ASN  73  -4.020  26.093  -2.225
  535    HB2  ASN  73           HB2      ASN  73  -5.965  25.726  -3.723
  536    HB3  ASN  73           HB3      ASN  73  -6.741  24.746  -2.472
  537   HD21  ASN  73          HD22      ASN  73  -5.498  28.061  -3.164
  538   HD22  ASN  73          HD21      ASN  73  -6.552  28.862  -2.032
  539    H    MET  74           H        MET  74  -5.191  23.084  -0.758
  540    HA   MET  74           HA       MET  74  -5.999  24.144   1.732
  541    HB2  MET  74           HB2      MET  74  -5.025  21.359   0.950
  542    HB3  MET  74           HB3      MET  74  -5.726  21.768   2.515
  543    HG2  MET  74           HG2      MET  74  -7.481  20.835   1.289
  544    HG3  MET  74           HG3      MET  74  -7.797  22.565   1.340
  545    HE1  MET  74           HE1      MET  74  -9.645  22.353  -0.515
  546    HE2  MET  74           HE2      MET  74  -9.411  21.506  -2.060
  547    HE3  MET  74           HE3      MET  74  -9.388  20.592  -0.535
  548    H    PHE  75           H        PHE  75  -2.727  23.742   0.542
  549    HA   PHE  75           HA       PHE  75  -1.697  24.246   3.290
  550    HB2  PHE  75           HB2      PHE  75   0.077  22.556   2.916
  551    HB3  PHE  75           HB3      PHE  75  -1.533  21.900   3.109
  552    HD1  PHE  75           HD1      PHE  75   1.215  22.478   0.679
  553    HD2  PHE  75           HD2      PHE  75  -2.643  20.668   1.328
  554    HE1  PHE  75           HE1      PHE  75   1.500  21.113  -1.383
  555    HE2  PHE  75           HE2      PHE  75  -2.357  19.317  -0.731
  556    HZ   PHE  75           HZ       PHE  75  -0.274  19.523  -2.079
  557    H    ASP  76           H        ASP  76  -1.329  24.791  -0.174
  558    HA   ASP  76           HA       ASP  76   1.231  25.991  -0.199
  559    HB2  ASP  76           HB2      ASP  76  -0.004  25.453  -2.211
  560    HB3  ASP  76           HB3      ASP  76  -1.284  26.594  -1.783
  561    H    VAL  77           H        VAL  77  -1.742  27.116   1.208
  562    HA   VAL  77           HA       VAL  77  -1.153  29.903   1.406
  563    HB   VAL  77           HB       VAL  77  -2.931  29.808   3.200
  564   HG11  VAL  77          HG11      VAL  77  -4.753  29.301   1.639
  565   HG12  VAL  77          HG12      VAL  77  -3.475  30.234   0.845
  566   HG13  VAL  77          HG13      VAL  77  -3.621  28.492   0.538
  567   HG21  VAL  77          HG21      VAL  77  -2.512  27.444   3.973
  568   HG22  VAL  77          HG22      VAL  77  -4.200  27.784   3.573
  569   HG23  VAL  77          HG23      VAL  77  -3.202  26.856   2.446
  570    H    GLU  78           H        GLU  78   0.568  27.341   2.870
  571    HA   GLU  78           HA       GLU  78   1.587  29.146   4.996
  572    HB2  GLU  78           HB2      GLU  78   0.602  26.268   5.283
  573    HB3  GLU  78           HB3      GLU  78   1.714  27.009   6.430
  574    HG2  GLU  78           HG2      GLU  78   0.058  28.822   6.866
  575    HG3  GLU  78           HG3      GLU  78  -1.090  28.013   5.798
  576    HA   PRO  79           HA       PRO  79   5.482  27.739   3.410
  577    HB2  PRO  79           HB2      PRO  79   7.131  27.673   5.619
  578    HB3  PRO  79           HB3      PRO  79   6.554  29.176   4.839
  579    HG2  PRO  79           HG2      PRO  79   5.383  27.763   7.255
  580    HG3  PRO  79           HG3      PRO  79   5.778  29.504   7.074
  581    HD2  PRO  79           HD2      PRO  79   3.257  28.598   6.718
  582    HD3  PRO  79           HD3      PRO  79   3.919  29.868   5.650
  583    H    ASP  80           H        ASP  80   3.663  25.787   5.537
  584    HA   ASP  80           HA       ASP  80   5.157  23.429   5.835
  585    HB2  ASP  80           HB2      ASP  80   2.950  23.810   6.834
  586    HB3  ASP  80           HB3      ASP  80   2.204  23.826   5.234
  587    H    VAL  81           H        VAL  81   3.645  24.804   2.889
  588    HA   VAL  81           HA       VAL  81   3.792  22.484   1.282
  589    HB   VAL  81           HB       VAL  81   2.604  24.593   0.766
  590   HG11  VAL  81          HG11      VAL  81   3.670  26.490  -0.264
  591   HG12  VAL  81          HG12      VAL  81   4.475  26.219   1.285
  592   HG13  VAL  81          HG13      VAL  81   5.262  25.714  -0.219
  593   HG21  VAL  81          HG21      VAL  81   2.996  22.868  -0.967
  594   HG22  VAL  81          HG22      VAL  81   2.891  24.500  -1.643
  595   HG23  VAL  81          HG23      VAL  81   4.472  23.709  -1.465
  596    H    GLY  82           H        GLY  82   6.363  24.776   2.245
  597    HA2  GLY  82           HA2      GLY  82   8.328  23.728   0.358
  598    HA3  GLY  82           HA3      GLY  82   8.600  24.850   1.707
  599    H    ALA  83           H        ALA  83   7.543  23.365   3.856
  600    HA   ALA  83           HA       ALA  83   9.685  21.640   4.536
  601    HB1  ALA  83           HB1      ALA  83   6.865  21.708   5.700
  602    HB2  ALA  83           HB2      ALA  83   8.303  21.006   6.461
  603    HB3  ALA  83           HB3      ALA  83   8.217  22.758   6.194
  604    H    LEU  84           H        LEU  84   6.431  20.911   3.213
  605    HA   LEU  84           HA       LEU  84   6.736  18.061   3.072
  606    HB2  LEU  84           HB2      LEU  84   4.555  19.094   2.904
  607    HB3  LEU  84           HB3      LEU  84   5.057  20.099   1.549
  608    HG   LEU  84           HG       LEU  84   5.237  18.119   0.086
  609   HD11  LEU  84          HD11      LEU  84   5.789  16.376   1.732
  610   HD12  LEU  84          HD12      LEU  84   4.190  16.557   2.487
  611   HD13  LEU  84          HD13      LEU  84   4.337  15.934   0.830
  612   HD21  LEU  84          HD21      LEU  84   2.568  18.328   1.538
  613   HD22  LEU  84          HD22      LEU  84   3.128  19.379   0.221
  614   HD23  LEU  84          HD23      LEU  84   2.832  17.663  -0.090
  615    H    LEU  85           H        LEU  85   7.124  20.610   0.508
  616    HA   LEU  85           HA       LEU  85   7.785  18.864  -1.535
  617    HB2  LEU  85           HB2      LEU  85   7.127  21.185  -1.885
  618    HB3  LEU  85           HB3      LEU  85   8.605  21.761  -1.109
  619    HG   LEU  85           HG       LEU  85   9.971  20.847  -2.951
  620   HD11  LEU  85          HD11      LEU  85   8.865  20.038  -5.036
  621   HD12  LEU  85          HD12      LEU  85   8.610  18.932  -3.687
  622   HD13  LEU  85          HD13      LEU  85   7.301  20.025  -4.192
  623   HD21  LEU  85          HD21      LEU  85   9.264  22.438  -4.671
  624   HD22  LEU  85          HD22      LEU  85   7.654  22.567  -3.926
  625   HD23  LEU  85          HD23      LEU  85   9.090  23.152  -3.061
  626    H    TYR  86           H        TYR  86  10.071  20.569   0.658
  627    HA   TYR  86           HA       TYR  86  12.337  19.200  -0.652
  628    HB2  TYR  86           HB2      TYR  86  12.287  21.347   1.494
  629    HB3  TYR  86           HB3      TYR  86  13.704  20.782   0.618
  630    HD1  TYR  86           HD2      TYR  86  13.386  20.837  -2.098
  631    HD2  TYR  86           HD1      TYR  86  11.368  23.385   0.740
  632    HE1  TYR  86           HE2      TYR  86  12.977  22.492  -3.887
  633    HE2  TYR  86           HE1      TYR  86  10.949  25.049  -1.044
  634    HH   TYR  86           HH       TYR  86  12.052  24.562  -4.434
  635    H    GLY  87           H        GLY  87  10.227  18.131   1.565
  636    HA2  GLY  87           HA2      GLY  87  12.164  17.067   3.542
  637    HA3  GLY  87           HA3      GLY  87  10.402  17.016   3.622
  638    H    GLU  88           H        GLU  88  11.349  14.747   4.220
  639    HA   GLU  88           HA       GLU  88  11.351  13.000   1.807
  640    HB2  GLU  88           HB2      GLU  88  12.767  11.474   3.054
  641    HB3  GLU  88           HB3      GLU  88  13.506  13.068   2.941
  642    HG2  GLU  88           HG2      GLU  88  12.796  13.577   5.272
  643    HG3  GLU  88           HG3      GLU  88  12.037  11.991   5.394
  644    H    GLU  89           H        GLU  89   9.143  14.113   3.679
  645    HA   GLU  89           HA       GLU  89   7.990  11.782   4.954
  646    HB2  GLU  89           HB2      GLU  89   6.185  13.267   5.535
  647    HB3  GLU  89           HB3      GLU  89   7.718  14.091   5.800
  648    HG2  GLU  89           HG2      GLU  89   7.423  15.361   3.696
  649    HG3  GLU  89           HG3      GLU  89   5.892  14.531   3.405
  650    H    LYS  90           H        LYS  90   8.461  12.057   1.810
  651    HA   LYS  90           HA       LYS  90   6.090  10.690   0.924
  652    HB2  LYS  90           HB2      LYS  90   5.702  12.332  -0.962
  653    HB3  LYS  90           HB3      LYS  90   5.149  12.825   0.615
  654    HG2  LYS  90           HG2      LYS  90   6.112  14.663  -0.682
  655    HG3  LYS  90           HG3      LYS  90   6.904  14.431   0.872
  656    HD2  LYS  90           HD2      LYS  90   8.864  13.503  -0.145
  657    HD3  LYS  90           HD3      LYS  90   8.078  13.392  -1.743
  658    HE2  LYS  90           HE2      LYS  90   7.998  15.780  -1.966
  659    HE3  LYS  90           HE3      LYS  90   8.367  16.018  -0.256
  660    HZ1  LYS  90           HZ1      LYS  90  10.304  14.918  -2.198
  661    HZ2  LYS  90           HZ2      LYS  90  10.260  16.472  -1.654
  662    HZ3  LYS  90           HZ3      LYS  90  10.579  15.269  -0.603
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   5.041  13.157   0.771
    2    H2   MET   1           H2       MET   1   4.415  11.724   1.257
    3    H3   MET   1           H3       MET   1   5.334  11.785  -0.088
    4    HA   MET   1           HA       MET   1   2.696  13.002   0.292
    5    HB2  MET   1           HB2      MET   1   2.719  13.739  -1.996
    6    HB3  MET   1           HB3      MET   1   4.106  14.421  -1.159
    7    HG2  MET   1           HG2      MET   1   5.557  12.663  -2.217
    8    HG3  MET   1           HG3      MET   1   4.143  12.064  -3.093
    9    HE1  MET   1           HE1      MET   1   6.329  13.651  -5.897
   10    HE2  MET   1           HE2      MET   1   6.871  12.770  -4.456
   11    HE3  MET   1           HE3      MET   1   5.443  12.208  -5.360
   12    H    CYS   2           H        CYS   2   0.929  11.846  -0.521
   13    HA   CYS   2           HA       CYS   2   1.240   9.015  -1.093
   14    HB2  CYS   2           HB2      CYS   2  -1.122  10.905  -1.558
   15    HB3  CYS   2           HB3      CYS   2  -1.176   9.138  -1.605
   16    HG   CYS   2           HG       CYS   2  -2.291   9.986   0.604
   17    H    ILE   3           H        ILE   3   0.932   8.008  -3.159
   18    HA   ILE   3           HA       ILE   3   1.681   9.632  -5.477
   19    HB   ILE   3           HB       ILE   3   2.877   7.624  -5.153
   20   HG12  ILE   3          HG12      ILE   3   2.701   6.506  -7.265
   21   HG13  ILE   3          HG13      ILE   3   1.077   7.122  -7.537
   22   HG21  ILE   3          HG21      ILE   3   0.244   6.122  -5.148
   23   HG22  ILE   3          HG22      ILE   3   1.832   5.352  -5.333
   24   HG23  ILE   3          HG23      ILE   3   1.448   6.223  -3.851
   25   HD11  ILE   3          HD11      ILE   3   2.851   8.329  -8.822
   26   HD12  ILE   3          HD12      ILE   3   1.930   9.408  -7.764
   27   HD13  ILE   3          HD13      ILE   3   3.563   8.873  -7.290
   28    H    GLY   4           H        GLY   4  -0.333  10.809  -4.844
   29    HA2  GLY   4           HA2      GLY   4  -2.682   9.953  -6.453
   30    HA3  GLY   4           HA3      GLY   4  -2.868  10.542  -4.791
   31    H    VAL   5           H        VAL   5  -0.985  11.449  -7.724
   32    HA   VAL   5           HA       VAL   5  -1.700  14.286  -7.514
   33    HB   VAL   5           HB       VAL   5   0.771  14.854  -7.589
   34   HG11  VAL   5          HG11      VAL   5  -0.046  13.475  -5.003
   35   HG12  VAL   5          HG12      VAL   5   1.158  14.758  -5.209
   36   HG13  VAL   5          HG13      VAL   5  -0.551  15.101  -5.509
   37   HG21  VAL   5          HG21      VAL   5   1.721  12.649  -8.201
   38   HG22  VAL   5          HG22      VAL   5   2.420  13.265  -6.700
   39   HG23  VAL   5          HG23      VAL   5   1.213  11.982  -6.633
   40    HA   PRO   6           HA       PRO   6  -0.833  13.596 -11.907
   41    HB2  PRO   6           HB2      PRO   6  -0.580  16.110 -12.899
   42    HB3  PRO   6           HB3      PRO   6  -2.150  15.499 -12.280
   43    HG2  PRO   6           HG2      PRO   6  -0.110  17.207 -10.826
   44    HG3  PRO   6           HG3      PRO   6  -1.881  17.465 -10.953
   45    HD2  PRO   6           HD2      PRO   6  -0.697  16.232  -8.796
   46    HD3  PRO   6           HD3      PRO   6  -2.334  15.798  -9.369
   47    H    GLY   7           H        GLY   7   0.951  13.747 -13.465
   48    HA2  GLY   7           HA2      GLY   7   3.297  15.324 -12.883
   49    HA3  GLY   7           HA3      GLY   7   3.586  13.598 -12.625
   50    H    GLN   8           H        GLN   8   4.986  14.921 -14.610
   51    HA   GLN   8           HA       GLN   8   3.589  14.512 -17.190
   52    HB2  GLN   8           HB2      GLN   8   5.009  16.556 -16.679
   53    HB3  GLN   8           HB3      GLN   8   6.426  15.502 -16.706
   54    HG2  GLN   8           HG2      GLN   8   5.955  14.889 -19.051
   55    HG3  GLN   8           HG3      GLN   8   4.418  15.753 -18.989
   56   HE21  GLN   8          HE22      GLN   8   5.023  17.051 -20.816
   57   HE22  GLN   8          HE21      GLN   8   6.170  18.367 -20.641
   58    H    ILE   9           H        ILE   9   3.929  12.641 -18.388
   59    HA   ILE   9           HA       ILE   9   5.388  10.426 -17.237
   60    HB   ILE   9           HB       ILE   9   4.274  10.810 -20.051
   61   HG12  ILE   9          HG12      ILE   9   3.002   9.428 -17.640
   62   HG13  ILE   9          HG13      ILE   9   2.544  11.029 -18.230
   63   HG21  ILE   9          HG21      ILE   9   4.998   8.237 -18.549
   64   HG22  ILE   9          HG22      ILE   9   4.386   8.355 -20.210
   65   HG23  ILE   9          HG23      ILE   9   5.988   8.963 -19.828
   66   HD11  ILE   9          HD11      ILE   9   1.830  10.102 -20.366
   67   HD12  ILE   9          HD12      ILE   9   2.212   8.450 -19.795
   68   HD13  ILE   9          HD13      ILE   9   0.950   9.393 -19.006
   69    H    ARG  10           H        ARG  10   7.594  10.416 -17.145
   70    HA   ARG  10           HA       ARG  10   9.048  12.071 -19.148
   71    HB2  ARG  10           HB2      ARG  10   9.179  12.953 -16.926
   72    HB3  ARG  10           HB3      ARG  10   9.592  11.391 -16.244
   73    HG2  ARG  10           HG2      ARG  10  11.552  12.834 -16.325
   74    HG3  ARG  10           HG3      ARG  10  11.786  11.433 -17.361
   75    HD2  ARG  10           HD2      ARG  10  11.097  12.916 -19.346
   76    HD3  ARG  10           HD3      ARG  10  11.082  14.272 -18.223
   77    HE   ARG  10           HE       ARG  10  13.382  14.276 -18.148
   78   HH11  ARG  10          HH11      ARG  10  12.343  11.328 -19.892
   79   HH12  ARG  10          HH12      ARG  10  13.916  11.021 -20.538
   80   HH21  ARG  10          HH21      ARG  10  15.460  13.808 -18.987
   81   HH22  ARG  10          HH22      ARG  10  15.720  12.435 -19.992
   82    H    THR  11           H        THR  11   8.950   8.794 -17.705
   83    HA   THR  11           HA       THR  11  10.382   7.892 -20.088
   84    HB   THR  11           HB       THR  11  11.689   6.253 -18.618
   85    HG1  THR  11           HG1      THR  11  11.945   6.665 -16.555
   86   HG21  THR  11          HG21      THR  11  13.599   7.678 -18.352
   87   HG22  THR  11          HG22      THR  11  12.758   8.193 -19.823
   88   HG23  THR  11          HG23      THR  11  12.599   9.141 -18.323
   89    H    ILE  12           H        ILE  12   9.998   5.563 -20.427
   90    HA   ILE  12           HA       ILE  12   7.736   4.380 -18.946
   91    HB   ILE  12           HB       ILE  12   7.947   4.661 -21.973
   92   HG12  ILE  12          HG12      ILE  12   5.844   5.672 -20.001
   93   HG13  ILE  12          HG13      ILE  12   7.009   6.658 -20.867
   94   HG21  ILE  12          HG21      ILE  12   5.915   3.297 -22.132
   95   HG22  ILE  12          HG22      ILE  12   7.175   2.378 -21.357
   96   HG23  ILE  12          HG23      ILE  12   5.880   3.088 -20.364
   97   HD11  ILE  12          HD11      ILE  12   4.639   5.172 -22.029
   98   HD12  ILE  12          HD12      ILE  12   4.937   6.910 -21.997
   99   HD13  ILE  12          HD13      ILE  12   5.931   5.872 -23.037
  100    H    ASP  13           H        ASP  13   8.046   2.160 -18.703
  101    HA   ASP  13           HA       ASP  13  10.619   1.025 -19.747
  102    HB2  ASP  13           HB2      ASP  13  10.621   1.405 -17.328
  103    HB3  ASP  13           HB3      ASP  13   9.114   0.500 -17.161
  104    H    GLY  14           H        GLY  14   7.139   0.661 -19.543
  105    HA2  GLY  14           HA2      GLY  14   6.819  -1.190 -21.579
  106    HA3  GLY  14           HA3      GLY  14   6.936  -2.146 -20.082
  107    H    ASN  15           H        ASN  15   4.882  -2.592 -19.397
  108    HA   ASN  15           HA       ASN  15   2.581  -0.894 -19.697
  109    HB2  ASN  15           HB2      ASN  15   2.352  -3.282 -19.277
  110    HB3  ASN  15           HB3      ASN  15   3.227  -3.143 -17.748
  111   HD21  ASN  15          HD22      ASN  15   2.005  -2.791 -15.893
  112   HD22  ASN  15          HD21      ASN  15   0.438  -2.055 -15.859
  113    H    GLN  16           H        GLN  16   5.360  -0.539 -17.671
  114    HA   GLN  16           HA       GLN  16   3.885   1.327 -15.878
  115    HB2  GLN  16           HB2      GLN  16   6.350  -0.313 -15.177
  116    HB3  GLN  16           HB3      GLN  16   5.475   0.817 -14.129
  117    HG2  GLN  16           HG2      GLN  16   3.407  -0.648 -14.491
  118    HG3  GLN  16           HG3      GLN  16   4.466  -1.850 -15.219
  119   HE21  GLN  16          HE21      GLN  16   2.778  -1.970 -12.749
  120   HE22  GLN  16          HE22      GLN  16   3.890  -2.385 -11.449
  121    H    ALA  17           H        ALA  17   5.112   3.142 -15.165
  122    HA   ALA  17           HA       ALA  17   7.223   4.150 -16.961
  123    HB1  ALA  17           HB1      ALA  17   5.057   4.535 -18.135
  124    HB2  ALA  17           HB2      ALA  17   4.411   5.333 -16.682
  125    HB3  ALA  17           HB3      ALA  17   5.746   6.073 -17.578
  126    H    LYS  18           H        LYS  18   7.651   6.547 -16.260
  127    HA   LYS  18           HA       LYS  18   7.266   6.843 -13.317
  128    HB2  LYS  18           HB2      LYS  18   9.875   6.844 -14.853
  129    HB3  LYS  18           HB3      LYS  18   9.692   7.686 -13.307
  130    HG2  LYS  18           HG2      LYS  18   9.099   5.658 -12.153
  131    HG3  LYS  18           HG3      LYS  18   9.046   4.739 -13.671
  132    HD2  LYS  18           HD2      LYS  18  11.454   5.008 -13.974
  133    HD3  LYS  18           HD3      LYS  18  11.544   6.071 -12.565
  134    HE2  LYS  18           HE2      LYS  18  12.328   3.834 -11.989
  135    HE3  LYS  18           HE3      LYS  18  10.883   4.250 -11.066
  136    HZ1  LYS  18           HZ1      LYS  18   9.578   2.807 -12.454
  137    HZ2  LYS  18           HZ2      LYS  18  10.840   2.548 -13.492
  138    HZ3  LYS  18           HZ3      LYS  18  10.887   1.974 -11.970
  139    H    VAL  19           H        VAL  19   6.155   8.616 -13.042
  140    HA   VAL  19           HA       VAL  19   6.162  10.744 -15.061
  141    HB   VAL  19           HB       VAL  19   4.382  11.650 -13.469
  142   HG11  VAL  19          HG11      VAL  19   3.989   9.045 -14.975
  143   HG12  VAL  19          HG12      VAL  19   2.662  10.022 -14.311
  144   HG13  VAL  19          HG13      VAL  19   3.727  10.707 -15.547
  145   HG21  VAL  19          HG21      VAL  19   4.904  10.234 -11.455
  146   HG22  VAL  19          HG22      VAL  19   3.219  10.187 -11.966
  147   HG23  VAL  19          HG23      VAL  19   4.285   8.822 -12.341
  148    H    ASP  20           H        ASP  20   7.104  12.732 -14.670
  149    HA   ASP  20           HA       ASP  20   8.709  13.065 -12.205
  150    HB2  ASP  20           HB2      ASP  20   9.801  13.852 -14.205
  151    HB3  ASP  20           HB3      ASP  20   8.351  14.715 -14.740
  152    H    VAL  21           H        VAL  21   7.688  13.769 -10.467
  153    HA   VAL  21           HA       VAL  21   5.168  15.287 -10.638
  154    HB   VAL  21           HB       VAL  21   6.591  14.200  -8.175
  155   HG11  VAL  21          HG11      VAL  21   4.369  14.385  -7.137
  156   HG12  VAL  21          HG12      VAL  21   4.841  15.958  -7.768
  157   HG13  VAL  21          HG13      VAL  21   3.669  14.970  -8.662
  158   HG21  VAL  21          HG21      VAL  21   4.447  12.858  -9.879
  159   HG22  VAL  21          HG22      VAL  21   6.099  12.268  -9.590
  160   HG23  VAL  21          HG23      VAL  21   4.945  12.323  -8.260
  161    H    CYS  22           H        CYS  22   6.797  16.811 -11.796
  162    HA   CYS  22           HA       CYS  22   7.916  18.755 -11.909
  163    HB2  CYS  22           HB2      CYS  22   6.324  19.415  -9.404
  164    HB3  CYS  22           HB3      CYS  22   6.969  20.564 -10.584
  165    HG   CYS  22           HG       CYS  22   4.753  18.147 -11.049
  166    H    GLY  23           H        GLY  23   9.613  16.831 -10.626
  167    HA2  GLY  23           HA2      GLY  23  11.748  18.316  -9.939
  168    HA3  GLY  23           HA3      GLY  23  10.941  18.166  -8.368
  169    H    ILE  24           H        ILE  24   9.885  15.446  -8.984
  170    HA   ILE  24           HA       ILE  24  12.299  13.775  -9.120
  171    HB   ILE  24           HB       ILE  24  11.700  12.469  -7.213
  172   HG12  ILE  24          HG12      ILE  24   9.398  12.730  -6.786
  173   HG13  ILE  24          HG13      ILE  24  10.278  13.287  -5.375
  174   HG21  ILE  24          HG21      ILE  24  12.243  15.346  -6.462
  175   HG22  ILE  24          HG22      ILE  24  12.637  13.894  -5.515
  176   HG23  ILE  24          HG23      ILE  24  13.404  14.149  -7.093
  177   HD11  ILE  24          HD11      ILE  24   8.803  14.961  -7.414
  178   HD12  ILE  24          HD12      ILE  24   8.452  14.773  -5.691
  179   HD13  ILE  24          HD13      ILE  24   9.898  15.670  -6.197
  180    H    GLN  25           H        GLN  25  11.966  11.834  -9.845
  181    HA   GLN  25           HA       GLN  25   9.434  11.379 -11.282
  182    HB2  GLN  25           HB2      GLN  25  12.110   9.962 -11.342
  183    HB3  GLN  25           HB3      GLN  25  10.647   9.208 -11.975
  184    HG2  GLN  25           HG2      GLN  25  10.268  11.276 -13.406
  185    HG3  GLN  25           HG3      GLN  25  11.881  11.817 -12.933
  186   HE21  GLN  25          HE22      GLN  25  10.030   9.633 -15.010
  187   HE22  GLN  25          HE21      GLN  25  11.383   8.839 -15.753
  188    H    ARG  26           H        ARG  26   7.950   9.878 -10.792
  189    HA   ARG  26           HA       ARG  26   8.477   7.914  -8.623
  190    HB2  ARG  26           HB2      ARG  26   6.022   9.733  -8.822
  191    HB3  ARG  26           HB3      ARG  26   6.142   8.339  -7.755
  192    HG2  ARG  26           HG2      ARG  26   7.877  10.847  -7.592
  193    HG3  ARG  26           HG3      ARG  26   6.527  10.428  -6.535
  194    HD2  ARG  26           HD2      ARG  26   7.725   8.396  -5.779
  195    HD3  ARG  26           HD3      ARG  26   9.086   8.797  -6.816
  196    HE   ARG  26           HE       ARG  26   8.219  10.258  -4.383
  197   HH11  ARG  26          HH11      ARG  26  10.714   9.781  -6.887
  198   HH12  ARG  26          HH12      ARG  26  12.019  10.270  -5.859
  199   HH21  ARG  26          HH21      ARG  26   9.941  11.059  -3.090
  200   HH22  ARG  26          HH22      ARG  26  11.547  11.116  -3.700
  201    H    ASP  27           H        ASP  27   7.345   5.974  -8.867
  202    HA   ASP  27           HA       ASP  27   6.967   5.309 -11.662
  203    HB2  ASP  27           HB2      ASP  27   8.190   3.941  -9.920
  204    HB3  ASP  27           HB3      ASP  27   6.626   3.557  -9.201
  205    H    VAL  28           H        VAL  28   5.092   4.410 -12.645
  206    HA   VAL  28           HA       VAL  28   2.591   4.286 -11.142
  207    HB   VAL  28           HB       VAL  28   2.608   6.603 -11.844
  208   HG11  VAL  28          HG11      VAL  28   2.621   7.298 -14.212
  209   HG12  VAL  28          HG12      VAL  28   4.175   6.605 -13.721
  210   HG13  VAL  28          HG13      VAL  28   3.043   5.648 -14.700
  211   HG21  VAL  28          HG21      VAL  28   0.532   6.709 -13.068
  212   HG22  VAL  28          HG22      VAL  28   0.751   5.074 -13.697
  213   HG23  VAL  28          HG23      VAL  28   0.478   5.320 -11.963
  214    H    ASP  29           H        ASP  29   1.184   2.792 -12.014
  215    HA   ASP  29           HA       ASP  29   2.120   1.133 -14.288
  216    HB2  ASP  29           HB2      ASP  29   1.372   0.152 -12.064
  217    HB3  ASP  29           HB3      ASP  29  -0.251   0.735 -12.427
  218    H    LEU  30           H        LEU  30   1.068   1.190 -16.268
  219    HA   LEU  30           HA       LEU  30  -0.969   3.333 -16.566
  220    HB2  LEU  30           HB2      LEU  30   0.958   2.170 -18.613
  221    HB3  LEU  30           HB3      LEU  30  -0.191   3.462 -18.895
  222    HG   LEU  30           HG       LEU  30   2.269   3.599 -17.117
  223   HD11  LEU  30          HD11      LEU  30   2.913   5.376 -18.756
  224   HD12  LEU  30          HD12      LEU  30   2.707   3.789 -19.516
  225   HD13  LEU  30          HD13      LEU  30   1.444   5.037 -19.680
  226   HD21  LEU  30          HD21      LEU  30   0.104   5.707 -17.553
  227   HD22  LEU  30          HD22      LEU  30   0.537   4.921 -16.016
  228   HD23  LEU  30          HD23      LEU  30   1.682   6.008 -16.799
  229    H    THR  31           H        THR  31  -1.347   0.189 -16.028
  230    HA   THR  31           HA       THR  31  -2.518  -1.049 -18.183
  231    HB   THR  31           HB       THR  31  -4.287  -1.782 -16.259
  232    HG1  THR  31           HG1      THR  31  -1.996  -0.983 -14.797
  233   HG21  THR  31          HG21      THR  31  -2.707  -3.304 -17.334
  234   HG22  THR  31          HG22      THR  31  -1.404  -2.700 -16.295
  235   HG23  THR  31          HG23      THR  31  -2.780  -3.561 -15.582
  236    H    LEU  32           H        LEU  32  -4.005   1.545 -16.267
  237    HA   LEU  32           HA       LEU  32  -6.613   1.165 -17.503
  238    HB2  LEU  32           HB2      LEU  32  -5.588   3.281 -15.578
  239    HB3  LEU  32           HB3      LEU  32  -7.276   3.040 -16.018
  240    HG   LEU  32           HG       LEU  32  -5.527   1.026 -14.532
  241   HD11  LEU  32          HD11      LEU  32  -6.129   2.940 -13.148
  242   HD12  LEU  32          HD12      LEU  32  -7.845   2.751 -13.570
  243   HD13  LEU  32          HD13      LEU  32  -7.007   1.502 -12.618
  244   HD21  LEU  32          HD21      LEU  32  -7.658  -0.225 -14.168
  245   HD22  LEU  32          HD22      LEU  32  -8.477   0.874 -15.299
  246   HD23  LEU  32          HD23      LEU  32  -7.175  -0.200 -15.861
  247    H    VAL  33           H        VAL  33  -3.874   2.734 -18.698
  248    HA   VAL  33           HA       VAL  33  -5.577   4.478 -20.415
  249    HB   VAL  33           HB       VAL  33  -3.931   6.275 -20.279
  250   HG11  VAL  33          HG11      VAL  33  -4.505   7.155 -18.086
  251   HG12  VAL  33          HG12      VAL  33  -5.903   6.317 -18.776
  252   HG13  VAL  33          HG13      VAL  33  -4.942   5.543 -17.498
  253   HG21  VAL  33          HG21      VAL  33  -2.219   6.354 -18.512
  254   HG22  VAL  33          HG22      VAL  33  -2.580   4.675 -18.063
  255   HG23  VAL  33          HG23      VAL  33  -1.896   5.053 -19.656
  256    H    GLY  34           H        GLY  34  -2.899   2.268 -20.182
  257    HA2  GLY  34           HA2      GLY  34  -1.766   1.170 -21.842
  258    HA3  GLY  34           HA3      GLY  34  -2.517   2.180 -23.086
  259    H    SER  35           H        SER  35   0.409   1.456 -22.407
  260    HA   SER  35           HA       SER  35   1.670   3.912 -21.642
  261    HB2  SER  35           HB2      SER  35   2.883   1.528 -23.086
  262    HB3  SER  35           HB3      SER  35   3.718   2.742 -22.099
  263    HG   SER  35           HG       SER  35   3.421   1.032 -20.804
  264    H    CYS  36           H        CYS  36   0.163   3.110 -24.565
  265    HA   CYS  36           HA       CYS  36   1.627   5.275 -25.943
  266    HB2  CYS  36           HB2      CYS  36   1.171   4.081 -28.094
  267    HB3  CYS  36           HB3      CYS  36   2.369   3.289 -27.062
  268    HG   CYS  36           HG       CYS  36  -0.864   2.593 -27.363
  269    H    ASP  37           H        ASP  37   0.337   6.499 -27.352
  270    HA   ASP  37           HA       ASP  37  -2.384   6.898 -26.371
  271    HB2  ASP  37           HB2      ASP  37  -0.691   8.731 -26.840
  272    HB3  ASP  37           HB3      ASP  37  -0.854   8.356 -28.557
  273    H    GLU  38           H        GLU  38  -4.094   7.391 -28.158
  274    HA   GLU  38           HA       GLU  38  -4.800   4.963 -29.360
  275    HB2  GLU  38           HB2      GLU  38  -5.651   7.817 -30.012
  276    HB3  GLU  38           HB3      GLU  38  -6.474   6.370 -30.618
  277    HG2  GLU  38           HG2      GLU  38  -6.903   5.642 -28.266
  278    HG3  GLU  38           HG3      GLU  38  -6.169   7.137 -27.680
  279    H    ASN  39           H        ASN  39  -3.019   7.659 -30.723
  280    HA   ASN  39           HA       ASN  39  -2.914   6.646 -33.466
  281    HB2  ASN  39           HB2      ASN  39  -1.341   8.632 -33.746
  282    HB3  ASN  39           HB3      ASN  39  -2.973   9.011 -33.210
  283   HD21  ASN  39          HD21      ASN  39  -2.995  10.538 -31.609
  284   HD22  ASN  39          HD22      ASN  39  -2.020  10.451 -30.170
  285    H    GLY  40           H        GLY  40  -1.295   5.670 -30.663
  286    HA2  GLY  40           HA2      GLY  40   0.168   3.906 -30.645
  287    HA3  GLY  40           HA3      GLY  40   0.679   4.254 -32.298
  288    H    GLN  41           H        GLN  41   0.925   7.230 -30.737
  289    HA   GLN  41           HA       GLN  41   3.809   7.090 -30.566
  290    HB2  GLN  41           HB2      GLN  41   1.781   9.114 -29.524
  291    HB3  GLN  41           HB3      GLN  41   3.527   9.344 -29.444
  292    HG2  GLN  41           HG2      GLN  41   3.737   9.353 -31.858
  293    HG3  GLN  41           HG3      GLN  41   2.039   8.923 -32.070
  294   HE21  GLN  41          HE22      GLN  41   0.413  10.478 -31.037
  295   HE22  GLN  41          HE21      GLN  41   0.764  12.197 -31.158
  296    HA   PRO  42           HA       PRO  42   3.915   5.611 -26.249
  297    HB2  PRO  42           HB2      PRO  42   6.381   6.525 -25.454
  298    HB3  PRO  42           HB3      PRO  42   6.151   5.097 -26.506
  299    HG2  PRO  42           HG2      PRO  42   6.825   7.932 -27.334
  300    HG3  PRO  42           HG3      PRO  42   7.572   6.404 -27.895
  301    HD2  PRO  42           HD2      PRO  42   5.627   7.712 -29.310
  302    HD3  PRO  42           HD3      PRO  42   5.742   5.925 -29.300
  303    H    ARG  43           H        ARG  43   3.288   6.616 -24.272
  304    HA   ARG  43           HA       ARG  43   2.267   9.245 -24.675
  305    HB2  ARG  43           HB2      ARG  43   2.242   7.468 -22.201
  306    HB3  ARG  43           HB3      ARG  43   1.441   9.039 -22.309
  307    HG2  ARG  43           HG2      ARG  43   0.195   8.155 -24.363
  308    HG3  ARG  43           HG3      ARG  43   0.739   6.548 -23.853
  309    HD2  ARG  43           HD2      ARG  43  -0.251   6.982 -21.584
  310    HD3  ARG  43           HD3      ARG  43  -0.878   8.527 -22.162
  311    HE   ARG  43           HE       ARG  43  -1.877   5.842 -22.645
  312   HH11  ARG  43          HH11      ARG  43  -1.913   9.129 -24.048
  313   HH12  ARG  43          HH12      ARG  43  -3.267   8.802 -25.082
  314   HH21  ARG  43          HH21      ARG  43  -3.883   5.599 -23.647
  315   HH22  ARG  43          HH22      ARG  43  -4.543   6.834 -24.679
  316    H    VAL  44           H        VAL  44   5.469   8.767 -23.996
  317    HA   VAL  44           HA       VAL  44   6.025  10.417 -21.795
  318    HB   VAL  44           HB       VAL  44   8.188  10.858 -22.990
  319   HG11  VAL  44          HG11      VAL  44   7.869   8.950 -21.448
  320   HG12  VAL  44          HG12      VAL  44   7.387   7.930 -22.828
  321   HG13  VAL  44          HG13      VAL  44   9.028   8.593 -22.734
  322   HG21  VAL  44          HG21      VAL  44   7.424  10.686 -25.354
  323   HG22  VAL  44          HG22      VAL  44   8.767   9.597 -24.997
  324   HG23  VAL  44          HG23      VAL  44   7.122   8.952 -25.124
  325    H    GLY  45           H        GLY  45   6.193  12.568 -21.447
  326    HA2  GLY  45           HA2      GLY  45   6.370  14.828 -22.002
  327    HA3  GLY  45           HA3      GLY  45   5.816  14.500 -23.649
  328    H    GLN  46           H        GLN  46   3.479  12.829 -22.458
  329    HA   GLN  46           HA       GLN  46   1.613  15.083 -22.071
  330    HB2  GLN  46           HB2      GLN  46   1.268  12.055 -22.228
  331    HB3  GLN  46           HB3      GLN  46  -0.028  13.122 -21.738
  332    HG2  GLN  46           HG2      GLN  46  -0.243  12.567 -24.088
  333    HG3  GLN  46           HG3      GLN  46  -0.032  14.298 -23.842
  334   HE21  GLN  46          HE22      GLN  46   2.354  11.573 -24.100
  335   HE22  GLN  46          HE21      GLN  46   3.287  12.305 -25.372
  336    H    TRP  47           H        TRP  47   0.077  14.877 -20.133
  337    HA   TRP  47           HA       TRP  47   1.613  14.132 -17.693
  338    HB2  TRP  47           HB2      TRP  47  -0.545  16.228 -18.093
  339    HB3  TRP  47           HB3      TRP  47   0.071  15.710 -16.533
  340    HD1  TRP  47           HD1      TRP  47   1.525  17.232 -19.790
  341    HE1  TRP  47           HE1      TRP  47   3.339  18.918 -19.195
  342    HE3  TRP  47           HE3      TRP  47   1.546  16.606 -14.715
  343    HZ2  TRP  47           HZ2      TRP  47   4.611  19.936 -16.792
  344    HZ3  TRP  47           HZ3      TRP  47   3.081  17.939 -13.295
  345    HH2  TRP  47           HH2      TRP  47   4.612  19.604 -14.325
  346    H    VAL  48           H        VAL  48   0.380  13.109 -16.014
  347    HA   VAL  48           HA       VAL  48  -2.250  12.037 -16.771
  348    HB   VAL  48           HB       VAL  48  -0.595  10.460 -17.684
  349   HG11  VAL  48          HG11      VAL  48   1.259  10.814 -16.084
  350   HG12  VAL  48          HG12      VAL  48   0.322   9.975 -14.828
  351   HG13  VAL  48          HG13      VAL  48   0.852   9.101 -16.279
  352   HG21  VAL  48          HG21      VAL  48  -2.113   9.288 -15.336
  353   HG22  VAL  48          HG22      VAL  48  -2.727   9.540 -16.985
  354   HG23  VAL  48          HG23      VAL  48  -1.424   8.389 -16.705
  355    H    LEU  49           H        LEU  49  -3.519  11.824 -15.060
  356    HA   LEU  49           HA       LEU  49  -2.645  12.808 -12.420
  357    HB2  LEU  49           HB2      LEU  49  -4.798  13.539 -13.372
  358    HB3  LEU  49           HB3      LEU  49  -5.292  11.860 -13.597
  359    HG   LEU  49           HG       LEU  49  -5.326  11.517 -11.178
  360   HD11  LEU  49          HD11      LEU  49  -5.165  13.560  -9.663
  361   HD12  LEU  49          HD12      LEU  49  -3.628  13.012 -10.327
  362   HD13  LEU  49          HD13      LEU  49  -4.433  14.427 -11.035
  363   HD21  LEU  49          HD21      LEU  49  -6.876  13.973 -12.077
  364   HD22  LEU  49          HD22      LEU  49  -7.319  12.275 -12.378
  365   HD23  LEU  49          HD23      LEU  49  -7.299  12.904 -10.720
  366    H    VAL  50           H        VAL  50  -2.125  11.304 -10.775
  367    HA   VAL  50           HA       VAL  50  -2.538   8.420 -11.412
  368    HB   VAL  50           HB       VAL  50  -0.353   9.704  -9.718
  369   HG11  VAL  50          HG11      VAL  50  -0.711   6.884 -10.791
  370   HG12  VAL  50          HG12      VAL  50   0.759   7.488 -10.004
  371   HG13  VAL  50          HG13      VAL  50  -0.745   7.389  -9.089
  372   HG21  VAL  50          HG21      VAL  50   0.072  10.426 -11.987
  373   HG22  VAL  50          HG22      VAL  50   1.153   9.072 -11.666
  374   HG23  VAL  50          HG23      VAL  50  -0.316   8.820 -12.637
  375    H    HIS  51           H        HIS  51  -3.159   7.070  -9.687
  376    HA   HIS  51           HA       HIS  51  -3.721   8.211  -7.059
  377    HB2  HIS  51           HB2      HIS  51  -5.972   7.280  -6.937
  378    HB3  HIS  51           HB3      HIS  51  -5.862   8.563  -8.125
  379    HD1  HIS  51           HD1      HIS  51  -4.672   5.636  -9.982
  380    HD2  HIS  51           HD2      HIS  51  -8.359   7.063  -8.543
  381    HE1  HIS  51           HE1      HIS  51  -6.474   4.496 -11.374
  382    H    VAL  52           H        VAL  52  -3.120   6.756  -5.539
  383    HA   VAL  52           HA       VAL  52  -1.945   5.038  -4.715
  384    HB   VAL  52           HB       VAL  52  -3.227   2.962  -4.542
  385   HG11  VAL  52          HG11      VAL  52  -4.935   5.465  -4.230
  386   HG12  VAL  52          HG12      VAL  52  -5.121   3.928  -3.366
  387   HG13  VAL  52          HG13      VAL  52  -3.680   4.918  -3.096
  388   HG21  VAL  52          HG21      VAL  52  -4.242   2.875  -6.837
  389   HG22  VAL  52          HG22      VAL  52  -5.419   2.677  -5.530
  390   HG23  VAL  52          HG23      VAL  52  -5.306   4.224  -6.386
  391    H    GLY  53           H        GLY  53  -0.854   5.700  -7.245
  392    HA2  GLY  53           HA2      GLY  53   1.046   4.886  -8.303
  393    HA3  GLY  53           HA3      GLY  53   0.757   3.288  -7.618
  394    H    PHE  54           H        PHE  54  -2.081   4.413  -9.201
  395    HA   PHE  54           HA       PHE  54  -1.328   3.114 -11.789
  396    HB2  PHE  54           HB2      PHE  54  -3.925   3.013 -10.201
  397    HB3  PHE  54           HB3      PHE  54  -3.823   2.613 -11.905
  398    HD1  PHE  54           HD2      PHE  54  -2.653   1.567  -8.515
  399    HD2  PHE  54           HD1      PHE  54  -3.014   0.499 -12.679
  400    HE1  PHE  54           HE2      PHE  54  -2.003  -0.767  -7.976
  401    HE2  PHE  54           HE1      PHE  54  -2.370  -1.830 -12.139
  402    HZ   PHE  54           HZ       PHE  54  -1.857  -2.471  -9.786
  403    H    ALA  55           H        ALA  55  -1.971   4.227 -13.624
  404    HA   ALA  55           HA       ALA  55  -2.460   7.037 -13.497
  405    HB1  ALA  55           HB1      ALA  55  -3.049   6.749 -15.917
  406    HB2  ALA  55           HB2      ALA  55  -1.507   5.987 -15.475
  407    HB3  ALA  55           HB3      ALA  55  -2.967   4.990 -15.702
  408    H    MET  56           H        MET  56  -4.310   8.174 -13.228
  409    HA   MET  56           HA       MET  56  -6.889   6.752 -12.907
  410    HB2  MET  56           HB2      MET  56  -6.090   8.379 -11.183
  411    HB3  MET  56           HB3      MET  56  -6.136   9.664 -12.391
  412    HG2  MET  56           HG2      MET  56  -8.539   9.397 -12.663
  413    HG3  MET  56           HG3      MET  56  -8.538   7.964 -11.628
  414    HE1  MET  56           HE1      MET  56 -10.545   8.941 -10.240
  415    HE2  MET  56           HE2      MET  56 -10.550  10.560  -9.507
  416    HE3  MET  56           HE3      MET  56 -10.553  10.387 -11.276
  417    H    SER  57           H        SER  57  -5.594   9.706 -14.586
  418    HA   SER  57           HA       SER  57  -7.040   8.997 -17.060
  419    HB2  SER  57           HB2      SER  57  -7.385  11.683 -15.642
  420    HB3  SER  57           HB3      SER  57  -8.135  11.182 -17.164
  421    HG   SER  57           HG       SER  57  -9.579  11.026 -15.408
  422    H    VAL  58           H        VAL  58  -6.022   9.975 -18.887
  423    HA   VAL  58           HA       VAL  58  -3.395  11.245 -18.479
  424    HB   VAL  58           HB       VAL  58  -5.016  10.869 -21.039
  425   HG11  VAL  58          HG11      VAL  58  -2.841  11.104 -22.175
  426   HG12  VAL  58          HG12      VAL  58  -3.184  12.548 -21.220
  427   HG13  VAL  58          HG13      VAL  58  -2.026  11.344 -20.613
  428   HG21  VAL  58          HG21      VAL  58  -2.891   9.049 -19.812
  429   HG22  VAL  58          HG22      VAL  58  -4.602   8.652 -20.101
  430   HG23  VAL  58          HG23      VAL  58  -3.527   8.908 -21.467
  431    H    ILE  59           H        ILE  59  -3.074  13.551 -18.784
  432    HA   ILE  59           HA       ILE  59  -5.515  15.203 -19.064
  433    HB   ILE  59           HB       ILE  59  -5.093  16.447 -17.087
  434   HG12  ILE  59          HG12      ILE  59  -2.747  14.610 -16.458
  435   HG13  ILE  59          HG13      ILE  59  -2.638  16.298 -16.982
  436   HG21  ILE  59          HG21      ILE  59  -5.067  13.557 -16.162
  437   HG22  ILE  59          HG22      ILE  59  -5.822  14.942 -15.375
  438   HG23  ILE  59          HG23      ILE  59  -6.481  14.349 -16.897
  439   HD11  ILE  59          HD11      ILE  59  -3.769  15.301 -14.356
  440   HD12  ILE  59          HD12      ILE  59  -2.326  16.274 -14.636
  441   HD13  ILE  59          HD13      ILE  59  -3.935  16.972 -14.942
  442    H    ASN  60           H        ASN  60  -5.010  17.480 -19.405
  443    HA   ASN  60           HA       ASN  60  -2.651  17.880 -21.109
  444    HB2  ASN  60           HB2      ASN  60  -4.865  19.764 -20.165
  445    HB3  ASN  60           HB3      ASN  60  -3.550  20.236 -21.234
  446   HD21  ASN  60          HD22      ASN  60  -6.423  18.118 -20.990
  447   HD22  ASN  60          HD21      ASN  60  -6.629  17.940 -22.728
  448    H    GLU  61           H        GLU  61  -1.207  19.774 -20.718
  449    HA   GLU  61           HA       GLU  61   0.087  19.658 -18.209
  450    HB2  GLU  61           HB2      GLU  61   0.237  22.107 -20.002
  451    HB3  GLU  61           HB3      GLU  61   1.464  21.409 -18.960
  452    HG2  GLU  61           HG2      GLU  61   2.297  20.738 -20.963
  453    HG3  GLU  61           HG3      GLU  61   1.264  19.348 -20.662
  454    H    ALA  62           H        ALA  62  -2.318  21.984 -19.485
  455    HA   ALA  62           HA       ALA  62  -2.269  23.775 -17.264
  456    HB1  ALA  62           HB1      ALA  62  -4.405  24.602 -18.189
  457    HB2  ALA  62           HB2      ALA  62  -3.203  24.376 -19.474
  458    HB3  ALA  62           HB3      ALA  62  -4.513  23.187 -19.254
  459    H    GLU  63           H        GLU  63  -4.076  20.759 -17.880
  460    HA   GLU  63           HA       GLU  63  -5.881  21.048 -15.631
  461    HB2  GLU  63           HB2      GLU  63  -5.000  18.660 -17.286
  462    HB3  GLU  63           HB3      GLU  63  -6.177  18.553 -15.972
  463    HG2  GLU  63           HG2      GLU  63  -7.651  20.143 -17.121
  464    HG3  GLU  63           HG3      GLU  63  -6.485  20.308 -18.440
  465    H    ALA  64           H        ALA  64  -2.597  19.635 -16.110
  466    HA   ALA  64           HA       ALA  64  -2.450  18.437 -13.517
  467    HB1  ALA  64           HB1      ALA  64  -0.047  18.424 -13.847
  468    HB2  ALA  64           HB2      ALA  64  -0.836  17.973 -15.376
  469    HB3  ALA  64           HB3      ALA  64  -0.156  19.599 -15.163
  470    H    ARG  65           H        ARG  65  -1.490  21.724 -14.677
  471    HA   ARG  65           HA       ARG  65  -0.637  22.627 -12.084
  472    HB2  ARG  65           HB2      ARG  65  -1.762  24.283 -14.394
  473    HB3  ARG  65           HB3      ARG  65  -0.881  24.911 -13.005
  474    HG2  ARG  65           HG2      ARG  65   0.231  23.138 -15.212
  475    HG3  ARG  65           HG3      ARG  65   0.582  24.840 -14.923
  476    HD2  ARG  65           HD2      ARG  65   1.652  24.240 -12.753
  477    HD3  ARG  65           HD3      ARG  65   1.308  22.526 -13.084
  478    HE   ARG  65           HE       ARG  65   2.783  23.814 -15.218
  479   HH11  ARG  65          HH11      ARG  65   3.144  22.249 -12.062
  480   HH12  ARG  65          HH12      ARG  65   4.721  21.633 -12.370
  481   HH21  ARG  65          HH21      ARG  65   4.939  23.096 -15.611
  482   HH22  ARG  65          HH22      ARG  65   5.809  22.227 -14.408
  483    H    ASP  66           H        ASP  66  -3.848  22.841 -13.706
  484    HA   ASP  66           HA       ASP  66  -5.138  24.261 -11.622
  485    HB2  ASP  66           HB2      ASP  66  -6.137  23.959 -13.830
  486    HB3  ASP  66           HB3      ASP  66  -6.244  22.214 -13.579
  487    H    THR  67           H        THR  67  -4.653  20.721 -12.062
  488    HA   THR  67           HA       THR  67  -6.178  19.972  -9.765
  489    HB   THR  67           HB       THR  67  -3.903  18.488 -11.148
  490    HG1  THR  67           HG1      THR  67  -5.461  18.938 -12.617
  491   HG21  THR  67          HG21      THR  67  -5.124  16.458 -10.323
  492   HG22  THR  67          HG22      THR  67  -4.446  17.426  -9.009
  493   HG23  THR  67          HG23      THR  67  -6.184  17.511  -9.366
  494    H    LEU  68           H        LEU  68  -2.647  20.691 -10.191
  495    HA   LEU  68           HA       LEU  68  -1.941  20.031  -7.493
  496    HB2  LEU  68           HB2      LEU  68  -0.702  21.899  -9.553
  497    HB3  LEU  68           HB3      LEU  68   0.023  21.629  -7.973
  498    HG   LEU  68           HG       LEU  68  -0.552  19.362  -9.915
  499   HD11  LEU  68          HD11      LEU  68   2.043  20.901  -9.507
  500   HD12  LEU  68          HD12      LEU  68   1.843  19.436 -10.496
  501   HD13  LEU  68          HD13      LEU  68   1.013  20.926 -10.960
  502   HD21  LEU  68          HD21      LEU  68   1.121  18.135  -8.558
  503   HD22  LEU  68          HD22      LEU  68   1.233  19.519  -7.450
  504   HD23  LEU  68          HD23      LEU  68  -0.281  18.603  -7.595
  505    H    ASP  69           H        ASP  69  -3.095  23.084  -8.987
  506    HA   ASP  69           HA       ASP  69  -2.877  24.682  -6.608
  507    HB2  ASP  69           HB2      ASP  69  -3.151  25.691  -8.807
  508    HB3  ASP  69           HB3      ASP  69  -4.725  24.919  -9.010
  509    H    ALA  70           H        ALA  70  -5.649  22.769  -7.966
  510    HA   ALA  70           HA       ALA  70  -7.448  23.418  -5.878
  511    HB1  ALA  70           HB1      ALA  70  -8.712  21.447  -6.641
  512    HB2  ALA  70           HB2      ALA  70  -8.145  22.416  -8.016
  513    HB3  ALA  70           HB3      ALA  70  -7.315  20.899  -7.592
  514    H    LEU  71           H        LEU  71  -5.109  20.717  -6.177
  515    HA   LEU  71           HA       LEU  71  -5.982  19.275  -3.932
  516    HB2  LEU  71           HB2      LEU  71  -4.585  18.362  -5.746
  517    HB3  LEU  71           HB3      LEU  71  -3.235  19.381  -5.240
  518    HG   LEU  71           HG       LEU  71  -3.077  18.146  -3.103
  519   HD11  LEU  71          HD11      LEU  71  -5.413  17.452  -2.745
  520   HD12  LEU  71          HD12      LEU  71  -5.362  16.441  -4.205
  521   HD13  LEU  71          HD13      LEU  71  -4.369  16.033  -2.789
  522   HD21  LEU  71          HD21      LEU  71  -3.145  16.326  -5.541
  523   HD22  LEU  71          HD22      LEU  71  -1.804  17.390  -5.064
  524   HD23  LEU  71          HD23      LEU  71  -2.263  16.030  -4.027
  525    H    GLN  72           H        GLN  72  -3.581  21.955  -4.117
  526    HA   GLN  72           HA       GLN  72  -3.062  21.681  -1.225
  527    HB2  GLN  72           HB2      GLN  72  -1.592  23.562  -1.437
  528    HB3  GLN  72           HB3      GLN  72  -1.254  22.359  -2.675
  529    HG2  GLN  72           HG2      GLN  72  -2.684  23.838  -4.247
  530    HG3  GLN  72           HG3      GLN  72  -2.537  25.092  -3.017
  531   HE21  GLN  72          HE22      GLN  72  -0.905  23.158  -5.461
  532   HE22  GLN  72          HE21      GLN  72   0.610  24.053  -5.480
  533    H    ASN  73           H        ASN  73  -5.008  23.791  -3.400
  534    HA   ASN  73           HA       ASN  73  -5.780  25.709  -1.524
  535    HB2  ASN  73           HB2      ASN  73  -6.225  25.898  -3.936
  536    HB3  ASN  73           HB3      ASN  73  -7.399  24.579  -3.841
  537   HD21  ASN  73          HD22      ASN  73  -6.734  27.947  -2.916
  538   HD22  ASN  73          HD21      ASN  73  -8.381  28.355  -2.515
  539    H    MET  74           H        MET  74  -7.333  22.540  -2.221
  540    HA   MET  74           HA       MET  74  -9.550  22.933  -0.541
  541    HB2  MET  74           HB2      MET  74  -9.988  20.593  -0.780
  542    HB3  MET  74           HB3      MET  74  -9.414  21.233  -2.318
  543    HG2  MET  74           HG2      MET  74  -7.145  20.340  -1.803
  544    HG3  MET  74           HG3      MET  74  -7.767  19.620  -0.321
  545    HE1  MET  74           HE1      MET  74  -9.380  17.573  -0.204
  546    HE2  MET  74           HE2      MET  74 -10.616  18.402  -1.179
  547    HE3  MET  74           HE3      MET  74 -10.095  16.765  -1.617
  548    H    PHE  75           H        PHE  75  -6.317  22.542   0.538
  549    HA   PHE  75           HA       PHE  75  -7.339  21.837   3.257
  550    HB2  PHE  75           HB2      PHE  75  -4.515  21.472   2.240
  551    HB3  PHE  75           HB3      PHE  75  -5.162  20.972   3.797
  552    HD1  PHE  75           HD2      PHE  75  -7.517  19.465   3.415
  553    HD2  PHE  75           HD1      PHE  75  -4.109  19.700   0.777
  554    HE1  PHE  75           HE2      PHE  75  -8.145  17.287   2.392
  555    HE2  PHE  75           HE1      PHE  75  -4.728  17.522  -0.216
  556    HZ   PHE  75           HZ       PHE  75  -6.748  16.321   0.577
  557    H    ASP  76           H        ASP  76  -5.645  24.191   1.247
  558    HA   ASP  76           HA       ASP  76  -4.602  25.824   3.349
  559    HB2  ASP  76           HB2      ASP  76  -3.942  26.093   0.998
  560    HB3  ASP  76           HB3      ASP  76  -5.594  26.552   0.569
  561    H    VAL  77           H        VAL  77  -7.855  25.623   1.799
  562    HA   VAL  77           HA       VAL  77  -8.932  27.894   3.118
  563    HB   VAL  77           HB       VAL  77 -11.154  26.898   2.651
  564   HG11  VAL  77          HG11      VAL  77 -10.972  27.063   0.218
  565   HG12  VAL  77          HG12      VAL  77  -9.976  28.295   1.005
  566   HG13  VAL  77          HG13      VAL  77  -9.212  26.855   0.304
  567   HG21  VAL  77          HG21      VAL  77  -9.609  24.536   1.487
  568   HG22  VAL  77          HG22      VAL  77 -10.742  24.488   2.852
  569   HG23  VAL  77          HG23      VAL  77 -11.328  24.873   1.237
  570    H    GLU  78           H        GLU  78  -8.857  24.494   4.126
  571    HA   GLU  78           HA       GLU  78  -8.351  25.121   6.807
  572    HB2  GLU  78           HB2      GLU  78 -10.325  24.155   7.911
  573    HB3  GLU  78           HB3      GLU  78 -10.732  25.621   7.043
  574    HG2  GLU  78           HG2      GLU  78 -11.582  24.117   5.138
  575    HG3  GLU  78           HG3      GLU  78 -11.393  22.760   6.251
  576    HA   PRO  79           HA       PRO  79  -6.779  21.060   5.935
  577    HB2  PRO  79           HB2      PRO  79  -5.954  20.166   8.387
  578    HB3  PRO  79           HB3      PRO  79  -5.162  21.518   7.526
  579    HG2  PRO  79           HG2      PRO  79  -7.275  21.683   9.700
  580    HG3  PRO  79           HG3      PRO  79  -5.717  22.567   9.604
  581    HD2  PRO  79           HD2      PRO  79  -8.061  23.692   8.787
  582    HD3  PRO  79           HD3      PRO  79  -6.531  24.002   7.914
  583    H    ASP  80           H        ASP  80  -9.562  21.468   7.955
  584    HA   ASP  80           HA       ASP  80 -10.122  18.922   8.905
  585    HB2  ASP  80           HB2      ASP  80 -11.332  20.962   9.536
  586    HB3  ASP  80           HB3      ASP  80 -12.039  21.061   7.920
  587    H    VAL  81           H        VAL  81 -10.485  20.088   5.586
  588    HA   VAL  81           HA       VAL  81 -12.279  18.135   4.598
  589    HB   VAL  81           HB       VAL  81  -9.973  19.513   3.161
  590   HG11  VAL  81          HG11      VAL  81 -10.936  17.695   1.800
  591   HG12  VAL  81          HG12      VAL  81 -12.570  18.336   2.069
  592   HG13  VAL  81          HG13      VAL  81 -11.378  19.266   1.133
  593   HG21  VAL  81          HG21      VAL  81 -11.721  21.190   2.477
  594   HG22  VAL  81          HG22      VAL  81 -12.853  20.431   3.618
  595   HG23  VAL  81          HG23      VAL  81 -11.373  21.233   4.197
  596    H    GLY  82           H        GLY  82  -8.837  17.848   5.480
  597    HA2  GLY  82           HA2      GLY  82  -8.215  15.451   4.053
  598    HA3  GLY  82           HA3      GLY  82  -7.473  16.025   5.562
  599    H    ALA  83           H        ALA  83  -9.887  16.070   7.161
  600    HA   ALA  83           HA       ALA  83  -9.978  13.280   7.929
  601    HB1  ALA  83           HB1      ALA  83 -11.563  15.626   9.049
  602    HB2  ALA  83           HB2      ALA  83 -11.219  14.069   9.829
  603    HB3  ALA  83           HB3      ALA  83  -9.900  15.209   9.541
  604    H    LEU  84           H        LEU  84 -11.450  14.628   5.386
  605    HA   LEU  84           HA       LEU  84 -13.829  12.836   5.577
  606    HB2  LEU  84           HB2      LEU  84 -14.629  15.108   5.528
  607    HB3  LEU  84           HB3      LEU  84 -13.504  15.547   4.246
  608    HG   LEU  84           HG       LEU  84 -14.708  14.131   2.632
  609   HD11  LEU  84          HD11      LEU  84 -15.660  12.404   4.148
  610   HD12  LEU  84          HD12      LEU  84 -16.715  13.631   4.874
  611   HD13  LEU  84          HD13      LEU  84 -16.912  13.174   3.172
  612   HD21  LEU  84          HD21      LEU  84 -16.720  15.528   2.459
  613   HD22  LEU  84          HD22      LEU  84 -16.510  16.068   4.140
  614   HD23  LEU  84          HD23      LEU  84 -15.309  16.499   2.903
  615    H    LEU  85           H        LEU  85 -11.279  14.304   3.443
  616    HA   LEU  85           HA       LEU  85 -11.758  12.551   1.259
  617    HB2  LEU  85           HB2      LEU  85 -10.452  14.678   1.139
  618    HB3  LEU  85           HB3      LEU  85  -9.168  13.928   2.090
  619    HG   LEU  85           HG       LEU  85  -8.856  12.217   0.259
  620   HD11  LEU  85          HD11      LEU  85 -10.852  13.966  -1.255
  621   HD12  LEU  85          HD12      LEU  85  -9.830  12.707  -1.983
  622   HD13  LEU  85          HD13      LEU  85 -11.069  12.257  -0.815
  623   HD21  LEU  85          HD21      LEU  85  -8.597  15.120  -0.590
  624   HD22  LEU  85          HD22      LEU  85  -7.427  14.175   0.360
  625   HD23  LEU  85          HD23      LEU  85  -7.749  13.740  -1.321
  626    H    TYR  86           H        TYR  86  -9.641  12.242   4.128
  627    HA   TYR  86           HA       TYR  86  -9.320   9.349   3.603
  628    HB2  TYR  86           HB2      TYR  86  -6.897   9.570   4.252
  629    HB3  TYR  86           HB3      TYR  86  -7.340  10.169   2.678
  630    HD1  TYR  86           HD1      TYR  86  -6.385  11.263   6.130
  631    HD2  TYR  86           HD2      TYR  86  -6.950  12.419   2.014
  632    HE1  TYR  86           HE1      TYR  86  -5.257  13.417   6.586
  633    HE2  TYR  86           HE2      TYR  86  -5.816  14.575   2.455
  634    HH   TYR  86           HH       TYR  86  -4.752  15.910   4.043
  635    H    GLY  87           H        GLY  87 -11.187  10.604   5.276
  636    HA2  GLY  87           HA2      GLY  87 -10.590   9.268   7.766
  637    HA3  GLY  87           HA3      GLY  87 -10.761  11.023   7.940
  638    H    GLU  88           H        GLU  88 -12.647  10.013   9.287
  639    HA   GLU  88           HA       GLU  88 -15.101   9.967   7.625
  640    HB2  GLU  88           HB2      GLU  88 -14.136   7.633   8.230
  641    HB3  GLU  88           HB3      GLU  88 -14.638   7.984   9.883
  642    HG2  GLU  88           HG2      GLU  88 -16.999   8.266   9.050
  643    HG3  GLU  88           HG3      GLU  88 -16.436   7.966   7.408
  644    H    GLU  89           H        GLU  89 -13.826  12.081   9.189
  645    HA   GLU  89           HA       GLU  89 -15.243  12.360  11.718
  646    HB2  GLU  89           HB2      GLU  89 -12.975  13.323  11.092
  647    HB3  GLU  89           HB3      GLU  89 -13.814  14.460  10.036
  648    HG2  GLU  89           HG2      GLU  89 -13.227  15.530  12.121
  649    HG3  GLU  89           HG3      GLU  89 -14.973  15.419  12.027
  650    H    LYS  90           H        LYS  90 -16.150  12.637   8.455
  651    HA   LYS  90           HA       LYS  90 -18.694  13.906   9.090
  652    HB2  LYS  90           HB2      LYS  90 -17.303  15.783   8.256
  653    HB3  LYS  90           HB3      LYS  90 -16.808  14.824   6.867
  654    HG2  LYS  90           HG2      LYS  90 -18.466  16.452   6.206
  655    HG3  LYS  90           HG3      LYS  90 -19.128  14.830   6.007
  656    HD2  LYS  90           HD2      LYS  90 -20.414  15.086   8.117
  657    HD3  LYS  90           HD3      LYS  90 -19.688  16.690   8.369
  658    HE2  LYS  90           HE2      LYS  90 -20.698  17.470   6.235
  659    HE3  LYS  90           HE3      LYS  90 -21.412  15.872   5.984
  660    HZ1  LYS  90           HZ1      LYS  90 -22.055  17.687   8.237
  661    HZ2  LYS  90           HZ2      LYS  90 -23.000  17.411   6.941
  662    HZ3  LYS  90           HZ3      LYS  90 -22.716  16.209   8.003
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -0.674   9.245   3.342
    2    H2   MET   1           H2       MET   1   0.104  10.594   2.848
    3    H3   MET   1           H3       MET   1  -1.142  10.711   3.915
    4    HA   MET   1           HA       MET   1  -2.680   9.876   2.246
    5    HB2  MET   1           HB2      MET   1  -1.100  12.379   1.488
    6    HB3  MET   1           HB3      MET   1  -2.547  11.841   0.644
    7    HG2  MET   1           HG2      MET   1  -3.233  13.504   2.152
    8    HG3  MET   1           HG3      MET   1  -3.846  11.972   2.757
    9    HE1  MET   1           HE1      MET   1  -4.478  13.208   5.017
   10    HE2  MET   1           HE2      MET   1  -3.329  14.161   5.983
   11    HE3  MET   1           HE3      MET   1  -3.822  14.730   4.373
   12    H    CYS   2           H        CYS   2  -3.020   8.910   0.246
   13    HA   CYS   2           HA       CYS   2  -0.815   7.702  -1.166
   14    HB2  CYS   2           HB2      CYS   2  -3.703   8.148  -2.065
   15    HB3  CYS   2           HB3      CYS   2  -2.552   6.993  -2.745
   16    HG   CYS   2           HG       CYS   2  -2.196   5.591  -0.562
   17    H    ILE   3           H        ILE   3  -0.496   8.095  -3.565
   18    HA   ILE   3           HA       ILE   3   0.000  10.922  -4.059
   19    HB   ILE   3           HB       ILE   3   1.097  10.101  -6.134
   20   HG12  ILE   3          HG12      ILE   3   0.665   7.290  -5.003
   21   HG13  ILE   3          HG13      ILE   3  -0.202   7.940  -6.390
   22   HG21  ILE   3          HG21      ILE   3   2.253  10.523  -3.963
   23   HG22  ILE   3          HG22      ILE   3   2.080   8.804  -3.554
   24   HG23  ILE   3          HG23      ILE   3   3.063   9.309  -4.944
   25   HD11  ILE   3          HD11      ILE   3   2.010   8.287  -7.555
   26   HD12  ILE   3          HD12      ILE   3   2.792   7.428  -6.207
   27   HD13  ILE   3          HD13      ILE   3   1.606   6.593  -7.214
   28    H    GLY   4           H        GLY   4  -2.479  11.066  -3.782
   29    HA2  GLY   4           HA2      GLY   4  -4.144  10.637  -6.118
   30    HA3  GLY   4           HA3      GLY   4  -4.554  11.518  -4.647
   31    H    VAL   5           H        VAL   5  -2.052  11.923  -7.227
   32    HA   VAL   5           HA       VAL   5  -2.955  14.645  -7.838
   33    HB   VAL   5           HB       VAL   5  -0.464  15.366  -7.556
   34   HG11  VAL   5          HG11      VAL   5  -2.342  16.306  -6.258
   35   HG12  VAL   5          HG12      VAL   5  -2.145  15.021  -5.045
   36   HG13  VAL   5          HG13      VAL   5  -0.849  16.202  -5.313
   37   HG21  VAL   5          HG21      VAL   5   0.414  13.081  -6.937
   38   HG22  VAL   5          HG22      VAL   5   0.825  14.367  -5.788
   39   HG23  VAL   5          HG23      VAL   5  -0.459  13.214  -5.394
   40    HA   PRO   6           HA       PRO   6  -1.477  13.102 -11.700
   41    HB2  PRO   6           HB2      PRO   6  -1.208  15.359 -13.233
   42    HB3  PRO   6           HB3      PRO   6  -2.794  14.763 -12.664
   43    HG2  PRO   6           HG2      PRO   6  -1.049  16.900 -11.415
   44    HG3  PRO   6           HG3      PRO   6  -2.801  16.992 -11.794
   45    HD2  PRO   6           HD2      PRO   6  -1.904  16.365  -9.295
   46    HD3  PRO   6           HD3      PRO   6  -3.373  15.609  -9.980
   47    H    GLY   7           H        GLY   7   0.322  13.308 -13.342
   48    HA2  GLY   7           HA2      GLY   7   2.656  14.892 -12.648
   49    HA3  GLY   7           HA3      GLY   7   2.922  13.144 -12.511
   50    H    GLN   8           H        GLN   8   4.400  14.502 -14.342
   51    HA   GLN   8           HA       GLN   8   3.074  14.157 -16.994
   52    HB2  GLN   8           HB2      GLN   8   4.205  16.359 -16.373
   53    HB3  GLN   8           HB3      GLN   8   5.744  15.493 -16.409
   54    HG2  GLN   8           HG2      GLN   8   5.344  14.883 -18.790
   55    HG3  GLN   8           HG3      GLN   8   3.749  15.633 -18.717
   56   HE21  GLN   8          HE22      GLN   8   4.384  16.976 -20.550
   57   HE22  GLN   8          HE21      GLN   8   5.434  18.363 -20.294
   58    H    ILE   9           H        ILE   9   3.829  12.628 -18.405
   59    HA   ILE   9           HA       ILE   9   5.465  10.458 -17.403
   60    HB   ILE   9           HB       ILE   9   4.204  10.996 -20.121
   61   HG12  ILE   9          HG12      ILE   9   3.254   9.195 -17.839
   62   HG13  ILE   9          HG13      ILE   9   2.575  10.780 -18.196
   63   HG21  ILE   9          HG21      ILE   9   5.281   8.362 -19.005
   64   HG22  ILE   9          HG22      ILE   9   4.551   8.620 -20.604
   65   HG23  ILE   9          HG23      ILE   9   6.106   9.335 -20.230
   66   HD11  ILE   9          HD11      ILE   9   2.434   8.347 -20.007
   67   HD12  ILE   9          HD12      ILE   9   1.132   9.074 -19.070
   68   HD13  ILE   9          HD13      ILE   9   1.848   9.984 -20.411
   69    H    ARG  10           H        ARG  10   7.411  11.665 -16.921
   70    HA   ARG  10           HA       ARG  10   8.960  12.850 -19.085
   71    HB2  ARG  10           HB2      ARG  10   9.725  11.971 -16.263
   72    HB3  ARG  10           HB3      ARG  10  10.798  12.858 -17.342
   73    HG2  ARG  10           HG2      ARG  10   8.093  13.921 -16.420
   74    HG3  ARG  10           HG3      ARG  10   9.616  14.219 -15.591
   75    HD2  ARG  10           HD2      ARG  10  10.509  15.484 -17.441
   76    HD3  ARG  10           HD3      ARG  10   9.206  14.959 -18.510
   77    HE   ARG  10           HE       ARG  10   7.928  16.677 -17.797
   78   HH11  ARG  10          HH21      ARG  10  10.366  16.268 -15.225
   79   HH12  ARG  10          HH22      ARG  10   9.390  17.133 -14.062
   80   HH21  ARG  10          HH11      ARG  10   6.926  18.061 -16.407
   81   HH22  ARG  10          HH12      ARG  10   7.570  18.391 -14.813
   82    H    THR  11           H        THR  11   8.676   9.576 -17.747
   83    HA   THR  11           HA       THR  11  10.536   8.582 -19.798
   84    HB   THR  11           HB       THR  11  10.829   7.623 -16.950
   85    HG1  THR  11           HG1      THR  11  12.246   9.829 -18.027
   86   HG21  THR  11          HG21      THR  11  12.780   7.730 -19.283
   87   HG22  THR  11          HG22      THR  11  13.156   7.128 -17.653
   88   HG23  THR  11          HG23      THR  11  11.957   6.290 -18.641
   89    H    ILE  12           H        ILE  12  10.194   6.293 -20.154
   90    HA   ILE  12           HA       ILE  12   7.801   5.055 -18.936
   91    HB   ILE  12           HB       ILE  12   8.412   5.188 -21.916
   92   HG12  ILE  12          HG12      ILE  12   6.080   6.300 -20.291
   93   HG13  ILE  12          HG13      ILE  12   7.345   7.242 -21.076
   94   HG21  ILE  12          HG21      ILE  12   7.567   2.942 -21.288
   95   HG22  ILE  12          HG22      ILE  12   6.170   3.688 -20.475
   96   HG23  ILE  12          HG23      ILE  12   6.389   3.805 -22.236
   97   HD11  ILE  12          HD11      ILE  12   5.131   5.673 -22.425
   98   HD12  ILE  12          HD12      ILE  12   5.438   7.411 -22.466
   99   HD13  ILE  12          HD13      ILE  12   6.549   6.308 -23.302
  100    H    ASP  13           H        ASP  13   8.096   2.819 -18.661
  101    HA   ASP  13           HA       ASP  13  10.849   1.762 -19.208
  102    HB2  ASP  13           HB2      ASP  13  10.474   2.309 -16.847
  103    HB3  ASP  13           HB3      ASP  13   9.006   1.328 -16.832
  104    H    GLY  14           H        GLY  14   7.405   1.250 -19.540
  105    HA2  GLY  14           HA2      GLY  14   7.407  -0.764 -21.407
  106    HA3  GLY  14           HA3      GLY  14   7.435  -1.619 -19.844
  107    H    ASN  15           H        ASN  15   5.350  -2.178 -19.366
  108    HA   ASN  15           HA       ASN  15   3.014  -0.540 -19.921
  109    HB2  ASN  15           HB2      ASN  15   3.005  -3.037 -19.741
  110    HB3  ASN  15           HB3      ASN  15   3.403  -2.889 -18.026
  111   HD21  ASN  15          HD22      ASN  15   1.558  -3.419 -16.884
  112   HD22  ASN  15          HD21      ASN  15  -0.029  -2.768 -17.203
  113    H    GLN  16           H        GLN  16   5.365   0.564 -18.236
  114    HA   GLN  16           HA       GLN  16   3.892   1.733 -15.992
  115    HB2  GLN  16           HB2      GLN  16   6.524   0.184 -15.794
  116    HB3  GLN  16           HB3      GLN  16   5.992   1.345 -14.577
  117    HG2  GLN  16           HG2      GLN  16   4.089   0.009 -13.978
  118    HG3  GLN  16           HG3      GLN  16   4.332  -1.088 -15.345
  119   HE21  GLN  16          HE22      GLN  16   6.149   0.173 -12.446
  120   HE22  GLN  16          HE21      GLN  16   6.870  -1.382 -12.070
  121    H    ALA  17           H        ALA  17   4.909   3.714 -15.379
  122    HA   ALA  17           HA       ALA  17   7.109   4.757 -17.047
  123    HB1  ALA  17           HB1      ALA  17   5.134   5.475 -18.258
  124    HB2  ALA  17           HB2      ALA  17   4.329   5.993 -16.748
  125    HB3  ALA  17           HB3      ALA  17   5.736   6.875 -17.355
  126    H    LYS  18           H        LYS  18   7.794   6.935 -16.132
  127    HA   LYS  18           HA       LYS  18   7.638   6.812 -13.141
  128    HB2  LYS  18           HB2      LYS  18  10.111   7.327 -14.831
  129    HB3  LYS  18           HB3      LYS  18  10.007   7.418 -13.065
  130    HG2  LYS  18           HG2      LYS  18   9.294   5.013 -13.013
  131    HG3  LYS  18           HG3      LYS  18   9.529   4.928 -14.769
  132    HD2  LYS  18           HD2      LYS  18  11.928   5.607 -14.418
  133    HD3  LYS  18           HD3      LYS  18  11.677   5.463 -12.674
  134    HE2  LYS  18           HE2      LYS  18  11.313   3.235 -14.742
  135    HE3  LYS  18           HE3      LYS  18  12.724   3.446 -13.705
  136    HZ1  LYS  18           HZ1      LYS  18  11.290   1.808 -12.770
  137    HZ2  LYS  18           HZ2      LYS  18  11.247   3.098 -11.781
  138    HZ3  LYS  18           HZ3      LYS  18   9.975   2.770 -12.780
  139    H    VAL  19           H        VAL  19   5.894   8.310 -13.299
  140    HA   VAL  19           HA       VAL  19   6.195  10.634 -14.946
  141    HB   VAL  19           HB       VAL  19   3.978  11.170 -14.232
  142   HG11  VAL  19          HG11      VAL  19   4.061   8.138 -14.518
  143   HG12  VAL  19          HG12      VAL  19   2.770   9.246 -15.006
  144   HG13  VAL  19          HG13      VAL  19   4.324   9.271 -15.854
  145   HG21  VAL  19          HG21      VAL  19   4.210   9.011 -12.108
  146   HG22  VAL  19          HG22      VAL  19   3.982  10.747 -11.843
  147   HG23  VAL  19          HG23      VAL  19   2.693   9.806 -12.595
  148    H    ASP  20           H        ASP  20   6.681  12.758 -14.263
  149    HA   ASP  20           HA       ASP  20   7.889  13.026 -11.568
  150    HB2  ASP  20           HB2      ASP  20   9.087  14.162 -13.318
  151    HB3  ASP  20           HB3      ASP  20   7.608  14.944 -13.906
  152    H    VAL  21           H        VAL  21   6.643  13.473  -9.899
  153    HA   VAL  21           HA       VAL  21   3.920  14.536 -10.248
  154    HB   VAL  21           HB       VAL  21   5.317  13.616  -7.698
  155   HG11  VAL  21          HG11      VAL  21   2.352  13.781  -8.437
  156   HG12  VAL  21          HG12      VAL  21   3.022  13.229  -6.886
  157   HG13  VAL  21          HG13      VAL  21   3.192  14.916  -7.366
  158   HG21  VAL  21          HG21      VAL  21   3.661  11.981  -9.676
  159   HG22  VAL  21          HG22      VAL  21   5.360  11.707  -9.231
  160   HG23  VAL  21          HG23      VAL  21   4.087  11.450  -8.038
  161    H    CYS  22           H        CYS  22   5.564  16.334 -11.177
  162    HA   CYS  22           HA       CYS  22   6.709  18.269 -11.039
  163    HB2  CYS  22           HB2      CYS  22   4.280  18.917  -9.333
  164    HB3  CYS  22           HB3      CYS  22   5.342  20.112 -10.100
  165    HG   CYS  22           HG       CYS  22   3.115  19.867 -11.473
  166    H    GLY  23           H        GLY  23   8.182  16.695  -9.495
  167    HA2  GLY  23           HA2      GLY  23   9.632  18.482  -7.937
  168    HA3  GLY  23           HA3      GLY  23   8.586  17.622  -6.792
  169    H    ILE  24           H        ILE  24   8.549  15.058  -8.168
  170    HA   ILE  24           HA       ILE  24  11.227  14.184  -8.629
  171    HB   ILE  24           HB       ILE  24  11.235  14.272  -6.139
  172   HG12  ILE  24          HG12      ILE  24  11.950  12.017  -5.598
  173   HG13  ILE  24          HG13      ILE  24  11.240  11.378  -7.074
  174   HG21  ILE  24          HG21      ILE  24   8.839  13.946  -5.698
  175   HG22  ILE  24          HG22      ILE  24   8.959  12.276  -6.289
  176   HG23  ILE  24          HG23      ILE  24   9.811  12.767  -4.808
  177   HD11  ILE  24          HD11      ILE  24  12.868  12.662  -8.430
  178   HD12  ILE  24          HD12      ILE  24  13.501  13.431  -6.953
  179   HD13  ILE  24          HD13      ILE  24  13.706  11.687  -7.215
  180    H    GLN  25           H        GLN  25  11.188  11.912  -9.357
  181    HA   GLN  25           HA       GLN  25   8.724  11.359 -10.822
  182    HB2  GLN  25           HB2      GLN  25  11.448  10.018 -10.828
  183    HB3  GLN  25           HB3      GLN  25  10.061   9.449 -11.768
  184    HG2  GLN  25           HG2      GLN  25   9.902  11.643 -12.910
  185    HG3  GLN  25           HG3      GLN  25  11.303  12.224 -12.012
  186   HE21  GLN  25          HE22      GLN  25  10.210  10.062 -14.611
  187   HE22  GLN  25          HE21      GLN  25  11.776   9.846 -15.348
  188    H    ARG  26           H        ARG  26   7.351   9.671 -10.516
  189    HA   ARG  26           HA       ARG  26   7.974   7.655  -8.391
  190    HB2  ARG  26           HB2      ARG  26   5.431   9.297  -8.720
  191    HB3  ARG  26           HB3      ARG  26   5.314   7.612  -8.245
  192    HG2  ARG  26           HG2      ARG  26   5.301   8.725  -6.217
  193    HG3  ARG  26           HG3      ARG  26   6.924   8.060  -6.358
  194    HD2  ARG  26           HD2      ARG  26   7.618  10.431  -7.194
  195    HD3  ARG  26           HD3      ARG  26   6.022  10.948  -6.682
  196    HE   ARG  26           HE       ARG  26   6.614  10.724  -4.467
  197   HH11  ARG  26          HH11      ARG  26   9.286   9.446  -6.484
  198   HH12  ARG  26          HH12      ARG  26  10.320   9.163  -5.132
  199   HH21  ARG  26          HH21      ARG  26   8.053  10.415  -2.710
  200   HH22  ARG  26          HH22      ARG  26   9.632   9.782  -2.962
  201    H    ASP  27           H        ASP  27   7.522   5.566  -9.021
  202    HA   ASP  27           HA       ASP  27   7.026   5.104 -11.854
  203    HB2  ASP  27           HB2      ASP  27   8.580   3.722 -10.446
  204    HB3  ASP  27           HB3      ASP  27   7.171   3.064  -9.610
  205    H    VAL  28           H        VAL  28   5.082   4.534 -12.768
  206    HA   VAL  28           HA       VAL  28   2.701   4.037 -11.083
  207    HB   VAL  28           HB       VAL  28   3.092   6.266 -13.139
  208   HG11  VAL  28          HG11      VAL  28   0.890   5.254 -13.530
  209   HG12  VAL  28          HG12      VAL  28   0.514   5.367 -11.795
  210   HG13  VAL  28          HG13      VAL  28   0.712   6.836 -12.778
  211   HG21  VAL  28          HG21      VAL  28   2.316   6.297 -10.183
  212   HG22  VAL  28          HG22      VAL  28   3.816   6.922 -10.890
  213   HG23  VAL  28          HG23      VAL  28   2.288   7.714 -11.253
  214    H    ASP  29           H        ASP  29   1.467   2.488 -11.952
  215    HA   ASP  29           HA       ASP  29   2.258   1.067 -14.373
  216    HB2  ASP  29           HB2      ASP  29   1.440  -0.046 -12.308
  217    HB3  ASP  29           HB3      ASP  29  -0.107   0.781 -12.483
  218    H    LEU  30           H        LEU  30   1.177   1.038 -16.331
  219    HA   LEU  30           HA       LEU  30  -0.774   3.265 -16.742
  220    HB2  LEU  30           HB2      LEU  30   1.300   2.123 -18.653
  221    HB3  LEU  30           HB3      LEU  30   0.120   3.357 -19.047
  222    HG   LEU  30           HG       LEU  30   2.504   3.636 -17.202
  223   HD11  LEU  30          HD11      LEU  30   2.941   3.913 -19.586
  224   HD12  LEU  30          HD12      LEU  30   1.564   5.034 -19.749
  225   HD13  LEU  30          HD13      LEU  30   2.983   5.512 -18.823
  226   HD21  LEU  30          HD21      LEU  30   0.213   5.614 -17.585
  227   HD22  LEU  30          HD22      LEU  30   0.717   4.834 -16.063
  228   HD23  LEU  30          HD23      LEU  30   1.779   6.000 -16.839
  229    H    THR  31           H        THR  31  -1.190   0.084 -16.302
  230    HA   THR  31           HA       THR  31  -2.114  -0.988 -18.693
  231    HB   THR  31           HB       THR  31  -3.391  -1.454 -15.965
  232    HG1  THR  31           HG1      THR  31  -1.276  -1.651 -15.645
  233   HG21  THR  31          HG21      THR  31  -2.989  -3.295 -18.370
  234   HG22  THR  31          HG22      THR  31  -3.605  -3.801 -16.780
  235   HG23  THR  31          HG23      THR  31  -4.540  -2.674 -17.766
  236    H    LEU  32           H        LEU  32  -3.826   1.313 -16.584
  237    HA   LEU  32           HA       LEU  32  -6.415   0.918 -17.797
  238    HB2  LEU  32           HB2      LEU  32  -5.350   3.227 -16.143
  239    HB3  LEU  32           HB3      LEU  32  -7.044   2.943 -16.511
  240    HG   LEU  32           HG       LEU  32  -5.266   1.148 -14.802
  241   HD11  LEU  32          HD11      LEU  32  -7.585   2.974 -14.046
  242   HD12  LEU  32          HD12      LEU  32  -6.689   1.903 -12.944
  243   HD13  LEU  32          HD13      LEU  32  -5.866   3.267 -13.712
  244   HD21  LEU  32          HD21      LEU  32  -7.377  -0.051 -14.242
  245   HD22  LEU  32          HD22      LEU  32  -8.230   0.892 -15.483
  246   HD23  LEU  32          HD23      LEU  32  -6.935  -0.239 -15.938
  247    H    VAL  33           H        VAL  33  -3.642   2.609 -18.972
  248    HA   VAL  33           HA       VAL  33  -5.345   4.259 -20.789
  249    HB   VAL  33           HB       VAL  33  -3.712   6.088 -20.524
  250   HG11  VAL  33          HG11      VAL  33  -4.511   6.927 -18.384
  251   HG12  VAL  33          HG12      VAL  33  -5.827   6.081 -19.216
  252   HG13  VAL  33          HG13      VAL  33  -4.979   5.301 -17.863
  253   HG21  VAL  33          HG21      VAL  33  -2.589   4.534 -18.151
  254   HG22  VAL  33          HG22      VAL  33  -1.746   4.824 -19.688
  255   HG23  VAL  33          HG23      VAL  33  -2.163   6.182 -18.644
  256    H    GLY  34           H        GLY  34  -2.576   2.176 -20.459
  257    HA2  GLY  34           HA2      GLY  34  -1.271   1.179 -22.046
  258    HA3  GLY  34           HA3      GLY  34  -2.048   2.111 -23.334
  259    H    SER  35           H        SER  35   0.882   1.646 -22.633
  260    HA   SER  35           HA       SER  35   1.930   4.185 -21.799
  261    HB2  SER  35           HB2      SER  35   3.356   1.930 -23.253
  262    HB3  SER  35           HB3      SER  35   4.070   3.181 -22.215
  263    HG   SER  35           HG       SER  35   3.853   1.389 -20.978
  264    H    CYS  36           H        CYS  36   0.429   3.431 -24.692
  265    HA   CYS  36           HA       CYS  36   1.891   5.571 -26.124
  266    HB2  CYS  36           HB2      CYS  36   0.940   2.936 -27.330
  267    HB3  CYS  36           HB3      CYS  36   1.594   4.312 -28.228
  268    HG   CYS  36           HG       CYS  36   3.392   2.417 -28.109
  269    H    ASP  37           H        ASP  37   0.671   6.709 -27.543
  270    HA   ASP  37           HA       ASP  37  -2.152   7.188 -27.082
  271    HB2  ASP  37           HB2      ASP  37  -0.714   9.019 -27.678
  272    HB3  ASP  37           HB3      ASP  37   0.010   8.102 -28.998
  273    H    GLU  38           H        GLU  38  -3.674   7.131 -29.004
  274    HA   GLU  38           HA       GLU  38  -4.151   4.539 -29.926
  275    HB2  GLU  38           HB2      GLU  38  -5.726   6.543 -29.726
  276    HB3  GLU  38           HB3      GLU  38  -5.008   7.168 -31.211
  277    HG2  GLU  38           HG2      GLU  38  -7.080   6.091 -31.762
  278    HG3  GLU  38           HG3      GLU  38  -5.782   5.111 -32.421
  279    H    ASN  39           H        ASN  39  -2.313   7.206 -31.494
  280    HA   ASN  39           HA       ASN  39  -2.043   5.710 -34.001
  281    HB2  ASN  39           HB2      ASN  39  -2.418   8.197 -33.849
  282    HB3  ASN  39           HB3      ASN  39  -0.821   8.345 -33.120
  283   HD21  ASN  39          HD22      ASN  39   0.071   9.591 -34.775
  284   HD22  ASN  39          HD21      ASN  39   0.350   8.988 -36.390
  285    H    GLY  40           H        GLY  40  -0.671   5.057 -31.150
  286    HA2  GLY  40           HA2      GLY  40   1.039   3.612 -30.724
  287    HA3  GLY  40           HA3      GLY  40   1.635   3.790 -32.380
  288    H    GLN  41           H        GLN  41   1.231   6.864 -30.956
  289    HA   GLN  41           HA       GLN  41   4.081   7.356 -30.840
  290    HB2  GLN  41           HB2      GLN  41   1.829   9.089 -29.730
  291    HB3  GLN  41           HB3      GLN  41   3.454   9.599 -30.153
  292    HG2  GLN  41           HG2      GLN  41   2.997   9.226 -32.537
  293    HG3  GLN  41           HG3      GLN  41   1.399   8.572 -32.173
  294   HE21  GLN  41          HE22      GLN  41  -0.323  10.020 -31.347
  295   HE22  GLN  41          HE21      GLN  41  -0.162  11.738 -31.625
  296    HA   PRO  42           HA       PRO  42   4.234   5.947 -26.501
  297    HB2  PRO  42           HB2      PRO  42   6.686   6.903 -25.733
  298    HB3  PRO  42           HB3      PRO  42   6.477   5.468 -26.777
  299    HG2  PRO  42           HG2      PRO  42   7.085   8.314 -27.623
  300    HG3  PRO  42           HG3      PRO  42   7.869   6.801 -28.175
  301    HD2  PRO  42           HD2      PRO  42   5.885   8.039 -29.599
  302    HD3  PRO  42           HD3      PRO  42   6.045   6.256 -29.566
  303    H    ARG  43           H        ARG  43   3.550   6.953 -24.568
  304    HA   ARG  43           HA       ARG  43   2.508   9.587 -24.934
  305    HB2  ARG  43           HB2      ARG  43   2.528   7.773 -22.485
  306    HB3  ARG  43           HB3      ARG  43   1.649   9.299 -22.596
  307    HG2  ARG  43           HG2      ARG  43   0.432   8.371 -24.627
  308    HG3  ARG  43           HG3      ARG  43   1.098   6.801 -24.184
  309    HD2  ARG  43           HD2      ARG  43   0.139   7.069 -21.884
  310    HD3  ARG  43           HD3      ARG  43  -0.609   8.588 -22.385
  311    HE   ARG  43           HE       ARG  43  -1.447   5.870 -22.934
  312   HH11  ARG  43          HH11      ARG  43  -1.719   9.225 -24.156
  313   HH12  ARG  43          HH12      ARG  43  -3.226   8.940 -24.957
  314   HH21  ARG  43          HH21      ARG  43  -3.480   5.556 -23.867
  315   HH22  ARG  43          HH22      ARG  43  -4.252   6.789 -24.810
  316    H    VAL  44           H        VAL  44   5.624   9.386 -24.631
  317    HA   VAL  44           HA       VAL  44   6.352  10.629 -22.180
  318    HB   VAL  44           HB       VAL  44   7.702  10.813 -24.907
  319   HG11  VAL  44          HG11      VAL  44   8.797  11.320 -22.097
  320   HG12  VAL  44          HG12      VAL  44   9.765  11.272 -23.588
  321   HG13  VAL  44          HG13      VAL  44   8.561  12.542 -23.365
  322   HG21  VAL  44          HG21      VAL  44   7.486   8.461 -24.174
  323   HG22  VAL  44          HG22      VAL  44   9.160   8.993 -24.058
  324   HG23  VAL  44          HG23      VAL  44   8.170   8.881 -22.588
  325    H    GLY  45           H        GLY  45   6.120  12.659 -21.466
  326    HA2  GLY  45           HA2      GLY  45   5.979  14.979 -21.561
  327    HA3  GLY  45           HA3      GLY  45   5.611  14.919 -23.287
  328    H    GLN  46           H        GLN  46   3.446  12.697 -22.396
  329    HA   GLN  46           HA       GLN  46   1.247  14.613 -22.085
  330    HB2  GLN  46           HB2      GLN  46   1.255  11.566 -22.023
  331    HB3  GLN  46           HB3      GLN  46  -0.174  12.596 -22.053
  332    HG2  GLN  46           HG2      GLN  46   0.475  13.495 -24.261
  333    HG3  GLN  46           HG3      GLN  46   1.935  12.505 -24.253
  334   HE21  GLN  46          HE22      GLN  46   0.995  11.774 -26.380
  335   HE22  GLN  46          HE21      GLN  46  -0.138  10.448 -26.343
  336    H    TRP  47           H        TRP  47  -0.397  14.070 -20.252
  337    HA   TRP  47           HA       TRP  47   1.074  13.677 -17.682
  338    HB2  TRP  47           HB2      TRP  47  -1.193  15.576 -18.379
  339    HB3  TRP  47           HB3      TRP  47  -0.600  15.277 -16.753
  340    HD1  TRP  47           HD1      TRP  47   0.712  16.679 -20.109
  341    HE1  TRP  47           HE1      TRP  47   2.412  18.519 -19.629
  342    HE3  TRP  47           HE3      TRP  47   0.898  16.273 -15.017
  343    HZ2  TRP  47           HZ2      TRP  47   3.639  19.751 -17.296
  344    HZ3  TRP  47           HZ3      TRP  47   2.319  17.800 -13.686
  345    HH2  TRP  47           HH2      TRP  47   3.688  19.546 -14.809
  346    H    VAL  48           H        VAL  48  -0.214  12.747 -15.970
  347    HA   VAL  48           HA       VAL  48  -2.787  11.532 -16.752
  348    HB   VAL  48           HB       VAL  48  -1.967   9.388 -15.603
  349   HG11  VAL  48          HG11      VAL  48  -0.977   8.438 -17.675
  350   HG12  VAL  48          HG12      VAL  48  -2.458   9.353 -17.948
  351   HG13  VAL  48          HG13      VAL  48  -0.883  10.073 -18.357
  352   HG21  VAL  48          HG21      VAL  48   0.189  10.253 -14.703
  353   HG22  VAL  48          HG22      VAL  48   0.390   8.813 -15.709
  354   HG23  VAL  48          HG23      VAL  48   0.805  10.407 -16.364
  355    H    LEU  49           H        LEU  49  -4.136  11.150 -15.036
  356    HA   LEU  49           HA       LEU  49  -3.577  12.470 -12.443
  357    HB2  LEU  49           HB2      LEU  49  -5.846  10.733 -13.529
  358    HB3  LEU  49           HB3      LEU  49  -5.780  11.247 -11.848
  359    HG   LEU  49           HG       LEU  49  -5.938  13.144 -14.213
  360   HD11  LEU  49          HD11      LEU  49  -7.959  11.740 -13.993
  361   HD12  LEU  49          HD12      LEU  49  -8.118  12.224 -12.293
  362   HD13  LEU  49          HD13      LEU  49  -8.294  13.430 -13.588
  363   HD21  LEU  49          HD21      LEU  49  -4.939  14.215 -12.208
  364   HD22  LEU  49          HD22      LEU  49  -6.562  14.835 -12.501
  365   HD23  LEU  49          HD23      LEU  49  -6.291  13.639 -11.215
  366    H    VAL  50           H        VAL  50  -3.175  11.182 -10.490
  367    HA   VAL  50           HA       VAL  50  -2.858   8.267 -10.897
  368    HB   VAL  50           HB       VAL  50  -0.855   9.927  -9.321
  369   HG11  VAL  50          HG11      VAL  50  -0.758   7.073 -10.380
  370   HG12  VAL  50          HG12      VAL  50   0.538   7.905  -9.497
  371   HG13  VAL  50          HG13      VAL  50  -0.980   7.566  -8.680
  372   HG21  VAL  50          HG21      VAL  50  -0.544  10.630 -11.650
  373   HG22  VAL  50          HG22      VAL  50   0.767   9.566 -11.169
  374   HG23  VAL  50          HG23      VAL  50  -0.549   8.935 -12.190
  375    H    HIS  51           H        HIS  51  -3.258   7.109  -8.932
  376    HA   HIS  51           HA       HIS  51  -4.467   8.668  -6.686
  377    HB2  HIS  51           HB2      HIS  51  -5.652   6.242  -8.092
  378    HB3  HIS  51           HB3      HIS  51  -6.153   6.804  -6.503
  379    HD1  HIS  51           HD1      HIS  51  -5.721   9.902  -8.403
  380    HD2  HIS  51           HD2      HIS  51  -8.533   6.776  -8.181
  381    HE1  HIS  51           HE1      HIS  51  -7.914  10.840  -9.312
  382    H    VAL  52           H        VAL  52  -3.605   5.283  -7.602
  383    HA   VAL  52           HA       VAL  52  -2.116   5.010  -5.040
  384    HB   VAL  52           HB       VAL  52  -3.271   2.805  -4.761
  385   HG11  VAL  52          HG11      VAL  52  -5.170   5.182  -4.701
  386   HG12  VAL  52          HG12      VAL  52  -5.271   3.692  -3.746
  387   HG13  VAL  52          HG13      VAL  52  -3.933   4.819  -3.479
  388   HG21  VAL  52          HG21      VAL  52  -5.388   2.349  -5.863
  389   HG22  VAL  52          HG22      VAL  52  -5.289   3.838  -6.815
  390   HG23  VAL  52          HG23      VAL  52  -4.139   2.513  -7.100
  391    H    GLY  53           H        GLY  53  -0.866   5.491  -7.471
  392    HA2  GLY  53           HA2      GLY  53   1.083   4.657  -8.419
  393    HA3  GLY  53           HA3      GLY  53   0.754   3.063  -7.738
  394    H    PHE  54           H        PHE  54  -1.890   4.473  -9.515
  395    HA   PHE  54           HA       PHE  54  -1.143   3.103 -12.042
  396    HB2  PHE  54           HB2      PHE  54  -3.816   3.003 -10.577
  397    HB3  PHE  54           HB3      PHE  54  -3.618   2.611 -12.273
  398    HD1  PHE  54           HD1      PHE  54  -2.591   1.549  -8.828
  399    HD2  PHE  54           HD2      PHE  54  -2.897   0.455 -12.992
  400    HE1  PHE  54           HE1      PHE  54  -2.052  -0.802  -8.254
  401    HE2  PHE  54           HE2      PHE  54  -2.367  -1.892 -12.412
  402    HZ   PHE  54           HZ       PHE  54  -1.938  -2.531 -10.043
  403    H    ALA  55           H        ALA  55  -1.545   4.380 -13.800
  404    HA   ALA  55           HA       ALA  55  -2.302   7.161 -13.469
  405    HB1  ALA  55           HB1      ALA  55  -1.868   5.375 -15.900
  406    HB2  ALA  55           HB2      ALA  55  -2.272   7.096 -16.002
  407    HB3  ALA  55           HB3      ALA  55  -0.754   6.593 -15.225
  408    H    MET  56           H        MET  56  -4.408   7.703 -13.055
  409    HA   MET  56           HA       MET  56  -6.542   5.790 -13.443
  410    HB2  MET  56           HB2      MET  56  -6.429   7.424 -11.550
  411    HB3  MET  56           HB3      MET  56  -6.696   8.743 -12.695
  412    HG2  MET  56           HG2      MET  56  -8.776   8.187 -11.617
  413    HG3  MET  56           HG3      MET  56  -8.885   7.749 -13.317
  414    HE1  MET  56           HE1      MET  56 -11.196   5.125 -11.535
  415    HE2  MET  56           HE2      MET  56 -10.946   6.823 -11.075
  416    HE3  MET  56           HE3      MET  56 -11.082   6.377 -12.792
  417    H    SER  57           H        SER  57  -5.693   8.935 -15.014
  418    HA   SER  57           HA       SER  57  -7.043   8.150 -17.504
  419    HB2  SER  57           HB2      SER  57  -7.737  10.752 -16.070
  420    HB3  SER  57           HB3      SER  57  -8.439  10.132 -17.568
  421    HG   SER  57           HG       SER  57  -9.826   9.802 -15.798
  422    H    VAL  58           H        VAL  58  -6.270   9.473 -19.278
  423    HA   VAL  58           HA       VAL  58  -3.726  10.876 -18.824
  424    HB   VAL  58           HB       VAL  58  -5.321  10.549 -21.400
  425   HG11  VAL  58          HG11      VAL  58  -3.543  12.284 -21.500
  426   HG12  VAL  58          HG12      VAL  58  -2.352  11.097 -20.928
  427   HG13  VAL  58          HG13      VAL  58  -3.139  10.893 -22.506
  428   HG21  VAL  58          HG21      VAL  58  -3.788   8.663 -21.927
  429   HG22  VAL  58          HG22      VAL  58  -3.141   8.731 -20.275
  430   HG23  VAL  58          HG23      VAL  58  -4.842   8.296 -20.575
  431    H    ILE  59           H        ILE  59  -3.470  13.096 -19.039
  432    HA   ILE  59           HA       ILE  59  -5.775  14.836 -19.566
  433    HB   ILE  59           HB       ILE  59  -5.477  16.159 -17.587
  434   HG12  ILE  59          HG12      ILE  59  -3.353  14.172 -16.683
  435   HG13  ILE  59          HG13      ILE  59  -3.101  15.858 -17.159
  436   HG21  ILE  59          HG21      ILE  59  -5.841  13.292 -16.667
  437   HG22  ILE  59          HG22      ILE  59  -6.525  14.769 -15.954
  438   HG23  ILE  59          HG23      ILE  59  -7.068  14.239 -17.540
  439   HD11  ILE  59          HD11      ILE  59  -4.534  14.877 -14.686
  440   HD12  ILE  59          HD12      ILE  59  -3.039  15.808 -14.807
  441   HD13  ILE  59          HD13      ILE  59  -4.582  16.564 -15.250
  442    H    ASN  60           H        ASN  60  -4.508  17.277 -19.020
  443    HA   ASN  60           HA       ASN  60  -2.017  17.226 -20.629
  444    HB2  ASN  60           HB2      ASN  60  -2.714  18.918 -22.035
  445    HB3  ASN  60           HB3      ASN  60  -4.150  17.918 -21.957
  446   HD21  ASN  60          HD22      ASN  60  -3.797  20.880 -22.552
  447   HD22  ASN  60          HD21      ASN  60  -4.866  21.673 -21.431
  448    H    GLU  61           H        GLU  61  -1.160  19.700 -20.511
  449    HA   GLU  61           HA       GLU  61  -0.122  20.067 -17.937
  450    HB2  GLU  61           HB2      GLU  61  -0.484  21.942 -20.317
  451    HB3  GLU  61           HB3      GLU  61   0.287  22.463 -18.826
  452    HG2  GLU  61           HG2      GLU  61   2.009  20.724 -19.058
  453    HG3  GLU  61           HG3      GLU  61   1.267  20.181 -20.573
  454    H    ALA  62           H        ALA  62  -2.950  21.632 -19.480
  455    HA   ALA  62           HA       ALA  62  -3.261  23.636 -17.463
  456    HB1  ALA  62           HB1      ALA  62  -5.438  24.067 -18.510
  457    HB2  ALA  62           HB2      ALA  62  -4.189  23.857 -19.752
  458    HB3  ALA  62           HB3      ALA  62  -5.347  22.543 -19.410
  459    H    GLU  63           H        GLU  63  -4.988  20.517 -18.024
  460    HA   GLU  63           HA       GLU  63  -6.637  20.710 -15.685
  461    HB2  GLU  63           HB2      GLU  63  -5.683  18.376 -17.387
  462    HB3  GLU  63           HB3      GLU  63  -6.816  18.176 -16.050
  463    HG2  GLU  63           HG2      GLU  63  -7.303  19.941 -18.492
  464    HG3  GLU  63           HG3      GLU  63  -7.912  18.306 -18.284
  465    H    ALA  64           H        ALA  64  -3.357  19.317 -16.248
  466    HA   ALA  64           HA       ALA  64  -3.169  18.049 -13.718
  467    HB1  ALA  64           HB1      ALA  64  -0.942  19.201 -15.462
  468    HB2  ALA  64           HB2      ALA  64  -0.746  18.043 -14.132
  469    HB3  ALA  64           HB3      ALA  64  -1.628  17.570 -15.600
  470    H    ARG  65           H        ARG  65  -2.019  21.308 -14.783
  471    HA   ARG  65           HA       ARG  65  -1.047  21.995 -12.163
  472    HB2  ARG  65           HB2      ARG  65  -1.752  23.717 -14.577
  473    HB3  ARG  65           HB3      ARG  65  -1.036  24.350 -13.084
  474    HG2  ARG  65           HG2      ARG  65   0.904  22.823 -13.337
  475    HG3  ARG  65           HG3      ARG  65   0.218  22.192 -14.839
  476    HD2  ARG  65           HD2      ARG  65   0.281  24.536 -15.767
  477    HD3  ARG  65           HD3      ARG  65   1.164  25.038 -14.318
  478    HE   ARG  65           HE       ARG  65   2.878  23.302 -14.917
  479   HH11  ARG  65          HH11      ARG  65   1.006  24.879 -17.533
  480   HH12  ARG  65          HH12      ARG  65   2.019  24.162 -18.776
  481   HH21  ARG  65          HH21      ARG  65   4.216  22.522 -16.684
  482   HH22  ARG  65          HH22      ARG  65   3.722  22.910 -18.320
  483    H    ASP  66           H        ASP  66  -4.241  22.521 -13.758
  484    HA   ASP  66           HA       ASP  66  -5.338  24.124 -11.679
  485    HB2  ASP  66           HB2      ASP  66  -6.453  23.855 -13.829
  486    HB3  ASP  66           HB3      ASP  66  -6.675  22.125 -13.541
  487    H    THR  67           H        THR  67  -5.222  20.539 -12.071
  488    HA   THR  67           HA       THR  67  -6.674  19.949  -9.692
  489    HB   THR  67           HB       THR  67  -4.543  18.292 -11.112
  490    HG1  THR  67           HG1      THR  67  -6.095  18.802 -12.569
  491   HG21  THR  67          HG21      THR  67  -6.858  17.455  -9.307
  492   HG22  THR  67          HG22      THR  67  -5.820  16.347 -10.232
  493   HG23  THR  67          HG23      THR  67  -5.128  17.322  -8.928
  494    H    LEU  68           H        LEU  68  -3.121  20.301 -10.289
  495    HA   LEU  68           HA       LEU  68  -2.344  19.661  -7.614
  496    HB2  LEU  68           HB2      LEU  68  -1.024  21.290  -9.821
  497    HB3  LEU  68           HB3      LEU  68  -0.234  20.999  -8.277
  498    HG   LEU  68           HG       LEU  68  -1.220  18.730 -10.038
  499   HD11  LEU  68          HD11      LEU  68   1.556  19.978  -9.944
  500   HD12  LEU  68          HD12      LEU  68   1.109  18.490 -10.815
  501   HD13  LEU  68          HD13      LEU  68   0.418  20.040 -11.310
  502   HD21  LEU  68          HD21      LEU  68   0.808  18.808  -7.761
  503   HD22  LEU  68          HD22      LEU  68  -0.813  18.086  -7.692
  504   HD23  LEU  68          HD23      LEU  68   0.418  17.388  -8.751
  505    H    ASP  69           H        ASP  69  -3.203  22.794  -9.151
  506    HA   ASP  69           HA       ASP  69  -2.551  24.423  -6.888
  507    HB2  ASP  69           HB2      ASP  69  -2.864  25.379  -9.100
  508    HB3  ASP  69           HB3      ASP  69  -4.546  24.839  -9.141
  509    H    ALA  70           H        ALA  70  -5.677  22.936  -7.959
  510    HA   ALA  70           HA       ALA  70  -7.193  23.937  -5.785
  511    HB1  ALA  70           HB1      ALA  70  -7.608  21.399  -7.427
  512    HB2  ALA  70           HB2      ALA  70  -8.824  22.197  -6.405
  513    HB3  ALA  70           HB3      ALA  70  -8.196  23.029  -7.842
  514    H    LEU  71           H        LEU  71  -5.265  20.921  -6.098
  515    HA   LEU  71           HA       LEU  71  -6.095  19.808  -3.603
  516    HB2  LEU  71           HB2      LEU  71  -5.064  18.521  -5.418
  517    HB3  LEU  71           HB3      LEU  71  -3.545  19.374  -5.225
  518    HG   LEU  71           HG       LEU  71  -3.696  17.040  -4.303
  519   HD11  LEU  71          HD11      LEU  71  -1.934  18.661  -3.567
  520   HD12  LEU  71          HD12      LEU  71  -2.918  19.005  -2.124
  521   HD13  LEU  71          HD13      LEU  71  -2.308  17.374  -2.414
  522   HD21  LEU  71          HD21      LEU  71  -5.958  17.182  -3.310
  523   HD22  LEU  71          HD22      LEU  71  -4.738  16.582  -2.178
  524   HD23  LEU  71          HD23      LEU  71  -5.323  18.249  -2.036
  525    H    GLN  72           H        GLN  72  -3.063  21.650  -4.467
  526    HA   GLN  72           HA       GLN  72  -2.177  21.581  -1.764
  527    HB2  GLN  72           HB2      GLN  72  -0.373  22.948  -2.400
  528    HB3  GLN  72           HB3      GLN  72  -0.723  21.888  -3.762
  529    HG2  GLN  72           HG2      GLN  72  -2.069  23.883  -4.730
  530    HG3  GLN  72           HG3      GLN  72  -1.304  24.867  -3.483
  531   HE21  GLN  72          HE22      GLN  72  -0.650  22.660  -6.215
  532   HE22  GLN  72          HE21      GLN  72   0.904  23.358  -6.667
  533    H    ASN  73           H        ASN  73  -4.315  23.866  -3.427
  534    HA   ASN  73           HA       ASN  73  -4.265  26.035  -1.681
  535    HB2  ASN  73           HB2      ASN  73  -5.561  25.959  -3.781
  536    HB3  ASN  73           HB3      ASN  73  -6.670  24.781  -3.070
  537   HD21  ASN  73          HD22      ASN  73  -5.520  28.161  -2.880
  538   HD22  ASN  73          HD21      ASN  73  -6.925  28.772  -2.048
  539    H    MET  74           H        MET  74  -5.654  22.820  -1.076
  540    HA   MET  74           HA       MET  74  -7.327  23.557   1.118
  541    HB2  MET  74           HB2      MET  74  -5.971  20.894   0.529
  542    HB3  MET  74           HB3      MET  74  -7.324  21.145   1.628
  543    HG2  MET  74           HG2      MET  74  -7.362  21.568  -1.380
  544    HG3  MET  74           HG3      MET  74  -8.063  20.214  -0.507
  545    HE1  MET  74           HE1      MET  74 -11.140  22.178  -1.989
  546    HE2  MET  74           HE2      MET  74  -9.521  22.061  -2.713
  547    HE3  MET  74           HE3      MET  74 -10.262  20.633  -1.953
  548    H    PHE  75           H        PHE  75  -3.889  23.531   0.939
  549    HA   PHE  75           HA       PHE  75  -3.641  23.352   3.916
  550    HB2  PHE  75           HB2      PHE  75  -1.659  22.270   1.884
  551    HB3  PHE  75           HB3      PHE  75  -1.615  22.081   3.628
  552    HD1  PHE  75           HD2      PHE  75  -3.438  20.647   4.760
  553    HD2  PHE  75           HD1      PHE  75  -2.830  20.719   0.488
  554    HE1  PHE  75           HE2      PHE  75  -4.687  18.512   4.541
  555    HE2  PHE  75           HE1      PHE  75  -4.074  18.587   0.275
  556    HZ   PHE  75           HZ       PHE  75  -5.007  17.477   2.300
  557    H    ASP  76           H        ASP  76  -2.281  24.587   0.841
  558    HA   ASP  76           HA       ASP  76  -0.099  26.007   1.794
  559    HB2  ASP  76           HB2      ASP  76  -0.540  25.479  -0.559
  560    HB3  ASP  76           HB3      ASP  76  -1.917  26.583  -0.572
  561    H    VAL  77           H        VAL  77  -3.473  26.911   2.015
  562    HA   VAL  77           HA       VAL  77  -3.299  29.683   2.414
  563    HB   VAL  77           HB       VAL  77  -5.327  29.249   3.950
  564   HG11  VAL  77          HG11      VAL  77  -6.782  28.763   2.008
  565   HG12  VAL  77          HG12      VAL  77  -5.511  29.919   1.584
  566   HG13  VAL  77          HG13      VAL  77  -5.373  28.225   1.071
  567   HG21  VAL  77          HG21      VAL  77  -4.835  26.885   4.549
  568   HG22  VAL  77          HG22      VAL  77  -6.431  27.102   3.828
  569   HG23  VAL  77          HG23      VAL  77  -5.125  26.404   2.863
  570    H    GLU  78           H        GLU  78  -2.319  27.077   4.594
  571    HA   GLU  78           HA       GLU  78  -2.368  28.771   6.942
  572    HB2  GLU  78           HB2      GLU  78  -1.205  26.005   6.484
  573    HB3  GLU  78           HB3      GLU  78  -1.224  26.855   8.037
  574    HG2  GLU  78           HG2      GLU  78  -3.728  27.059   7.838
  575    HG3  GLU  78           HG3      GLU  78  -3.669  26.093   6.370
  576    HA   PRO  79           HA       PRO  79   2.331  29.172   6.466
  577    HB2  PRO  79           HB2      PRO  79   3.576  28.585   4.068
  578    HB3  PRO  79           HB3      PRO  79   3.465  27.463   5.458
  579    HG2  PRO  79           HG2      PRO  79   1.694  27.586   3.009
  580    HG3  PRO  79           HG3      PRO  79   2.426  26.142   3.777
  581    HD2  PRO  79           HD2      PRO  79  -0.140  26.832   4.264
  582    HD3  PRO  79           HD3      PRO  79   0.892  26.200   5.572
  583    H    ASP  80           H        ASP  80   0.180  29.700   3.676
  584    HA   ASP  80           HA       ASP  80   1.436  32.106   2.754
  585    HB2  ASP  80           HB2      ASP  80  -0.176  30.952   1.362
  586    HB3  ASP  80           HB3      ASP  80  -1.455  31.205   2.556
  587    H    VAL  81           H        VAL  81  -1.406  31.672   5.022
  588    HA   VAL  81           HA       VAL  81  -1.462  34.481   5.558
  589    HB   VAL  81           HB       VAL  81  -3.380  32.895   5.803
  590   HG11  VAL  81          HG11      VAL  81  -2.320  31.120   7.168
  591   HG12  VAL  81          HG12      VAL  81  -2.187  32.244   8.534
  592   HG13  VAL  81          HG13      VAL  81  -3.781  31.762   7.917
  593   HG21  VAL  81          HG21      VAL  81  -4.411  34.139   7.635
  594   HG22  VAL  81          HG22      VAL  81  -2.819  34.709   8.179
  595   HG23  VAL  81          HG23      VAL  81  -3.459  35.213   6.600
  596    H    GLY  82           H        GLY  82   0.307  31.768   7.044
  597    HA2  GLY  82           HA2      GLY  82   1.316  33.079   9.336
  598    HA3  GLY  82           HA3      GLY  82   2.118  31.779   8.432
  599    H    ALA  83           H        ALA  83   2.725  32.863   5.997
  600    HA   ALA  83           HA       ALA  83   4.962  34.534   6.543
  601    HB1  ALA  83           HB1      ALA  83   4.856  32.992   4.622
  602    HB2  ALA  83           HB2      ALA  83   3.538  33.949   3.905
  603    HB3  ALA  83           HB3      ALA  83   5.158  34.654   4.079
  604    H    LEU  84           H        LEU  84   1.705  35.282   5.206
  605    HA   LEU  84           HA       LEU  84   2.088  38.017   4.652
  606    HB2  LEU  84           HB2      LEU  84   0.117  36.832   3.920
  607    HB3  LEU  84           HB3      LEU  84  -0.322  36.413   5.571
  608    HG   LEU  84           HG       LEU  84  -0.889  38.734   6.092
  609   HD11  LEU  84          HD11      LEU  84  -1.062  40.404   4.220
  610   HD12  LEU  84          HD12      LEU  84   0.590  40.014   4.673
  611   HD13  LEU  84          HD13      LEU  84  -0.113  39.303   3.196
  612   HD21  LEU  84          HD21      LEU  84  -2.895  38.883   4.687
  613   HD22  LEU  84          HD22      LEU  84  -2.195  37.727   3.531
  614   HD23  LEU  84          HD23      LEU  84  -2.597  37.212   5.182
  615    H    LEU  85           H        LEU  85   0.981  36.460   7.734
  616    HA   LEU  85           HA       LEU  85   0.774  38.910   9.181
  617    HB2  LEU  85           HB2      LEU  85  -0.351  36.870   9.900
  618    HB3  LEU  85           HB3      LEU  85   1.187  36.024  10.068
  619    HG   LEU  85           HG       LEU  85   1.837  37.533  11.934
  620   HD11  LEU  85          HD11      LEU  85  -0.965  38.697  11.605
  621   HD12  LEU  85          HD12      LEU  85   0.118  38.990  12.984
  622   HD13  LEU  85          HD13      LEU  85   0.570  39.566  11.380
  623   HD21  LEU  85          HD21      LEU  85   0.283  36.616  13.590
  624   HD22  LEU  85          HD22      LEU  85  -0.870  36.192  12.300
  625   HD23  LEU  85          HD23      LEU  85   0.718  35.397  12.385
  626    H    TYR  86           H        TYR  86   3.363  36.387   9.209
  627    HA   TYR  86           HA       TYR  86   4.925  37.728  11.135
  628    HB2  TYR  86           HB2      TYR  86   4.954  35.287  10.547
  629    HB3  TYR  86           HB3      TYR  86   5.828  35.680   9.071
  630    HD1  TYR  86           HD2      TYR  86   5.962  35.888  12.809
  631    HD2  TYR  86           HD1      TYR  86   8.230  35.937   9.135
  632    HE1  TYR  86           HE2      TYR  86   8.057  35.787  14.113
  633    HE2  TYR  86           HE1      TYR  86  10.338  35.831  10.432
  634    HH   TYR  86           HH       TYR  86  10.389  35.719  14.029
  635    H    GLY  87           H        GLY  87   5.006  37.903   7.570
  636    HA2  GLY  87           HA2      GLY  87   7.495  39.467   7.571
  637    HA3  GLY  87           HA3      GLY  87   6.602  38.824   6.188
  638    H    GLU  88           H        GLU  88   4.296  40.328   8.100
  639    HA   GLU  88           HA       GLU  88   2.916  42.001   7.601
  640    HB2  GLU  88           HB2      GLU  88   4.717  43.170   8.926
  641    HB3  GLU  88           HB3      GLU  88   5.408  43.737   7.412
  642    HG2  GLU  88           HG2      GLU  88   4.067  45.491   8.369
  643    HG3  GLU  88           HG3      GLU  88   3.258  44.937   6.913
  644    H    GLU  89           H        GLU  89   2.953  40.471   5.696
  645    HA   GLU  89           HA       GLU  89   2.575  39.968   3.576
  646    HB2  GLU  89           HB2      GLU  89   1.360  42.139   3.411
  647    HB3  GLU  89           HB3      GLU  89   2.844  42.893   2.805
  648    HG2  GLU  89           HG2      GLU  89   2.887  41.275   0.914
  649    HG3  GLU  89           HG3      GLU  89   1.397  40.544   1.512
  650    H    LYS  90           H        LYS  90   5.200  42.475   3.589
  651    HA   LYS  90           HA       LYS  90   7.127  40.614   2.510
  652    HB2  LYS  90           HB2      LYS  90   7.409  41.668   0.333
  653    HB3  LYS  90           HB3      LYS  90   5.784  41.003   0.496
  654    HG2  LYS  90           HG2      LYS  90   5.009  43.386   1.093
  655    HG3  LYS  90           HG3      LYS  90   6.619  43.931   0.582
  656    HD2  LYS  90           HD2      LYS  90   6.211  42.832  -1.649
  657    HD3  LYS  90           HD3      LYS  90   4.569  42.446  -1.124
  658    HE2  LYS  90           HE2      LYS  90   5.774  45.229  -1.479
  659    HE3  LYS  90           HE3      LYS  90   4.602  44.441  -2.538
  660    HZ1  LYS  90           HZ1      LYS  90   3.049  44.432  -0.591
  661    HZ2  LYS  90           HZ2      LYS  90   4.119  45.370   0.222
  662    HZ3  LYS  90           HZ3      LYS  90   3.433  45.929  -1.146
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -0.053   9.123   4.997
    2    H2   MET   1           H2       MET   1  -1.497   9.667   5.567
    3    H3   MET   1           H3       MET   1  -1.413   8.264   4.727
    4    HA   MET   1           HA       MET   1  -2.320   9.967   3.328
    5    HB2  MET   1           HB2      MET   1   0.326  11.381   3.900
    6    HB3  MET   1           HB3      MET   1  -0.757  11.796   2.573
    7    HG2  MET   1           HG2      MET   1  -2.577  12.286   4.182
    8    HG3  MET   1           HG3      MET   1  -1.497  11.887   5.518
    9    HE1  MET   1           HE1      MET   1  -0.891  14.091   2.177
   10    HE2  MET   1           HE2      MET   1  -2.517  14.472   2.795
   11    HE3  MET   1           HE3      MET   1  -1.224  15.687   2.874
   12    H    CYS   2           H        CYS   2  -1.989   9.834   1.057
   13    HA   CYS   2           HA       CYS   2   0.388   8.376   0.058
   14    HB2  CYS   2           HB2      CYS   2  -2.535   7.663  -0.514
   15    HB3  CYS   2           HB3      CYS   2  -1.147   7.028  -1.396
   16    HG   CYS   2           HG       CYS   2  -1.874   6.729   1.819
   17    H    ILE   3           H        ILE   3   0.675   8.766  -2.260
   18    HA   ILE   3           HA       ILE   3  -0.236  11.352  -3.199
   19    HB   ILE   3           HB       ILE   3   0.867  10.742  -5.307
   20   HG12  ILE   3          HG12      ILE   3   1.620   8.093  -3.995
   21   HG13  ILE   3          HG13      ILE   3   0.394   8.284  -5.248
   22   HG21  ILE   3          HG21      ILE   3   2.076  11.767  -3.373
   23   HG22  ILE   3          HG22      ILE   3   2.620  10.149  -2.883
   24   HG23  ILE   3          HG23      ILE   3   3.127  10.838  -4.437
   25   HD11  ILE   3          HD11      ILE   3   3.360   8.886  -5.578
   26   HD12  ILE   3          HD12      ILE   3   2.468   7.516  -6.248
   27   HD13  ILE   3          HD13      ILE   3   2.107   9.158  -6.816
   28    H    GLY   4           H        GLY   4  -1.631  11.767  -4.899
   29    HA2  GLY   4           HA2      GLY   4  -3.413   9.961  -6.202
   30    HA3  GLY   4           HA3      GLY   4  -4.164  10.625  -4.731
   31    H    VAL   5           H        VAL   5  -1.884  11.900  -7.220
   32    HA   VAL   5           HA       VAL   5  -3.533  14.318  -7.632
   33    HB   VAL   5           HB       VAL   5  -1.460  15.709  -7.197
   34   HG11  VAL   5          HG11      VAL   5  -3.302  15.558  -5.547
   35   HG12  VAL   5          HG12      VAL   5  -2.443  14.233  -4.731
   36   HG13  VAL   5          HG13      VAL   5  -1.718  15.848  -4.810
   37   HG21  VAL   5          HG21      VAL   5  -0.344  13.255  -5.780
   38   HG22  VAL   5          HG22      VAL   5   0.250  13.909  -7.321
   39   HG23  VAL   5          HG23      VAL   5   0.357  14.878  -5.849
   40    HA   PRO   6           HA       PRO   6  -1.834  14.131 -11.781
   41    HB2  PRO   6           HB2      PRO   6  -0.831  16.949 -11.412
   42    HB3  PRO   6           HB3      PRO   6  -1.750  16.246 -12.777
   43    HG2  PRO   6           HG2      PRO   6  -2.983  17.798 -10.914
   44    HG3  PRO   6           HG3      PRO   6  -3.787  16.339 -11.554
   45    HD2  PRO   6           HD2      PRO   6  -2.316  16.702  -8.945
   46    HD3  PRO   6           HD3      PRO   6  -3.842  15.823  -9.265
   47    H    GLY   7           H        GLY   7   0.127  13.764 -12.847
   48    HA2  GLY   7           HA2      GLY   7   2.662  14.866 -11.962
   49    HA3  GLY   7           HA3      GLY   7   2.528  13.099 -11.805
   50    H    GLN   8           H        GLN   8   4.366  14.153 -13.656
   51    HA   GLN   8           HA       GLN   8   2.975  14.079 -16.304
   52    HB2  GLN   8           HB2      GLN   8   4.136  16.201 -15.611
   53    HB3  GLN   8           HB3      GLN   8   5.669  15.322 -15.651
   54    HG2  GLN   8           HG2      GLN   8   5.370  14.853 -18.052
   55    HG3  GLN   8           HG3      GLN   8   3.733  15.507 -17.999
   56   HE21  GLN   8          HE22      GLN   8   4.097  17.088 -19.605
   57   HE22  GLN   8          HE21      GLN   8   5.056  18.516 -19.283
   58    H    ILE   9           H        ILE   9   3.510  12.504 -17.736
   59    HA   ILE   9           HA       ILE   9   5.142  10.265 -16.890
   60    HB   ILE   9           HB       ILE   9   3.947  10.968 -19.612
   61   HG12  ILE   9          HG12      ILE   9   2.894   9.163 -17.382
   62   HG13  ILE   9          HG13      ILE   9   2.241  10.742 -17.831
   63   HG21  ILE   9          HG21      ILE   9   5.839   9.309 -19.737
   64   HG22  ILE   9          HG22      ILE   9   4.982   8.284 -18.570
   65   HG23  ILE   9          HG23      ILE   9   4.299   8.600 -20.179
   66   HD11  ILE   9          HD11      ILE   9   0.842   8.973 -18.693
   67   HD12  ILE   9          HD12      ILE   9   1.571   9.906 -20.004
   68   HD13  ILE   9          HD13      ILE   9   2.183   8.274 -19.593
   69    H    ARG  10           H        ARG  10   7.322  10.229 -16.966
   70    HA   ARG  10           HA       ARG  10   8.710  12.103 -18.835
   71    HB2  ARG  10           HB2      ARG  10   8.834  12.972 -16.626
   72    HB3  ARG  10           HB3      ARG  10   9.248  11.415 -15.941
   73    HG2  ARG  10           HG2      ARG  10  11.194  12.872 -15.981
   74    HG3  ARG  10           HG3      ARG  10  11.463  11.482 -17.024
   75    HD2  ARG  10           HD2      ARG  10  10.816  12.965 -19.013
   76    HD3  ARG  10           HD3      ARG  10  10.723  14.314 -17.885
   77    HE   ARG  10           HE       ARG  10  13.006  14.425 -17.792
   78   HH11  ARG  10          HH11      ARG  10  12.155  11.330 -19.366
   79   HH12  ARG  10          HH12      ARG  10  13.769  11.023 -19.901
   80   HH21  ARG  10          HH21      ARG  10  15.140  13.977 -18.494
   81   HH22  ARG  10          HH22      ARG  10  15.495  12.548 -19.386
   82    H    THR  11           H        THR  11   8.523   8.754 -17.677
   83    HA   THR  11           HA       THR  11  10.198   8.076 -19.979
   84    HB   THR  11           HB       THR  11  10.796   6.477 -17.517
   85    HG1  THR  11           HG1      THR  11  12.565   7.968 -17.058
   86   HG21  THR  11          HG21      THR  11  13.039   6.375 -18.534
   87   HG22  THR  11          HG22      THR  11  11.800   5.929 -19.711
   88   HG23  THR  11          HG23      THR  11  12.543   7.545 -19.779
   89    H    ILE  12           H        ILE  12   9.750   5.783 -20.645
   90    HA   ILE  12           HA       ILE  12   7.451   4.498 -19.316
   91    HB   ILE  12           HB       ILE  12   7.635   4.937 -22.320
   92   HG12  ILE  12          HG12      ILE  12   5.725   6.142 -20.263
   93   HG13  ILE  12          HG13      ILE  12   6.951   7.005 -21.187
   94   HG21  ILE  12          HG21      ILE  12   5.429   3.802 -22.406
   95   HG22  ILE  12          HG22      ILE  12   6.640   2.741 -21.735
   96   HG23  ILE  12          HG23      ILE  12   5.482   3.543 -20.649
   97   HD11  ILE  12          HD11      ILE  12   4.379   5.817 -22.244
   98   HD12  ILE  12          HD12      ILE  12   4.915   7.504 -22.228
   99   HD13  ILE  12          HD13      ILE  12   5.719   6.341 -23.301
  100    H    ASP  13           H        ASP  13   7.643   2.224 -19.378
  101    HA   ASP  13           HA       ASP  13  10.238   1.169 -20.454
  102    HB2  ASP  13           HB2      ASP  13  10.302   1.552 -18.030
  103    HB3  ASP  13           HB3      ASP  13   8.841   0.585 -17.823
  104    H    GLY  14           H        GLY  14   6.775   0.738 -20.258
  105    HA2  GLY  14           HA2      GLY  14   6.502  -1.212 -22.206
  106    HA3  GLY  14           HA3      GLY  14   6.654  -2.100 -20.670
  107    H    ASN  15           H        ASN  15   4.579  -2.634 -20.086
  108    HA   ASN  15           HA       ASN  15   2.282  -0.888 -20.356
  109    HB2  ASN  15           HB2      ASN  15   1.083  -2.538 -19.157
  110    HB3  ASN  15           HB3      ASN  15   2.168  -3.411 -20.227
  111   HD21  ASN  15          HD22      ASN  15   1.034  -3.225 -17.034
  112   HD22  ASN  15          HD21      ASN  15   2.309  -4.132 -16.250
  113    H    GLN  16           H        GLN  16   4.881  -0.095 -18.683
  114    HA   GLN  16           HA       GLN  16   3.454   1.184 -16.475
  115    HB2  GLN  16           HB2      GLN  16   6.072  -0.304 -16.003
  116    HB3  GLN  16           HB3      GLN  16   5.070   0.540 -14.818
  117    HG2  GLN  16           HG2      GLN  16   3.240  -1.194 -15.370
  118    HG3  GLN  16           HG3      GLN  16   4.487  -2.095 -16.221
  119   HE21  GLN  16          HE22      GLN  16   2.832  -2.448 -13.564
  120   HE22  GLN  16          HE21      GLN  16   4.073  -2.918 -12.409
  121    H    ALA  17           H        ALA  17   4.631   3.024 -15.729
  122    HA   ALA  17           HA       ALA  17   6.815   4.036 -17.456
  123    HB1  ALA  17           HB1      ALA  17   5.483   6.183 -17.641
  124    HB2  ALA  17           HB2      ALA  17   4.731   4.810 -18.460
  125    HB3  ALA  17           HB3      ALA  17   4.117   5.358 -16.878
  126    H    LYS  18           H        LYS  18   7.451   6.299 -16.563
  127    HA   LYS  18           HA       LYS  18   7.565   6.200 -13.582
  128    HB2  LYS  18           HB2      LYS  18   9.814   6.921 -15.499
  129    HB3  LYS  18           HB3      LYS  18   9.847   7.134 -13.741
  130    HG2  LYS  18           HG2      LYS  18   9.536   4.684 -13.437
  131    HG3  LYS  18           HG3      LYS  18   9.582   4.468 -15.199
  132    HD2  LYS  18           HD2      LYS  18  11.871   5.424 -15.261
  133    HD3  LYS  18           HD3      LYS  18  11.830   5.634 -13.496
  134    HE2  LYS  18           HE2      LYS  18  11.502   3.181 -13.221
  135    HE3  LYS  18           HE3      LYS  18  11.556   2.975 -14.975
  136    HZ1  LYS  18           HZ1      LYS  18  13.844   3.792 -14.933
  137    HZ2  LYS  18           HZ2      LYS  18  13.793   3.983 -13.309
  138    HZ3  LYS  18           HZ3      LYS  18  13.691   2.496 -13.961
  139    H    VAL  19           H        VAL  19   6.496   7.877 -12.834
  140    HA   VAL  19           HA       VAL  19   5.951  10.188 -14.638
  141    HB   VAL  19           HB       VAL  19   4.339   8.933 -12.374
  142   HG11  VAL  19          HG11      VAL  19   3.949  11.397 -12.618
  143   HG12  VAL  19          HG12      VAL  19   3.480  11.117 -14.312
  144   HG13  VAL  19          HG13      VAL  19   2.528  10.430 -12.987
  145   HG21  VAL  19          HG21      VAL  19   4.348   7.501 -14.401
  146   HG22  VAL  19          HG22      VAL  19   2.765   8.240 -14.164
  147   HG23  VAL  19          HG23      VAL  19   3.875   8.889 -15.388
  148    H    ASP  20           H        ASP  20   6.690  12.139 -13.931
  149    HA   ASP  20           HA       ASP  20   8.011  12.391 -11.314
  150    HB2  ASP  20           HB2      ASP  20   9.037  13.643 -13.087
  151    HB3  ASP  20           HB3      ASP  20   7.481  14.276 -13.638
  152    H    VAL  21           H        VAL  21   6.776  12.581  -9.558
  153    HA   VAL  21           HA       VAL  21   4.028  13.646  -9.795
  154    HB   VAL  21           HB       VAL  21   5.290  12.350  -7.353
  155   HG11  VAL  21          HG11      VAL  21   2.925  11.882  -6.778
  156   HG12  VAL  21          HG12      VAL  21   3.162  13.619  -6.987
  157   HG13  VAL  21          HG13      VAL  21   2.385  12.675  -8.273
  158   HG21  VAL  21          HG21      VAL  21   5.461  10.688  -9.114
  159   HG22  VAL  21          HG22      VAL  21   4.079  10.265  -8.104
  160   HG23  VAL  21          HG23      VAL  21   3.821  11.041  -9.683
  161    H    CYS  22           H        CYS  22   5.405  15.595 -10.432
  162    HA   CYS  22           HA       CYS  22   6.175  17.674 -10.086
  163    HB2  CYS  22           HB2      CYS  22   4.235  17.608  -7.746
  164    HB3  CYS  22           HB3      CYS  22   4.801  19.044  -8.609
  165    HG   CYS  22           HG       CYS  22   2.330  18.534  -9.281
  166    H    GLY  23           H        GLY  23   8.107  15.948  -9.087
  167    HA2  GLY  23           HA2      GLY  23   9.721  17.694  -7.709
  168    HA3  GLY  23           HA3      GLY  23   8.970  16.733  -6.422
  169    H    ILE  24           H        ILE  24   8.805  14.225  -7.933
  170    HA   ILE  24           HA       ILE  24  11.456  13.522  -8.788
  171    HB   ILE  24           HB       ILE  24  11.741  13.509  -6.315
  172   HG12  ILE  24          HG12      ILE  24  12.612  11.276  -5.953
  173   HG13  ILE  24          HG13      ILE  24  11.765  10.652  -7.361
  174   HG21  ILE  24          HG21      ILE  24  10.541  11.869  -4.909
  175   HG22  ILE  24          HG22      ILE  24   9.438  13.058  -5.612
  176   HG23  ILE  24          HG23      ILE  24   9.535  11.429  -6.308
  177   HD11  ILE  24          HD11      ILE  24  13.934  12.805  -7.419
  178   HD12  ILE  24          HD12      ILE  24  14.182  11.084  -7.773
  179   HD13  ILE  24          HD13      ILE  24  13.168  12.060  -8.844
  180    H    GLN  25           H        GLN  25  11.441  11.264  -9.600
  181    HA   GLN  25           HA       GLN  25   8.865  10.657 -10.822
  182    HB2  GLN  25           HB2      GLN  25  11.612   9.403 -11.107
  183    HB3  GLN  25           HB3      GLN  25  10.157   8.744 -11.863
  184    HG2  GLN  25           HG2      GLN  25   9.758  10.950 -12.991
  185    HG3  GLN  25           HG3      GLN  25  11.300  11.523 -12.355
  186   HE21  GLN  25          HE22      GLN  25   9.746   9.618 -14.874
  187   HE22  GLN  25          HE21      GLN  25  11.209   9.141 -15.692
  188    H    ARG  26           H        ARG  26   7.626   8.918 -10.534
  189    HA   ARG  26           HA       ARG  26   8.386   6.854  -8.497
  190    HB2  ARG  26           HB2      ARG  26   5.738   8.344  -8.802
  191    HB3  ARG  26           HB3      ARG  26   5.753   6.664  -8.301
  192    HG2  ARG  26           HG2      ARG  26   5.674   7.801  -6.292
  193    HG3  ARG  26           HG3      ARG  26   7.339   7.257  -6.440
  194    HD2  ARG  26           HD2      ARG  26   7.864   9.660  -7.293
  195    HD3  ARG  26           HD3      ARG  26   6.225  10.067  -6.811
  196    HE   ARG  26           HE       ARG  26   6.809   9.957  -4.596
  197   HH11  ARG  26          HH21      ARG  26   9.555   8.719  -6.542
  198   HH12  ARG  26          HH22      ARG  26  10.569   8.473  -5.167
  199   HH21  ARG  26          HH11      ARG  26   8.233   9.715  -2.804
  200   HH22  ARG  26          HH12      ARG  26   9.830   9.113  -3.018
  201    H    ASP  27           H        ASP  27   7.842   4.753  -9.112
  202    HA   ASP  27           HA       ASP  27   7.356   4.204 -11.943
  203    HB2  ASP  27           HB2      ASP  27   8.736   2.668 -10.647
  204    HB3  ASP  27           HB3      ASP  27   7.453   2.453  -9.451
  205    H    VAL  28           H        VAL  28   5.377   3.769 -12.863
  206    HA   VAL  28           HA       VAL  28   2.946   3.598 -11.169
  207    HB   VAL  28           HB       VAL  28   3.591   5.613 -13.365
  208   HG11  VAL  28          HG11      VAL  28   1.295   4.750 -13.731
  209   HG12  VAL  28          HG12      VAL  28   0.898   5.153 -12.042
  210   HG13  VAL  28          HG13      VAL  28   1.302   6.426 -13.218
  211   HG21  VAL  28          HG21      VAL  28   2.868   7.278 -11.619
  212   HG22  VAL  28          HG22      VAL  28   2.731   5.954 -10.449
  213   HG23  VAL  28          HG23      VAL  28   4.306   6.382 -11.149
  214    H    ASP  29           H        ASP  29   1.831   1.845 -11.845
  215    HA   ASP  29           HA       ASP  29   2.352   0.519 -14.360
  216    HB2  ASP  29           HB2      ASP  29   1.501  -0.593 -12.257
  217    HB3  ASP  29           HB3      ASP  29  -0.045   0.229 -12.518
  218    H    LEU  30           H        LEU  30   1.253   0.742 -16.281
  219    HA   LEU  30           HA       LEU  30  -0.550   3.097 -16.485
  220    HB2  LEU  30           HB2      LEU  30   1.943   3.166 -17.300
  221    HB3  LEU  30           HB3      LEU  30   1.376   2.116 -18.603
  222    HG   LEU  30           HG       LEU  30  -0.237   3.911 -19.267
  223   HD11  LEU  30          HD11      LEU  30  -0.417   5.162 -17.127
  224   HD12  LEU  30          HD12      LEU  30   1.299   5.589 -17.219
  225   HD13  LEU  30          HD13      LEU  30   0.149   6.221 -18.418
  226   HD21  LEU  30          HD21      LEU  30   1.392   5.282 -20.382
  227   HD22  LEU  30          HD22      LEU  30   2.632   4.896 -19.175
  228   HD23  LEU  30          HD23      LEU  30   2.051   3.641 -20.280
  229    H    THR  31           H        THR  31  -0.616  -0.230 -16.610
  230    HA   THR  31           HA       THR  31  -1.783  -0.887 -19.070
  231    HB   THR  31           HB       THR  31  -2.593  -2.188 -16.454
  232    HG1  THR  31           HG1      THR  31  -0.549  -1.962 -16.082
  233   HG21  THR  31          HG21      THR  31  -3.456  -3.198 -18.537
  234   HG22  THR  31          HG22      THR  31  -1.796  -3.352 -19.160
  235   HG23  THR  31          HG23      THR  31  -2.309  -4.274 -17.725
  236    H    LEU  32           H        LEU  32  -3.199   0.640 -16.213
  237    HA   LEU  32           HA       LEU  32  -5.955   0.212 -16.854
  238    HB2  LEU  32           HB2      LEU  32  -4.654   2.417 -15.207
  239    HB3  LEU  32           HB3      LEU  32  -6.368   2.021 -15.212
  240    HG   LEU  32           HG       LEU  32  -4.113   0.260 -14.173
  241   HD11  LEU  32          HD11      LEU  32  -5.155   0.641 -11.990
  242   HD12  LEU  32          HD12      LEU  32  -4.742   2.188 -12.751
  243   HD13  LEU  32          HD13      LEU  32  -6.426   1.633 -12.739
  244   HD21  LEU  32          HD21      LEU  32  -7.107  -0.317 -14.296
  245   HD22  LEU  32          HD22      LEU  32  -5.814  -1.221 -15.118
  246   HD23  LEU  32          HD23      LEU  32  -5.922  -1.256 -13.360
  247    H    VAL  33           H        VAL  33  -3.654   2.319 -18.370
  248    HA   VAL  33           HA       VAL  33  -5.881   3.793 -19.669
  249    HB   VAL  33           HB       VAL  33  -4.685   4.960 -17.703
  250   HG11  VAL  33          HG11      VAL  33  -2.380   4.460 -18.298
  251   HG12  VAL  33          HG12      VAL  33  -2.521   5.447 -19.770
  252   HG13  VAL  33          HG13      VAL  33  -2.670   6.201 -18.170
  253   HG21  VAL  33          HG21      VAL  33  -4.944   7.125 -18.682
  254   HG22  VAL  33          HG22      VAL  33  -4.830   6.466 -20.332
  255   HG23  VAL  33          HG23      VAL  33  -6.222   6.073 -19.297
  256    H    GLY  34           H        GLY  34  -3.064   1.925 -20.058
  257    HA2  GLY  34           HA2      GLY  34  -2.329   0.958 -22.009
  258    HA3  GLY  34           HA3      GLY  34  -3.231   2.128 -22.981
  259    H    SER  35           H        SER  35  -0.243   1.193 -22.722
  260    HA   SER  35           HA       SER  35   1.170   3.705 -22.375
  261    HB2  SER  35           HB2      SER  35   2.079   1.080 -23.629
  262    HB3  SER  35           HB3      SER  35   3.106   2.420 -23.078
  263    HG   SER  35           HG       SER  35   3.093   1.017 -21.417
  264    H    CYS  36           H        CYS  36   2.387   4.600 -24.161
  265    HA   CYS  36           HA       CYS  36   2.393   5.889 -25.996
  266    HB2  CYS  36           HB2      CYS  36   1.218   3.493 -27.441
  267    HB3  CYS  36           HB3      CYS  36   1.953   4.909 -28.200
  268    HG   CYS  36           HG       CYS  36   3.618   2.892 -28.311
  269    H    ASP  37           H        ASP  37   0.955   6.695 -27.920
  270    HA   ASP  37           HA       ASP  37  -1.725   7.450 -26.844
  271    HB2  ASP  37           HB2      ASP  37  -0.153   9.176 -26.230
  272    HB3  ASP  37           HB3      ASP  37   0.622   9.115 -27.808
  273    H    GLU  38           H        GLU  38  -3.185   8.141 -28.484
  274    HA   GLU  38           HA       GLU  38  -3.325   6.382 -30.604
  275    HB2  GLU  38           HB2      GLU  38  -5.319   7.594 -31.255
  276    HB3  GLU  38           HB3      GLU  38  -5.226   7.458 -29.499
  277    HG2  GLU  38           HG2      GLU  38  -4.390   9.813 -29.375
  278    HG3  GLU  38           HG3      GLU  38  -4.526   9.944 -31.129
  279    H    ASN  39           H        ASN  39  -1.627   9.438 -30.627
  280    HA   ASN  39           HA       ASN  39  -1.728   9.801 -33.522
  281    HB2  ASN  39           HB2      ASN  39   0.066  11.007 -31.389
  282    HB3  ASN  39           HB3      ASN  39   0.127  11.444 -33.086
  283   HD21  ASN  39          HD22      ASN  39  -1.870  11.639 -30.145
  284   HD22  ASN  39          HD21      ASN  39  -2.947  12.884 -30.763
  285    H    GLY  40           H        GLY  40  -0.107   7.486 -31.579
  286    HA2  GLY  40           HA2      GLY  40   1.342   5.835 -32.319
  287    HA3  GLY  40           HA3      GLY  40   1.655   6.727 -33.820
  288    H    GLN  41           H        GLN  41   1.914   7.580 -30.322
  289    HA   GLN  41           HA       GLN  41   4.800   8.111 -30.564
  290    HB2  GLN  41           HB2      GLN  41   4.570  10.392 -29.719
  291    HB3  GLN  41           HB3      GLN  41   3.652  10.232 -31.214
  292    HG2  GLN  41           HG2      GLN  41   1.561   9.943 -29.849
  293    HG3  GLN  41           HG3      GLN  41   2.509  10.212 -28.384
  294   HE21  GLN  41          HE22      GLN  41   0.231  11.752 -29.168
  295   HE22  GLN  41          HE21      GLN  41   0.796  13.401 -29.404
  296    HA   PRO  42           HA       PRO  42   4.433   6.695 -26.285
  297    HB2  PRO  42           HB2      PRO  42   6.545   7.910 -25.034
  298    HB3  PRO  42           HB3      PRO  42   6.740   6.557 -26.185
  299    HG2  PRO  42           HG2      PRO  42   7.020   9.527 -26.734
  300    HG3  PRO  42           HG3      PRO  42   8.134   8.203 -27.204
  301    HD2  PRO  42           HD2      PRO  42   6.279   9.220 -28.922
  302    HD3  PRO  42           HD3      PRO  42   6.697   7.483 -28.928
  303    H    ARG  43           H        ARG  43   3.605   7.522 -24.230
  304    HA   ARG  43           HA       ARG  43   2.221  10.038 -24.434
  305    HB2  ARG  43           HB2      ARG  43   2.544   8.206 -22.016
  306    HB3  ARG  43           HB3      ARG  43   1.461   9.588 -22.155
  307    HG2  ARG  43           HG2      ARG  43   0.294   8.403 -24.061
  308    HG3  ARG  43           HG3      ARG  43   1.191   6.947 -23.566
  309    HD2  ARG  43           HD2      ARG  43   0.300   7.177 -21.263
  310    HD3  ARG  43           HD3      ARG  43  -0.554   8.651 -21.709
  311    HE   ARG  43           HE       ARG  43  -1.320   5.888 -22.253
  312   HH11  ARG  43          HH21      ARG  43  -1.800   9.245 -23.396
  313   HH12  ARG  43          HH22      ARG  43  -3.375   8.918 -24.029
  314   HH21  ARG  43          HH11      ARG  43  -3.490   5.555 -22.856
  315   HH22  ARG  43          HH12      ARG  43  -4.337   6.764 -23.752
  316    H    VAL  44           H        VAL  44   5.460   9.835 -23.979
  317    HA   VAL  44           HA       VAL  44   5.915  11.047 -21.437
  318    HB   VAL  44           HB       VAL  44   7.591  11.057 -23.981
  319   HG11  VAL  44          HG11      VAL  44   8.376  11.863 -21.141
  320   HG12  VAL  44          HG12      VAL  44   9.509  11.616 -22.485
  321   HG13  VAL  44          HG13      VAL  44   8.332  12.928 -22.563
  322   HG21  VAL  44          HG21      VAL  44   7.208   8.799 -22.983
  323   HG22  VAL  44          HG22      VAL  44   8.888   9.306 -22.812
  324   HG23  VAL  44          HG23      VAL  44   7.792   9.398 -21.419
  325    H    GLY  45           H        GLY  45   5.636  13.064 -20.727
  326    HA2  GLY  45           HA2      GLY  45   5.577  15.424 -20.915
  327    HA3  GLY  45           HA3      GLY  45   5.134  15.302 -22.621
  328    H    GLN  46           H        GLN  46   3.081  13.068 -21.807
  329    HA   GLN  46           HA       GLN  46   0.827  14.855 -21.278
  330    HB2  GLN  46           HB2      GLN  46   0.949  11.805 -21.354
  331    HB3  GLN  46           HB3      GLN  46  -0.512  12.790 -21.287
  332    HG2  GLN  46           HG2      GLN  46   0.090  13.842 -23.450
  333    HG3  GLN  46           HG3      GLN  46   1.505  12.798 -23.576
  334   HE21  GLN  46          HE22      GLN  46  -0.149  12.742 -25.660
  335   HE22  GLN  46          HE21      GLN  46  -1.192  11.335 -25.693
  336    H    TRP  47           H        TRP  47  -0.642  14.381 -19.400
  337    HA   TRP  47           HA       TRP  47   0.957  13.772 -16.958
  338    HB2  TRP  47           HB2      TRP  47  -1.298  15.742 -17.418
  339    HB3  TRP  47           HB3      TRP  47  -0.713  15.269 -15.830
  340    HD1  TRP  47           HD1      TRP  47   0.775  16.818 -19.048
  341    HE1  TRP  47           HE1      TRP  47   2.510  18.593 -18.400
  342    HE3  TRP  47           HE3      TRP  47   0.686  16.196 -13.978
  343    HZ2  TRP  47           HZ2      TRP  47   3.664  19.655 -15.963
  344    HZ3  TRP  47           HZ3      TRP  47   2.125  17.579 -12.516
  345    HH2  TRP  47           HH2      TRP  47   3.609  19.320 -13.490
  346    H    VAL  48           H        VAL  48  -0.174  12.762 -15.241
  347    HA   VAL  48           HA       VAL  48  -2.713  11.415 -15.891
  348    HB   VAL  48           HB       VAL  48  -1.596   9.309 -14.815
  349   HG11  VAL  48          HG11      VAL  48  -0.870   8.432 -17.010
  350   HG12  VAL  48          HG12      VAL  48  -2.430   9.246 -17.075
  351   HG13  VAL  48          HG13      VAL  48  -0.979  10.073 -17.688
  352   HG21  VAL  48          HG21      VAL  48   0.602  10.445 -14.298
  353   HG22  VAL  48          HG22      VAL  48   0.748   8.942 -15.231
  354   HG23  VAL  48          HG23      VAL  48   0.925  10.515 -16.030
  355    H    LEU  49           H        LEU  49  -3.894  10.920 -14.094
  356    HA   LEU  49           HA       LEU  49  -3.151  12.233 -11.523
  357    HB2  LEU  49           HB2      LEU  49  -5.537  10.549 -12.423
  358    HB3  LEU  49           HB3      LEU  49  -5.358  11.231 -10.806
  359    HG   LEU  49           HG       LEU  49  -5.636  12.816 -13.398
  360   HD11  LEU  49          HD11      LEU  49  -7.664  11.556 -12.749
  361   HD12  LEU  49          HD12      LEU  49  -7.633  12.327 -11.150
  362   HD13  LEU  49          HD13      LEU  49  -7.898  13.309 -12.610
  363   HD21  LEU  49          HD21      LEU  49  -5.997  14.766 -11.891
  364   HD22  LEU  49          HD22      LEU  49  -5.576  13.754 -10.490
  365   HD23  LEU  49          HD23      LEU  49  -4.367  14.100 -11.750
  366    H    VAL  50           H        VAL  50  -2.001  10.963 -10.004
  367    HA   VAL  50           HA       VAL  50  -1.907   8.036 -10.560
  368    HB   VAL  50           HB       VAL  50   0.538   8.203  -9.942
  369   HG11  VAL  50          HG11      VAL  50  -0.433   9.483 -12.520
  370   HG12  VAL  50          HG12      VAL  50   1.162   8.748 -12.260
  371   HG13  VAL  50          HG13      VAL  50  -0.292   7.746 -12.193
  372   HG21  VAL  50          HG21      VAL  50   1.738  10.262 -10.390
  373   HG22  VAL  50          HG22      VAL  50   0.240  11.140 -10.736
  374   HG23  VAL  50          HG23      VAL  50   0.581  10.568  -9.087
  375    H    HIS  51           H        HIS  51  -2.222   6.758  -9.003
  376    HA   HIS  51           HA       HIS  51  -2.269   7.733  -6.206
  377    HB2  HIS  51           HB2      HIS  51  -4.208   6.417  -7.205
  378    HB3  HIS  51           HB3      HIS  51  -3.129   5.028  -7.305
  379    HD1  HIS  51           HD1      HIS  51  -3.081   7.306  -4.157
  380    HD2  HIS  51           HD2      HIS  51  -4.643   3.641  -5.563
  381    HE1  HIS  51           HE1      HIS  51  -3.998   6.081  -2.128
  382    H    VAL  52           H        VAL  52  -1.486   5.301  -4.981
  383    HA   VAL  52           HA       VAL  52   1.178   5.676  -4.628
  384    HB   VAL  52           HB       VAL  52   1.206   3.389  -3.590
  385   HG11  VAL  52          HG11      VAL  52   0.489   5.408  -2.358
  386   HG12  VAL  52          HG12      VAL  52  -1.192   5.128  -2.867
  387   HG13  VAL  52          HG13      VAL  52  -0.371   3.961  -1.815
  388   HG21  VAL  52          HG21      VAL  52  -0.374   2.205  -5.092
  389   HG22  VAL  52          HG22      VAL  52  -0.861   2.108  -3.400
  390   HG23  VAL  52          HG23      VAL  52  -1.710   3.214  -4.491
  391    H    GLY  53           H        GLY  53  -0.110   3.662  -7.253
  392    HA2  GLY  53           HA2      GLY  53   2.420   3.817  -8.594
  393    HA3  GLY  53           HA3      GLY  53   2.150   2.184  -7.960
  394    H    PHE  54           H        PHE  54  -0.397   4.429  -9.223
  395    HA   PHE  54           HA       PHE  54  -0.774   2.731 -11.609
  396    HB2  PHE  54           HB2      PHE  54  -2.837   3.059  -9.383
  397    HB3  PHE  54           HB3      PHE  54  -3.231   2.540 -11.008
  398    HD1  PHE  54           HD1      PHE  54  -2.495   0.343 -11.891
  399    HD2  PHE  54           HD2      PHE  54  -1.737   1.516  -7.807
  400    HE1  PHE  54           HE1      PHE  54  -1.973  -2.010 -11.315
  401    HE2  PHE  54           HE2      PHE  54  -1.198  -0.833  -7.232
  402    HZ   PHE  54           HZ       PHE  54  -1.317  -2.607  -8.982
  403    H    ALA  55           H        ALA  55  -1.449   3.970 -13.282
  404    HA   ALA  55           HA       ALA  55  -2.123   6.798 -12.917
  405    HB1  ALA  55           HB1      ALA  55  -2.178   4.986 -15.372
  406    HB2  ALA  55           HB2      ALA  55  -2.431   6.745 -15.375
  407    HB3  ALA  55           HB3      ALA  55  -0.856   6.082 -14.895
  408    H    MET  56           H        MET  56  -4.074   7.433 -12.318
  409    HA   MET  56           HA       MET  56  -6.379   5.640 -12.260
  410    HB2  MET  56           HB2      MET  56  -6.114   8.603 -11.606
  411    HB3  MET  56           HB3      MET  56  -7.494   7.582 -11.219
  412    HG2  MET  56           HG2      MET  56  -6.228   6.334  -9.603
  413    HG3  MET  56           HG3      MET  56  -4.698   6.986 -10.179
  414    HE1  MET  56           HE1      MET  56  -7.953   7.704  -8.134
  415    HE2  MET  56           HE2      MET  56  -7.740   9.401  -7.654
  416    HE3  MET  56           HE3      MET  56  -8.074   8.999  -9.349
  417    H    SER  57           H        SER  57  -5.477   8.720 -13.941
  418    HA   SER  57           HA       SER  57  -7.024   7.993 -16.327
  419    HB2  SER  57           HB2      SER  57  -7.450  10.655 -14.894
  420    HB3  SER  57           HB3      SER  57  -8.263  10.088 -16.357
  421    HG   SER  57           HG       SER  57  -9.590   9.868 -14.523
  422    H    VAL  58           H        VAL  58  -6.444   9.564 -18.118
  423    HA   VAL  58           HA       VAL  58  -3.805  10.882 -17.713
  424    HB   VAL  58           HB       VAL  58  -3.708   8.987 -19.251
  425   HG11  VAL  58          HG11      VAL  58  -4.827   8.951 -21.409
  426   HG12  VAL  58          HG12      VAL  58  -6.041   8.990 -20.129
  427   HG13  VAL  58          HG13      VAL  58  -5.676  10.466 -21.047
  428   HG21  VAL  58          HG21      VAL  58  -2.189  10.840 -19.659
  429   HG22  VAL  58          HG22      VAL  58  -2.672  10.083 -21.173
  430   HG23  VAL  58          HG23      VAL  58  -3.387  11.637 -20.703
  431    H    ILE  59           H        ILE  59  -3.615  13.035 -18.362
  432    HA   ILE  59           HA       ILE  59  -6.040  14.472 -19.229
  433    HB   ILE  59           HB       ILE  59  -5.930  16.028 -17.393
  434   HG12  ILE  59          HG12      ILE  59  -3.708  14.304 -16.220
  435   HG13  ILE  59          HG13      ILE  59  -3.571  15.961 -16.825
  436   HG21  ILE  59          HG21      ILE  59  -6.133  13.249 -16.187
  437   HG22  ILE  59          HG22      ILE  59  -6.979  14.728 -15.687
  438   HG23  ILE  59          HG23      ILE  59  -7.374  13.985 -17.231
  439   HD11  ILE  59          HD11      ILE  59  -5.135  16.725 -15.038
  440   HD12  ILE  59          HD12      ILE  59  -5.123  15.076 -14.365
  441   HD13  ILE  59          HD13      ILE  59  -3.627  16.007 -14.419
  442    H    ASN  60           H        ASN  60  -5.556  16.742 -19.733
  443    HA   ASN  60           HA       ASN  60  -3.105  16.942 -21.295
  444    HB2  ASN  60           HB2      ASN  60  -5.396  18.888 -20.753
  445    HB3  ASN  60           HB3      ASN  60  -4.027  19.269 -21.785
  446   HD21  ASN  60          HD22      ASN  60  -6.876  17.158 -21.470
  447   HD22  ASN  60          HD21      ASN  60  -6.938  16.717 -23.174
  448    H    GLU  61           H        GLU  61  -1.711  18.879 -21.161
  449    HA   GLU  61           HA       GLU  61  -0.397  19.235 -18.705
  450    HB2  GLU  61           HB2      GLU  61  -0.566  20.877 -21.271
  451    HB3  GLU  61           HB3      GLU  61   0.477  21.357 -19.958
  452    HG2  GLU  61           HG2      GLU  61   0.961  18.545 -20.552
  453    HG3  GLU  61           HG3      GLU  61   0.995  19.471 -22.044
  454    H    ALA  62           H        ALA  62  -3.000  21.177 -20.186
  455    HA   ALA  62           HA       ALA  62  -2.891  23.277 -18.205
  456    HB1  ALA  62           HB1      ALA  62  -5.003  24.017 -19.245
  457    HB2  ALA  62           HB2      ALA  62  -3.787  23.643 -20.480
  458    HB3  ALA  62           HB3      ALA  62  -5.113  22.498 -20.155
  459    H    GLU  63           H        GLU  63  -4.837  20.294 -18.597
  460    HA   GLU  63           HA       GLU  63  -6.694  20.816 -16.469
  461    HB2  GLU  63           HB2      GLU  63  -5.711  18.242 -17.763
  462    HB3  GLU  63           HB3      GLU  63  -6.996  18.296 -16.550
  463    HG2  GLU  63           HG2      GLU  63  -8.356  19.728 -18.005
  464    HG3  GLU  63           HG3      GLU  63  -7.084  19.730 -19.233
  465    H    ALA  64           H        ALA  64  -3.512  19.141 -16.627
  466    HA   ALA  64           HA       ALA  64  -3.484  18.267 -13.922
  467    HB1  ALA  64           HB1      ALA  64  -1.042  18.145 -14.236
  468    HB2  ALA  64           HB2      ALA  64  -1.910  17.447 -15.622
  469    HB3  ALA  64           HB3      ALA  64  -1.168  19.055 -15.753
  470    H    ARG  65           H        ARG  65  -2.208  21.303 -15.399
  471    HA   ARG  65           HA       ARG  65  -1.229  22.341 -12.906
  472    HB2  ARG  65           HB2      ARG  65  -1.963  23.643 -15.555
  473    HB3  ARG  65           HB3      ARG  65  -1.303  24.564 -14.193
  474    HG2  ARG  65           HG2      ARG  65   0.750  23.330 -14.183
  475    HG3  ARG  65           HG3      ARG  65   0.110  22.095 -15.273
  476    HD2  ARG  65           HD2      ARG  65  -0.074  23.794 -17.088
  477    HD3  ARG  65           HD3      ARG  65   0.588  25.015 -15.996
  478    HE   ARG  65           HE       ARG  65   2.681  24.265 -16.450
  479   HH11  ARG  65          HH22      ARG  65   0.471  21.544 -17.232
  480   HH12  ARG  65          HH21      ARG  65   1.750  20.694 -18.093
  481   HH21  ARG  65          HH11      ARG  65   4.266  22.982 -17.650
  482   HH22  ARG  65          HH12      ARG  65   3.729  21.483 -18.374
  483    H    ASP  66           H        ASP  66  -4.404  22.740 -14.566
  484    HA   ASP  66           HA       ASP  66  -5.500  24.557 -12.667
  485    HB2  ASP  66           HB2      ASP  66  -6.552  24.134 -14.826
  486    HB3  ASP  66           HB3      ASP  66  -6.840  22.446 -14.398
  487    H    THR  67           H        THR  67  -5.462  20.955 -12.741
  488    HA   THR  67           HA       THR  67  -7.021  20.613 -10.377
  489    HB   THR  67           HB       THR  67  -4.928  18.774 -11.615
  490    HG1  THR  67           HG1      THR  67  -6.436  19.232 -13.124
  491   HG21  THR  67          HG21      THR  67  -5.577  17.991  -9.371
  492   HG22  THR  67          HG22      THR  67  -7.296  18.162  -9.784
  493   HG23  THR  67          HG23      THR  67  -6.289  16.948 -10.608
  494    H    LEU  68           H        LEU  68  -3.445  20.854 -10.874
  495    HA   LEU  68           HA       LEU  68  -2.743  20.423  -8.140
  496    HB2  LEU  68           HB2      LEU  68  -1.364  21.983 -10.362
  497    HB3  LEU  68           HB3      LEU  68  -0.652  21.766  -8.770
  498    HG   LEU  68           HG       LEU  68  -1.441  19.425 -10.551
  499   HD11  LEU  68          HD11      LEU  68   1.294  20.718 -10.231
  500   HD12  LEU  68          HD12      LEU  68   0.917  19.246 -11.158
  501   HD13  LEU  68          HD13      LEU  68   0.261  20.798 -11.677
  502   HD21  LEU  68          HD21      LEU  68   0.376  19.567  -8.111
  503   HD22  LEU  68          HD22      LEU  68  -1.235  18.825  -8.168
  504   HD23  LEU  68          HD23      LEU  68   0.080  18.128  -9.113
  505    H    ASP  69           H        ASP  69  -3.484  23.461  -9.955
  506    HA   ASP  69           HA       ASP  69  -3.011  25.205  -7.751
  507    HB2  ASP  69           HB2      ASP  69  -3.165  26.022 -10.045
  508    HB3  ASP  69           HB3      ASP  69  -4.849  25.502 -10.156
  509    H    ALA  70           H        ALA  70  -6.047  23.593  -8.852
  510    HA   ALA  70           HA       ALA  70  -7.739  24.758  -6.908
  511    HB1  ALA  70           HB1      ALA  70  -7.911  22.004  -8.220
  512    HB2  ALA  70           HB2      ALA  70  -9.227  22.836  -7.367
  513    HB3  ALA  70           HB3      ALA  70  -8.575  23.521  -8.869
  514    H    LEU  71           H        LEU  71  -5.875  21.679  -6.807
  515    HA   LEU  71           HA       LEU  71  -6.642  20.896  -4.194
  516    HB2  LEU  71           HB2      LEU  71  -5.591  19.446  -5.887
  517    HB3  LEU  71           HB3      LEU  71  -4.090  20.342  -5.785
  518    HG   LEU  71           HG       LEU  71  -4.140  18.112  -4.672
  519   HD11  LEU  71          HD11      LEU  71  -3.494  20.265  -2.631
  520   HD12  LEU  71          HD12      LEU  71  -2.805  18.650  -2.793
  521   HD13  LEU  71          HD13      LEU  71  -2.471  19.867  -4.032
  522   HD21  LEU  71          HD21      LEU  71  -5.895  19.431  -2.568
  523   HD22  LEU  71          HD22      LEU  71  -6.419  18.199  -3.735
  524   HD23  LEU  71          HD23      LEU  71  -5.207  17.797  -2.509
  525    H    GLN  72           H        GLN  72  -3.780  22.776  -5.329
  526    HA   GLN  72           HA       GLN  72  -2.593  23.102  -2.809
  527    HB2  GLN  72           HB2      GLN  72  -1.451  23.463  -4.924
  528    HB3  GLN  72           HB3      GLN  72  -2.476  24.860  -5.298
  529    HG2  GLN  72           HG2      GLN  72  -1.512  26.138  -3.484
  530    HG3  GLN  72           HG3      GLN  72  -0.673  24.711  -2.855
  531   HE21  GLN  72          HE22      GLN  72   1.199  26.268  -2.960
  532   HE22  GLN  72          HE21      GLN  72   2.097  26.322  -4.477
  533    H    ASN  73           H        ASN  73  -5.180  25.084  -4.369
  534    HA   ASN  73           HA       ASN  73  -4.887  27.266  -2.541
  535    HB2  ASN  73           HB2      ASN  73  -6.347  28.269  -3.860
  536    HB3  ASN  73           HB3      ASN  73  -6.389  26.837  -4.864
  537   HD21  ASN  73          HD22      ASN  73  -8.101  25.092  -4.135
  538   HD22  ASN  73          HD21      ASN  73  -9.620  25.756  -3.571
  539    H    MET  74           H        MET  74  -6.222  24.147  -2.132
  540    HA   MET  74           HA       MET  74  -8.086  24.820  -0.001
  541    HB2  MET  74           HB2      MET  74  -8.220  23.000  -1.882
  542    HB3  MET  74           HB3      MET  74  -7.072  22.104  -0.899
  543    HG2  MET  74           HG2      MET  74  -9.147  21.262  -0.354
  544    HG3  MET  74           HG3      MET  74  -8.675  22.280   1.008
  545    HE1  MET  74           HE1      MET  74 -11.110  21.685  -1.985
  546    HE2  MET  74           HE2      MET  74 -12.074  23.177  -2.045
  547    HE3  MET  74           HE3      MET  74 -10.376  23.202  -2.557
  548    H    PHE  75           H        PHE  75  -4.657  24.029  -0.241
  549    HA   PHE  75           HA       PHE  75  -4.541  23.467   2.689
  550    HB2  PHE  75           HB2      PHE  75  -3.297  21.793   0.469
  551    HB3  PHE  75           HB3      PHE  75  -3.040  21.546   2.188
  552    HD1  PHE  75           HD1      PHE  75  -5.200  21.202   3.658
  553    HD2  PHE  75           HD2      PHE  75  -4.985  20.494  -0.582
  554    HE1  PHE  75           HE1      PHE  75  -7.183  19.708   3.810
  555    HE2  PHE  75           HE2      PHE  75  -6.961  18.994  -0.430
  556    HZ   PHE  75           HZ       PHE  75  -8.068  18.608   1.762
  557    H    ASP  76           H        ASP  76  -3.159  25.310   0.160
  558    HA   ASP  76           HA       ASP  76  -0.441  25.090   0.542
  559    HB2  ASP  76           HB2      ASP  76  -1.611  26.423  -1.222
  560    HB3  ASP  76           HB3      ASP  76  -1.933  27.679  -0.034
  561    H    VAL  77           H        VAL  77  -2.705  26.670   2.659
  562    HA   VAL  77           HA       VAL  77  -0.547  27.380   4.560
  563    HB   VAL  77           HB       VAL  77  -1.908  29.369   5.217
  564   HG11  VAL  77          HG11      VAL  77   0.153  29.573   3.870
  565   HG12  VAL  77          HG12      VAL  77  -0.804  29.452   2.378
  566   HG13  VAL  77          HG13      VAL  77  -1.026  30.833   3.471
  567   HG21  VAL  77          HG21      VAL  77  -4.044  28.712   4.043
  568   HG22  VAL  77          HG22      VAL  77  -3.504  30.351   3.650
  569   HG23  VAL  77          HG23      VAL  77  -3.266  29.035   2.484
  570    H    GLU  78           H        GLU  78  -1.767  24.988   4.428
  571    HA   GLU  78           HA       GLU  78  -2.387  23.427   5.889
  572    HB2  GLU  78           HB2      GLU  78  -3.428  25.479   7.876
  573    HB3  GLU  78           HB3      GLU  78  -2.981  23.821   8.176
  574    HG2  GLU  78           HG2      GLU  78  -1.077  26.106   7.540
  575    HG3  GLU  78           HG3      GLU  78  -1.287  25.276   9.071
  576    HA   PRO  79           HA       PRO  79  -6.560  22.627   4.777
  577    HB2  PRO  79           HB2      PRO  79  -7.170  21.660   7.570
  578    HB3  PRO  79           HB3      PRO  79  -7.496  20.855   6.006
  579    HG2  PRO  79           HG2      PRO  79  -5.405  20.081   7.551
  580    HG3  PRO  79           HG3      PRO  79  -5.200  20.222   5.777
  581    HD2  PRO  79           HD2      PRO  79  -4.404  22.176   7.933
  582    HD3  PRO  79           HD3      PRO  79  -3.483  21.654   6.489
  583    H    ASP  80           H        ASP  80  -6.083  24.798   7.452
  584    HA   ASP  80           HA       ASP  80  -8.689  25.340   8.299
  585    HB2  ASP  80           HB2      ASP  80  -6.711  26.189   9.439
  586    HB3  ASP  80           HB3      ASP  80  -6.298  27.199   8.050
  587    H    VAL  81           H        VAL  81  -6.913  26.833   5.510
  588    HA   VAL  81           HA       VAL  81  -9.142  28.575   4.893
  589    HB   VAL  81           HB       VAL  81  -8.007  29.006   2.765
  590   HG11  VAL  81          HG11      VAL  81  -6.137  29.124   5.167
  591   HG12  VAL  81          HG12      VAL  81  -6.086  30.148   3.712
  592   HG13  VAL  81          HG13      VAL  81  -7.459  30.258   4.818
  593   HG21  VAL  81          HG21      VAL  81  -7.007  26.795   2.308
  594   HG22  VAL  81          HG22      VAL  81  -5.806  28.084   2.251
  595   HG23  VAL  81          HG23      VAL  81  -5.881  27.014   3.666
  596    H    GLY  82           H        GLY  82  -8.370  25.219   4.084
  597    HA2  GLY  82           HA2      GLY  82 -10.209  25.002   1.878
  598    HA3  GLY  82           HA3      GLY  82  -9.519  23.675   2.846
  599    H    ALA  83           H        ALA  83 -10.375  24.291   5.410
  600    HA   ALA  83           HA       ALA  83 -13.093  23.453   5.433
  601    HB1  ALA  83           HB1      ALA  83 -11.488  23.038   7.276
  602    HB2  ALA  83           HB2      ALA  83 -11.459  24.779   7.646
  603    HB3  ALA  83           HB3      ALA  83 -12.955  23.846   7.855
  604    H    LEU  84           H        LEU  84 -11.620  26.712   5.802
  605    HA   LEU  84           HA       LEU  84 -14.055  28.101   6.304
  606    HB2  LEU  84           HB2      LEU  84 -11.765  29.005   6.707
  607    HB3  LEU  84           HB3      LEU  84 -11.483  29.043   4.968
  608    HG   LEU  84           HG       LEU  84 -13.399  30.687   4.745
  609   HD11  LEU  84          HD11      LEU  84 -14.595  30.185   6.868
  610   HD12  LEU  84          HD12      LEU  84 -13.206  30.774   7.793
  611   HD13  LEU  84          HD13      LEU  84 -14.142  31.889   6.772
  612   HD21  LEU  84          HD21      LEU  84 -11.051  31.412   4.784
  613   HD22  LEU  84          HD22      LEU  84 -12.093  32.598   5.584
  614   HD23  LEU  84          HD23      LEU  84 -11.089  31.500   6.559
  615    H    LEU  85           H        LEU  85 -12.264  27.521   3.216
  616    HA   LEU  85           HA       LEU  85 -14.032  28.884   1.497
  617    HB2  LEU  85           HB2      LEU  85 -11.813  28.178   0.792
  618    HB3  LEU  85           HB3      LEU  85 -12.210  26.482   1.060
  619    HG   LEU  85           HG       LEU  85 -13.862  26.554  -0.798
  620   HD11  LEU  85          HD11      LEU  85 -12.828  29.394  -1.231
  621   HD12  LEU  85          HD12      LEU  85 -13.847  28.480  -2.365
  622   HD13  LEU  85          HD13      LEU  85 -14.489  28.934  -0.787
  623   HD21  LEU  85          HD21      LEU  85 -12.223  26.648  -2.613
  624   HD22  LEU  85          HD22      LEU  85 -11.075  27.507  -1.557
  625   HD23  LEU  85          HD23      LEU  85 -11.552  25.835  -1.193
  626    H    TYR  86           H        TYR  86 -13.903  25.398   2.359
  627    HA   TYR  86           HA       TYR  86 -16.194  24.676   0.837
  628    HB2  TYR  86           HB2      TYR  86 -14.290  23.212   1.707
  629    HB3  TYR  86           HB3      TYR  86 -15.098  23.216   3.270
  630    HD1  TYR  86           HD2      TYR  86 -15.429  22.312  -0.337
  631    HD2  TYR  86           HD1      TYR  86 -16.996  21.719   3.642
  632    HE1  TYR  86           HE2      TYR  86 -16.814  20.450  -1.174
  633    HE2  TYR  86           HE1      TYR  86 -18.385  19.843   2.817
  634    HH   TYR  86           HH       TYR  86 -18.377  18.801  -0.628
  635    H    GLY  87           H        GLY  87 -15.932  26.128   4.025
  636    HA2  GLY  87           HA2      GLY  87 -17.608  27.019   5.311
  637    HA3  GLY  87           HA3      GLY  87 -18.854  26.257   4.304
  638    H    GLU  88           H        GLU  88 -16.178  24.324   5.508
  639    HA   GLU  88           HA       GLU  88 -17.903  22.642   7.166
  640    HB2  GLU  88           HB2      GLU  88 -15.922  21.817   5.813
  641    HB3  GLU  88           HB3      GLU  88 -14.868  22.741   6.877
  642    HG2  GLU  88           HG2      GLU  88 -14.815  20.465   7.586
  643    HG3  GLU  88           HG3      GLU  88 -15.677  21.366   8.819
  644    H    GLU  89           H        GLU  89 -15.603  25.334   7.520
  645    HA   GLU  89           HA       GLU  89 -16.408  25.700  10.348
  646    HB2  GLU  89           HB2      GLU  89 -13.526  25.639   9.356
  647    HB3  GLU  89           HB3      GLU  89 -14.055  26.261  10.925
  648    HG2  GLU  89           HG2      GLU  89 -15.040  24.000  11.437
  649    HG3  GLU  89           HG3      GLU  89 -14.316  23.389   9.947
  650    H    LYS  90           H        LYS  90 -17.834  27.166   9.098
  651    HA   LYS  90           HA       LYS  90 -16.657  29.837   8.942
  652    HB2  LYS  90           HB2      LYS  90 -16.529  28.892   6.614
  653    HB3  LYS  90           HB3      LYS  90 -18.284  28.656   6.653
  654    HG2  LYS  90           HG2      LYS  90 -18.716  31.003   6.680
  655    HG3  LYS  90           HG3      LYS  90 -17.052  31.386   7.147
  656    HD2  LYS  90           HD2      LYS  90 -17.425  31.951   4.795
  657    HD3  LYS  90           HD3      LYS  90 -16.205  30.694   4.986
  658    HE2  LYS  90           HE2      LYS  90 -18.217  29.033   4.574
  659    HE3  LYS  90           HE3      LYS  90 -19.046  30.454   3.931
  660    HZ1  LYS  90           HZ1      LYS  90 -17.884  29.221   2.199
  661    HZ2  LYS  90           HZ2      LYS  90 -17.177  30.685   2.360
  662    HZ3  LYS  90           HZ3      LYS  90 -16.462  29.342   2.999
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -3.416   8.015   1.964
    2    H2   MET   1           H2       MET   1  -4.134   8.485   0.579
    3    H3   MET   1           H3       MET   1  -4.668   7.143   1.370
    4    HA   MET   1           HA       MET   1  -2.594   6.012   0.968
    5    HB2  MET   1           HB2      MET   1  -3.800   7.134  -1.604
    6    HB3  MET   1           HB3      MET   1  -2.712   5.757  -1.504
    7    HG2  MET   1           HG2      MET   1  -5.521   5.936  -0.376
    8    HG3  MET   1           HG3      MET   1  -4.979   4.958  -1.724
    9    HE1  MET   1           HE1      MET   1  -3.821   2.627  -1.542
   10    HE2  MET   1           HE2      MET   1  -2.393   3.443  -0.859
   11    HE3  MET   1           HE3      MET   1  -3.065   2.008  -0.061
   12    H    CYS   2           H        CYS   2  -0.504   5.987  -0.216
   13    HA   CYS   2           HA       CYS   2   1.052   8.149   0.568
   14    HB2  CYS   2           HB2      CYS   2   1.722   6.089  -1.583
   15    HB3  CYS   2           HB3      CYS   2   2.870   7.041  -0.632
   16    HG   CYS   2           HG       CYS   2   2.873   4.567   0.222
   17    H    ILE   3           H        ILE   3  -0.327   7.522  -2.689
   18    HA   ILE   3           HA       ILE   3   0.225  10.297  -3.476
   19    HB   ILE   3           HB       ILE   3   1.093   9.617  -5.681
   20   HG12  ILE   3          HG12      ILE   3   1.234   6.801  -4.516
   21   HG13  ILE   3          HG13      ILE   3   0.291   7.351  -5.905
   22   HG21  ILE   3          HG21      ILE   3   2.924   8.604  -3.483
   23   HG22  ILE   3          HG22      ILE   3   3.374   9.355  -5.027
   24   HG23  ILE   3          HG23      ILE   3   2.581  10.322  -3.790
   25   HD11  ILE   3          HD11      ILE   3   2.499   7.926  -7.046
   26   HD12  ILE   3          HD12      ILE   3   3.314   7.079  -5.713
   27   HD13  ILE   3          HD13      ILE   3   2.202   6.196  -6.763
   28    H    GLY   4           H        GLY   4  -1.178  11.031  -5.027
   29    HA2  GLY   4           HA2      GLY   4  -3.334   9.645  -6.286
   30    HA3  GLY   4           HA3      GLY   4  -3.843  10.308  -4.716
   31    H    VAL   5           H        VAL   5  -1.555  11.427  -7.290
   32    HA   VAL   5           HA       VAL   5  -2.879  14.049  -7.442
   33    HB   VAL   5           HB       VAL   5  -0.707  15.199  -6.908
   34   HG11  VAL   5          HG11      VAL   5  -0.910  15.164  -4.525
   35   HG12  VAL   5          HG12      VAL   5  -2.530  15.019  -5.223
   36   HG13  VAL   5          HG13      VAL   5  -1.722  13.590  -4.544
   37   HG21  VAL   5          HG21      VAL   5   0.225  12.528  -5.785
   38   HG22  VAL   5          HG22      VAL   5   0.852  13.322  -7.246
   39   HG23  VAL   5          HG23      VAL   5   1.052  14.091  -5.670
   40    HA   PRO   6           HA       PRO   6  -1.309  14.038 -11.623
   41    HB2  PRO   6           HB2      PRO   6  -0.076  16.730 -11.033
   42    HB3  PRO   6           HB3      PRO   6  -1.054  16.224 -12.446
   43    HG2  PRO   6           HG2      PRO   6  -2.174  17.680 -10.448
   44    HG3  PRO   6           HG3      PRO   6  -3.070  16.310 -11.172
   45    HD2  PRO   6           HD2      PRO   6  -1.510  16.396  -8.586
   46    HD3  PRO   6           HD3      PRO   6  -3.103  15.651  -8.919
   47    H    GLY   7           H        GLY   7   0.570  13.728 -12.853
   48    HA2  GLY   7           HA2      GLY   7   3.206  14.508 -11.971
   49    HA3  GLY   7           HA3      GLY   7   2.941  12.747 -11.996
   50    H    GLN   8           H        GLN   8   4.796  13.751 -13.763
   51    HA   GLN   8           HA       GLN   8   3.386  13.897 -16.399
   52    HB2  GLN   8           HB2      GLN   8   4.607  15.983 -15.655
   53    HB3  GLN   8           HB3      GLN   8   6.114  15.059 -15.735
   54    HG2  GLN   8           HG2      GLN   8   5.725  14.626 -18.149
   55    HG3  GLN   8           HG3      GLN   8   4.148  15.412 -18.042
   56   HE21  GLN   8          HE22      GLN   8   4.757  16.869 -19.742
   57   HE22  GLN   8          HE21      GLN   8   5.823  18.225 -19.418
   58    H    ILE   9           H        ILE   9   3.959  12.425 -17.911
   59    HA   ILE   9           HA       ILE   9   5.388  10.060 -17.044
   60    HB   ILE   9           HB       ILE   9   4.097  10.761 -19.711
   61   HG12  ILE   9          HG12      ILE   9   2.963   9.192 -17.343
   62   HG13  ILE   9          HG13      ILE   9   2.487  10.829 -17.782
   63   HG21  ILE   9          HG21      ILE   9   5.750   8.844 -19.797
   64   HG22  ILE   9          HG22      ILE   9   4.792   8.017 -18.554
   65   HG23  ILE   9          HG23      ILE   9   4.103   8.355 -20.156
   66   HD11  ILE   9          HD11      ILE   9   1.633  10.023 -19.948
   67   HD12  ILE   9          HD12      ILE   9   1.983   8.345 -19.451
   68   HD13  ILE   9          HD13      ILE   9   0.807   9.310 -18.555
   69    H    ARG  10           H        ARG  10   7.405  11.238 -16.628
   70    HA   ARG  10           HA       ARG  10   8.798  12.578 -18.697
   71    HB2  ARG  10           HB2      ARG  10   9.069  13.027 -16.298
   72    HB3  ARG  10           HB3      ARG  10   9.733  11.426 -16.039
   73    HG2  ARG  10           HG2      ARG  10  11.476  13.077 -15.964
   74    HG3  ARG  10           HG3      ARG  10  11.758  12.032 -17.345
   75    HD2  ARG  10           HD2      ARG  10  10.385  14.752 -17.555
   76    HD3  ARG  10           HD3      ARG  10  12.142  14.545 -17.659
   77    HE   ARG  10           HE       ARG  10  11.122  12.745 -19.496
   78   HH11  ARG  10          HH11      ARG  10  10.988  16.275 -19.111
   79   HH12  ARG  10          HH12      ARG  10  10.790  16.589 -20.795
   80   HH21  ARG  10          HH21      ARG  10  10.877  13.148 -21.708
   81   HH22  ARG  10          HH22      ARG  10  10.733  14.756 -22.315
   82    H    THR  11           H        THR  11   8.852   9.126 -17.748
   83    HA   THR  11           HA       THR  11  10.364   8.563 -20.204
   84    HB   THR  11           HB       THR  11  11.250   7.280 -17.610
   85    HG1  THR  11           HG1      THR  11  12.316   9.656 -18.718
   86   HG21  THR  11          HG21      THR  11  12.052   6.164 -19.614
   87   HG22  THR  11          HG22      THR  11  12.662   7.701 -20.274
   88   HG23  THR  11          HG23      THR  11  13.401   6.982 -18.825
   89    H    ILE  12           H        ILE  12  10.123   6.237 -20.777
   90    HA   ILE  12           HA       ILE  12   7.898   4.811 -19.437
   91    HB   ILE  12           HB       ILE  12   8.131   5.365 -22.425
   92   HG12  ILE  12          HG12      ILE  12   6.067   6.268 -20.366
   93   HG13  ILE  12          HG13      ILE  12   7.223   7.295 -21.216
   94   HG21  ILE  12          HG21      ILE  12   6.078   4.049 -22.693
   95   HG22  ILE  12          HG22      ILE  12   7.318   3.052 -21.992
   96   HG23  ILE  12          HG23      ILE  12   6.032   3.702 -20.947
   97   HD11  ILE  12          HD11      ILE  12   6.092   6.706 -23.384
   98   HD12  ILE  12          HD12      ILE  12   4.819   5.898 -22.427
   99   HD13  ILE  12          HD13      ILE  12   5.104   7.626 -22.234
  100    H    ASP  13           H        ASP  13   8.181   2.523 -19.564
  101    HA   ASP  13           HA       ASP  13  10.769   1.572 -20.742
  102    HB2  ASP  13           HB2      ASP  13  10.980   1.912 -18.321
  103    HB3  ASP  13           HB3      ASP  13   9.552   0.913 -18.039
  104    H    GLY  14           H        GLY  14   7.340   1.019 -20.277
  105    HA2  GLY  14           HA2      GLY  14   7.046  -0.902 -22.299
  106    HA3  GLY  14           HA3      GLY  14   7.164  -1.767 -20.744
  107    H    ASN  15           H        ASN  15   4.971  -2.248 -20.283
  108    HA   ASN  15           HA       ASN  15   2.847  -0.294 -20.548
  109    HB2  ASN  15           HB2      ASN  15   2.566  -2.836 -20.273
  110    HB3  ASN  15           HB3      ASN  15   2.870  -2.575 -18.547
  111   HD21  ASN  15          HD21      ASN  15   1.086  -1.838 -17.256
  112   HD22  ASN  15          HD22      ASN  15  -0.446  -1.408 -17.962
  113    H    GLN  16           H        GLN  16   5.516  -0.578 -18.420
  114    HA   GLN  16           HA       GLN  16   4.295   1.143 -16.336
  115    HB2  GLN  16           HB2      GLN  16   6.838  -0.540 -16.367
  116    HB3  GLN  16           HB3      GLN  16   6.368   0.554 -15.056
  117    HG2  GLN  16           HG2      GLN  16   4.368  -0.728 -14.589
  118    HG3  GLN  16           HG3      GLN  16   4.629  -1.768 -15.995
  119   HE21  GLN  16          HE22      GLN  16   6.211  -0.754 -12.895
  120   HE22  GLN  16          HE21      GLN  16   6.922  -2.329 -12.593
  121    H    ALA  17           H        ALA  17   5.415   3.006 -15.708
  122    HA   ALA  17           HA       ALA  17   7.434   4.134 -17.546
  123    HB1  ALA  17           HB1      ALA  17   6.023   6.224 -17.663
  124    HB2  ALA  17           HB2      ALA  17   5.257   4.833 -18.451
  125    HB3  ALA  17           HB3      ALA  17   4.720   5.358 -16.834
  126    H    LYS  18           H        LYS  18   8.361   6.129 -16.622
  127    HA   LYS  18           HA       LYS  18   8.463   6.007 -13.629
  128    HB2  LYS  18           HB2      LYS  18  10.624   6.389 -15.697
  129    HB3  LYS  18           HB3      LYS  18  10.740   7.238 -14.163
  130    HG2  LYS  18           HG2      LYS  18  11.989   5.175 -14.081
  131    HG3  LYS  18           HG3      LYS  18  10.689   5.199 -12.889
  132    HD2  LYS  18           HD2      LYS  18   9.345   3.669 -14.232
  133    HD3  LYS  18           HD3      LYS  18  10.527   3.738 -15.565
  134    HE2  LYS  18           HE2      LYS  18  12.240   2.718 -14.126
  135    HE3  LYS  18           HE3      LYS  18  11.147   2.766 -12.736
  136    HZ1  LYS  18           HZ1      LYS  18   9.694   1.209 -13.861
  137    HZ2  LYS  18           HZ2      LYS  18  10.689   1.149 -15.176
  138    HZ3  LYS  18           HZ3      LYS  18  11.199   0.577 -13.734
  139    H    VAL  19           H        VAL  19   6.764   7.340 -13.320
  140    HA   VAL  19           HA       VAL  19   6.455   9.805 -14.909
  141    HB   VAL  19           HB       VAL  19   4.734   8.579 -12.707
  142   HG11  VAL  19          HG11      VAL  19   2.947  10.007 -13.515
  143   HG12  VAL  19          HG12      VAL  19   4.333  11.023 -13.115
  144   HG13  VAL  19          HG13      VAL  19   3.958  10.635 -14.813
  145   HG21  VAL  19          HG21      VAL  19   3.244   7.810 -14.565
  146   HG22  VAL  19          HG22      VAL  19   4.470   8.329 -15.741
  147   HG23  VAL  19          HG23      VAL  19   4.818   7.017 -14.607
  148    H    ASP  20           H        ASP  20   7.084  11.785 -14.067
  149    HA   ASP  20           HA       ASP  20   8.360  11.971 -11.409
  150    HB2  ASP  20           HB2      ASP  20   9.352  13.347 -13.103
  151    HB3  ASP  20           HB3      ASP  20   7.777  13.963 -13.620
  152    H    VAL  21           H        VAL  21   6.984  11.861  -9.719
  153    HA   VAL  21           HA       VAL  21   4.227  12.926 -10.068
  154    HB   VAL  21           HB       VAL  21   5.232  11.269  -7.742
  155   HG11  VAL  21          HG11      VAL  21   2.833  10.893  -7.350
  156   HG12  VAL  21          HG12      VAL  21   3.208  12.619  -7.280
  157   HG13  VAL  21          HG13      VAL  21   2.427  11.943  -8.727
  158   HG21  VAL  21          HG21      VAL  21   3.972   9.407  -8.842
  159   HG22  VAL  21          HG22      VAL  21   3.828  10.425 -10.296
  160   HG23  VAL  21          HG23      VAL  21   5.417   9.886  -9.729
  161    H    CYS  22           H        CYS  22   5.410  14.916 -10.392
  162    HA   CYS  22           HA       CYS  22   6.167  16.951  -9.834
  163    HB2  CYS  22           HB2      CYS  22   4.031  16.641  -7.690
  164    HB3  CYS  22           HB3      CYS  22   4.653  18.163  -8.355
  165    HG   CYS  22           HG       CYS  22   2.859  15.750  -9.734
  166    H    GLY  23           H        GLY  23   8.132  15.349  -8.942
  167    HA2  GLY  23           HA2      GLY  23   9.516  17.041  -7.267
  168    HA3  GLY  23           HA3      GLY  23   8.846  15.825  -6.166
  169    H    ILE  24           H        ILE  24   8.960  13.553  -7.905
  170    HA   ILE  24           HA       ILE  24  11.575  13.237  -8.987
  171    HB   ILE  24           HB       ILE  24  12.053  13.068  -6.550
  172   HG12  ILE  24          HG12      ILE  24  12.556  10.433  -7.979
  173   HG13  ILE  24          HG13      ILE  24  13.420  11.939  -8.321
  174   HG21  ILE  24          HG21      ILE  24   9.950  12.036  -5.776
  175   HG22  ILE  24          HG22      ILE  24  10.431  10.506  -6.557
  176   HG23  ILE  24          HG23      ILE  24  11.366  11.170  -5.204
  177   HD11  ILE  24          HD11      ILE  24  13.447  10.400  -5.695
  178   HD12  ILE  24          HD12      ILE  24  14.768  10.585  -6.856
  179   HD13  ILE  24          HD13      ILE  24  14.199  11.996  -5.941
  180    H    GLN  25           H        GLN  25  11.764  11.120 -10.027
  181    HA   GLN  25           HA       GLN  25   9.264  10.219 -11.138
  182    HB2  GLN  25           HB2      GLN  25  12.121   9.259 -11.454
  183    HB3  GLN  25           HB3      GLN  25  10.736   8.510 -12.261
  184    HG2  GLN  25           HG2      GLN  25  10.153  10.668 -13.330
  185    HG3  GLN  25           HG3      GLN  25  11.526  11.445 -12.549
  186   HE21  GLN  25          HE22      GLN  25  10.498   9.439 -15.241
  187   HE22  GLN  25          HE21      GLN  25  12.048   9.381 -16.042
  188    H    ARG  26           H        ARG  26   8.051   8.530 -10.669
  189    HA   ARG  26           HA       ARG  26   9.007   6.432  -8.757
  190    HB2  ARG  26           HB2      ARG  26   6.229   7.707  -8.985
  191    HB3  ARG  26           HB3      ARG  26   6.500   6.123  -8.292
  192    HG2  ARG  26           HG2      ARG  26   6.251   7.587  -6.505
  193    HG3  ARG  26           HG3      ARG  26   7.951   7.113  -6.525
  194    HD2  ARG  26           HD2      ARG  26   8.650   9.262  -7.249
  195    HD3  ARG  26           HD3      ARG  26   7.032   9.681  -7.837
  196    HE   ARG  26           HE       ARG  26   7.072   9.164  -4.988
  197   HH11  ARG  26          HH21      ARG  26   7.812  11.681  -7.351
  198   HH12  ARG  26          HH22      ARG  26   6.947  12.929  -6.486
  199   HH21  ARG  26          HH11      ARG  26   6.342  10.893  -3.644
  200   HH22  ARG  26          HH12      ARG  26   6.413  12.518  -4.202
  201    H    ASP  27           H        ASP  27   8.320   4.304  -9.429
  202    HA   ASP  27           HA       ASP  27   7.705   3.997 -12.273
  203    HB2  ASP  27           HB2      ASP  27   9.072   2.321 -11.073
  204    HB3  ASP  27           HB3      ASP  27   7.698   1.947 -10.022
  205    H    VAL  28           H        VAL  28   5.672   3.710 -13.135
  206    HA   VAL  28           HA       VAL  28   3.338   3.298 -11.359
  207    HB   VAL  28           HB       VAL  28   3.559   5.384 -13.580
  208   HG11  VAL  28          HG11      VAL  28   1.264   4.803 -11.672
  209   HG12  VAL  28          HG12      VAL  28   1.316   6.110 -12.875
  210   HG13  VAL  28          HG13      VAL  28   1.287   4.431 -13.410
  211   HG21  VAL  28          HG21      VAL  28   3.416   5.765 -10.559
  212   HG22  VAL  28          HG22      VAL  28   4.745   6.242 -11.635
  213   HG23  VAL  28          HG23      VAL  28   3.195   7.061 -11.757
  214    H    ASP  29           H        ASP  29   2.014   1.720 -12.251
  215    HA   ASP  29           HA       ASP  29   2.670   0.713 -14.968
  216    HB2  ASP  29           HB2      ASP  29   2.222  -0.928 -13.159
  217    HB3  ASP  29           HB3      ASP  29   0.578  -0.284 -13.009
  218    H    LEU  30           H        LEU  30   1.587   1.396 -16.719
  219    HA   LEU  30           HA       LEU  30  -0.397   3.520 -16.347
  220    HB2  LEU  30           HB2      LEU  30   0.918   2.428 -18.865
  221    HB3  LEU  30           HB3      LEU  30  -0.147   3.815 -18.802
  222    HG   LEU  30           HG       LEU  30   2.598   3.610 -17.504
  223   HD11  LEU  30          HD11      LEU  30   2.675   3.973 -19.892
  224   HD12  LEU  30          HD12      LEU  30   1.480   5.291 -19.788
  225   HD13  LEU  30          HD13      LEU  30   3.097   5.489 -19.086
  226   HD21  LEU  30          HD21      LEU  30   1.253   4.961 -15.997
  227   HD22  LEU  30          HD22      LEU  30   2.290   6.033 -16.926
  228   HD23  LEU  30          HD23      LEU  30   0.575   5.891 -17.361
  229    H    THR  31           H        THR  31  -1.381   1.048 -15.468
  230    HA   THR  31           HA       THR  31  -2.556  -0.724 -17.086
  231    HB   THR  31           HB       THR  31  -4.163   0.182 -14.716
  232    HG1  THR  31           HG1      THR  31  -1.526  -0.812 -14.516
  233   HG21  THR  31          HG21      THR  31  -4.677  -1.974 -15.786
  234   HG22  THR  31          HG22      THR  31  -3.011  -2.526 -15.500
  235   HG23  THR  31          HG23      THR  31  -4.097  -2.201 -14.128
  236    H    LEU  32           H        LEU  32  -4.054   2.433 -16.265
  237    HA   LEU  32           HA       LEU  32  -6.516   1.603 -17.705
  238    HB2  LEU  32           HB2      LEU  32  -6.152   3.986 -15.879
  239    HB3  LEU  32           HB3      LEU  32  -7.656   3.276 -16.436
  240    HG   LEU  32           HG       LEU  32  -5.690   1.986 -14.492
  241   HD11  LEU  32          HD11      LEU  32  -8.481   3.109 -14.040
  242   HD12  LEU  32          HD12      LEU  32  -7.451   2.306 -12.829
  243   HD13  LEU  32          HD13      LEU  32  -6.950   3.849 -13.529
  244   HD21  LEU  32          HD21      LEU  32  -8.388   0.963 -15.482
  245   HD22  LEU  32          HD22      LEU  32  -6.804   0.233 -15.818
  246   HD23  LEU  32          HD23      LEU  32  -7.425   0.251 -14.167
  247    H    VAL  33           H        VAL  33  -3.762   3.089 -18.695
  248    HA   VAL  33           HA       VAL  33  -5.246   5.018 -20.419
  249    HB   VAL  33           HB       VAL  33  -3.607   6.732 -20.077
  250   HG11  VAL  33          HG11      VAL  33  -4.578   5.745 -17.354
  251   HG12  VAL  33          HG12      VAL  33  -4.071   7.382 -17.761
  252   HG13  VAL  33          HG13      VAL  33  -5.526   6.698 -18.517
  253   HG21  VAL  33          HG21      VAL  33  -1.570   5.477 -19.616
  254   HG22  VAL  33          HG22      VAL  33  -1.870   6.622 -18.314
  255   HG23  VAL  33          HG23      VAL  33  -2.232   4.900 -18.069
  256    H    GLY  34           H        GLY  34  -2.520   2.772 -20.050
  257    HA2  GLY  34           HA2      GLY  34  -1.366   1.652 -21.656
  258    HA3  GLY  34           HA3      GLY  34  -2.258   2.490 -22.936
  259    H    SER  35           H        SER  35   0.640   2.007 -22.688
  260    HA   SER  35           HA       SER  35   1.931   4.450 -21.974
  261    HB2  SER  35           HB2      SER  35   2.972   2.152 -23.665
  262    HB3  SER  35           HB3      SER  35   3.923   3.333 -22.733
  263    HG   SER  35           HG       SER  35   3.766   1.562 -21.463
  264    H    CYS  36           H        CYS  36   0.064   3.856 -24.717
  265    HA   CYS  36           HA       CYS  36   1.416   6.060 -26.159
  266    HB2  CYS  36           HB2      CYS  36   0.164   3.590 -27.435
  267    HB3  CYS  36           HB3      CYS  36   0.753   5.020 -28.298
  268    HG   CYS  36           HG       CYS  36   2.458   3.061 -28.604
  269    H    ASP  37           H        ASP  37  -0.013   7.396 -27.329
  270    HA   ASP  37           HA       ASP  37  -2.615   7.694 -26.006
  271    HB2  ASP  37           HB2      ASP  37  -0.845   9.544 -26.475
  272    HB3  ASP  37           HB3      ASP  37  -1.439   9.487 -28.139
  273    H    GLU  38           H        GLU  38  -4.396   8.588 -27.596
  274    HA   GLU  38           HA       GLU  38  -5.404   6.435 -29.023
  275    HB2  GLU  38           HB2      GLU  38  -6.603   8.463 -28.089
  276    HB3  GLU  38           HB3      GLU  38  -6.015   9.389 -29.469
  277    HG2  GLU  38           HG2      GLU  38  -8.286   8.747 -29.897
  278    HG3  GLU  38           HG3      GLU  38  -7.263   7.847 -31.003
  279    H    ASN  39           H        ASN  39  -3.407   9.124 -30.278
  280    HA   ASN  39           HA       ASN  39  -3.719   8.244 -33.057
  281    HB2  ASN  39           HB2      ASN  39  -2.578  10.150 -33.691
  282    HB3  ASN  39           HB3      ASN  39  -3.508  10.699 -32.304
  283   HD21  ASN  39          HD22      ASN  39  -0.915  11.722 -33.531
  284   HD22  ASN  39          HD21      ASN  39   0.219  11.739 -32.206
  285    H    GLY  40           H        GLY  40  -1.901   7.027 -30.534
  286    HA2  GLY  40           HA2      GLY  40  -0.520   5.211 -30.749
  287    HA3  GLY  40           HA3      GLY  40  -0.133   5.644 -32.416
  288    H    GLN  41           H        GLN  41   0.371   8.496 -30.641
  289    HA   GLN  41           HA       GLN  41   3.249   8.155 -30.736
  290    HB2  GLN  41           HB2      GLN  41   3.410  10.377 -29.949
  291    HB3  GLN  41           HB3      GLN  41   2.001  10.352 -31.004
  292    HG2  GLN  41           HG2      GLN  41   0.596  10.077 -28.856
  293    HG3  GLN  41           HG3      GLN  41   2.060  10.438 -27.955
  294   HE21  GLN  41          HE22      GLN  41  -0.507  11.738 -29.900
  295   HE22  GLN  41          HE21      GLN  41  -0.069  13.436 -29.741
  296    HA   PRO  42           HA       PRO  42   3.619   6.425 -26.549
  297    HB2  PRO  42           HB2      PRO  42   6.116   7.304 -25.798
  298    HB3  PRO  42           HB3      PRO  42   5.843   5.949 -26.934
  299    HG2  PRO  42           HG2      PRO  42   6.476   8.837 -27.589
  300    HG3  PRO  42           HG3      PRO  42   7.188   7.356 -28.298
  301    HD2  PRO  42           HD2      PRO  42   5.182   8.763 -29.514
  302    HD3  PRO  42           HD3      PRO  42   5.290   6.982 -29.642
  303    H    ARG  43           H        ARG  43   3.052   7.267 -24.491
  304    HA   ARG  43           HA       ARG  43   2.083   9.960 -24.502
  305    HB2  ARG  43           HB2      ARG  43   2.263   7.937 -22.222
  306    HB3  ARG  43           HB3      ARG  43   1.423   9.487 -22.147
  307    HG2  ARG  43           HG2      ARG  43   0.039   8.700 -24.165
  308    HG3  ARG  43           HG3      ARG  43   0.646   7.083 -23.777
  309    HD2  ARG  43           HD2      ARG  43  -0.156   7.368 -21.425
  310    HD3  ARG  43           HD3      ARG  43  -0.814   8.952 -21.845
  311    HE   ARG  43           HE       ARG  43  -1.864   6.303 -22.475
  312   HH11  ARG  43          HH11      ARG  43  -1.984   9.740 -23.503
  313   HH12  ARG  43          HH12      ARG  43  -3.453   9.513 -24.410
  314   HH21  ARG  43          HH21      ARG  43  -3.919   6.151 -23.381
  315   HH22  ARG  43          HH22      ARG  43  -4.676   7.503 -24.179
  316    H    VAL  44           H        VAL  44   5.211   9.562 -24.474
  317    HA   VAL  44           HA       VAL  44   6.115  10.432 -21.926
  318    HB   VAL  44           HB       VAL  44   7.538   9.286 -23.505
  319   HG11  VAL  44          HG11      VAL  44   6.766  10.285 -25.648
  320   HG12  VAL  44          HG12      VAL  44   7.589  11.798 -25.221
  321   HG13  VAL  44          HG13      VAL  44   8.524  10.312 -25.467
  322   HG21  VAL  44          HG21      VAL  44   8.557  10.678 -21.754
  323   HG22  VAL  44          HG22      VAL  44   9.570  10.593 -23.203
  324   HG23  VAL  44          HG23      VAL  44   8.620  12.057 -22.874
  325    H    GLY  45           H        GLY  45   6.159  12.384 -20.991
  326    HA2  GLY  45           HA2      GLY  45   6.175  14.693 -20.787
  327    HA3  GLY  45           HA3      GLY  45   5.868  14.877 -22.514
  328    H    GLN  46           H        GLN  46   3.460  12.761 -21.861
  329    HA   GLN  46           HA       GLN  46   1.442  14.833 -21.385
  330    HB2  GLN  46           HB2      GLN  46   1.150  11.794 -21.479
  331    HB3  GLN  46           HB3      GLN  46  -0.162  12.972 -21.420
  332    HG2  GLN  46           HG2      GLN  46   0.715  13.975 -23.554
  333    HG3  GLN  46           HG3      GLN  46   1.848  12.632 -23.688
  334   HE21  GLN  46          HE22      GLN  46  -0.018  13.235 -25.689
  335   HE22  GLN  46          HE21      GLN  46  -1.272  12.020 -25.767
  336    H    TRP  47           H        TRP  47  -0.177  14.418 -19.525
  337    HA   TRP  47           HA       TRP  47   1.367  13.797 -17.051
  338    HB2  TRP  47           HB2      TRP  47  -0.809  15.847 -17.535
  339    HB3  TRP  47           HB3      TRP  47  -0.221  15.377 -15.948
  340    HD1  TRP  47           HD1      TRP  47   1.222  16.863 -19.202
  341    HE1  TRP  47           HE1      TRP  47   3.000  18.613 -18.613
  342    HE3  TRP  47           HE3      TRP  47   1.319  16.222 -14.126
  343    HZ2  TRP  47           HZ2      TRP  47   4.307  19.603 -16.229
  344    HZ3  TRP  47           HZ3      TRP  47   2.845  17.578 -12.722
  345    HH2  TRP  47           HH2      TRP  47   4.336  19.275 -13.757
  346    H    VAL  48           H        VAL  48   0.071  12.996 -15.256
  347    HA   VAL  48           HA       VAL  48  -2.407  11.589 -15.936
  348    HB   VAL  48           HB       VAL  48  -0.669  10.189 -16.919
  349   HG11  VAL  48          HG11      VAL  48   0.653  10.059 -14.189
  350   HG12  VAL  48          HG12      VAL  48   1.113   9.115 -15.617
  351   HG13  VAL  48          HG13      VAL  48   1.313  10.871 -15.618
  352   HG21  VAL  48          HG21      VAL  48  -2.545   9.008 -15.898
  353   HG22  VAL  48          HG22      VAL  48  -1.044   8.080 -15.816
  354   HG23  VAL  48          HG23      VAL  48  -1.655   8.893 -14.359
  355    H    LEU  49           H        LEU  49  -3.560  11.071 -14.118
  356    HA   LEU  49           HA       LEU  49  -2.670  12.130 -11.500
  357    HB2  LEU  49           HB2      LEU  49  -5.147  10.585 -12.403
  358    HB3  LEU  49           HB3      LEU  49  -4.870  11.153 -10.756
  359    HG   LEU  49           HG       LEU  49  -5.203  12.910 -13.226
  360   HD11  LEU  49          HD11      LEU  49  -7.385  13.470 -12.270
  361   HD12  LEU  49          HD12      LEU  49  -7.258  11.721 -12.529
  362   HD13  LEU  49          HD13      LEU  49  -7.089  12.386 -10.891
  363   HD21  LEU  49          HD21      LEU  49  -4.916  13.670 -10.280
  364   HD22  LEU  49          HD22      LEU  49  -3.785  14.056 -11.600
  365   HD23  LEU  49          HD23      LEU  49  -5.393  14.782 -11.584
  366    H    VAL  50           H        VAL  50  -1.202  10.858 -10.425
  367    HA   VAL  50           HA       VAL  50  -1.178   7.928 -10.952
  368    HB   VAL  50           HB       VAL  50   0.787   9.702  -9.423
  369   HG11  VAL  50          HG11      VAL  50   0.782   7.344  -8.656
  370   HG12  VAL  50          HG12      VAL  50   0.962   6.789 -10.328
  371   HG13  VAL  50          HG13      VAL  50   2.261   7.718  -9.540
  372   HG21  VAL  50          HG21      VAL  50   0.884   8.562 -12.252
  373   HG22  VAL  50          HG22      VAL  50   0.898  10.280 -11.782
  374   HG23  VAL  50          HG23      VAL  50   2.279   9.249 -11.399
  375    H    HIS  51           H        HIS  51  -2.006   6.559  -9.411
  376    HA   HIS  51           HA       HIS  51  -2.335   7.523  -6.648
  377    HB2  HIS  51           HB2      HIS  51  -4.447   8.044  -7.932
  378    HB3  HIS  51           HB3      HIS  51  -4.600   6.328  -8.300
  379    HD1  HIS  51           HD1      HIS  51  -3.723   7.644  -4.729
  380    HD2  HIS  51           HD2      HIS  51  -6.864   5.981  -7.009
  381    HE1  HIS  51           HE1      HIS  51  -5.627   7.159  -3.109
  382    H    VAL  52           H        VAL  52  -1.774   5.893  -5.266
  383    HA   VAL  52           HA       VAL  52  -0.715   4.007  -4.647
  384    HB   VAL  52           HB       VAL  52  -2.995   2.448  -5.873
  385   HG11  VAL  52          HG11      VAL  52  -1.662   2.393  -3.120
  386   HG12  VAL  52          HG12      VAL  52  -2.938   1.293  -3.688
  387   HG13  VAL  52          HG13      VAL  52  -1.342   1.249  -4.434
  388   HG21  VAL  52          HG21      VAL  52  -4.167   4.403  -5.085
  389   HG22  VAL  52          HG22      VAL  52  -4.420   3.113  -3.923
  390   HG23  VAL  52          HG23      VAL  52  -3.253   4.405  -3.555
  391    H    GLY  53           H        GLY  53   0.439   4.873  -7.070
  392    HA2  GLY  53           HA2      GLY  53   2.107   4.109  -8.431
  393    HA3  GLY  53           HA3      GLY  53   1.885   2.493  -7.757
  394    H    PHE  54           H        PHE  54  -1.020   3.860  -9.209
  395    HA   PHE  54           HA       PHE  54  -0.300   2.753 -11.854
  396    HB2  PHE  54           HB2      PHE  54  -2.411   1.726 -12.168
  397    HB3  PHE  54           HB3      PHE  54  -1.680   1.062 -10.726
  398    HD1  PHE  54           HD2      PHE  54  -4.434   3.137 -12.065
  399    HD2  PHE  54           HD1      PHE  54  -2.716   1.408  -8.508
  400    HE1  PHE  54           HE2      PHE  54  -6.514   3.638 -10.818
  401    HE2  PHE  54           HE1      PHE  54  -4.821   1.875  -7.276
  402    HZ   PHE  54           HZ       PHE  54  -6.714   3.010  -8.420
  403    H    ALA  55           H        ALA  55  -1.711   3.601 -13.570
  404    HA   ALA  55           HA       ALA  55  -1.962   6.521 -13.313
  405    HB1  ALA  55           HB1      ALA  55  -2.410   4.550 -15.608
  406    HB2  ALA  55           HB2      ALA  55  -2.581   6.305 -15.746
  407    HB3  ALA  55           HB3      ALA  55  -0.994   5.605 -15.353
  408    H    MET  56           H        MET  56  -3.824   7.275 -12.347
  409    HA   MET  56           HA       MET  56  -6.279   5.713 -12.334
  410    HB2  MET  56           HB2      MET  56  -5.553   7.183 -10.450
  411    HB3  MET  56           HB3      MET  56  -5.769   8.595 -11.485
  412    HG2  MET  56           HG2      MET  56  -7.692   8.348 -10.063
  413    HG3  MET  56           HG3      MET  56  -8.176   8.038 -11.729
  414    HE1  MET  56           HE1      MET  56 -10.591   5.746  -9.666
  415    HE2  MET  56           HE2      MET  56  -9.982   7.353  -9.215
  416    HE3  MET  56           HE3      MET  56 -10.458   7.021 -10.897
  417    H    SER  57           H        SER  57  -5.235   8.844 -13.872
  418    HA   SER  57           HA       SER  57  -6.871   8.267 -16.242
  419    HB2  SER  57           HB2      SER  57  -7.240  10.885 -14.723
  420    HB3  SER  57           HB3      SER  57  -8.139  10.319 -16.133
  421    HG   SER  57           HG       SER  57  -8.948   8.611 -14.739
  422    H    VAL  58           H        VAL  58  -5.910   9.249 -18.063
  423    HA   VAL  58           HA       VAL  58  -3.412  10.760 -17.690
  424    HB   VAL  58           HB       VAL  58  -3.487   9.057 -19.403
  425   HG11  VAL  58          HG11      VAL  58  -5.686  10.632 -20.798
  426   HG12  VAL  58          HG12      VAL  58  -4.835   9.213 -21.437
  427   HG13  VAL  58          HG13      VAL  58  -5.876   9.043 -20.024
  428   HG21  VAL  58          HG21      VAL  58  -2.029  10.947 -19.809
  429   HG22  VAL  58          HG22      VAL  58  -2.679  10.337 -21.325
  430   HG23  VAL  58          HG23      VAL  58  -3.335  11.828 -20.638
  431    H    ILE  59           H        ILE  59  -3.225  13.006 -18.226
  432    HA   ILE  59           HA       ILE  59  -5.700  14.497 -18.796
  433    HB   ILE  59           HB       ILE  59  -5.419  16.003 -16.953
  434   HG12  ILE  59          HG12      ILE  59  -3.111  14.261 -16.000
  435   HG13  ILE  59          HG13      ILE  59  -3.009  15.918 -16.616
  436   HG21  ILE  59          HG21      ILE  59  -6.848  13.968 -16.684
  437   HG22  ILE  59          HG22      ILE  59  -5.515  13.200 -15.790
  438   HG23  ILE  59          HG23      ILE  59  -6.297  14.669 -15.169
  439   HD11  ILE  59          HD11      ILE  59  -2.859  15.978 -14.219
  440   HD12  ILE  59          HD12      ILE  59  -4.419  16.690 -14.705
  441   HD13  ILE  59          HD13      ILE  59  -4.341  15.046 -14.029
  442    H    ASN  60           H        ASN  60  -5.253  16.751 -19.331
  443    HA   ASN  60           HA       ASN  60  -2.932  16.970 -21.076
  444    HB2  ASN  60           HB2      ASN  60  -5.174  18.903 -20.327
  445    HB3  ASN  60           HB3      ASN  60  -3.884  19.314 -21.444
  446   HD21  ASN  60          HD22      ASN  60  -6.686  17.161 -20.975
  447   HD22  ASN  60          HD21      ASN  60  -6.868  16.768 -22.681
  448    H    GLU  61           H        GLU  61  -1.513  18.888 -21.020
  449    HA   GLU  61           HA       GLU  61  -0.027  19.258 -18.666
  450    HB2  GLU  61           HB2      GLU  61  -0.420  20.919 -21.196
  451    HB3  GLU  61           HB3      GLU  61   0.710  21.408 -19.961
  452    HG2  GLU  61           HG2      GLU  61   1.195  18.612 -20.640
  453    HG3  GLU  61           HG3      GLU  61   1.113  19.572 -22.107
  454    H    ALA  62           H        ALA  62  -2.750  21.173 -19.959
  455    HA   ALA  62           HA       ALA  62  -2.543  23.265 -17.980
  456    HB1  ALA  62           HB1      ALA  62  -3.585  23.624 -20.193
  457    HB2  ALA  62           HB2      ALA  62  -4.874  22.463 -19.788
  458    HB3  ALA  62           HB3      ALA  62  -4.725  23.982 -18.883
  459    H    GLU  63           H        GLU  63  -4.451  20.245 -18.243
  460    HA   GLU  63           HA       GLU  63  -6.185  20.756 -16.006
  461    HB2  GLU  63           HB2      GLU  63  -5.267  18.203 -17.381
  462    HB3  GLU  63           HB3      GLU  63  -6.442  18.219 -16.060
  463    HG2  GLU  63           HG2      GLU  63  -7.950  19.639 -17.369
  464    HG3  GLU  63           HG3      GLU  63  -6.792  19.685 -18.704
  465    H    ALA  64           H        ALA  64  -2.994  19.117 -16.356
  466    HA   ALA  64           HA       ALA  64  -2.797  18.254 -13.653
  467    HB1  ALA  64           HB1      ALA  64  -0.384  18.149 -14.095
  468    HB2  ALA  64           HB2      ALA  64  -1.304  17.469 -15.455
  469    HB3  ALA  64           HB3      ALA  64  -0.583  19.087 -15.590
  470    H    ARG  65           H        ARG  65  -1.655  21.299 -15.209
  471    HA   ARG  65           HA       ARG  65  -0.565  22.377 -12.782
  472    HB2  ARG  65           HB2      ARG  65  -1.460  23.646 -15.399
  473    HB3  ARG  65           HB3      ARG  65  -0.726  24.580 -14.085
  474    HG2  ARG  65           HG2      ARG  65   1.333  23.357 -14.193
  475    HG3  ARG  65           HG3      ARG  65   0.636  22.114 -15.238
  476    HD2  ARG  65           HD2      ARG  65   0.333  23.800 -17.046
  477    HD3  ARG  65           HD3      ARG  65   1.047  25.031 -16.002
  478    HE   ARG  65           HE       ARG  65   3.118  24.295 -16.567
  479   HH11  ARG  65          HH11      ARG  65   0.890  21.556 -17.231
  480   HH12  ARG  65          HH12      ARG  65   2.120  20.728 -18.182
  481   HH21  ARG  65          HH21      ARG  65   4.635  23.039 -17.876
  482   HH22  ARG  65          HH22      ARG  65   4.068  21.542 -18.581
  483    H    ASP  66           H        ASP  66  -3.831  22.716 -14.279
  484    HA   ASP  66           HA       ASP  66  -4.856  24.533 -12.342
  485    HB2  ASP  66           HB2      ASP  66  -6.005  24.077 -14.444
  486    HB3  ASP  66           HB3      ASP  66  -6.248  22.388 -13.988
  487    H    THR  67           H        THR  67  -4.749  20.931 -12.380
  488    HA   THR  67           HA       THR  67  -6.190  20.596  -9.938
  489    HB   THR  67           HB       THR  67  -4.122  18.766 -11.230
  490    HG1  THR  67           HG1      THR  67  -5.702  19.184 -12.689
  491   HG21  THR  67          HG21      THR  67  -4.674  18.021  -8.952
  492   HG22  THR  67          HG22      THR  67  -6.410  18.168  -9.296
  493   HG23  THR  67          HG23      THR  67  -5.428  16.945 -10.135
  494    H    LEU  68           H        LEU  68  -2.645  20.910 -10.615
  495    HA   LEU  68           HA       LEU  68  -1.841  20.548  -7.889
  496    HB2  LEU  68           HB2      LEU  68  -0.540  21.998 -10.227
  497    HB3  LEU  68           HB3      LEU  68   0.245  21.798  -8.664
  498    HG   LEU  68           HG       LEU  68  -0.697  19.452 -10.362
  499   HD11  LEU  68          HD11      LEU  68   1.037  20.750 -11.540
  500   HD12  LEU  68          HD12      LEU  68   2.099  20.624 -10.118
  501   HD13  LEU  68          HD13      LEU  68   1.630  19.170 -11.029
  502   HD21  LEU  68          HD21      LEU  68   1.166  19.555  -7.957
  503   HD22  LEU  68          HD22      LEU  68  -0.477  18.875  -7.979
  504   HD23  LEU  68          HD23      LEU  68   0.792  18.117  -8.931
  505    H    ASP  69           H        ASP  69  -2.738  23.496  -9.752
  506    HA   ASP  69           HA       ASP  69  -2.192  25.350  -7.655
  507    HB2  ASP  69           HB2      ASP  69  -2.544  26.093  -9.935
  508    HB3  ASP  69           HB3      ASP  69  -4.184  25.442  -9.949
  509    H    ALA  70           H        ALA  70  -5.205  23.526  -8.482
  510    HA   ALA  70           HA       ALA  70  -6.807  24.587  -6.400
  511    HB1  ALA  70           HB1      ALA  70  -6.908  21.808  -7.654
  512    HB2  ALA  70           HB2      ALA  70  -8.192  22.577  -6.705
  513    HB3  ALA  70           HB3      ALA  70  -7.719  23.265  -8.270
  514    H    LEU  71           H        LEU  71  -4.684  21.691  -6.441
  515    HA   LEU  71           HA       LEU  71  -5.073  20.914  -3.737
  516    HB2  LEU  71           HB2      LEU  71  -2.826  20.473  -5.733
  517    HB3  LEU  71           HB3      LEU  71  -2.784  19.757  -4.134
  518    HG   LEU  71           HG       LEU  71  -5.074  19.250  -6.072
  519   HD11  LEU  71          HD11      LEU  71  -3.963  17.087  -6.537
  520   HD12  LEU  71          HD12      LEU  71  -2.967  18.453  -7.059
  521   HD13  LEU  71          HD13      LEU  71  -2.564  17.591  -5.559
  522   HD21  LEU  71          HD21      LEU  71  -4.173  17.800  -3.544
  523   HD22  LEU  71          HD22      LEU  71  -5.638  18.789  -3.715
  524   HD23  LEU  71          HD23      LEU  71  -5.485  17.286  -4.626
  525    H    GLN  72           H        GLN  72  -3.662  23.825  -4.725
  526    HA   GLN  72           HA       GLN  72  -2.169  24.039  -2.156
  527    HB2  GLN  72           HB2      GLN  72  -1.415  25.083  -4.915
  528    HB3  GLN  72           HB3      GLN  72  -0.591  25.553  -3.430
  529    HG2  GLN  72           HG2      GLN  72  -0.738  22.672  -4.421
  530    HG3  GLN  72           HG3      GLN  72   0.575  23.783  -4.762
  531   HE21  GLN  72          HE22      GLN  72  -1.075  21.991  -2.125
  532   HE22  GLN  72          HE21      GLN  72   0.278  22.076  -1.013
  533    H    ASN  73           H        ASN  73  -5.002  24.996  -3.450
  534    HA   ASN  73           HA       ASN  73  -4.945  27.313  -1.679
  535    HB2  ASN  73           HB2      ASN  73  -5.449  29.043  -3.054
  536    HB3  ASN  73           HB3      ASN  73  -4.315  28.173  -4.072
  537   HD21  ASN  73          HD22      ASN  73  -5.347  26.674  -5.777
  538   HD22  ASN  73          HD21      ASN  73  -6.838  27.242  -6.490
  539    H    MET  74           H        MET  74  -6.892  25.139  -3.756
  540    HA   MET  74           HA       MET  74  -9.410  26.240  -3.080
  541    HB2  MET  74           HB2      MET  74  -8.820  24.766  -5.045
  542    HB3  MET  74           HB3      MET  74  -8.751  23.390  -3.940
  543    HG2  MET  74           HG2      MET  74 -10.850  23.437  -5.140
  544    HG3  MET  74           HG3      MET  74 -11.138  23.668  -3.423
  545    HE1  MET  74           HE1      MET  74 -14.056  25.688  -5.065
  546    HE2  MET  74           HE2      MET  74 -13.340  24.163  -5.631
  547    HE3  MET  74           HE3      MET  74 -13.606  24.432  -3.892
  548    H    PHE  75           H        PHE  75  -7.281  24.311  -1.198
  549    HA   PHE  75           HA       PHE  75  -9.423  23.564   0.728
  550    HB2  PHE  75           HB2      PHE  75  -6.781  22.144   0.257
  551    HB3  PHE  75           HB3      PHE  75  -8.139  21.589   1.225
  552    HD1  PHE  75           HD2      PHE  75 -10.338  20.972   0.040
  553    HD2  PHE  75           HD1      PHE  75  -6.662  21.691  -2.101
  554    HE1  PHE  75           HE2      PHE  75 -11.272  19.831  -1.957
  555    HE2  PHE  75           HE1      PHE  75  -7.601  20.551  -4.095
  556    HZ   PHE  75           HZ       PHE  75  -9.907  19.619  -4.027
  557    H    ASP  76           H        ASP  76  -7.626  26.051   0.409
  558    HA   ASP  76           HA       ASP  76  -6.310  26.021   3.091
  559    HB2  ASP  76           HB2      ASP  76  -4.720  25.830   1.171
  560    HB3  ASP  76           HB3      ASP  76  -5.348  27.354   0.541
  561    H    VAL  77           H        VAL  77  -8.885  27.260   1.430
  562    HA   VAL  77           HA       VAL  77  -8.704  30.054   2.259
  563    HB   VAL  77           HB       VAL  77 -11.157  28.499   1.331
  564   HG11  VAL  77          HG11      VAL  77 -11.964  30.725   0.601
  565   HG12  VAL  77          HG12      VAL  77 -11.651  30.707   2.338
  566   HG13  VAL  77          HG13      VAL  77 -10.486  31.478   1.242
  567   HG21  VAL  77          HG21      VAL  77  -9.536  28.226  -0.444
  568   HG22  VAL  77          HG22      VAL  77 -10.690  29.453  -0.947
  569   HG23  VAL  77          HG23      VAL  77  -9.081  29.944  -0.370
  570    H    GLU  78           H        GLU  78 -10.051  27.001   3.415
  571    HA   GLU  78           HA       GLU  78 -11.749  27.970   5.412
  572    HB2  GLU  78           HB2      GLU  78 -10.217  25.340   5.543
  573    HB3  GLU  78           HB3      GLU  78 -11.691  25.783   6.389
  574    HG2  GLU  78           HG2      GLU  78 -12.627  24.603   4.699
  575    HG3  GLU  78           HG3      GLU  78 -12.621  26.172   3.910
  576    HA   PRO  79           HA       PRO  79  -8.245  28.109   8.620
  577    HB2  PRO  79           HB2      PRO  79  -5.600  28.052   7.875
  578    HB3  PRO  79           HB3      PRO  79  -6.542  26.596   8.316
  579    HG2  PRO  79           HG2      PRO  79  -5.991  27.685   5.542
  580    HG3  PRO  79           HG3      PRO  79  -5.796  26.000   6.126
  581    HD2  PRO  79           HD2      PRO  79  -8.017  26.736   4.788
  582    HD3  PRO  79           HD3      PRO  79  -8.129  25.653   6.199
  583    H    ASP  80           H        ASP  80  -8.093  29.662   5.462
  584    HA   ASP  80           HA       ASP  80  -6.580  31.992   6.283
  585    HB2  ASP  80           HB2      ASP  80  -7.204  31.116   3.863
  586    HB3  ASP  80           HB3      ASP  80  -8.663  32.059   4.074
  587    H    VAL  81           H        VAL  81 -10.100  31.361   5.778
  588    HA   VAL  81           HA       VAL  81 -10.859  33.851   6.989
  589    HB   VAL  81           HB       VAL  81 -12.187  32.678   5.285
  590   HG11  VAL  81          HG11      VAL  81 -12.027  30.342   6.052
  591   HG12  VAL  81          HG12      VAL  81 -13.011  30.729   7.478
  592   HG13  VAL  81          HG13      VAL  81 -13.702  30.849   5.849
  593   HG21  VAL  81          HG21      VAL  81 -13.726  33.184   7.858
  594   HG22  VAL  81          HG22      VAL  81 -13.187  34.423   6.704
  595   HG23  VAL  81          HG23      VAL  81 -14.375  33.209   6.205
  596    H    GLY  82           H        GLY  82 -10.373  30.542   8.283
  597    HA2  GLY  82           HA2      GLY  82 -11.435  30.941  10.872
  598    HA3  GLY  82           HA3      GLY  82 -10.093  29.857  10.449
  599    H    ALA  83           H        ALA  83  -8.028  31.417   9.716
  600    HA   ALA  83           HA       ALA  83  -7.011  32.495  12.118
  601    HB1  ALA  83           HB1      ALA  83  -5.629  31.621  10.272
  602    HB2  ALA  83           HB2      ALA  83  -6.156  32.957   9.222
  603    HB3  ALA  83           HB3      ALA  83  -5.169  33.278  10.659
  604    H    LEU  84           H        LEU  84  -8.513  34.145   9.295
  605    HA   LEU  84           HA       LEU  84  -8.102  36.792  10.229
  606    HB2  LEU  84           HB2      LEU  84  -8.765  36.230   7.924
  607    HB3  LEU  84           HB3      LEU  84 -10.321  35.630   8.499
  608    HG   LEU  84           HG       LEU  84 -10.946  37.905   9.260
  609   HD11  LEU  84          HD11      LEU  84  -8.752  38.895   9.746
  610   HD12  LEU  84          HD12      LEU  84  -8.275  38.746   8.038
  611   HD13  LEU  84          HD13      LEU  84  -9.576  39.857   8.520
  612   HD21  LEU  84          HD21      LEU  84 -11.248  38.876   7.024
  613   HD22  LEU  84          HD22      LEU  84 -10.014  37.780   6.362
  614   HD23  LEU  84          HD23      LEU  84 -11.541  37.131   7.000
  615    H    LEU  85           H        LEU  85 -10.863  34.520  10.757
  616    HA   LEU  85           HA       LEU  85 -12.445  36.300  12.299
  617    HB2  LEU  85           HB2      LEU  85 -13.303  34.248  11.252
  618    HB3  LEU  85           HB3      LEU  85 -12.283  33.260  12.295
  619    HG   LEU  85           HG       LEU  85 -13.544  34.016  14.290
  620   HD11  LEU  85          HD11      LEU  85 -14.331  36.234  13.565
  621   HD12  LEU  85          HD12      LEU  85 -15.303  35.493  12.274
  622   HD13  LEU  85          HD13      LEU  85 -15.708  35.217  13.983
  623   HD21  LEU  85          HD21      LEU  85 -14.197  31.971  13.090
  624   HD22  LEU  85          HD22      LEU  85 -15.605  32.774  13.802
  625   HD23  LEU  85          HD23      LEU  85 -15.294  32.912  12.056
  626    H    TYR  86           H        TYR  86  -9.857  33.993  13.262
  627    HA   TYR  86           HA       TYR  86 -10.110  34.453  16.080
  628    HB2  TYR  86           HB2      TYR  86  -7.634  33.635  14.527
  629    HB3  TYR  86           HB3      TYR  86  -7.912  33.406  16.244
  630    HD1  TYR  86           HD2      TYR  86 -10.935  32.383  15.820
  631    HD2  TYR  86           HD1      TYR  86  -7.085  31.312  14.177
  632    HE1  TYR  86           HE2      TYR  86 -11.781  30.127  15.322
  633    HE2  TYR  86           HE1      TYR  86  -7.931  29.045  13.671
  634    HH   TYR  86           HH       TYR  86 -11.300  28.031  14.419
  635    H    GLY  87           H        GLY  87  -9.058  36.634  13.648
  636    HA2  GLY  87           HA2      GLY  87  -8.102  38.690  13.765
  637    HA3  GLY  87           HA3      GLY  87  -8.164  38.610  15.538
  638    H    GLU  88           H        GLU  88  -6.571  36.208  13.443
  639    HA   GLU  88           HA       GLU  88  -3.869  37.152  14.128
  640    HB2  GLU  88           HB2      GLU  88  -4.751  35.648  15.996
  641    HB3  GLU  88           HB3      GLU  88  -4.878  34.349  14.821
  642    HG2  GLU  88           HG2      GLU  88  -2.837  34.090  16.083
  643    HG3  GLU  88           HG3      GLU  88  -2.391  34.510  14.438
  644    H    GLU  89           H        GLU  89  -4.909  37.559  11.808
  645    HA   GLU  89           HA       GLU  89  -5.480  35.580  10.007
  646    HB2  GLU  89           HB2      GLU  89  -5.256  37.248   8.275
  647    HB3  GLU  89           HB3      GLU  89  -6.029  37.924   9.706
  648    HG2  GLU  89           HG2      GLU  89  -3.837  38.961  10.365
  649    HG3  GLU  89           HG3      GLU  89  -3.121  38.340   8.876
  650    H    LYS  90           H        LYS  90  -4.491  34.717   8.167
  651    HA   LYS  90           HA       LYS  90  -2.070  33.372   8.649
  652    HB2  LYS  90           HB2      LYS  90  -3.969  32.646   7.173
  653    HB3  LYS  90           HB3      LYS  90  -3.477  33.872   5.993
  654    HG2  LYS  90           HG2      LYS  90  -1.192  32.716   5.922
  655    HG3  LYS  90           HG3      LYS  90  -1.898  31.414   6.889
  656    HD2  LYS  90           HD2      LYS  90  -2.888  32.378   4.172
  657    HD3  LYS  90           HD3      LYS  90  -1.859  30.966   4.417
  658    HE2  LYS  90           HE2      LYS  90  -3.575  29.718   5.480
  659    HE3  LYS  90           HE3      LYS  90  -4.553  31.159   5.796
  660    HZ1  LYS  90           HZ1      LYS  90  -4.942  31.391   3.451
  661    HZ2  LYS  90           HZ2      LYS  90  -4.050  30.022   3.105
  662    HZ3  LYS  90           HZ3      LYS  90  -5.436  29.889   3.924
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   6.491   4.005  -3.324
    2    H2   MET   1           H2       MET   1   5.385   3.295  -4.302
    3    H3   MET   1           H3       MET   1   5.952   4.781  -4.670
    4    HA   MET   1           HA       MET   1   4.303   4.089  -2.348
    5    HB2  MET   1           HB2      MET   1   6.053   5.952  -2.053
    6    HB3  MET   1           HB3      MET   1   5.104   6.910  -3.187
    7    HG2  MET   1           HG2      MET   1   4.070   5.710  -0.579
    8    HG3  MET   1           HG3      MET   1   4.696   7.343  -0.751
    9    HE1  MET   1           HE1      MET   1   2.569   8.299   0.453
   10    HE2  MET   1           HE2      MET   1   0.903   7.950  -0.060
   11    HE3  MET   1           HE3      MET   1   1.916   6.651   0.608
   12    H    CYS   2           H        CYS   2   2.115   4.127  -2.746
   13    HA   CYS   2           HA       CYS   2   1.192   4.391  -5.476
   14    HB2  CYS   2           HB2      CYS   2  -0.317   3.850  -2.879
   15    HB3  CYS   2           HB3      CYS   2  -0.938   3.622  -4.516
   16    HG   CYS   2           HG       CYS   2   0.801   1.849  -5.290
   17    H    ILE   3           H        ILE   3   2.017   6.804  -5.346
   18    HA   ILE   3           HA       ILE   3   0.535   8.760  -3.964
   19    HB   ILE   3           HB       ILE   3   1.570  10.378  -5.330
   20   HG12  ILE   3          HG12      ILE   3   1.241   9.577  -7.589
   21   HG13  ILE   3          HG13      ILE   3   2.909  10.018  -7.297
   22   HG21  ILE   3          HG21      ILE   3   2.979   9.317  -3.667
   23   HG22  ILE   3          HG22      ILE   3   3.585   8.158  -4.866
   24   HG23  ILE   3          HG23      ILE   3   3.919   9.887  -5.049
   25   HD11  ILE   3          HD11      ILE   3   1.803   7.193  -7.536
   26   HD12  ILE   3          HD12      ILE   3   2.862   8.051  -8.662
   27   HD13  ILE   3          HD13      ILE   3   3.484   7.570  -7.082
   28    H    GLY   4           H        GLY   4  -0.807  10.516  -4.958
   29    HA2  GLY   4           HA2      GLY   4  -2.682   9.585  -7.059
   30    HA3  GLY   4           HA3      GLY   4  -3.287  10.021  -5.453
   31    H    VAL   5           H        VAL   5  -1.142  11.318  -8.059
   32    HA   VAL   5           HA       VAL   5  -2.176  14.022  -7.834
   33    HB   VAL   5           HB       VAL   5  -0.621  13.870  -5.945
   34   HG11  VAL   5          HG11      VAL   5   1.759  13.432  -6.158
   35   HG12  VAL   5          HG12      VAL   5   0.843  12.032  -6.710
   36   HG13  VAL   5          HG13      VAL   5   1.583  13.114  -7.899
   37   HG21  VAL   5          HG21      VAL   5   0.920  15.699  -6.425
   38   HG22  VAL   5          HG22      VAL   5   0.631  15.518  -8.164
   39   HG23  VAL   5          HG23      VAL   5  -0.686  16.023  -7.073
   40    HA   PRO   6           HA       PRO   6  -0.912  13.312 -12.048
   41    HB2  PRO   6           HB2      PRO   6  -1.025  15.788 -13.209
   42    HB3  PRO   6           HB3      PRO   6  -2.496  14.943 -12.631
   43    HG2  PRO   6           HG2      PRO   6  -0.832  16.999 -11.161
   44    HG3  PRO   6           HG3      PRO   6  -2.604  17.017 -11.431
   45    HD2  PRO   6           HD2      PRO   6  -1.541  16.085  -9.121
   46    HD3  PRO   6           HD3      PRO   6  -2.942  15.262  -9.860
   47    H    GLY   7           H        GLY   7   0.730  13.880 -13.723
   48    HA2  GLY   7           HA2      GLY   7   2.866  15.703 -13.230
   49    HA3  GLY   7           HA3      GLY   7   3.380  14.057 -12.841
   50    H    GLN   8           H        GLN   8   4.844  14.825 -14.768
   51    HA   GLN   8           HA       GLN   8   3.544  14.367 -17.410
   52    HB2  GLN   8           HB2      GLN   8   5.022  16.376 -17.035
   53    HB3  GLN   8           HB3      GLN   8   6.388  15.278 -16.808
   54    HG2  GLN   8           HG2      GLN   8   6.132  14.425 -19.101
   55    HG3  GLN   8           HG3      GLN   8   4.613  15.301 -19.287
   56   HE21  GLN   8          HE22      GLN   8   5.304  16.473 -21.134
   57   HE22  GLN   8          HE21      GLN   8   6.517  17.736 -21.025
   58    H    ILE   9           H        ILE   9   4.029  12.535 -18.598
   59    HA   ILE   9           HA       ILE   9   5.442  10.298 -17.379
   60    HB   ILE   9           HB       ILE   9   4.284  10.673 -20.174
   61   HG12  ILE   9          HG12      ILE   9   3.105   9.262 -17.735
   62   HG13  ILE   9          HG13      ILE   9   2.565  10.822 -18.360
   63   HG21  ILE   9          HG21      ILE   9   6.052   8.859 -19.984
   64   HG22  ILE   9          HG22      ILE   9   5.058   8.083 -18.739
   65   HG23  ILE   9          HG23      ILE   9   4.465   8.251 -20.406
   66   HD11  ILE   9          HD11      ILE   9   1.833   9.800 -20.441
   67   HD12  ILE   9          HD12      ILE   9   2.334   8.186 -19.856
   68   HD13  ILE   9          HD13      ILE   9   1.042   9.056 -19.044
   69    H    ARG  10           H        ARG  10   7.445  11.481 -16.989
   70    HA   ARG  10           HA       ARG  10   8.995  12.589 -19.124
   71    HB2  ARG  10           HB2      ARG  10   9.261  13.198 -16.747
   72    HB3  ARG  10           HB3      ARG  10   9.754  11.558 -16.358
   73    HG2  ARG  10           HG2      ARG  10  11.652  13.035 -16.353
   74    HG3  ARG  10           HG3      ARG  10  11.854  11.849 -17.630
   75    HD2  ARG  10           HD2      ARG  10  10.781  14.666 -18.116
   76    HD3  ARG  10           HD3      ARG  10  12.508  14.273 -18.141
   77    HE   ARG  10           HE       ARG  10  11.343  12.433 -19.857
   78   HH11  ARG  10          HH11      ARG  10  11.613  15.976 -19.764
   79   HH12  ARG  10          HH12      ARG  10  11.512  16.168 -21.474
   80   HH21  ARG  10          HH21      ARG  10  11.213  12.677 -22.110
   81   HH22  ARG  10          HH22      ARG  10  11.285  14.236 -22.845
   82    H    THR  11           H        THR  11   8.621   9.304 -17.859
   83    HA   THR  11           HA       THR  11  10.277   8.181 -19.999
   84    HB   THR  11           HB       THR  11  11.223   6.817 -17.772
   85    HG1  THR  11           HG1      THR  11  10.396   8.466 -16.390
   86   HG21  THR  11          HG21      THR  11  13.365   7.936 -18.138
   87   HG22  THR  11          HG22      THR  11  12.594   7.569 -19.690
   88   HG23  THR  11          HG23      THR  11  12.568   9.231 -19.055
   89    H    ILE  12           H        ILE  12   9.843   5.922 -20.265
   90    HA   ILE  12           HA       ILE  12   7.500   4.838 -18.790
   91    HB   ILE  12           HB       ILE  12   8.082   4.783 -21.771
   92   HG12  ILE  12          HG12      ILE  12   5.752   5.796 -20.071
   93   HG13  ILE  12          HG13      ILE  12   6.914   6.776 -20.964
   94   HG21  ILE  12          HG21      ILE  12   6.172   3.278 -22.064
   95   HG22  ILE  12          HG22      ILE  12   7.385   2.497 -21.088
   96   HG23  ILE  12          HG23      ILE  12   5.939   3.177 -20.302
   97   HD11  ILE  12          HD11      ILE  12   4.705   5.047 -22.098
   98   HD12  ILE  12          HD12      ILE  12   4.924   6.794 -22.233
   99   HD13  ILE  12          HD13      ILE  12   6.022   5.704 -23.104
  100    H    ASP  13           H        ASP  13   7.585   2.587 -18.482
  101    HA   ASP  13           HA       ASP  13  10.194   1.215 -18.716
  102    HB2  ASP  13           HB2      ASP  13  10.367   2.546 -16.683
  103    HB3  ASP  13           HB3      ASP  13   8.792   1.989 -16.130
  104    H    GLY  14           H        GLY  14   8.520   0.331 -20.307
  105    HA2  GLY  14           HA2      GLY  14   7.205  -1.447 -20.960
  106    HA3  GLY  14           HA3      GLY  14   7.360  -2.127 -19.333
  107    H    ASN  15           H        ASN  15   5.382  -2.364 -18.425
  108    HA   ASN  15           HA       ASN  15   3.062  -0.752 -19.088
  109    HB2  ASN  15           HB2      ASN  15   2.869  -3.079 -18.278
  110    HB3  ASN  15           HB3      ASN  15   3.610  -2.619 -16.738
  111   HD21  ASN  15          HD22      ASN  15   2.292  -1.626 -15.124
  112   HD22  ASN  15          HD21      ASN  15   0.596  -1.300 -15.362
  113    H    GLN  16           H        GLN  16   5.773  -0.310 -16.866
  114    HA   GLN  16           HA       GLN  16   4.203   1.512 -15.163
  115    HB2  GLN  16           HB2      GLN  16   7.152   0.788 -14.975
  116    HB3  GLN  16           HB3      GLN  16   6.196   1.694 -13.807
  117    HG2  GLN  16           HG2      GLN  16   5.946  -1.255 -14.478
  118    HG3  GLN  16           HG3      GLN  16   6.523  -0.537 -12.978
  119   HE21  GLN  16          HE22      GLN  16   4.867   0.773 -11.648
  120   HE22  GLN  16          HE21      GLN  16   3.206   0.228 -11.747
  121    H    ALA  17           H        ALA  17   5.313   3.615 -14.670
  122    HA   ALA  17           HA       ALA  17   7.044   4.745 -16.754
  123    HB1  ALA  17           HB1      ALA  17   4.354   5.942 -15.930
  124    HB2  ALA  17           HB2      ALA  17   5.622   6.836 -16.798
  125    HB3  ALA  17           HB3      ALA  17   4.862   5.430 -17.558
  126    H    LYS  18           H        LYS  18   8.032   6.738 -15.973
  127    HA   LYS  18           HA       LYS  18   8.160   6.902 -12.985
  128    HB2  LYS  18           HB2      LYS  18  10.304   6.321 -14.855
  129    HB3  LYS  18           HB3      LYS  18  10.583   7.903 -14.165
  130    HG2  LYS  18           HG2      LYS  18  11.703   6.273 -12.825
  131    HG3  LYS  18           HG3      LYS  18  10.417   7.031 -11.895
  132    HD2  LYS  18           HD2      LYS  18  10.558   4.666 -11.398
  133    HD3  LYS  18           HD3      LYS  18   9.008   5.017 -12.154
  134    HE2  LYS  18           HE2      LYS  18   9.756   4.089 -14.280
  135    HE3  LYS  18           HE3      LYS  18  11.405   3.892 -13.662
  136    HZ1  LYS  18           HZ1      LYS  18   9.032   2.487 -12.553
  137    HZ2  LYS  18           HZ2      LYS  18  10.112   1.806 -13.600
  138    HZ3  LYS  18           HZ3      LYS  18  10.589   2.261 -12.106
  139    H    VAL  19           H        VAL  19   6.408   8.255 -13.095
  140    HA   VAL  19           HA       VAL  19   6.252  10.466 -14.962
  141    HB   VAL  19           HB       VAL  19   4.562   9.540 -12.600
  142   HG11  VAL  19          HG11      VAL  19   3.836  11.664 -14.656
  143   HG12  VAL  19          HG12      VAL  19   2.773  11.014 -13.393
  144   HG13  VAL  19          HG13      VAL  19   4.193  11.960 -12.936
  145   HG21  VAL  19          HG21      VAL  19   2.989   8.805 -14.399
  146   HG22  VAL  19          HG22      VAL  19   4.156   9.333 -15.623
  147   HG23  VAL  19          HG23      VAL  19   4.550   7.992 -14.532
  148    H    ASP  20           H        ASP  20   6.966  12.525 -14.571
  149    HA   ASP  20           HA       ASP  20   8.356  13.109 -12.034
  150    HB2  ASP  20           HB2      ASP  20   9.491  13.891 -14.021
  151    HB3  ASP  20           HB3      ASP  20   8.014  14.629 -14.648
  152    H    VAL  21           H        VAL  21   7.127  13.696 -10.398
  153    HA   VAL  21           HA       VAL  21   4.568  15.111 -10.721
  154    HB   VAL  21           HB       VAL  21   5.999  14.153  -8.201
  155   HG11  VAL  21          HG11      VAL  21   4.246  15.898  -7.787
  156   HG12  VAL  21          HG12      VAL  21   3.077  14.916  -8.682
  157   HG13  VAL  21          HG13      VAL  21   3.775  14.325  -7.156
  158   HG21  VAL  21          HG21      VAL  21   4.346  12.269  -8.243
  159   HG22  VAL  21          HG22      VAL  21   3.836  12.780  -9.866
  160   HG23  VAL  21          HG23      VAL  21   5.489  12.190  -9.583
  161    H    CYS  22           H        CYS  22   6.143  16.644 -11.906
  162    HA   CYS  22           HA       CYS  22   7.300  18.569 -12.099
  163    HB2  CYS  22           HB2      CYS  22   5.320  19.381  -9.937
  164    HB3  CYS  22           HB3      CYS  22   6.095  20.455 -11.112
  165    HG   CYS  22           HG       CYS  22   3.593  20.073 -11.775
  166    H    GLY  23           H        GLY  23   8.976  16.978 -10.532
  167    HA2  GLY  23           HA2      GLY  23  10.859  18.663  -9.604
  168    HA3  GLY  23           HA3      GLY  23   9.828  18.521  -8.171
  169    H    ILE  24           H        ILE  24   9.190  15.596  -9.017
  170    HA   ILE  24           HA       ILE  24  11.740  14.262  -8.756
  171    HB   ILE  24           HB       ILE  24  11.163  14.870  -6.385
  172   HG12  ILE  24          HG12      ILE  24  11.415  12.683  -5.345
  173   HG13  ILE  24          HG13      ILE  24  11.004  11.865  -6.848
  174   HG21  ILE  24          HG21      ILE  24   9.282  13.852  -5.240
  175   HG22  ILE  24          HG22      ILE  24   8.673  14.784  -6.614
  176   HG23  ILE  24          HG23      ILE  24   8.782  13.012  -6.726
  177   HD11  ILE  24          HD11      ILE  24  13.424  13.686  -6.453
  178   HD12  ILE  24          HD12      ILE  24  13.451  11.914  -6.367
  179   HD13  ILE  24          HD13      ILE  24  13.071  12.709  -7.900
  180    H    GLN  25           H        GLN  25  11.484  11.977  -9.231
  181    HA   GLN  25           HA       GLN  25   9.096  11.526 -10.924
  182    HB2  GLN  25           HB2      GLN  25  11.794  10.124 -10.883
  183    HB3  GLN  25           HB3      GLN  25  10.414   9.666 -11.895
  184    HG2  GLN  25           HG2      GLN  25  10.408  11.985 -12.872
  185    HG3  GLN  25           HG3      GLN  25  11.886  12.340 -11.975
  186   HE21  GLN  25          HE22      GLN  25  10.460  10.323 -14.574
  187   HE22  GLN  25          HE21      GLN  25  11.959   9.919 -15.346
  188    H    ARG  26           H        ARG  26   7.688   9.937 -10.548
  189    HA   ARG  26           HA       ARG  26   8.146   8.074  -8.246
  190    HB2  ARG  26           HB2      ARG  26   5.562   9.542  -8.975
  191    HB3  ARG  26           HB3      ARG  26   5.723   8.324  -7.717
  192    HG2  ARG  26           HG2      ARG  26   7.051  11.072  -7.713
  193    HG3  ARG  26           HG3      ARG  26   5.636  10.579  -6.780
  194    HD2  ARG  26           HD2      ARG  26   7.040   8.848  -5.622
  195    HD3  ARG  26           HD3      ARG  26   8.449   9.463  -6.500
  196    HE   ARG  26           HE       ARG  26   6.870  11.354  -4.856
  197   HH11  ARG  26          HH11      ARG  26   9.868   9.476  -5.198
  198   HH12  ARG  26          HH12      ARG  26  10.667  10.246  -3.878
  199   HH21  ARG  26          HH21      ARG  26   7.945  12.397  -3.113
  200   HH22  ARG  26          HH22      ARG  26   9.554  11.961  -2.689
  201    H    ASP  27           H        ASP  27   7.260   5.991  -8.523
  202    HA   ASP  27           HA       ASP  27   6.998   5.161 -11.297
  203    HB2  ASP  27           HB2      ASP  27   8.137   3.777  -9.563
  204    HB3  ASP  27           HB3      ASP  27   6.578   3.539  -8.762
  205    H    VAL  28           H        VAL  28   5.144   4.637 -12.384
  206    HA   VAL  28           HA       VAL  28   2.528   4.722 -10.988
  207    HB   VAL  28           HB       VAL  28   3.383   6.287 -13.460
  208   HG11  VAL  28          HG11      VAL  28   0.574   6.104 -12.300
  209   HG12  VAL  28          HG12      VAL  28   1.097   7.139 -13.643
  210   HG13  VAL  28          HG13      VAL  28   1.101   5.387 -13.832
  211   HG21  VAL  28          HG21      VAL  28   2.578   8.258 -12.128
  212   HG22  VAL  28          HG22      VAL  28   2.306   7.176 -10.751
  213   HG23  VAL  28          HG23      VAL  28   3.949   7.448 -11.370
  214    H    ASP  29           H        ASP  29   1.017   3.352 -11.944
  215    HA   ASP  29           HA       ASP  29   2.062   1.320 -13.875
  216    HB2  ASP  29           HB2      ASP  29   1.293   0.542 -11.651
  217    HB3  ASP  29           HB3      ASP  29  -0.280   1.279 -11.920
  218    H    LEU  30           H        LEU  30   1.356   1.580 -15.977
  219    HA   LEU  30           HA       LEU  30  -0.734   3.593 -16.459
  220    HB2  LEU  30           HB2      LEU  30   1.118   2.186 -18.419
  221    HB3  LEU  30           HB3      LEU  30   0.016   3.489 -18.798
  222    HG   LEU  30           HG       LEU  30   2.505   3.712 -17.076
  223   HD11  LEU  30          HD11      LEU  30   2.913   3.639 -19.482
  224   HD12  LEU  30          HD12      LEU  30   1.664   4.876 -19.770
  225   HD13  LEU  30          HD13      LEU  30   3.152   5.300 -18.920
  226   HD21  LEU  30          HD21      LEU  30   0.414   5.845 -17.708
  227   HD22  LEU  30          HD22      LEU  30   0.806   5.185 -16.103
  228   HD23  LEU  30          HD23      LEU  30   2.001   6.146 -16.970
  229    H    THR  31           H        THR  31  -1.283   0.486 -15.710
  230    HA   THR  31           HA       THR  31  -2.296  -0.827 -17.904
  231    HB   THR  31           HB       THR  31  -4.123  -1.651 -16.127
  232    HG1  THR  31           HG1      THR  31  -2.069  -0.633 -14.471
  233   HG21  THR  31          HG21      THR  31  -1.172  -2.309 -15.877
  234   HG22  THR  31          HG22      THR  31  -2.521  -3.265 -15.231
  235   HG23  THR  31          HG23      THR  31  -2.336  -3.062 -16.981
  236    H    LEU  32           H        LEU  32  -3.966   1.810 -16.194
  237    HA   LEU  32           HA       LEU  32  -6.462   1.283 -17.631
  238    HB2  LEU  32           HB2      LEU  32  -5.780   3.534 -15.723
  239    HB3  LEU  32           HB3      LEU  32  -7.386   3.063 -16.259
  240    HG   LEU  32           HG       LEU  32  -5.526   1.435 -14.475
  241   HD11  LEU  32          HD11      LEU  32  -6.643   3.327 -13.357
  242   HD12  LEU  32          HD12      LEU  32  -8.222   2.742 -13.913
  243   HD13  LEU  32          HD13      LEU  32  -7.259   1.779 -12.768
  244   HD21  LEU  32          HD21      LEU  32  -7.436  -0.152 -14.241
  245   HD22  LEU  32          HD22      LEU  32  -8.299   0.714 -15.531
  246   HD23  LEU  32          HD23      LEU  32  -6.778  -0.140 -15.874
  247    H    VAL  33           H        VAL  33  -3.677   2.897 -18.600
  248    HA   VAL  33           HA       VAL  33  -5.251   4.644 -20.436
  249    HB   VAL  33           HB       VAL  33  -3.608   6.421 -20.213
  250   HG11  VAL  33          HG11      VAL  33  -5.626   6.464 -18.770
  251   HG12  VAL  33          HG12      VAL  33  -4.710   5.673 -17.469
  252   HG13  VAL  33          HG13      VAL  33  -4.236   7.283 -18.032
  253   HG21  VAL  33          HG21      VAL  33  -1.955   6.474 -18.393
  254   HG22  VAL  33          HG22      VAL  33  -2.352   4.800 -17.955
  255   HG23  VAL  33          HG23      VAL  33  -1.606   5.167 -19.525
  256    H    GLY  34           H        GLY  34  -2.601   2.407 -20.024
  257    HA2  GLY  34           HA2      GLY  34  -1.509   1.195 -21.630
  258    HA3  GLY  34           HA3      GLY  34  -2.193   2.197 -22.917
  259    H    SER  35           H        SER  35   0.658   1.343 -22.277
  260    HA   SER  35           HA       SER  35   2.105   3.770 -21.702
  261    HB2  SER  35           HB2      SER  35   3.072   1.227 -23.057
  262    HB3  SER  35           HB3      SER  35   4.055   2.462 -22.247
  263    HG   SER  35           HG       SER  35   3.804   0.935 -20.741
  264    H    CYS  36           H        CYS  36   0.398   2.753 -24.473
  265    HA   CYS  36           HA       CYS  36   1.792   4.797 -26.118
  266    HB2  CYS  36           HB2      CYS  36   0.437   2.249 -27.100
  267    HB3  CYS  36           HB3      CYS  36   1.044   3.557 -28.129
  268    HG   CYS  36           HG       CYS  36   2.696   1.522 -28.218
  269    H    ASP  37           H        ASP  37   0.336   5.726 -27.707
  270    HA   ASP  37           HA       ASP  37  -2.206   6.539 -26.401
  271    HB2  ASP  37           HB2      ASP  37  -0.272   8.123 -26.471
  272    HB3  ASP  37           HB3      ASP  37  -0.228   7.951 -28.219
  273    H    GLU  38           H        GLU  38  -3.824   7.459 -27.913
  274    HA   GLU  38           HA       GLU  38  -4.797   5.576 -29.764
  275    HB2  GLU  38           HB2      GLU  38  -6.062   7.356 -28.529
  276    HB3  GLU  38           HB3      GLU  38  -5.322   8.579 -29.577
  277    HG2  GLU  38           HG2      GLU  38  -6.427   7.606 -31.546
  278    HG3  GLU  38           HG3      GLU  38  -7.060   6.275 -30.572
  279    H    ASN  39           H        ASN  39  -2.800   8.440 -30.203
  280    HA   ASN  39           HA       ASN  39  -2.891   8.545 -33.072
  281    HB2  ASN  39           HB2      ASN  39  -2.564  10.470 -31.511
  282    HB3  ASN  39           HB3      ASN  39  -1.002   9.796 -31.053
  283   HD21  ASN  39          HD22      ASN  39   0.300  11.431 -31.791
  284   HD22  ASN  39          HD21      ASN  39   0.422  11.921 -33.468
  285    H    GLY  40           H        GLY  40  -1.392   6.174 -31.192
  286    HA2  GLY  40           HA2      GLY  40  -0.034   4.482 -31.900
  287    HA3  GLY  40           HA3      GLY  40   0.123   5.265 -33.482
  288    H    GLN  41           H        GLN  41   0.969   6.327 -30.148
  289    HA   GLN  41           HA       GLN  41   3.831   6.475 -30.813
  290    HB2  GLN  41           HB2      GLN  41   3.960   8.806 -30.016
  291    HB3  GLN  41           HB3      GLN  41   2.945   8.672 -31.453
  292    HG2  GLN  41           HG2      GLN  41   0.913   8.743 -30.001
  293    HG3  GLN  41           HG3      GLN  41   1.942   8.962 -28.580
  294   HE21  GLN  41          HE22      GLN  41  -0.074  10.810 -29.081
  295   HE22  GLN  41          HE21      GLN  41   0.672  12.313 -29.584
  296    HA   PRO  42           HA       PRO  42   3.886   5.266 -26.444
  297    HB2  PRO  42           HB2      PRO  42   6.376   6.126 -25.657
  298    HB3  PRO  42           HB3      PRO  42   6.099   4.665 -26.649
  299    HG2  PRO  42           HG2      PRO  42   6.896   7.432 -27.595
  300    HG3  PRO  42           HG3      PRO  42   7.575   5.850 -28.085
  301    HD2  PRO  42           HD2      PRO  42   5.701   7.191 -29.559
  302    HD3  PRO  42           HD3      PRO  42   5.737   5.404 -29.482
  303    H    ARG  43           H        ARG  43   3.419   6.345 -24.442
  304    HA   ARG  43           HA       ARG  43   2.470   9.024 -24.804
  305    HB2  ARG  43           HB2      ARG  43   2.572   7.321 -22.275
  306    HB3  ARG  43           HB3      ARG  43   1.746   8.871 -22.454
  307    HG2  ARG  43           HG2      ARG  43   0.466   7.786 -24.410
  308    HG3  ARG  43           HG3      ARG  43   0.992   6.248 -23.712
  309    HD2  ARG  43           HD2      ARG  43   0.014   6.917 -21.526
  310    HD3  ARG  43           HD3      ARG  43  -0.505   8.460 -22.215
  311    HE   ARG  43           HE       ARG  43  -1.691   5.817 -22.569
  312   HH11  ARG  43          HH11      ARG  43  -1.454   9.058 -24.084
  313   HH12  ARG  43          HH12      ARG  43  -2.849   8.811 -25.077
  314   HH21  ARG  43          HH21      ARG  43  -3.683   5.684 -23.584
  315   HH22  ARG  43          HH22      ARG  43  -4.287   6.952 -24.616
  316    H    VAL  44           H        VAL  44   5.651   8.533 -24.563
  317    HA   VAL  44           HA       VAL  44   6.455   9.928 -22.223
  318    HB   VAL  44           HB       VAL  44   8.550  10.377 -23.558
  319   HG11  VAL  44          HG11      VAL  44   8.291   8.448 -22.053
  320   HG12  VAL  44          HG12      VAL  44   7.628   7.481 -23.392
  321   HG13  VAL  44          HG13      VAL  44   9.305   8.054 -23.446
  322   HG21  VAL  44          HG21      VAL  44   7.272   8.578 -25.660
  323   HG22  VAL  44          HG22      VAL  44   7.609  10.309 -25.864
  324   HG23  VAL  44          HG23      VAL  44   8.940   9.169 -25.638
  325    H    GLY  45           H        GLY  45   6.562  12.015 -21.706
  326    HA2  GLY  45           HA2      GLY  45   6.617  14.313 -21.968
  327    HA3  GLY  45           HA3      GLY  45   6.269  14.157 -23.692
  328    H    GLN  46           H        GLN  46   3.871  12.228 -22.669
  329    HA   GLN  46           HA       GLN  46   1.888  14.385 -22.613
  330    HB2  GLN  46           HB2      GLN  46   1.526  11.371 -22.275
  331    HB3  GLN  46           HB3      GLN  46   0.244  12.566 -22.475
  332    HG2  GLN  46           HG2      GLN  46   1.245  13.232 -24.667
  333    HG3  GLN  46           HG3      GLN  46   2.398  11.903 -24.534
  334   HE21  GLN  46          HE22      GLN  46   0.659  12.212 -26.703
  335   HE22  GLN  46          HE21      GLN  46  -0.518  10.925 -26.730
  336    H    TRP  47           H        TRP  47   0.215  14.341 -20.794
  337    HA   TRP  47           HA       TRP  47   1.601  13.993 -18.172
  338    HB2  TRP  47           HB2      TRP  47  -0.465  16.014 -19.088
  339    HB3  TRP  47           HB3      TRP  47  -0.063  15.719 -17.403
  340    HD1  TRP  47           HD1      TRP  47   1.933  16.608 -20.618
  341    HE1  TRP  47           HE1      TRP  47   3.787  18.256 -20.011
  342    HE3  TRP  47           HE3      TRP  47   1.114  16.887 -15.581
  343    HZ2  TRP  47           HZ2      TRP  47   4.743  19.618 -17.624
  344    HZ3  TRP  47           HZ3      TRP  47   2.486  18.384 -14.166
  345    HH2  TRP  47           HH2      TRP  47   4.305  19.751 -15.173
  346    H    VAL  48           H        VAL  48   0.321  13.245 -16.408
  347    HA   VAL  48           HA       VAL  48  -2.136  11.777 -17.129
  348    HB   VAL  48           HB       VAL  48  -0.191  10.397 -17.758
  349   HG11  VAL  48          HG11      VAL  48   1.270   9.359 -16.100
  350   HG12  VAL  48          HG12      VAL  48   1.469  11.118 -16.059
  351   HG13  VAL  48          HG13      VAL  48   0.523  10.301 -14.799
  352   HG21  VAL  48          HG21      VAL  48  -2.289   9.318 -17.117
  353   HG22  VAL  48          HG22      VAL  48  -0.869   8.329 -16.748
  354   HG23  VAL  48          HG23      VAL  48  -1.702   9.190 -15.441
  355    H    LEU  49           H        LEU  49  -3.443  11.423 -15.429
  356    HA   LEU  49           HA       LEU  49  -2.800  12.684 -12.815
  357    HB2  LEU  49           HB2      LEU  49  -4.931  13.282 -13.908
  358    HB3  LEU  49           HB3      LEU  49  -5.337  11.575 -14.083
  359    HG   LEU  49           HG       LEU  49  -5.504  11.359 -11.630
  360   HD11  LEU  49          HD11      LEU  49  -3.955  13.110 -10.860
  361   HD12  LEU  49          HD12      LEU  49  -4.964  14.363 -11.616
  362   HD13  LEU  49          HD13      LEU  49  -5.568  13.430 -10.228
  363   HD21  LEU  49          HD21      LEU  49  -7.156  13.624 -12.814
  364   HD22  LEU  49          HD22      LEU  49  -7.458  11.882 -13.022
  365   HD23  LEU  49          HD23      LEU  49  -7.597  12.618 -11.414
  366    H    VAL  50           H        VAL  50  -2.850  11.274 -10.908
  367    HA   VAL  50           HA       VAL  50  -2.868   8.348 -11.485
  368    HB   VAL  50           HB       VAL  50  -1.049   9.773  -9.509
  369   HG11  VAL  50          HG11      VAL  50  -0.915   6.962 -10.677
  370   HG12  VAL  50          HG12      VAL  50   0.161   7.655  -9.448
  371   HG13  VAL  50          HG13      VAL  50  -1.539   7.365  -9.066
  372   HG21  VAL  50          HG21      VAL  50   0.821   9.340 -11.069
  373   HG22  VAL  50          HG22      VAL  50  -0.329   8.783 -12.312
  374   HG23  VAL  50          HG23      VAL  50  -0.317  10.475 -11.769
  375    H    HIS  51           H        HIS  51  -3.974   7.132  -9.915
  376    HA   HIS  51           HA       HIS  51  -5.641   8.765  -8.044
  377    HB2  HIS  51           HB2      HIS  51  -6.815   7.420  -9.760
  378    HB3  HIS  51           HB3      HIS  51  -6.078   5.952  -9.128
  379    HD1  HIS  51           HD1      HIS  51  -7.670   4.743  -7.417
  380    HD2  HIS  51           HD2      HIS  51  -8.272   8.900  -7.729
  381    HE1  HIS  51           HE1      HIS  51  -9.616   5.299  -5.880
  382    H    VAL  52           H        VAL  52  -3.858   5.625  -8.185
  383    HA   VAL  52           HA       VAL  52  -2.829   5.981  -5.508
  384    HB   VAL  52           HB       VAL  52  -5.063   5.297  -4.977
  385   HG11  VAL  52          HG11      VAL  52  -4.699   2.592  -6.266
  386   HG12  VAL  52          HG12      VAL  52  -6.130   3.258  -5.477
  387   HG13  VAL  52          HG13      VAL  52  -5.599   3.921  -7.030
  388   HG21  VAL  52          HG21      VAL  52  -4.617   3.529  -3.422
  389   HG22  VAL  52          HG22      VAL  52  -3.179   3.023  -4.324
  390   HG23  VAL  52          HG23      VAL  52  -3.214   4.605  -3.508
  391    H    GLY  53           H        GLY  53  -1.212   6.085  -7.258
  392    HA2  GLY  53           HA2      GLY  53   0.705   5.162  -8.198
  393    HA3  GLY  53           HA3      GLY  53   0.206   3.555  -7.639
  394    H    PHE  54           H        PHE  54  -2.367   3.394  -8.912
  395    HA   PHE  54           HA       PHE  54  -1.712   2.920 -11.683
  396    HB2  PHE  54           HB2      PHE  54  -4.457   3.229 -10.406
  397    HB3  PHE  54           HB3      PHE  54  -4.102   2.509 -11.970
  398    HD1  PHE  54           HD2      PHE  54  -2.777   0.320 -12.077
  399    HD2  PHE  54           HD1      PHE  54  -4.316   1.949  -8.395
  400    HE1  PHE  54           HE2      PHE  54  -2.492  -1.886 -10.975
  401    HE2  PHE  54           HE1      PHE  54  -4.023  -0.243  -7.288
  402    HZ   PHE  54           HZ       PHE  54  -3.110  -2.178  -8.580
  403    H    ALA  55           H        ALA  55  -1.891   4.239 -13.407
  404    HA   ALA  55           HA       ALA  55  -2.375   7.063 -13.241
  405    HB1  ALA  55           HB1      ALA  55  -2.596   6.823 -15.745
  406    HB2  ALA  55           HB2      ALA  55  -1.100   6.122 -15.090
  407    HB3  ALA  55           HB3      ALA  55  -2.461   5.068 -15.550
  408    H    MET  56           H        MET  56  -4.312   8.143 -13.335
  409    HA   MET  56           HA       MET  56  -6.797   6.563 -13.155
  410    HB2  MET  56           HB2      MET  56  -6.153   8.504 -11.604
  411    HB3  MET  56           HB3      MET  56  -6.464   9.586 -12.959
  412    HG2  MET  56           HG2      MET  56  -8.785   8.828 -13.088
  413    HG3  MET  56           HG3      MET  56  -8.476   7.578 -11.873
  414    HE1  MET  56           HE1      MET  56 -10.535   8.262 -10.431
  415    HE2  MET  56           HE2      MET  56 -10.888   9.931  -9.933
  416    HE3  MET  56           HE3      MET  56 -10.944   9.490 -11.654
  417    H    SER  57           H        SER  57  -5.490   9.369 -15.059
  418    HA   SER  57           HA       SER  57  -6.771   8.429 -17.528
  419    HB2  SER  57           HB2      SER  57  -7.374  11.173 -16.320
  420    HB3  SER  57           HB3      SER  57  -7.988  10.531 -17.847
  421    HG   SER  57           HG       SER  57  -9.537  10.402 -16.180
  422    H    VAL  58           H        VAL  58  -5.796   9.492 -19.364
  423    HA   VAL  58           HA       VAL  58  -3.259  10.900 -18.866
  424    HB   VAL  58           HB       VAL  58  -3.447   9.250 -20.679
  425   HG11  VAL  58          HG11      VAL  58  -5.381  11.151 -22.057
  426   HG12  VAL  58          HG12      VAL  58  -4.673   9.678 -22.741
  427   HG13  VAL  58          HG13      VAL  58  -5.795   9.559 -21.385
  428   HG21  VAL  58          HG21      VAL  58  -1.775  10.990 -20.880
  429   HG22  VAL  58          HG22      VAL  58  -2.420  10.589 -22.473
  430   HG23  VAL  58          HG23      VAL  58  -2.940  12.079 -21.669
  431    H    ILE  59           H        ILE  59  -3.041  13.207 -19.303
  432    HA   ILE  59           HA       ILE  59  -5.567  14.740 -19.571
  433    HB   ILE  59           HB       ILE  59  -5.099  16.063 -17.619
  434   HG12  ILE  59          HG12      ILE  59  -2.743  14.233 -17.055
  435   HG13  ILE  59          HG13      ILE  59  -2.646  15.921 -17.571
  436   HG21  ILE  59          HG21      ILE  59  -5.062  13.172 -16.690
  437   HG22  ILE  59          HG22      ILE  59  -5.794  14.568 -15.885
  438   HG23  ILE  59          HG23      ILE  59  -6.487  13.972 -17.391
  439   HD11  ILE  59          HD11      ILE  59  -3.823  16.591 -15.467
  440   HD12  ILE  59          HD12      ILE  59  -3.697  14.904 -14.916
  441   HD13  ILE  59          HD13      ILE  59  -2.232  15.834 -15.230
  442    H    ASN  60           H        ASN  60  -5.033  17.141 -19.691
  443    HA   ASN  60           HA       ASN  60  -2.472  17.572 -21.169
  444    HB2  ASN  60           HB2      ASN  60  -3.437  19.152 -22.452
  445    HB3  ASN  60           HB3      ASN  60  -4.871  18.182 -22.169
  446   HD21  ASN  60          HD22      ASN  60  -6.280  18.946 -20.212
  447   HD22  ASN  60          HD21      ASN  60  -6.431  20.690 -20.071
  448    H    GLU  61           H        GLU  61  -1.609  19.915 -20.775
  449    HA   GLU  61           HA       GLU  61  -0.724  19.875 -18.090
  450    HB2  GLU  61           HB2      GLU  61  -0.474  21.963 -20.301
  451    HB3  GLU  61           HB3      GLU  61   0.242  22.169 -18.699
  452    HG2  GLU  61           HG2      GLU  61   1.314  19.878 -19.016
  453    HG3  GLU  61           HG3      GLU  61   0.875  19.990 -20.723
  454    H    ALA  62           H        ALA  62  -3.373  21.763 -19.580
  455    HA   ALA  62           HA       ALA  62  -3.569  23.665 -17.446
  456    HB1  ALA  62           HB1      ALA  62  -4.637  23.989 -19.659
  457    HB2  ALA  62           HB2      ALA  62  -5.766  22.658 -19.311
  458    HB3  ALA  62           HB3      ALA  62  -5.807  24.136 -18.333
  459    H    GLU  63           H        GLU  63  -4.977  20.410 -17.908
  460    HA   GLU  63           HA       GLU  63  -6.664  20.459 -15.548
  461    HB2  GLU  63           HB2      GLU  63  -5.452  18.234 -17.223
  462    HB3  GLU  63           HB3      GLU  63  -6.516  17.922 -15.854
  463    HG2  GLU  63           HG2      GLU  63  -8.391  18.924 -16.911
  464    HG3  GLU  63           HG3      GLU  63  -7.407  19.698 -18.149
  465    H    ALA  64           H        ALA  64  -3.288  19.433 -16.282
  466    HA   ALA  64           HA       ALA  64  -2.775  18.273 -13.738
  467    HB1  ALA  64           HB1      ALA  64  -0.765  19.616 -15.603
  468    HB2  ALA  64           HB2      ALA  64  -0.424  18.436 -14.328
  469    HB3  ALA  64           HB3      ALA  64  -1.341  17.949 -15.770
  470    H    ARG  65           H        ARG  65  -2.134  21.629 -14.953
  471    HA   ARG  65           HA       ARG  65  -1.013  22.520 -12.457
  472    HB2  ARG  65           HB2      ARG  65  -2.409  24.188 -14.602
  473    HB3  ARG  65           HB3      ARG  65  -1.431  24.809 -13.280
  474    HG2  ARG  65           HG2      ARG  65  -0.494  23.297 -15.721
  475    HG3  ARG  65           HG3      ARG  65  -0.101  24.925 -15.212
  476    HD2  ARG  65           HD2      ARG  65   1.107  23.934 -13.218
  477    HD3  ARG  65           HD3      ARG  65   0.859  22.331 -13.925
  478    HE   ARG  65           HE       ARG  65   2.738  24.395 -14.733
  479   HH11  ARG  65          HH21      ARG  65   1.069  21.460 -15.931
  480   HH12  ARG  65          HH22      ARG  65   2.146  21.337 -17.313
  481   HH21  ARG  65          HH11      ARG  65   4.078  24.107 -16.634
  482   HH22  ARG  65          HH12      ARG  65   3.678  22.804 -17.737
  483    H    ASP  66           H        ASP  66  -4.392  22.657 -13.736
  484    HA   ASP  66           HA       ASP  66  -5.454  24.121 -11.550
  485    HB2  ASP  66           HB2      ASP  66  -6.696  23.787 -13.620
  486    HB3  ASP  66           HB3      ASP  66  -6.755  22.041 -13.348
  487    H    THR  67           H        THR  67  -5.082  20.570 -12.020
  488    HA   THR  67           HA       THR  67  -6.328  19.858  -9.552
  489    HB   THR  67           HB       THR  67  -4.270  18.343 -11.199
  490    HG1  THR  67           HG1      THR  67  -5.916  18.789 -12.511
  491   HG21  THR  67          HG21      THR  67  -4.606  17.269  -9.021
  492   HG22  THR  67          HG22      THR  67  -6.370  17.366  -9.208
  493   HG23  THR  67          HG23      THR  67  -5.410  16.315 -10.273
  494    H    LEU  68           H        LEU  68  -2.850  20.463 -10.409
  495    HA   LEU  68           HA       LEU  68  -1.834  19.779  -7.821
  496    HB2  LEU  68           HB2      LEU  68  -0.813  21.614 -10.028
  497    HB3  LEU  68           HB3      LEU  68   0.101  21.323  -8.552
  498    HG   LEU  68           HG       LEU  68  -0.793  19.070 -10.378
  499   HD11  LEU  68          HD11      LEU  68   1.882  20.526 -10.358
  500   HD12  LEU  68          HD12      LEU  68   1.482  19.069 -11.303
  501   HD13  LEU  68          HD13      LEU  68   0.658  20.594 -11.648
  502   HD21  LEU  68          HD21      LEU  68  -0.210  18.335  -8.104
  503   HD22  LEU  68          HD22      LEU  68   1.009  17.800  -9.263
  504   HD23  LEU  68          HD23      LEU  68   1.343  19.191  -8.208
  505    H    ASP  69           H        ASP  69  -3.015  22.892  -9.184
  506    HA   ASP  69           HA       ASP  69  -2.348  24.484  -6.912
  507    HB2  ASP  69           HB2      ASP  69  -2.912  25.471  -9.066
  508    HB3  ASP  69           HB3      ASP  69  -4.544  24.798  -8.994
  509    H    ALA  70           H        ALA  70  -5.359  22.682  -7.761
  510    HA   ALA  70           HA       ALA  70  -6.816  23.439  -5.439
  511    HB1  ALA  70           HB1      ALA  70  -7.032  20.908  -7.136
  512    HB2  ALA  70           HB2      ALA  70  -8.244  21.499  -5.980
  513    HB3  ALA  70           HB3      ALA  70  -7.872  22.447  -7.434
  514    H    LEU  71           H        LEU  71  -4.781  20.518  -6.075
  515    HA   LEU  71           HA       LEU  71  -5.234  19.285  -3.568
  516    HB2  LEU  71           HB2      LEU  71  -2.925  19.123  -5.543
  517    HB3  LEU  71           HB3      LEU  71  -2.951  18.160  -4.073
  518    HG   LEU  71           HG       LEU  71  -5.147  18.026  -6.182
  519   HD11  LEU  71          HD11      LEU  71  -4.089  15.912  -6.876
  520   HD12  LEU  71          HD12      LEU  71  -2.973  17.271  -7.088
  521   HD13  LEU  71          HD13      LEU  71  -2.775  16.166  -5.707
  522   HD21  LEU  71          HD21      LEU  71  -5.715  15.886  -5.052
  523   HD22  LEU  71          HD22      LEU  71  -4.507  16.236  -3.796
  524   HD23  LEU  71          HD23      LEU  71  -5.938  17.272  -3.988
  525    H    GLN  72           H        GLN  72  -2.739  21.706  -4.507
  526    HA   GLN  72           HA       GLN  72  -1.443  21.699  -1.924
  527    HB2  GLN  72           HB2      GLN  72  -1.610  23.731  -4.184
  528    HB3  GLN  72           HB3      GLN  72  -0.690  24.025  -2.704
  529    HG2  GLN  72           HG2      GLN  72   0.779  22.167  -3.101
  530    HG3  GLN  72           HG3      GLN  72  -0.214  21.558  -4.425
  531   HE21  GLN  72          HE22      GLN  72  -0.413  22.887  -6.376
  532   HE22  GLN  72          HE21      GLN  72   0.923  23.930  -6.862
  533    H    ASN  73           H        ASN  73  -4.140  23.661  -3.325
  534    HA   ASN  73           HA       ASN  73  -4.354  25.332  -1.002
  535    HB2  ASN  73           HB2      ASN  73  -6.076  24.896  -3.439
  536    HB3  ASN  73           HB3      ASN  73  -6.730  25.764  -2.052
  537   HD21  ASN  73          HD22      ASN  73  -4.184  25.841  -4.525
  538   HD22  ASN  73          HD21      ASN  73  -3.809  27.540  -4.333
  539    H    MET  74           H        MET  74  -5.527  22.063  -1.490
  540    HA   MET  74           HA       MET  74  -7.597  22.084   0.468
  541    HB2  MET  74           HB2      MET  74  -5.618  19.883  -0.259
  542    HB3  MET  74           HB3      MET  74  -6.984  19.670   0.835
  543    HG2  MET  74           HG2      MET  74  -8.551  20.341  -0.947
  544    HG3  MET  74           HG3      MET  74  -7.202  20.497  -2.070
  545    HE1  MET  74           HE1      MET  74  -8.434  19.025  -3.812
  546    HE2  MET  74           HE2      MET  74  -9.114  17.422  -3.457
  547    HE3  MET  74           HE3      MET  74  -9.807  18.868  -2.691
  548    H    PHE  75           H        PHE  75  -4.185  22.646   0.912
  549    HA   PHE  75           HA       PHE  75  -3.972  21.865   3.675
  550    HB2  PHE  75           HB2      PHE  75  -2.042  22.333   2.180
  551    HB3  PHE  75           HB3      PHE  75  -2.521  24.024   2.089
  552    HD1  PHE  75           HD1      PHE  75  -1.377  21.348   4.454
  553    HD2  PHE  75           HD2      PHE  75  -1.811  25.587   3.763
  554    HE1  PHE  75           HE1      PHE  75  -0.021  21.820   6.480
  555    HE2  PHE  75           HE2      PHE  75  -0.453  26.052   5.788
  556    HZ   PHE  75           HZ       PHE  75   0.443  24.172   7.150
  557    H    ASP  76           H        ASP  76  -5.392  24.634   1.984
  558    HA   ASP  76           HA       ASP  76  -5.955  26.034   4.537
  559    HB2  ASP  76           HB2      ASP  76  -4.883  27.269   2.619
  560    HB3  ASP  76           HB3      ASP  76  -6.350  26.985   1.679
  561    H    VAL  77           H        VAL  77  -7.219  23.524   3.104
  562    HA   VAL  77           HA       VAL  77  -9.098  22.407   3.259
  563    HB   VAL  77           HB       VAL  77 -10.102  24.701   4.988
  564   HG11  VAL  77          HG11      VAL  77 -11.932  23.215   4.494
  565   HG12  VAL  77          HG12      VAL  77 -10.946  21.780   4.860
  566   HG13  VAL  77          HG13      VAL  77 -11.410  22.919   6.147
  567   HG21  VAL  77          HG21      VAL  77  -9.231  23.328   6.892
  568   HG22  VAL  77          HG22      VAL  77  -8.489  22.209   5.730
  569   HG23  VAL  77          HG23      VAL  77  -7.930  23.890   5.853
  570    H    GLU  78           H        GLU  78  -9.430  25.603   1.888
  571    HA   GLU  78           HA       GLU  78 -12.138  25.640   1.380
  572    HB2  GLU  78           HB2      GLU  78  -9.926  26.875  -0.284
  573    HB3  GLU  78           HB3      GLU  78 -11.654  27.200  -0.503
  574    HG2  GLU  78           HG2      GLU  78 -11.729  27.837   1.969
  575    HG3  GLU  78           HG3      GLU  78  -9.969  27.781   1.962
  576    HA   PRO  79           HA       PRO  79 -12.073  23.461  -2.767
  577    HB2  PRO  79           HB2      PRO  79  -9.936  22.050  -3.738
  578    HB3  PRO  79           HB3      PRO  79 -10.166  23.807  -4.006
  579    HG2  PRO  79           HG2      PRO  79  -8.484  22.450  -1.892
  580    HG3  PRO  79           HG3      PRO  79  -8.022  23.783  -2.989
  581    HD2  PRO  79           HD2      PRO  79  -8.830  24.224  -0.419
  582    HD3  PRO  79           HD3      PRO  79  -9.260  25.350  -1.743
  583    H    ASP  80           H        ASP  80 -10.755  22.061   0.147
  584    HA   ASP  80           HA       ASP  80 -11.377  19.278  -0.584
  585    HB2  ASP  80           HB2      ASP  80  -9.644  19.662   1.086
  586    HB3  ASP  80           HB3      ASP  80 -10.768  20.555   2.109
  587    H    VAL  81           H        VAL  81 -12.842  21.874   1.510
  588    HA   VAL  81           HA       VAL  81 -15.302  20.362   1.787
  589    HB   VAL  81           HB       VAL  81 -16.302  22.409   2.656
  590   HG11  VAL  81          HG11      VAL  81 -14.894  22.584   4.672
  591   HG12  VAL  81          HG12      VAL  81 -15.095  20.905   4.141
  592   HG13  VAL  81          HG13      VAL  81 -13.571  21.751   3.824
  593   HG21  VAL  81          HG21      VAL  81 -15.156  24.114   1.293
  594   HG22  VAL  81          HG22      VAL  81 -15.020  24.449   3.024
  595   HG23  VAL  81          HG23      VAL  81 -13.634  23.778   2.146
  596    H    GLY  82           H        GLY  82 -14.053  22.652  -0.630
  597    HA2  GLY  82           HA2      GLY  82 -16.378  23.091  -2.146
  598    HA3  GLY  82           HA3      GLY  82 -14.729  22.946  -2.794
  599    H    ALA  83           H        ALA  83 -13.944  20.419  -2.568
  600    HA   ALA  83           HA       ALA  83 -15.402  18.961  -4.466
  601    HB1  ALA  83           HB1      ALA  83 -13.432  17.963  -2.360
  602    HB2  ALA  83           HB2      ALA  83 -13.924  17.082  -3.818
  603    HB3  ALA  83           HB3      ALA  83 -13.018  18.598  -3.970
  604    H    LEU  84           H        LEU  84 -15.571  18.797  -0.883
  605    HA   LEU  84           HA       LEU  84 -17.329  16.560  -0.769
  606    HB2  LEU  84           HB2      LEU  84 -16.007  17.465   1.119
  607    HB3  LEU  84           HB3      LEU  84 -17.021  18.891   1.172
  608    HG   LEU  84           HG       LEU  84 -17.427  17.175   2.926
  609   HD11  LEU  84          HD11      LEU  84 -19.170  18.863   2.295
  610   HD12  LEU  84          HD12      LEU  84 -19.957  17.610   1.307
  611   HD13  LEU  84          HD13      LEU  84 -19.782  17.384   3.047
  612   HD21  LEU  84          HD21      LEU  84 -17.158  15.145   1.530
  613   HD22  LEU  84          HD22      LEU  84 -18.653  15.141   2.475
  614   HD23  LEU  84          HD23      LEU  84 -18.715  15.493   0.738
  615    H    LEU  85           H        LEU  85 -18.047  20.099  -0.736
  616    HA   LEU  85           HA       LEU  85 -20.865  19.861  -0.647
  617    HB2  LEU  85           HB2      LEU  85 -19.633  21.921  -0.118
  618    HB3  LEU  85           HB3      LEU  85 -19.051  22.033  -1.779
  619    HG   LEU  85           HG       LEU  85 -21.367  22.402  -2.590
  620   HD11  LEU  85          HD11      LEU  85 -23.167  22.925  -0.946
  621   HD12  LEU  85          HD12      LEU  85 -22.680  21.232  -0.865
  622   HD13  LEU  85          HD13      LEU  85 -22.112  22.375   0.374
  623   HD21  LEU  85          HD21      LEU  85 -19.917  24.305  -2.025
  624   HD22  LEU  85          HD22      LEU  85 -21.616  24.674  -1.695
  625   HD23  LEU  85          HD23      LEU  85 -20.516  24.284  -0.353
  626    H    TYR  86           H        TYR  86 -18.609  20.100  -3.417
  627    HA   TYR  86           HA       TYR  86 -20.643  20.040  -5.448
  628    HB2  TYR  86           HB2      TYR  86 -17.723  19.226  -5.615
  629    HB3  TYR  86           HB3      TYR  86 -18.769  19.582  -6.981
  630    HD1  TYR  86           HD2      TYR  86 -20.066  22.166  -5.532
  631    HD2  TYR  86           HD1      TYR  86 -16.048  20.800  -6.343
  632    HE1  TYR  86           HE2      TYR  86 -19.265  24.493  -5.467
  633    HE2  TYR  86           HE1      TYR  86 -15.240  23.133  -6.288
  634    HH   TYR  86           HH       TYR  86 -15.815  25.375  -5.984
  635    H    GLY  87           H        GLY  87 -19.642  17.518  -3.347
  636    HA2  GLY  87           HA2      GLY  87 -20.313  15.353  -3.257
  637    HA3  GLY  87           HA3      GLY  87 -21.268  15.585  -4.731
  638    H    GLU  88           H        GLU  88 -17.808  16.348  -4.734
  639    HA   GLU  88           HA       GLU  88 -17.272  14.211  -6.693
  640    HB2  GLU  88           HB2      GLU  88 -15.483  16.325  -5.416
  641    HB3  GLU  88           HB3      GLU  88 -14.964  15.153  -6.634
  642    HG2  GLU  88           HG2      GLU  88 -16.726  16.062  -8.188
  643    HG3  GLU  88           HG3      GLU  88 -17.072  17.323  -7.004
  644    H    GLU  89           H        GLU  89 -16.778  14.927  -3.242
  645    HA   GLU  89           HA       GLU  89 -14.909  12.787  -2.750
  646    HB2  GLU  89           HB2      GLU  89 -16.769  14.371  -0.929
  647    HB3  GLU  89           HB3      GLU  89 -15.615  13.186  -0.329
  648    HG2  GLU  89           HG2      GLU  89 -14.868  15.669  -1.929
  649    HG3  GLU  89           HG3      GLU  89 -14.783  15.525  -0.178
  650    H    LYS  90           H        LYS  90 -18.481  12.957  -2.729
  651    HA   LYS  90           HA       LYS  90 -18.706  10.062  -2.668
  652    HB2  LYS  90           HB2      LYS  90 -18.518  10.626  -0.239
  653    HB3  LYS  90           HB3      LYS  90 -19.882  11.742  -0.398
  654    HG2  LYS  90           HG2      LYS  90 -21.353   9.854  -1.048
  655    HG3  LYS  90           HG3      LYS  90 -19.975   8.738  -0.946
  656    HD2  LYS  90           HD2      LYS  90 -19.718   9.295   1.464
  657    HD3  LYS  90           HD3      LYS  90 -21.117  10.370   1.377
  658    HE2  LYS  90           HE2      LYS  90 -21.152   7.371   0.786
  659    HE3  LYS  90           HE3      LYS  90 -21.589   8.093   2.335
  660    HZ1  LYS  90           HZ1      LYS  90 -23.542   7.649   1.026
  661    HZ2  LYS  90           HZ2      LYS  90 -23.401   9.257   1.220
  662    HZ3  LYS  90           HZ3      LYS  90 -23.021   8.564  -0.214
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1   1.637   1.434  -3.247
    2    H2   MET   1           H2       MET   1   3.203   1.369  -2.752
    3    H3   MET   1           H3       MET   1   2.016   1.754  -1.692
    4    HA   MET   1           HA       MET   1   3.201   3.726  -2.288
    5    HB2  MET   1           HB2      MET   1   3.944   2.922  -4.525
    6    HB3  MET   1           HB3      MET   1   2.294   3.094  -5.138
    7    HG2  MET   1           HG2      MET   1   2.381   5.533  -4.627
    8    HG3  MET   1           HG3      MET   1   4.039   5.349  -4.054
    9    HE1  MET   1           HE1      MET   1   6.033   4.646  -7.344
   10    HE2  MET   1           HE2      MET   1   6.124   4.948  -5.596
   11    HE3  MET   1           HE3      MET   1   5.428   3.429  -6.210
   12    H    CYS   2           H        CYS   2   1.991   5.483  -1.686
   13    HA   CYS   2           HA       CYS   2  -0.789   5.749  -2.682
   14    HB2  CYS   2           HB2      CYS   2   0.110   6.188   0.205
   15    HB3  CYS   2           HB3      CYS   2  -1.479   6.588  -0.461
   16    HG   CYS   2           HG       CYS   2  -2.100   4.142  -1.203
   17    H    ILE   3           H        ILE   3  -1.174   7.787  -3.363
   18    HA   ILE   3           HA       ILE   3   0.387  10.106  -2.615
   19    HB   ILE   3           HB       ILE   3   1.884   8.939  -4.193
   20   HG12  ILE   3          HG12      ILE   3   2.426  10.611  -5.762
   21   HG13  ILE   3          HG13      ILE   3   0.848  11.369  -5.673
   22   HG21  ILE   3          HG21      ILE   3   1.351   8.604  -6.549
   23   HG22  ILE   3          HG22      ILE   3   0.268   7.664  -5.524
   24   HG23  ILE   3          HG23      ILE   3  -0.307   9.171  -6.278
   25   HD11  ILE   3          HD11      ILE   3   2.868  11.202  -3.385
   26   HD12  ILE   3          HD12      ILE   3   2.595  12.616  -4.424
   27   HD13  ILE   3          HD13      ILE   3   1.313  12.068  -3.331
   28    H    GLY   4           H        GLY   4  -0.565  11.888  -4.525
   29    HA2  GLY   4           HA2      GLY   4  -3.217  11.384  -5.462
   30    HA3  GLY   4           HA3      GLY   4  -3.279  12.234  -3.906
   31    H    VAL   5           H        VAL   5  -1.117  12.433  -6.827
   32    HA   VAL   5           HA       VAL   5  -1.583  15.331  -6.998
   33    HB   VAL   5           HB       VAL   5   1.204  14.155  -6.590
   34   HG11  VAL   5          HG11      VAL   5   0.276  17.062  -6.743
   35   HG12  VAL   5          HG12      VAL   5   1.934  16.511  -6.424
   36   HG13  VAL   5          HG13      VAL   5   1.202  16.197  -7.992
   37   HG21  VAL   5          HG21      VAL   5   1.264  15.423  -4.445
   38   HG22  VAL   5          HG22      VAL   5  -0.464  15.791  -4.629
   39   HG23  VAL   5          HG23      VAL   5   0.090  14.117  -4.409
   40    HA   PRO   6           HA       PRO   6  -1.081  14.116 -11.336
   41    HB2  PRO   6           HB2      PRO   6  -0.036  16.940 -11.594
   42    HB3  PRO   6           HB3      PRO   6  -1.207  16.074 -12.639
   43    HG2  PRO   6           HG2      PRO   6  -2.074  17.885 -10.818
   44    HG3  PRO   6           HG3      PRO   6  -2.944  16.336 -11.028
   45    HD2  PRO   6           HD2      PRO   6  -0.946  17.090  -8.889
   46    HD3  PRO   6           HD3      PRO   6  -2.502  16.220  -8.733
   47    H    GLY   7           H        GLY   7   0.657  13.963 -12.968
   48    HA2  GLY   7           HA2      GLY   7   3.328  14.923 -12.345
   49    HA3  GLY   7           HA3      GLY   7   3.167  13.157 -12.331
   50    H    GLN   8           H        GLN   8   4.828  14.004 -14.180
   51    HA   GLN   8           HA       GLN   8   3.313  14.064 -16.750
   52    HB2  GLN   8           HB2      GLN   8   4.657  16.154 -16.122
   53    HB3  GLN   8           HB3      GLN   8   6.106  15.158 -16.322
   54    HG2  GLN   8           HG2      GLN   8   5.444  14.704 -18.685
   55    HG3  GLN   8           HG3      GLN   8   3.951  15.616 -18.436
   56   HE21  GLN   8          HE22      GLN   8   4.582  16.984 -20.250
   57   HE22  GLN   8          HE21      GLN   8   5.760  18.261 -20.005
   58    H    ILE   9           H        ILE   9   3.834  12.496 -18.213
   59    HA   ILE   9           HA       ILE   9   5.267  10.146 -17.284
   60    HB   ILE   9           HB       ILE   9   3.998  10.878 -19.961
   61   HG12  ILE   9          HG12      ILE   9   2.974   9.149 -17.654
   62   HG13  ILE   9          HG13      ILE   9   2.401  10.770 -18.032
   63   HG21  ILE   9          HG21      ILE   9   4.890   8.134 -18.954
   64   HG22  ILE   9          HG22      ILE   9   4.136   8.500 -20.520
   65   HG23  ILE   9          HG23      ILE   9   5.755   9.089 -20.176
   66   HD11  ILE   9          HD11      ILE   9   1.567   9.975 -20.220
   67   HD12  ILE   9          HD12      ILE   9   2.020   8.308 -19.765
   68   HD13  ILE   9          HD13      ILE   9   0.802   9.185 -18.831
   69    H    ARG  10           H        ARG  10   7.443  10.573 -16.981
   70    HA   ARG  10           HA       ARG  10   8.808  12.470 -18.742
   71    HB2  ARG  10           HB2      ARG  10   9.007  12.468 -16.239
   72    HB3  ARG  10           HB3      ARG  10   9.727  10.875 -16.318
   73    HG2  ARG  10           HG2      ARG  10  11.490  12.446 -15.973
   74    HG3  ARG  10           HG3      ARG  10  11.659  11.813 -17.605
   75    HD2  ARG  10           HD2      ARG  10  12.073  14.217 -17.573
   76    HD3  ARG  10           HD3      ARG  10  10.629  13.865 -18.518
   77    HE   ARG  10           HE       ARG  10  10.534  14.761 -15.651
   78   HH11  ARG  10          HH21      ARG  10   9.534  15.353 -19.025
   79   HH12  ARG  10          HH22      ARG  10   8.295  16.484 -18.552
   80   HH21  ARG  10          HH11      ARG  10   8.864  16.277 -15.102
   81   HH22  ARG  10          HH12      ARG  10   7.918  16.981 -16.401
   82    H    THR  11           H        THR  11   9.025   8.994 -17.852
   83    HA   THR  11           HA       THR  11  10.107   8.351 -20.497
   84    HB   THR  11           HB       THR  11  11.673   6.733 -19.140
   85    HG1  THR  11           HG1      THR  11  12.352   7.396 -17.236
   86   HG21  THR  11          HG21      THR  11  12.466   8.520 -20.707
   87   HG22  THR  11          HG22      THR  11  12.475   9.665 -19.345
   88   HG23  THR  11          HG23      THR  11  13.550   8.255 -19.334
   89    H    ILE  12           H        ILE  12   9.879   5.981 -20.889
   90    HA   ILE  12           HA       ILE  12   7.731   4.706 -19.283
   91    HB   ILE  12           HB       ILE  12   7.886   4.922 -22.315
   92   HG12  ILE  12          HG12      ILE  12   5.927   6.124 -20.307
   93   HG13  ILE  12          HG13      ILE  12   7.067   6.997 -21.323
   94   HG21  ILE  12          HG21      ILE  12   7.036   2.697 -21.615
   95   HG22  ILE  12          HG22      ILE  12   5.801   3.485 -20.603
   96   HG23  ILE  12          HG23      ILE  12   5.793   3.644 -22.377
   97   HD11  ILE  12          HD11      ILE  12   4.542   5.576 -22.195
   98   HD12  ILE  12          HD12      ILE  12   4.970   7.284 -22.352
   99   HD13  ILE  12          HD13      ILE  12   5.806   6.077 -23.345
  100    H    ASP  13           H        ASP  13   7.947   2.433 -19.165
  101    HA   ASP  13           HA       ASP  13  10.557   1.325 -20.146
  102    HB2  ASP  13           HB2      ASP  13  10.594   1.835 -17.757
  103    HB3  ASP  13           HB3      ASP  13   9.118   0.899 -17.507
  104    H    GLY  14           H        GLY  14   7.087   0.891 -19.962
  105    HA2  GLY  14           HA2      GLY  14   6.853  -1.121 -21.846
  106    HA3  GLY  14           HA3      GLY  14   6.999  -1.965 -20.286
  107    H    ASN  15           H        ASN  15   4.955  -2.480 -19.627
  108    HA   ASN  15           HA       ASN  15   2.596  -0.862 -20.027
  109    HB2  ASN  15           HB2      ASN  15   2.751  -3.387 -19.547
  110    HB3  ASN  15           HB3      ASN  15   3.054  -2.957 -17.864
  111   HD21  ASN  15          HD22      ASN  15   1.162  -2.424 -16.537
  112   HD22  ASN  15          HD21      ASN  15  -0.428  -2.485 -17.220
  113    H    GLN  16           H        GLN  16   5.237   0.044 -18.362
  114    HA   GLN  16           HA       GLN  16   3.843   1.450 -16.175
  115    HB2  GLN  16           HB2      GLN  16   6.393  -0.229 -16.004
  116    HB3  GLN  16           HB3      GLN  16   5.877   0.910 -14.758
  117    HG2  GLN  16           HG2      GLN  16   3.960  -0.394 -14.192
  118    HG3  GLN  16           HG3      GLN  16   4.113  -1.415 -15.626
  119   HE21  GLN  16          HE22      GLN  16   5.997  -0.446 -12.678
  120   HE22  GLN  16          HE21      GLN  16   6.662  -2.051 -12.416
  121    H    ALA  17           H        ALA  17   4.990   3.359 -15.568
  122    HA   ALA  17           HA       ALA  17   7.156   4.286 -17.357
  123    HB1  ALA  17           HB1      ALA  17   4.496   5.707 -16.852
  124    HB2  ALA  17           HB2      ALA  17   5.894   6.437 -17.657
  125    HB3  ALA  17           HB3      ALA  17   5.075   5.053 -18.407
  126    H    LYS  18           H        LYS  18   8.237   6.171 -16.502
  127    HA   LYS  18           HA       LYS  18   8.228   6.151 -13.506
  128    HB2  LYS  18           HB2      LYS  18  10.423   6.718 -15.529
  129    HB3  LYS  18           HB3      LYS  18  10.516   7.197 -13.836
  130    HG2  LYS  18           HG2      LYS  18  11.722   5.175 -14.071
  131    HG3  LYS  18           HG3      LYS  18  10.279   4.860 -13.107
  132    HD2  LYS  18           HD2      LYS  18   9.213   3.710 -14.992
  133    HD3  LYS  18           HD3      LYS  18  10.499   4.243 -16.085
  134    HE2  LYS  18           HE2      LYS  18  10.870   1.936 -15.562
  135    HE3  LYS  18           HE3      LYS  18  12.138   2.881 -14.780
  136    HZ1  LYS  18           HZ1      LYS  18  10.959   2.622 -12.689
  137    HZ2  LYS  18           HZ2      LYS  18   9.699   1.848 -13.415
  138    HZ3  LYS  18           HZ3      LYS  18  11.179   1.149 -13.348
  139    H    VAL  19           H        VAL  19   6.400   7.462 -13.447
  140    HA   VAL  19           HA       VAL  19   6.138   9.914 -14.979
  141    HB   VAL  19           HB       VAL  19   4.641   8.756 -12.583
  142   HG11  VAL  19          HG11      VAL  19   4.324  11.205 -12.673
  143   HG12  VAL  19          HG12      VAL  19   3.828  11.083 -14.377
  144   HG13  VAL  19          HG13      VAL  19   2.843  10.347 -13.093
  145   HG21  VAL  19          HG21      VAL  19   2.901   8.183 -14.251
  146   HG22  VAL  19          HG22      VAL  19   3.926   8.826 -15.552
  147   HG23  VAL  19          HG23      VAL  19   4.425   7.386 -14.649
  148    H    ASP  20           H        ASP  20   6.972  11.859 -14.411
  149    HA   ASP  20           HA       ASP  20   8.456  12.229 -11.882
  150    HB2  ASP  20           HB2      ASP  20   9.448  13.233 -13.832
  151    HB3  ASP  20           HB3      ASP  20   7.908  13.933 -14.339
  152    H    VAL  21           H        VAL  21   7.125  12.404 -10.151
  153    HA   VAL  21           HA       VAL  21   4.436  13.547 -10.421
  154    HB   VAL  21           HB       VAL  21   5.784  12.444  -7.929
  155   HG11  VAL  21          HG11      VAL  21   3.472  12.138  -7.142
  156   HG12  VAL  21          HG12      VAL  21   3.722  13.836  -7.544
  157   HG13  VAL  21          HG13      VAL  21   2.829  12.791  -8.665
  158   HG21  VAL  21          HG21      VAL  21   4.485  10.356  -8.409
  159   HG22  VAL  21          HG22      VAL  21   4.057  11.012 -10.003
  160   HG23  VAL  21          HG23      VAL  21   5.750  10.653  -9.603
  161    H    CYS  22           H        CYS  22   5.711  15.460 -11.242
  162    HA   CYS  22           HA       CYS  22   6.421  17.580 -11.094
  163    HB2  CYS  22           HB2      CYS  22   4.562  17.654  -8.688
  164    HB3  CYS  22           HB3      CYS  22   5.045  19.021  -9.705
  165    HG   CYS  22           HG       CYS  22   3.194  16.354 -10.383
  166    H    GLY  23           H        GLY  23   8.396  15.931  -9.980
  167    HA2  GLY  23           HA2      GLY  23  10.090  17.757  -8.863
  168    HA3  GLY  23           HA3      GLY  23   9.343  17.001  -7.445
  169    H    ILE  24           H        ILE  24   9.042  14.343  -8.272
  170    HA   ILE  24           HA       ILE  24  11.791  13.392  -8.847
  171    HB   ILE  24           HB       ILE  24  10.110  12.398  -6.513
  172   HG12  ILE  24          HG12      ILE  24  10.873  14.707  -5.954
  173   HG13  ILE  24          HG13      ILE  24  11.478  13.455  -4.900
  174   HG21  ILE  24          HG21      ILE  24  11.649  10.714  -7.372
  175   HG22  ILE  24          HG22      ILE  24  13.003  11.848  -7.317
  176   HG23  ILE  24          HG23      ILE  24  12.240  11.289  -5.813
  177   HD11  ILE  24          HD11      ILE  24  13.156  15.226  -5.484
  178   HD12  ILE  24          HD12      ILE  24  13.698  13.578  -5.826
  179   HD13  ILE  24          HD13      ILE  24  13.161  14.623  -7.154
  180    H    GLN  25           H        GLN  25  11.769  11.348  -9.877
  181    HA   GLN  25           HA       GLN  25   9.270  10.579 -11.132
  182    HB2  GLN  25           HB2      GLN  25  12.058   9.386 -11.235
  183    HB3  GLN  25           HB3      GLN  25  10.659   8.721 -12.089
  184    HG2  GLN  25           HG2      GLN  25  10.320  10.920 -13.232
  185    HG3  GLN  25           HG3      GLN  25  11.791  11.527 -12.471
  186   HE21  GLN  25          HE22      GLN  25  10.462   9.410 -14.979
  187   HE22  GLN  25          HE21      GLN  25  11.962   9.077 -15.785
  188    H    ARG  26           H        ARG  26   7.985   8.889 -10.757
  189    HA   ARG  26           HA       ARG  26   8.738   6.839  -8.726
  190    HB2  ARG  26           HB2      ARG  26   6.123   8.423  -8.876
  191    HB3  ARG  26           HB3      ARG  26   6.170   6.786  -8.264
  192    HG2  ARG  26           HG2      ARG  26   6.277   8.028  -6.331
  193    HG3  ARG  26           HG3      ARG  26   7.941   7.524  -6.597
  194    HD2  ARG  26           HD2      ARG  26   8.326   9.874  -7.623
  195    HD3  ARG  26           HD3      ARG  26   6.699  10.265  -7.098
  196    HE   ARG  26           HE       ARG  26   7.429  10.468  -4.947
  197   HH11  ARG  26          HH11      ARG  26  10.026   8.840  -6.795
  198   HH12  ARG  26          HH12      ARG  26  11.076   8.714  -5.430
  199   HH21  ARG  26          HH21      ARG  26   8.907  10.411  -3.194
  200   HH22  ARG  26          HH22      ARG  26  10.463   9.700  -3.374
  201    H    ASP  27           H        ASP  27   8.014   4.751  -9.341
  202    HA   ASP  27           HA       ASP  27   7.343   4.411 -12.167
  203    HB2  ASP  27           HB2      ASP  27   8.785   2.806 -10.910
  204    HB3  ASP  27           HB3      ASP  27   7.386   2.349  -9.929
  205    H    VAL  28           H        VAL  28   5.301   4.128 -12.994
  206    HA   VAL  28           HA       VAL  28   2.995   3.701 -11.180
  207    HB   VAL  28           HB       VAL  28   3.263   5.841 -13.340
  208   HG11  VAL  28          HG11      VAL  28   1.006   6.570 -12.655
  209   HG12  VAL  28          HG12      VAL  28   0.983   4.926 -13.292
  210   HG13  VAL  28          HG13      VAL  28   0.903   5.193 -11.536
  211   HG21  VAL  28          HG21      VAL  28   2.867   7.456 -11.468
  212   HG22  VAL  28          HG22      VAL  28   3.001   6.111 -10.311
  213   HG23  VAL  28          HG23      VAL  28   4.390   6.594 -11.303
  214    H    ASP  29           H        ASP  29   1.667   2.151 -12.019
  215    HA   ASP  29           HA       ASP  29   2.319   0.929 -14.616
  216    HB2  ASP  29           HB2      ASP  29   1.777  -0.467 -12.649
  217    HB3  ASP  29           HB3      ASP  29   0.178   0.277 -12.567
  218    H    LEU  30           H        LEU  30   1.009   0.918 -16.407
  219    HA   LEU  30           HA       LEU  30  -0.937   3.176 -16.517
  220    HB2  LEU  30           HB2      LEU  30   0.921   2.108 -18.677
  221    HB3  LEU  30           HB3      LEU  30  -0.212   3.435 -18.854
  222    HG   LEU  30           HG       LEU  30   2.318   3.415 -17.179
  223   HD11  LEU  30          HD11      LEU  30   2.841   5.361 -18.694
  224   HD12  LEU  30          HD12      LEU  30   2.654   3.823 -19.550
  225   HD13  LEU  30          HD13      LEU  30   1.348   5.035 -19.577
  226   HD21  LEU  30          HD21      LEU  30   0.169   5.577 -17.302
  227   HD22  LEU  30          HD22      LEU  30   0.671   4.652 -15.864
  228   HD23  LEU  30          HD23      LEU  30   1.794   5.783 -16.608
  229    H    THR  31           H        THR  31  -1.427   0.019 -16.170
  230    HA   THR  31           HA       THR  31  -2.571  -0.993 -18.482
  231    HB   THR  31           HB       THR  31  -3.635  -1.326 -15.640
  232    HG1  THR  31           HG1      THR  31  -1.528  -1.817 -15.619
  233   HG21  THR  31          HG21      THR  31  -5.177  -2.368 -17.238
  234   HG22  THR  31          HG22      THR  31  -3.825  -3.164 -18.075
  235   HG23  THR  31          HG23      THR  31  -4.254  -3.622 -16.410
  236    H    LEU  32           H        LEU  32  -4.062   1.385 -16.269
  237    HA   LEU  32           HA       LEU  32  -6.696   1.110 -17.437
  238    HB2  LEU  32           HB2      LEU  32  -5.573   3.266 -15.611
  239    HB3  LEU  32           HB3      LEU  32  -7.275   3.013 -15.977
  240    HG   LEU  32           HG       LEU  32  -5.462   1.098 -14.449
  241   HD11  LEU  32          HD11      LEU  32  -7.854   2.760 -13.547
  242   HD12  LEU  32          HD12      LEU  32  -6.925   1.623 -12.541
  243   HD13  LEU  32          HD13      LEU  32  -6.150   3.082 -13.166
  244   HD21  LEU  32          HD21      LEU  32  -8.411   0.803 -15.182
  245   HD22  LEU  32          HD22      LEU  32  -7.072  -0.249 -15.702
  246   HD23  LEU  32          HD23      LEU  32  -7.544  -0.209 -14.005
  247    H    VAL  33           H        VAL  33  -3.941   2.701 -18.666
  248    HA   VAL  33           HA       VAL  33  -5.643   4.544 -20.283
  249    HB   VAL  33           HB       VAL  33  -3.992   6.312 -20.001
  250   HG11  VAL  33          HG11      VAL  33  -5.941   6.220 -18.461
  251   HG12  VAL  33          HG12      VAL  33  -4.958   5.331 -17.275
  252   HG13  VAL  33          HG13      VAL  33  -4.524   6.984 -17.717
  253   HG21  VAL  33          HG21      VAL  33  -2.244   6.226 -18.268
  254   HG22  VAL  33          HG22      VAL  33  -2.626   4.527 -17.934
  255   HG23  VAL  33          HG23      VAL  33  -1.955   5.007 -19.507
  256    H    GLY  34           H        GLY  34  -2.946   2.337 -20.189
  257    HA2  GLY  34           HA2      GLY  34  -1.807   1.336 -21.899
  258    HA3  GLY  34           HA3      GLY  34  -2.595   2.376 -23.093
  259    H    SER  35           H        SER  35   0.370   1.671 -22.347
  260    HA   SER  35           HA       SER  35   1.596   4.185 -21.707
  261    HB2  SER  35           HB2      SER  35   2.828   1.815 -23.159
  262    HB3  SER  35           HB3      SER  35   3.642   3.037 -22.166
  263    HG   SER  35           HG       SER  35   3.394   1.206 -20.969
  264    H    CYS  36           H        CYS  36   0.201   2.968 -24.626
  265    HA   CYS  36           HA       CYS  36   1.734   4.820 -26.351
  266    HB2  CYS  36           HB2      CYS  36  -0.460   2.809 -27.020
  267    HB3  CYS  36           HB3      CYS  36   0.458   3.778 -28.180
  268    HG   CYS  36           HG       CYS  36   2.823   2.852 -27.553
  269    H    ASP  37           H        ASP  37   0.896   6.640 -27.062
  270    HA   ASP  37           HA       ASP  37  -1.523   7.886 -26.089
  271    HB2  ASP  37           HB2      ASP  37   0.513   9.166 -26.694
  272    HB3  ASP  37           HB3      ASP  37   0.430   8.483 -28.325
  273    H    GLU  38           H        GLU  38  -3.270   8.548 -27.480
  274    HA   GLU  38           HA       GLU  38  -4.515   6.569 -29.023
  275    HB2  GLU  38           HB2      GLU  38  -4.806   9.594 -28.822
  276    HB3  GLU  38           HB3      GLU  38  -5.845   8.632 -29.865
  277    HG2  GLU  38           HG2      GLU  38  -6.937   9.079 -27.744
  278    HG3  GLU  38           HG3      GLU  38  -6.711   7.357 -28.025
  279    H    ASN  39           H        ASN  39  -2.129   9.030 -30.063
  280    HA   ASN  39           HA       ASN  39  -2.681   8.712 -32.879
  281    HB2  ASN  39           HB2      ASN  39  -1.637  10.732 -31.721
  282    HB3  ASN  39           HB3      ASN  39  -0.159   9.776 -31.566
  283   HD21  ASN  39          HD22      ASN  39  -2.563  10.829 -34.008
  284   HD22  ASN  39          HD21      ASN  39  -1.414  11.046 -35.307
  285    H    GLY  40           H        GLY  40  -1.045   6.616 -30.677
  286    HA2  GLY  40           HA2      GLY  40   0.018   4.615 -31.171
  287    HA3  GLY  40           HA3      GLY  40   0.102   5.041 -32.885
  288    H    GLN  41           H        GLN  41   1.283   6.601 -29.860
  289    HA   GLN  41           HA       GLN  41   4.101   6.371 -30.630
  290    HB2  GLN  41           HB2      GLN  41   4.481   8.793 -30.332
  291    HB3  GLN  41           HB3      GLN  41   3.363   8.495 -31.665
  292    HG2  GLN  41           HG2      GLN  41   1.456   9.021 -30.173
  293    HG3  GLN  41           HG3      GLN  41   2.574   9.384 -28.853
  294   HE21  GLN  41          HE22      GLN  41   0.589  11.179 -29.836
  295   HE22  GLN  41          HE21      GLN  41   1.433  12.556 -30.533
  296    HA   PRO  42           HA       PRO  42   4.163   5.875 -26.156
  297    HB2  PRO  42           HB2      PRO  42   6.516   7.106 -25.345
  298    HB3  PRO  42           HB3      PRO  42   6.423   5.497 -26.117
  299    HG2  PRO  42           HG2      PRO  42   7.043   8.165 -27.409
  300    HG3  PRO  42           HG3      PRO  42   7.878   6.598 -27.639
  301    HD2  PRO  42           HD2      PRO  42   6.025   7.520 -29.400
  302    HD3  PRO  42           HD3      PRO  42   6.140   5.779 -29.013
  303    H    ARG  43           H        ARG  43   3.260   6.989 -24.402
  304    HA   ARG  43           HA       ARG  43   2.273   9.634 -24.824
  305    HB2  ARG  43           HB2      ARG  43   2.314   7.874 -22.330
  306    HB3  ARG  43           HB3      ARG  43   1.475   9.421 -22.444
  307    HG2  ARG  43           HG2      ARG  43   0.154   8.506 -24.389
  308    HG3  ARG  43           HG3      ARG  43   0.783   6.909 -23.948
  309    HD2  ARG  43           HD2      ARG  43  -0.055   7.272 -21.612
  310    HD3  ARG  43           HD3      ARG  43  -0.758   8.811 -22.118
  311    HE   ARG  43           HE       ARG  43  -1.720   6.110 -22.593
  312   HH11  ARG  43          HH11      ARG  43  -1.960   9.469 -23.878
  313   HH12  ARG  43          HH12      ARG  43  -3.446   9.101 -24.744
  314   HH21  ARG  43          HH21      ARG  43  -3.788   5.838 -23.464
  315   HH22  ARG  43          HH22      ARG  43  -4.498   7.056 -24.501
  316    H    VAL  44           H        VAL  44   5.408   9.429 -24.544
  317    HA   VAL  44           HA       VAL  44   6.109  10.605 -22.049
  318    HB   VAL  44           HB       VAL  44   8.196  11.284 -23.285
  319   HG11  VAL  44          HG11      VAL  44   8.011   9.201 -22.000
  320   HG12  VAL  44          HG12      VAL  44   7.389   8.350 -23.433
  321   HG13  VAL  44          HG13      VAL  44   9.047   8.985 -23.417
  322   HG21  VAL  44          HG21      VAL  44   8.676  10.321 -25.476
  323   HG22  VAL  44          HG22      VAL  44   7.029   9.684 -25.607
  324   HG23  VAL  44          HG23      VAL  44   7.311  11.436 -25.602
  325    H    GLY  45           H        GLY  45   6.096  12.632 -21.317
  326    HA2  GLY  45           HA2      GLY  45   6.058  14.957 -21.392
  327    HA3  GLY  45           HA3      GLY  45   5.620  14.929 -23.102
  328    H    GLN  46           H        GLN  46   3.387  12.786 -22.156
  329    HA   GLN  46           HA       GLN  46   1.306  14.807 -21.769
  330    HB2  GLN  46           HB2      GLN  46   1.150  11.760 -21.675
  331    HB3  GLN  46           HB3      GLN  46  -0.220  12.877 -21.652
  332    HG2  GLN  46           HG2      GLN  46   0.542  13.811 -23.845
  333    HG3  GLN  46           HG3      GLN  46   1.793  12.572 -23.926
  334   HE21  GLN  46          HE22      GLN  46  -0.004  12.837 -25.976
  335   HE22  GLN  46          HE21      GLN  46  -1.104  11.468 -26.005
  336    H    TRP  47           H        TRP  47  -0.227  14.601 -19.862
  337    HA   TRP  47           HA       TRP  47   1.355  14.174 -17.375
  338    HB2  TRP  47           HB2      TRP  47  -0.870  16.138 -17.964
  339    HB3  TRP  47           HB3      TRP  47  -0.201  15.824 -16.370
  340    HD1  TRP  47           HD1      TRP  47   0.966  17.134 -19.807
  341    HE1  TRP  47           HE1      TRP  47   2.769  18.915 -19.481
  342    HE3  TRP  47           HE3      TRP  47   1.515  16.759 -14.732
  343    HZ2  TRP  47           HZ2      TRP  47   4.327  19.985 -17.282
  344    HZ3  TRP  47           HZ3      TRP  47   3.172  18.174 -13.552
  345    HH2  TRP  47           HH2      TRP  47   4.584  19.784 -14.808
  346    H    VAL  48           H        VAL  48   0.054  13.459 -15.506
  347    HA   VAL  48           HA       VAL  48  -2.311  11.845 -16.176
  348    HB   VAL  48           HB       VAL  48  -0.360  10.589 -17.005
  349   HG11  VAL  48          HG11      VAL  48   1.421  11.404 -15.517
  350   HG12  VAL  48          HG12      VAL  48   0.674  10.552 -14.148
  351   HG13  VAL  48          HG13      VAL  48   1.330   9.641 -15.522
  352   HG21  VAL  48          HG21      VAL  48  -0.762   8.472 -15.969
  353   HG22  VAL  48          HG22      VAL  48  -1.519   9.237 -14.556
  354   HG23  VAL  48          HG23      VAL  48  -2.288   9.340 -16.161
  355    H    LEU  49           H        LEU  49  -3.438  11.170 -14.372
  356    HA   LEU  49           HA       LEU  49  -2.802  12.491 -11.777
  357    HB2  LEU  49           HB2      LEU  49  -5.189  10.921 -12.834
  358    HB3  LEU  49           HB3      LEU  49  -5.089  11.571 -11.194
  359    HG   LEU  49           HG       LEU  49  -5.115  13.205 -13.766
  360   HD11  LEU  49          HD11      LEU  49  -7.400  13.815 -13.109
  361   HD12  LEU  49          HD12      LEU  49  -7.248  12.064 -13.325
  362   HD13  LEU  49          HD13      LEU  49  -7.293  12.750 -11.686
  363   HD21  LEU  49          HD21      LEU  49  -5.504  15.140 -12.241
  364   HD22  LEU  49          HD22      LEU  49  -5.217  14.082 -10.841
  365   HD23  LEU  49          HD23      LEU  49  -3.913  14.413 -12.009
  366    H    VAL  50           H        VAL  50  -2.233  11.217  -9.950
  367    HA   VAL  50           HA       VAL  50  -2.158   8.273 -10.306
  368    HB   VAL  50           HB       VAL  50   0.158   9.899  -9.172
  369   HG11  VAL  50          HG11      VAL  50   1.410   7.798  -9.428
  370   HG12  VAL  50          HG12      VAL  50  -0.003   7.531  -8.417
  371   HG13  VAL  50          HG13      VAL  50  -0.025   6.997 -10.111
  372   HG21  VAL  50          HG21      VAL  50   1.421   9.351 -11.251
  373   HG22  VAL  50          HG22      VAL  50  -0.087   8.769 -11.995
  374   HG23  VAL  50          HG23      VAL  50   0.106  10.480 -11.542
  375    H    HIS  51           H        HIS  51  -2.570   7.172  -8.380
  376    HA   HIS  51           HA       HIS  51  -2.781   8.726  -5.862
  377    HB2  HIS  51           HB2      HIS  51  -4.976   8.846  -6.836
  378    HB3  HIS  51           HB3      HIS  51  -5.024   7.102  -7.106
  379    HD1  HIS  51           HD1      HIS  51  -3.968   8.616  -3.699
  380    HD2  HIS  51           HD2      HIS  51  -7.199   6.721  -5.629
  381    HE1  HIS  51           HE1      HIS  51  -5.657   8.044  -1.880
  382    H    VAL  52           H        VAL  52  -2.815   5.450  -7.389
  383    HA   VAL  52           HA       VAL  52  -1.704   4.368  -4.839
  384    HB   VAL  52           HB       VAL  52  -3.109   2.363  -5.258
  385   HG11  VAL  52          HG11      VAL  52  -4.720   4.915  -4.916
  386   HG12  VAL  52          HG12      VAL  52  -5.150   3.289  -4.360
  387   HG13  VAL  52          HG13      VAL  52  -3.762   4.127  -3.646
  388   HG21  VAL  52          HG21      VAL  52  -4.613   4.088  -7.288
  389   HG22  VAL  52          HG22      VAL  52  -3.576   2.701  -7.697
  390   HG23  VAL  52          HG23      VAL  52  -5.038   2.460  -6.737
  391    H    GLY  53           H        GLY  53  -0.182   5.204  -7.200
  392    HA2  GLY  53           HA2      GLY  53   1.641   4.399  -8.367
  393    HA3  GLY  53           HA3      GLY  53   1.377   2.796  -7.667
  394    H    PHE  54           H        PHE  54  -1.361   4.253  -9.259
  395    HA   PHE  54           HA       PHE  54  -0.811   2.937 -11.850
  396    HB2  PHE  54           HB2      PHE  54  -3.359   2.746 -10.189
  397    HB3  PHE  54           HB3      PHE  54  -3.334   2.510 -11.923
  398    HD1  PHE  54           HD1      PHE  54  -1.974   1.118  -8.720
  399    HD2  PHE  54           HD2      PHE  54  -2.745   0.430 -12.909
  400    HE1  PHE  54           HE1      PHE  54  -1.445  -1.286  -8.424
  401    HE2  PHE  54           HE2      PHE  54  -2.231  -1.972 -12.605
  402    HZ   PHE  54           HZ       PHE  54  -1.574  -2.839 -10.366
  403    H    ALA  55           H        ALA  55  -1.529   4.180 -13.557
  404    HA   ALA  55           HA       ALA  55  -2.099   6.988 -13.192
  405    HB1  ALA  55           HB1      ALA  55  -1.023   6.207 -15.217
  406    HB2  ALA  55           HB2      ALA  55  -2.358   5.078 -15.563
  407    HB3  ALA  55           HB3      ALA  55  -2.629   6.826 -15.665
  408    H    MET  56           H        MET  56  -4.044   7.844 -12.600
  409    HA   MET  56           HA       MET  56  -6.470   6.191 -12.536
  410    HB2  MET  56           HB2      MET  56  -6.264   9.194 -12.133
  411    HB3  MET  56           HB3      MET  56  -7.570   8.134 -11.641
  412    HG2  MET  56           HG2      MET  56  -6.148   7.099  -9.941
  413    HG3  MET  56           HG3      MET  56  -4.740   7.988 -10.530
  414    HE1  MET  56           HE1      MET  56  -7.995   8.086  -8.425
  415    HE2  MET  56           HE2      MET  56  -8.242   9.819  -8.120
  416    HE3  MET  56           HE3      MET  56  -8.520   9.160  -9.744
  417    H    SER  57           H        SER  57  -5.282   9.060 -14.384
  418    HA   SER  57           HA       SER  57  -6.533   8.227 -16.838
  419    HB2  SER  57           HB2      SER  57  -7.573  10.691 -15.348
  420    HB3  SER  57           HB3      SER  57  -7.845  10.389 -17.072
  421    HG   SER  57           HG       SER  57  -8.482   8.307 -15.356
  422    H    VAL  58           H        VAL  58  -5.634   9.440 -18.571
  423    HA   VAL  58           HA       VAL  58  -3.240  11.070 -18.004
  424    HB   VAL  58           HB       VAL  58  -4.546   9.931 -20.504
  425   HG11  VAL  58          HG11      VAL  58  -3.568  12.096 -21.179
  426   HG12  VAL  58          HG12      VAL  58  -2.023  11.639 -20.423
  427   HG13  VAL  58          HG13      VAL  58  -2.643  10.740 -21.821
  428   HG21  VAL  58          HG21      VAL  58  -1.791   9.443 -19.279
  429   HG22  VAL  58          HG22      VAL  58  -3.196   8.404 -19.006
  430   HG23  VAL  58          HG23      VAL  58  -2.545   8.566 -20.633
  431    H    ILE  59           H        ILE  59  -3.154  13.291 -18.595
  432    HA   ILE  59           HA       ILE  59  -5.675  14.690 -19.225
  433    HB   ILE  59           HB       ILE  59  -5.372  16.232 -17.367
  434   HG12  ILE  59          HG12      ILE  59  -3.161  14.393 -16.366
  435   HG13  ILE  59          HG13      ILE  59  -2.953  16.024 -17.018
  436   HG21  ILE  59          HG21      ILE  59  -5.557  13.410 -16.253
  437   HG22  ILE  59          HG22      ILE  59  -6.311  14.887 -15.618
  438   HG23  ILE  59          HG23      ILE  59  -6.857  14.223 -17.155
  439   HD11  ILE  59          HD11      ILE  59  -4.359  15.284 -14.440
  440   HD12  ILE  59          HD12      ILE  59  -2.833  16.147 -14.631
  441   HD13  ILE  59          HD13      ILE  59  -4.359  16.911 -15.146
  442    H    ASN  60           H        ASN  60  -5.243  16.992 -19.762
  443    HA   ASN  60           HA       ASN  60  -2.681  17.241 -21.220
  444    HB2  ASN  60           HB2      ASN  60  -3.609  19.049 -22.402
  445    HB3  ASN  60           HB3      ASN  60  -4.827  17.795 -22.345
  446   HD21  ASN  60          HD22      ASN  60  -6.795  18.903 -22.367
  447   HD22  ASN  60          HD21      ASN  60  -7.163  20.266 -21.343
  448    H    GLU  61           H        GLU  61  -1.747  19.618 -21.151
  449    HA   GLU  61           HA       GLU  61  -0.547  19.704 -18.579
  450    HB2  GLU  61           HB2      GLU  61  -0.338  21.928 -20.637
  451    HB3  GLU  61           HB3      GLU  61   0.836  21.422 -19.421
  452    HG2  GLU  61           HG2      GLU  61   0.774  19.136 -20.811
  453    HG3  GLU  61           HG3      GLU  61   0.147  20.166 -22.081
  454    H    ALA  62           H        ALA  62  -3.295  21.519 -19.884
  455    HA   ALA  62           HA       ALA  62  -3.107  23.690 -17.903
  456    HB1  ALA  62           HB1      ALA  62  -5.377  22.906 -19.788
  457    HB2  ALA  62           HB2      ALA  62  -5.266  24.384 -18.820
  458    HB3  ALA  62           HB3      ALA  62  -4.112  24.107 -20.137
  459    H    GLU  63           H        GLU  63  -4.949  20.654 -18.432
  460    HA   GLU  63           HA       GLU  63  -6.557  20.792 -16.068
  461    HB2  GLU  63           HB2      GLU  63  -5.445  18.450 -17.653
  462    HB3  GLU  63           HB3      GLU  63  -6.591  18.266 -16.321
  463    HG2  GLU  63           HG2      GLU  63  -8.261  19.589 -17.517
  464    HG3  GLU  63           HG3      GLU  63  -7.145  19.868 -18.852
  465    H    ALA  64           H        ALA  64  -3.249  19.479 -16.668
  466    HA   ALA  64           HA       ALA  64  -2.849  18.453 -14.052
  467    HB1  ALA  64           HB1      ALA  64  -1.412  17.917 -16.003
  468    HB2  ALA  64           HB2      ALA  64  -0.775  19.575 -15.995
  469    HB3  ALA  64           HB3      ALA  64  -0.466  18.501 -14.617
  470    H    ARG  65           H        ARG  65  -1.981  21.676 -15.426
  471    HA   ARG  65           HA       ARG  65  -0.909  22.683 -12.968
  472    HB2  ARG  65           HB2      ARG  65  -2.009  24.028 -15.462
  473    HB3  ARG  65           HB3      ARG  65  -1.371  24.952 -14.096
  474    HG2  ARG  65           HG2      ARG  65   0.805  23.939 -14.268
  475    HG3  ARG  65           HG3      ARG  65   0.266  22.778 -15.484
  476    HD2  ARG  65           HD2      ARG  65   0.259  25.796 -15.888
  477    HD3  ARG  65           HD3      ARG  65   1.582  24.723 -16.387
  478    HE   ARG  65           HE       ARG  65  -0.624  23.555 -17.513
  479   HH11  ARG  65          HH11      ARG  65   0.861  26.775 -17.733
  480   HH12  ARG  65          HH12      ARG  65   0.309  27.095 -19.334
  481   HH21  ARG  65          HH21      ARG  65  -1.395  24.000 -19.679
  482   HH22  ARG  65          HH22      ARG  65  -0.987  25.479 -20.456
  483    H    ASP  66           H        ASP  66  -4.260  22.830 -14.297
  484    HA   ASP  66           HA       ASP  66  -5.327  24.432 -12.199
  485    HB2  ASP  66           HB2      ASP  66  -6.545  24.021 -14.271
  486    HB3  ASP  66           HB3      ASP  66  -6.630  22.292 -13.922
  487    H    THR  67           H        THR  67  -4.945  20.861 -12.489
  488    HA   THR  67           HA       THR  67  -6.214  20.297  -9.986
  489    HB   THR  67           HB       THR  67  -4.156  18.625 -11.485
  490    HG1  THR  67           HG1      THR  67  -5.799  19.090 -12.872
  491   HG21  THR  67          HG21      THR  67  -5.391  16.720 -10.438
  492   HG22  THR  67          HG22      THR  67  -4.638  17.756  -9.223
  493   HG23  THR  67          HG23      THR  67  -6.383  17.876  -9.526
  494    H    LEU  68           H        LEU  68  -2.776  20.970 -10.865
  495    HA   LEU  68           HA       LEU  68  -1.735  20.479  -8.235
  496    HB2  LEU  68           HB2      LEU  68  -0.785  22.186 -10.567
  497    HB3  LEU  68           HB3      LEU  68   0.122  22.081  -9.066
  498    HG   LEU  68           HG       LEU  68  -0.604  19.615 -10.689
  499   HD11  LEU  68          HD11      LEU  68   1.662  19.692 -11.610
  500   HD12  LEU  68          HD12      LEU  68   0.751  21.128 -12.078
  501   HD13  LEU  68          HD13      LEU  68   1.969  21.239 -10.786
  502   HD21  LEU  68          HD21      LEU  68   1.534  20.069  -8.561
  503   HD22  LEU  68          HD22      LEU  68   0.004  19.211  -8.300
  504   HD23  LEU  68          HD23      LEU  68   1.193  18.550  -9.418
  505    H    ASP  69           H        ASP  69  -3.132  23.421  -9.767
  506    HA   ASP  69           HA       ASP  69  -2.591  25.148  -7.546
  507    HB2  ASP  69           HB2      ASP  69  -3.217  26.031  -9.727
  508    HB3  ASP  69           HB3      ASP  69  -4.794  25.244  -9.640
  509    H    ALA  70           H        ALA  70  -5.435  23.072  -8.342
  510    HA   ALA  70           HA       ALA  70  -6.957  23.742  -6.039
  511    HB1  ALA  70           HB1      ALA  70  -6.913  21.132  -7.624
  512    HB2  ALA  70           HB2      ALA  70  -8.190  21.666  -6.514
  513    HB3  ALA  70           HB3      ALA  70  -7.884  22.572  -8.010
  514    H    LEU  71           H        LEU  71  -4.539  21.128  -6.557
  515    HA   LEU  71           HA       LEU  71  -4.709  19.874  -4.050
  516    HB2  LEU  71           HB2      LEU  71  -3.513  19.030  -6.020
  517    HB3  LEU  71           HB3      LEU  71  -2.318  20.302  -5.898
  518    HG   LEU  71           HG       LEU  71  -1.628  18.014  -5.188
  519   HD11  LEU  71          HD11      LEU  71  -0.374  20.045  -4.486
  520   HD12  LEU  71          HD12      LEU  71  -1.259  20.025  -2.942
  521   HD13  LEU  71          HD13      LEU  71  -0.218  18.670  -3.387
  522   HD21  LEU  71          HD21      LEU  71  -3.296  18.517  -2.701
  523   HD22  LEU  71          HD22      LEU  71  -3.684  17.354  -3.989
  524   HD23  LEU  71          HD23      LEU  71  -2.226  17.136  -3.008
  525    H    GLN  72           H        GLN  72  -2.814  22.751  -5.041
  526    HA   GLN  72           HA       GLN  72  -1.693  23.138  -2.381
  527    HB2  GLN  72           HB2      GLN  72  -1.687  24.774  -4.952
  528    HB3  GLN  72           HB3      GLN  72  -0.826  25.270  -3.492
  529    HG2  GLN  72           HG2      GLN  72   0.609  23.341  -3.533
  530    HG3  GLN  72           HG3      GLN  72  -0.313  22.586  -4.833
  531   HE21  GLN  72          HE22      GLN  72  -0.359  23.647  -6.944
  532   HE22  GLN  72          HE21      GLN  72   1.020  24.612  -7.467
  533    H    ASN  73           H        ASN  73  -4.842  23.510  -3.213
  534    HA   ASN  73           HA       ASN  73  -5.177  25.863  -1.394
  535    HB2  ASN  73           HB2      ASN  73  -6.429  25.396  -4.113
  536    HB3  ASN  73           HB3      ASN  73  -7.267  26.324  -2.881
  537   HD21  ASN  73          HD22      ASN  73  -4.503  26.335  -5.058
  538   HD22  ASN  73          HD21      ASN  73  -4.075  28.016  -4.797
  539    H    MET  74           H        MET  74  -6.144  22.593  -2.141
  540    HA   MET  74           HA       MET  74  -8.689  22.521  -1.088
  541    HB2  MET  74           HB2      MET  74  -8.380  20.178  -0.736
  542    HB3  MET  74           HB3      MET  74  -7.511  20.648  -2.198
  543    HG2  MET  74           HG2      MET  74  -5.390  20.718  -0.824
  544    HG3  MET  74           HG3      MET  74  -6.312  20.096   0.547
  545    HE1  MET  74           HE1      MET  74  -3.679  18.779  -0.340
  546    HE2  MET  74           HE2      MET  74  -4.700  18.104   0.951
  547    HE3  MET  74           HE3      MET  74  -4.095  17.051  -0.347
  548    H    PHE  75           H        PHE  75  -5.693  22.871   0.705
  549    HA   PHE  75           HA       PHE  75  -6.961  22.443   3.322
  550    HB2  PHE  75           HB2      PHE  75  -4.599  22.738   4.121
  551    HB3  PHE  75           HB3      PHE  75  -4.849  21.415   3.005
  552    HD1  PHE  75           HD2      PHE  75  -3.584  24.962   3.146
  553    HD2  PHE  75           HD1      PHE  75  -3.543  21.182   1.057
  554    HE1  PHE  75           HE2      PHE  75  -1.733  25.768   1.710
  555    HE2  PHE  75           HE1      PHE  75  -1.680  21.984  -0.354
  556    HZ   PHE  75           HZ       PHE  75  -0.768  24.283  -0.037
  557    H    ASP  76           H        ASP  76  -7.285  24.924   1.319
  558    HA   ASP  76           HA       ASP  76  -7.141  26.976   3.485
  559    HB2  ASP  76           HB2      ASP  76  -5.333  27.390   1.895
  560    HB3  ASP  76           HB3      ASP  76  -6.469  27.324   0.544
  561    H    VAL  77           H        VAL  77  -8.797  25.866   0.467
  562    HA   VAL  77           HA       VAL  77 -11.053  27.624   0.873
  563    HB   VAL  77           HB       VAL  77 -12.189  26.300  -0.804
  564   HG11  VAL  77          HG11      VAL  77 -10.683  26.674  -2.678
  565   HG12  VAL  77          HG12      VAL  77 -10.534  27.999  -1.513
  566   HG13  VAL  77          HG13      VAL  77  -9.280  26.745  -1.595
  567   HG21  VAL  77          HG21      VAL  77  -9.845  24.366  -0.686
  568   HG22  VAL  77          HG22      VAL  77 -11.518  24.017  -0.231
  569   HG23  VAL  77          HG23      VAL  77 -11.120  24.366  -1.916
  570    H    GLU  78           H        GLU  78 -10.009  24.795   2.504
  571    HA   GLU  78           HA       GLU  78 -12.446  24.751   4.144
  572    HB2  GLU  78           HB2      GLU  78 -11.106  22.306   2.871
  573    HB3  GLU  78           HB3      GLU  78 -12.155  22.207   4.275
  574    HG2  GLU  78           HG2      GLU  78 -14.013  23.236   2.960
  575    HG3  GLU  78           HG3      GLU  78 -12.981  23.233   1.528
  576    HA   PRO  79           HA       PRO  79  -9.141  24.701   7.168
  577    HB2  PRO  79           HB2      PRO  79 -10.249  23.421   9.329
  578    HB3  PRO  79           HB3      PRO  79 -10.730  25.062   8.805
  579    HG2  PRO  79           HG2      PRO  79 -12.085  22.426   8.154
  580    HG3  PRO  79           HG3      PRO  79 -12.840  23.936   8.760
  581    HD2  PRO  79           HD2      PRO  79 -12.841  23.309   6.122
  582    HD3  PRO  79           HD3      PRO  79 -12.616  24.998   6.661
  583    H    ASP  80           H        ASP  80 -10.459  21.764   5.881
  584    HA   ASP  80           HA       ASP  80  -9.872  19.606   5.812
  585    HB2  ASP  80           HB2      ASP  80  -8.190  20.571   4.340
  586    HB3  ASP  80           HB3      ASP  80  -7.081  20.784   5.693
  587    H    VAL  81           H        VAL  81  -6.897  19.338   7.353
  588    HA   VAL  81           HA       VAL  81  -7.865  17.813   9.476
  589    HB   VAL  81           HB       VAL  81  -5.616  17.731   8.482
  590   HG11  VAL  81          HG11      VAL  81  -5.090  20.152   8.356
  591   HG12  VAL  81          HG12      VAL  81  -4.950  20.209  10.127
  592   HG13  VAL  81          HG13      VAL  81  -3.823  19.231   9.172
  593   HG21  VAL  81          HG21      VAL  81  -6.052  16.634  10.643
  594   HG22  VAL  81          HG22      VAL  81  -4.371  17.171  10.480
  595   HG23  VAL  81          HG23      VAL  81  -5.499  18.093  11.491
  596    H    GLY  82           H        GLY  82  -7.570  21.319   9.335
  597    HA2  GLY  82           HA2      GLY  82  -7.577  22.029  12.069
  598    HA3  GLY  82           HA3      GLY  82  -8.280  22.947  10.732
  599    H    ALA  83           H        ALA  83 -10.145  20.557  10.098
  600    HA   ALA  83           HA       ALA  83 -12.374  21.387  11.637
  601    HB1  ALA  83           HB1      ALA  83 -11.970  18.810  10.061
  602    HB2  ALA  83           HB2      ALA  83 -13.525  19.491  10.576
  603    HB3  ALA  83           HB3      ALA  83 -12.537  20.356   9.386
  604    H    LEU  84           H        LEU  84  -9.824  19.237  12.551
  605    HA   LEU  84           HA       LEU  84 -11.387  18.499  14.989
  606    HB2  LEU  84           HB2      LEU  84 -11.276  16.569  13.451
  607    HB3  LEU  84           HB3      LEU  84  -9.519  16.719  13.372
  608    HG   LEU  84           HG       LEU  84  -9.334  16.140  15.770
  609   HD11  LEU  84          HD11      LEU  84 -12.372  15.828  15.665
  610   HD12  LEU  84          HD12      LEU  84 -11.328  15.266  16.990
  611   HD13  LEU  84          HD13      LEU  84 -11.465  16.992  16.656
  612   HD21  LEU  84          HD21      LEU  84  -9.989  13.786  15.570
  613   HD22  LEU  84          HD22      LEU  84 -11.033  14.174  14.184
  614   HD23  LEU  84          HD23      LEU  84  -9.271  14.371  14.063
  615    H    LEU  85           H        LEU  85  -8.252  19.284  13.454
  616    HA   LEU  85           HA       LEU  85  -6.699  19.165  15.870
  617    HB2  LEU  85           HB2      LEU  85  -5.769  18.934  13.610
  618    HB3  LEU  85           HB3      LEU  85  -6.260  20.581  13.211
  619    HG   LEU  85           HG       LEU  85  -4.651  21.485  14.861
  620   HD11  LEU  85          HD11      LEU  85  -2.939  19.975  15.858
  621   HD12  LEU  85          HD12      LEU  85  -4.549  19.638  16.495
  622   HD13  LEU  85          HD13      LEU  85  -3.844  18.563  15.266
  623   HD21  LEU  85          HD21      LEU  85  -3.989  21.158  12.521
  624   HD22  LEU  85          HD22      LEU  85  -2.619  20.915  13.612
  625   HD23  LEU  85          HD23      LEU  85  -3.436  19.510  12.888
  626    H    TYR  86           H        TYR  86  -8.845  21.625  14.507
  627    HA   TYR  86           HA       TYR  86  -7.853  23.624  16.476
  628    HB2  TYR  86           HB2      TYR  86  -7.052  23.881  14.074
  629    HB3  TYR  86           HB3      TYR  86  -8.722  24.178  13.619
  630    HD1  TYR  86           HD2      TYR  86  -6.158  25.366  16.126
  631    HD2  TYR  86           HD1      TYR  86  -9.371  26.433  13.450
  632    HE1  TYR  86           HE2      TYR  86  -5.792  27.752  16.657
  633    HE2  TYR  86           HE1      TYR  86  -9.016  28.830  13.974
  634    HH   TYR  86           HH       TYR  86  -6.481  29.947  16.270
  635    H    GLY  87           H        GLY  87 -10.142  21.700  16.632
  636    HA2  GLY  87           HA2      GLY  87 -11.917  23.394  17.976
  637    HA3  GLY  87           HA3      GLY  87 -12.651  22.985  16.407
  638    H    GLU  88           H        GLU  88 -13.883  22.050  18.737
  639    HA   GLU  88           HA       GLU  88 -13.146  19.342  19.393
  640    HB2  GLU  88           HB2      GLU  88 -15.856  20.748  19.407
  641    HB3  GLU  88           HB3      GLU  88 -15.554  19.154  20.093
  642    HG2  GLU  88           HG2      GLU  88 -14.262  21.760  21.018
  643    HG3  GLU  88           HG3      GLU  88 -15.595  20.932  21.808
  644    H    GLU  89           H        GLU  89 -15.166  20.853  16.896
  645    HA   GLU  89           HA       GLU  89 -14.488  18.982  14.919
  646    HB2  GLU  89           HB2      GLU  89 -16.694  18.159  14.315
  647    HB3  GLU  89           HB3      GLU  89 -16.186  17.548  15.877
  648    HG2  GLU  89           HG2      GLU  89 -17.645  19.256  17.005
  649    HG3  GLU  89           HG3      GLU  89 -18.163  19.836  15.421
  650    H    LYS  90           H        LYS  90 -15.752  19.761  12.806
  651    HA   LYS  90           HA       LYS  90 -16.935  22.425  12.991
  652    HB2  LYS  90           HB2      LYS  90 -14.588  21.862  11.122
  653    HB3  LYS  90           HB3      LYS  90 -15.602  23.303  11.123
  654    HG2  LYS  90           HG2      LYS  90 -14.829  23.803  13.469
  655    HG3  LYS  90           HG3      LYS  90 -13.703  22.436  13.341
  656    HD2  LYS  90           HD2      LYS  90 -12.735  23.576  11.269
  657    HD3  LYS  90           HD3      LYS  90 -13.696  24.998  11.680
  658    HE2  LYS  90           HE2      LYS  90 -11.658  23.644  13.515
  659    HE3  LYS  90           HE3      LYS  90 -11.296  25.034  12.495
  660    HZ1  LYS  90           HZ1      LYS  90 -12.791  26.369  13.770
  661    HZ2  LYS  90           HZ2      LYS  90 -13.366  25.090  14.615
  662    HZ3  LYS  90           HZ3      LYS  90 -11.822  25.570  14.833
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  -0.285   2.249  -4.406
    2    H2   MET   1           H2       MET   1   0.792   1.084  -3.956
    3    H3   MET   1           H3       MET   1  -0.291   1.674  -2.875
    4    HA   MET   1           HA       MET   1   1.854   2.585  -2.419
    5    HB2  MET   1           HB2      MET   1   2.600   2.391  -4.841
    6    HB3  MET   1           HB3      MET   1   1.680   3.858  -5.188
    7    HG2  MET   1           HG2      MET   1   3.102   5.125  -3.616
    8    HG3  MET   1           HG3      MET   1   3.944   3.638  -3.158
    9    HE1  MET   1           HE1      MET   1   5.395   6.352  -4.050
   10    HE2  MET   1           HE2      MET   1   6.258   4.873  -3.566
   11    HE3  MET   1           HE3      MET   1   6.682   5.694  -5.084
   12    H    CYS   2           H        CYS   2   1.982   4.818  -1.509
   13    HA   CYS   2           HA       CYS   2  -0.615   5.780  -0.866
   14    HB2  CYS   2           HB2      CYS   2   0.715   7.554   0.353
   15    HB3  CYS   2           HB3      CYS   2   1.134   5.885   0.757
   16    HG   CYS   2           HG       CYS   2   3.301   7.353   0.727
   17    H    ILE   3           H        ILE   3   1.552   6.763  -3.444
   18    HA   ILE   3           HA       ILE   3   0.879   9.480  -3.605
   19    HB   ILE   3           HB       ILE   3   1.820   9.386  -5.886
   20   HG12  ILE   3          HG12      ILE   3   1.946   6.363  -5.457
   21   HG13  ILE   3          HG13      ILE   3   0.937   7.209  -6.626
   22   HG21  ILE   3          HG21      ILE   3   3.478   7.792  -3.876
   23   HG22  ILE   3          HG22      ILE   3   4.074   8.843  -5.176
   24   HG23  ILE   3          HG23      ILE   3   3.218   9.547  -3.809
   25   HD11  ILE   3          HD11      ILE   3   2.992   8.049  -7.766
   26   HD12  ILE   3          HD12      ILE   3   3.972   7.082  -6.631
   27   HD13  ILE   3          HD13      ILE   3   2.867   6.275  -7.739
   28    H    GLY   4           H        GLY   4  -0.490  10.703  -4.906
   29    HA2  GLY   4           HA2      GLY   4  -2.607   9.529  -6.503
   30    HA3  GLY   4           HA3      GLY   4  -3.125  10.006  -4.878
   31    H    VAL   5           H        VAL   5  -0.938  11.423  -7.403
   32    HA   VAL   5           HA       VAL   5  -2.299  14.024  -7.310
   33    HB   VAL   5           HB       VAL   5   0.635  13.557  -6.558
   34   HG11  VAL   5          HG11      VAL   5   0.435  15.595  -7.941
   35   HG12  VAL   5          HG12      VAL   5  -0.818  16.221  -6.847
   36   HG13  VAL   5          HG13      VAL   5   0.842  15.984  -6.274
   37   HG21  VAL   5          HG21      VAL   5  -1.658  14.701  -4.905
   38   HG22  VAL   5          HG22      VAL   5  -0.778  13.186  -4.604
   39   HG23  VAL   5          HG23      VAL   5   0.053  14.726  -4.428
   40    HA   PRO   6           HA       PRO   6  -1.213  13.224 -11.543
   41    HB2  PRO   6           HB2      PRO   6  -1.151  15.813 -12.638
   42    HB3  PRO   6           HB3      PRO   6  -2.597  14.806 -12.409
   43    HG2  PRO   6           HG2      PRO   6  -1.493  16.974 -10.626
   44    HG3  PRO   6           HG3      PRO   6  -3.201  16.661 -11.061
   45    HD2  PRO   6           HD2      PRO   6  -2.154  15.897  -8.672
   46    HD3  PRO   6           HD3      PRO   6  -3.346  14.870  -9.519
   47    H    GLY   7           H        GLY   7   0.480  13.496 -13.142
   48    HA2  GLY   7           HA2      GLY   7   2.746  15.237 -12.566
   49    HA3  GLY   7           HA3      GLY   7   3.107  13.504 -12.448
   50    H    GLN   8           H        GLN   8   4.431  14.921 -14.310
   51    HA   GLN   8           HA       GLN   8   3.075  14.539 -16.925
   52    HB2  GLN   8           HB2      GLN   8   4.442  16.630 -16.366
   53    HB3  GLN   8           HB3      GLN   8   5.880  15.601 -16.403
   54    HG2  GLN   8           HG2      GLN   8   5.436  15.026 -18.759
   55    HG3  GLN   8           HG3      GLN   8   3.870  15.840 -18.686
   56   HE21  GLN   8          HE22      GLN   8   4.473  17.138 -20.518
   57   HE22  GLN   8          HE21      GLN   8   5.544  18.512 -20.311
   58    H    ILE   9           H        ILE   9   3.798  12.923 -18.347
   59    HA   ILE   9           HA       ILE   9   5.198  10.643 -17.215
   60    HB   ILE   9           HB       ILE   9   4.072  11.175 -19.990
   61   HG12  ILE   9          HG12      ILE   9   2.976   9.595 -17.604
   62   HG13  ILE   9          HG13      ILE   9   2.368  11.151 -18.153
   63   HG21  ILE   9          HG21      ILE   9   4.904   8.499 -18.770
   64   HG22  ILE   9          HG22      ILE   9   4.298   8.785 -20.414
   65   HG23  ILE   9          HG23      ILE   9   5.881   9.383 -19.951
   66   HD11  ILE   9          HD11      ILE   9   1.672  10.138 -20.290
   67   HD12  ILE   9          HD12      ILE   9   2.168   8.537 -19.681
   68   HD13  ILE   9          HD13      ILE   9   0.872   9.430 -18.879
   69    H    ARG  10           H        ARG  10   7.044  11.871 -16.627
   70    HA   ARG  10           HA       ARG  10   8.818  13.179 -18.377
   71    HB2  ARG  10           HB2      ARG  10   8.674  13.332 -15.860
   72    HB3  ARG  10           HB3      ARG  10   9.358  11.724 -15.743
   73    HG2  ARG  10           HG2      ARG  10  11.097  13.281 -15.263
   74    HG3  ARG  10           HG3      ARG  10  11.466  12.565 -16.825
   75    HD2  ARG  10           HD2      ARG  10  11.926  14.961 -16.845
   76    HD3  ARG  10           HD3      ARG  10  10.615  14.592 -17.960
   77    HE   ARG  10           HE       ARG  10  10.234  15.690 -15.183
   78   HH11  ARG  10          HH11      ARG  10   9.449  15.929 -18.653
   79   HH12  ARG  10          HH12      ARG  10   8.106  17.005 -18.368
   80   HH21  ARG  10          HH21      ARG  10   8.451  17.122 -14.879
   81   HH22  ARG  10          HH22      ARG  10   7.567  17.681 -16.286
   82    H    THR  11           H        THR  11   8.660   9.741 -17.365
   83    HA   THR  11           HA       THR  11  10.280   8.953 -19.668
   84    HB   THR  11           HB       THR  11  11.001   7.869 -16.931
   85    HG1  THR  11           HG1      THR  11  12.203  10.118 -18.169
   86   HG21  THR  11          HG21      THR  11  13.200   7.413 -18.004
   87   HG22  THR  11          HG22      THR  11  11.866   6.579 -18.804
   88   HG23  THR  11          HG23      THR  11  12.564   8.040 -19.541
   89    H    ILE  12           H        ILE  12   9.949   6.639 -20.066
   90    HA   ILE  12           HA       ILE  12   7.519   5.510 -18.765
   91    HB   ILE  12           HB       ILE  12   8.409   5.371 -21.665
   92   HG12  ILE  12          HG12      ILE  12   5.918   6.490 -20.286
   93   HG13  ILE  12          HG13      ILE  12   7.220   7.440 -21.003
   94   HG21  ILE  12          HG21      ILE  12   7.567   3.138 -20.971
   95   HG22  ILE  12          HG22      ILE  12   6.076   3.893 -20.353
   96   HG23  ILE  12          HG23      ILE  12   6.470   3.910 -22.085
   97   HD11  ILE  12          HD11      ILE  12   5.383   7.480 -22.510
   98   HD12  ILE  12          HD12      ILE  12   6.646   6.464 -23.242
   99   HD13  ILE  12          HD13      ILE  12   5.208   5.725 -22.489
  100    H    ASP  13           H        ASP  13   7.611   3.292 -18.329
  101    HA   ASP  13           HA       ASP  13  10.387   2.257 -17.896
  102    HB2  ASP  13           HB2      ASP  13   9.334   3.039 -15.880
  103    HB3  ASP  13           HB3      ASP  13   7.838   2.206 -16.255
  104    H    GLY  14           H        GLY  14   7.209   1.556 -19.196
  105    HA2  GLY  14           HA2      GLY  14   7.638  -0.533 -20.840
  106    HA3  GLY  14           HA3      GLY  14   7.482  -1.349 -19.259
  107    H    ASN  15           H        ASN  15   5.385  -1.964 -18.913
  108    HA   ASN  15           HA       ASN  15   3.068  -0.515 -19.943
  109    HB2  ASN  15           HB2      ASN  15   1.770  -2.146 -18.747
  110    HB3  ASN  15           HB3      ASN  15   3.069  -2.994 -19.569
  111   HD21  ASN  15          HD22      ASN  15   1.453  -2.728 -16.612
  112   HD22  ASN  15          HD21      ASN  15   2.673  -3.454 -15.580
  113    H    GLN  16           H        GLN  16   5.116   0.846 -18.107
  114    HA   GLN  16           HA       GLN  16   3.389   2.012 -16.059
  115    HB2  GLN  16           HB2      GLN  16   6.167   0.971 -15.406
  116    HB3  GLN  16           HB3      GLN  16   4.996   1.653 -14.287
  117    HG2  GLN  16           HG2      GLN  16   3.551  -0.388 -14.679
  118    HG3  GLN  16           HG3      GLN  16   4.859  -1.055 -15.668
  119   HE21  GLN  16          HE22      GLN  16   7.207  -0.668 -14.363
  120   HE22  GLN  16          HE21      GLN  16   7.125  -1.376 -12.765
  121    H    ALA  17           H        ALA  17   4.688   3.946 -15.145
  122    HA   ALA  17           HA       ALA  17   6.885   4.906 -16.849
  123    HB1  ALA  17           HB1      ALA  17   5.725   7.171 -17.008
  124    HB2  ALA  17           HB2      ALA  17   5.006   5.889 -17.991
  125    HB3  ALA  17           HB3      ALA  17   4.240   6.383 -16.454
  126    H    LYS  18           H        LYS  18   7.779   6.951 -15.873
  127    HA   LYS  18           HA       LYS  18   7.634   6.837 -12.885
  128    HB2  LYS  18           HB2      LYS  18  10.045   6.915 -14.721
  129    HB3  LYS  18           HB3      LYS  18  10.121   7.501 -13.051
  130    HG2  LYS  18           HG2      LYS  18   9.435   5.380 -12.149
  131    HG3  LYS  18           HG3      LYS  18   9.091   4.718 -13.755
  132    HD2  LYS  18           HD2      LYS  18  11.408   4.620 -14.339
  133    HD3  LYS  18           HD3      LYS  18  11.868   5.653 -12.982
  134    HE2  LYS  18           HE2      LYS  18  12.495   3.368 -12.490
  135    HE3  LYS  18           HE3      LYS  18  11.256   3.923 -11.366
  136    HZ1  LYS  18           HZ1      LYS  18   9.612   2.628 -12.625
  137    HZ2  LYS  18           HZ2      LYS  18  10.778   2.105 -13.680
  138    HZ3  LYS  18           HZ3      LYS  18  10.836   1.689 -12.112
  139    H    VAL  19           H        VAL  19   5.920   8.344 -13.171
  140    HA   VAL  19           HA       VAL  19   6.240  10.639 -14.842
  141    HB   VAL  19           HB       VAL  19   4.011  11.174 -14.154
  142   HG11  VAL  19          HG11      VAL  19   2.816   9.199 -14.835
  143   HG12  VAL  19          HG12      VAL  19   4.350   9.223 -15.715
  144   HG13  VAL  19          HG13      VAL  19   4.133   8.134 -14.335
  145   HG21  VAL  19          HG21      VAL  19   2.729   9.882 -12.472
  146   HG22  VAL  19          HG22      VAL  19   4.234   9.082 -11.962
  147   HG23  VAL  19          HG23      VAL  19   4.027  10.829 -11.746
  148    H    ASP  20           H        ASP  20   6.627  12.789 -14.223
  149    HA   ASP  20           HA       ASP  20   7.945  13.161 -11.586
  150    HB2  ASP  20           HB2      ASP  20   9.220  14.059 -13.390
  151    HB3  ASP  20           HB3      ASP  20   7.790  14.777 -14.140
  152    H    VAL  21           H        VAL  21   6.564  13.651  -9.972
  153    HA   VAL  21           HA       VAL  21   3.960  14.890 -10.522
  154    HB   VAL  21           HB       VAL  21   3.541  14.531  -8.121
  155   HG11  VAL  21          HG11      VAL  21   4.567  12.045  -9.560
  156   HG12  VAL  21          HG12      VAL  21   3.387  12.101  -8.234
  157   HG13  VAL  21          HG13      VAL  21   2.980  12.810  -9.801
  158   HG21  VAL  21          HG21      VAL  21   6.233  13.095  -8.013
  159   HG22  VAL  21          HG22      VAL  21   5.912  14.673  -7.265
  160   HG23  VAL  21          HG23      VAL  21   5.035  13.238  -6.718
  161    H    CYS  22           H        CYS  22   6.041  16.519 -11.309
  162    HA   CYS  22           HA       CYS  22   7.142  18.448 -11.110
  163    HB2  CYS  22           HB2      CYS  22   4.627  19.304  -9.631
  164    HB3  CYS  22           HB3      CYS  22   5.870  20.401 -10.259
  165    HG   CYS  22           HG       CYS  22   4.186  18.121 -11.953
  166    H    GLY  23           H        GLY  23   8.378  16.794  -9.572
  167    HA2  GLY  23           HA2      GLY  23   9.723  18.453  -7.769
  168    HA3  GLY  23           HA3      GLY  23   8.611  17.489  -6.781
  169    H    ILE  24           H        ILE  24   8.672  15.040  -8.278
  170    HA   ILE  24           HA       ILE  24  11.391  14.197  -8.646
  171    HB   ILE  24           HB       ILE  24  11.161  14.170  -6.143
  172   HG12  ILE  24          HG12      ILE  24  11.948  11.926  -5.676
  173   HG13  ILE  24          HG13      ILE  24  11.408  11.348  -7.245
  174   HG21  ILE  24          HG21      ILE  24   9.054  12.022  -6.561
  175   HG22  ILE  24          HG22      ILE  24   9.713  12.584  -5.011
  176   HG23  ILE  24          HG23      ILE  24   8.731  13.676  -5.994
  177   HD11  ILE  24          HD11      ILE  24  13.528  13.503  -6.812
  178   HD12  ILE  24          HD12      ILE  24  13.859  11.789  -7.130
  179   HD13  ILE  24          HD13      ILE  24  13.078  12.774  -8.374
  180    H    GLN  25           H        GLN  25  11.389  11.954  -9.514
  181    HA   GLN  25           HA       GLN  25   8.939  11.391 -11.024
  182    HB2  GLN  25           HB2      GLN  25  11.678  10.069 -10.996
  183    HB3  GLN  25           HB3      GLN  25  10.298   9.506 -11.952
  184    HG2  GLN  25           HG2      GLN  25  10.142  11.754 -13.036
  185    HG3  GLN  25           HG3      GLN  25  11.589  12.262 -12.164
  186   HE21  GLN  25          HE22      GLN  25  10.350   9.903 -14.569
  187   HE22  GLN  25          HE21      GLN  25  11.845   9.806 -15.482
  188    H    ARG  26           H        ARG  26   7.519   9.794 -10.583
  189    HA   ARG  26           HA       ARG  26   8.037   7.915  -8.310
  190    HB2  ARG  26           HB2      ARG  26   5.469   9.418  -9.030
  191    HB3  ARG  26           HB3      ARG  26   5.592   8.149  -7.821
  192    HG2  ARG  26           HG2      ARG  26   6.984  10.854  -7.670
  193    HG3  ARG  26           HG3      ARG  26   5.505  10.384  -6.824
  194    HD2  ARG  26           HD2      ARG  26   6.843   8.509  -5.730
  195    HD3  ARG  26           HD3      ARG  26   8.299   9.259  -6.420
  196    HE   ARG  26           HE       ARG  26   6.697  11.163  -4.962
  197   HH11  ARG  26          HH11      ARG  26   9.044   8.542  -4.477
  198   HH12  ARG  26          HH12      ARG  26   9.583   9.115  -2.943
  199   HH21  ARG  26          HH21      ARG  26   7.416  11.931  -2.914
  200   HH22  ARG  26          HH22      ARG  26   8.636  11.088  -2.042
  201    H    ASP  27           H        ASP  27   7.566   5.796  -8.820
  202    HA   ASP  27           HA       ASP  27   6.976   5.148 -11.586
  203    HB2  ASP  27           HB2      ASP  27   8.518   3.828 -10.144
  204    HB3  ASP  27           HB3      ASP  27   7.137   3.315  -9.168
  205    H    VAL  28           H        VAL  28   5.010   4.676 -12.468
  206    HA   VAL  28           HA       VAL  28   2.629   4.237 -10.764
  207    HB   VAL  28           HB       VAL  28   3.097   6.443 -12.822
  208   HG11  VAL  28          HG11      VAL  28   0.706   7.057 -12.573
  209   HG12  VAL  28          HG12      VAL  28   0.911   5.505 -13.362
  210   HG13  VAL  28          HG13      VAL  28   0.426   5.561 -11.652
  211   HG21  VAL  28          HG21      VAL  28   3.705   7.050 -10.511
  212   HG22  VAL  28          HG22      VAL  28   2.248   7.908 -10.994
  213   HG23  VAL  28          HG23      VAL  28   2.121   6.491  -9.934
  214    H    ASP  29           H        ASP  29   1.285   2.726 -11.661
  215    HA   ASP  29           HA       ASP  29   2.063   1.230 -14.020
  216    HB2  ASP  29           HB2      ASP  29   0.782   0.096 -12.320
  217    HB3  ASP  29           HB3      ASP  29  -0.485   1.332 -12.368
  218    H    LEU  30           H        LEU  30   1.364   1.426 -16.133
  219    HA   LEU  30           HA       LEU  30  -0.616   3.579 -16.746
  220    HB2  LEU  30           HB2      LEU  30   1.726   2.634 -18.445
  221    HB3  LEU  30           HB3      LEU  30   0.426   3.664 -19.008
  222    HG   LEU  30           HG       LEU  30   2.616   4.372 -17.059
  223   HD11  LEU  30          HD11      LEU  30   2.931   6.216 -18.738
  224   HD12  LEU  30          HD12      LEU  30   3.095   4.600 -19.457
  225   HD13  LEU  30          HD13      LEU  30   1.606   5.552 -19.690
  226   HD21  LEU  30          HD21      LEU  30   0.672   5.346 -16.027
  227   HD22  LEU  30          HD22      LEU  30   1.546   6.629 -16.853
  228   HD23  LEU  30          HD23      LEU  30   0.073   5.961 -17.593
  229    H    THR  31           H        THR  31  -0.394   0.219 -16.492
  230    HA   THR  31           HA       THR  31  -1.348  -0.692 -18.952
  231    HB   THR  31           HB       THR  31  -2.178  -1.761 -16.225
  232    HG1  THR  31           HG1      THR  31  -0.072  -1.562 -16.067
  233   HG21  THR  31          HG21      THR  31  -1.658  -3.150 -18.896
  234   HG22  THR  31          HG22      THR  31  -2.016  -3.967 -17.356
  235   HG23  THR  31          HG23      THR  31  -3.240  -2.939 -18.111
  236    H    LEU  32           H        LEU  32  -3.141   0.979 -16.365
  237    HA   LEU  32           HA       LEU  32  -5.761   0.417 -17.369
  238    HB2  LEU  32           HB2      LEU  32  -4.792   2.768 -15.696
  239    HB3  LEU  32           HB3      LEU  32  -6.474   2.317 -15.952
  240    HG   LEU  32           HG       LEU  32  -4.377   0.726 -14.433
  241   HD11  LEU  32          HD11      LEU  32  -7.002   1.987 -13.531
  242   HD12  LEU  32          HD12      LEU  32  -5.824   1.134 -12.506
  243   HD13  LEU  32          HD13      LEU  32  -5.391   2.674 -13.266
  244   HD21  LEU  32          HD21      LEU  32  -5.772  -0.920 -15.572
  245   HD22  LEU  32          HD22      LEU  32  -6.228  -0.860 -13.872
  246   HD23  LEU  32          HD23      LEU  32  -7.252  -0.059 -15.084
  247    H    VAL  33           H        VAL  33  -3.359   2.530 -18.716
  248    HA   VAL  33           HA       VAL  33  -5.441   3.851 -20.397
  249    HB   VAL  33           HB       VAL  33  -4.153   5.933 -20.277
  250   HG11  VAL  33          HG11      VAL  33  -6.062   5.571 -18.732
  251   HG12  VAL  33          HG12      VAL  33  -4.940   4.974 -17.489
  252   HG13  VAL  33          HG13      VAL  33  -4.833   6.649 -18.052
  253   HG21  VAL  33          HG21      VAL  33  -2.426   6.312 -18.579
  254   HG22  VAL  33          HG22      VAL  33  -2.493   4.609 -18.083
  255   HG23  VAL  33          HG23      VAL  33  -1.907   5.050 -19.697
  256    H    GLY  34           H        GLY  34  -2.559   2.041 -20.321
  257    HA2  GLY  34           HA2      GLY  34  -1.298   1.158 -22.024
  258    HA3  GLY  34           HA3      GLY  34  -2.099   2.195 -23.215
  259    H    SER  35           H        SER  35   0.879   1.692 -22.355
  260    HA   SER  35           HA       SER  35   1.810   4.313 -21.576
  261    HB2  SER  35           HB2      SER  35   3.348   2.026 -22.858
  262    HB3  SER  35           HB3      SER  35   4.014   3.389 -21.938
  263    HG   SER  35           HG       SER  35   3.855   1.588 -20.641
  264    H    CYS  36           H        CYS  36   0.457   3.294 -24.477
  265    HA   CYS  36           HA       CYS  36   2.008   5.283 -26.055
  266    HB2  CYS  36           HB2      CYS  36   0.384   2.907 -27.048
  267    HB3  CYS  36           HB3      CYS  36   1.198   4.117 -28.054
  268    HG   CYS  36           HG       CYS  36   2.545   2.096 -25.801
  269    H    ASP  37           H        ASP  37   0.852   6.708 -27.283
  270    HA   ASP  37           HA       ASP  37  -1.604   7.757 -26.208
  271    HB2  ASP  37           HB2      ASP  37   0.323   9.106 -27.089
  272    HB3  ASP  37           HB3      ASP  37  -0.008   8.470 -28.706
  273    H    GLU  38           H        GLU  38  -3.358   8.396 -27.849
  274    HA   GLU  38           HA       GLU  38  -4.706   6.114 -28.702
  275    HB2  GLU  38           HB2      GLU  38  -5.155   8.919 -29.788
  276    HB3  GLU  38           HB3      GLU  38  -6.340   7.626 -29.635
  277    HG2  GLU  38           HG2      GLU  38  -5.073   9.278 -27.426
  278    HG3  GLU  38           HG3      GLU  38  -6.757   9.248 -27.917
  279    H    ASN  39           H        ASN  39  -2.167   7.703 -30.415
  280    HA   ASN  39           HA       ASN  39  -2.887   6.318 -32.950
  281    HB2  ASN  39           HB2      ASN  39  -1.922   8.031 -34.190
  282    HB3  ASN  39           HB3      ASN  39  -2.905   8.866 -32.995
  283   HD21  ASN  39          HD22      ASN  39  -0.837  10.164 -34.408
  284   HD22  ASN  39          HD21      ASN  39   0.435  10.575 -33.283
  285    H    GLY  40           H        GLY  40  -1.029   5.715 -30.373
  286    HA2  GLY  40           HA2      GLY  40   0.433   3.949 -30.295
  287    HA3  GLY  40           HA3      GLY  40   0.771   4.104 -32.017
  288    H    GLN  41           H        GLN  41   1.241   7.195 -30.748
  289    HA   GLN  41           HA       GLN  41   4.158   7.000 -30.687
  290    HB2  GLN  41           HB2      GLN  41   2.176   9.141 -29.785
  291    HB3  GLN  41           HB3      GLN  41   3.925   9.348 -29.738
  292    HG2  GLN  41           HG2      GLN  41   4.100   9.153 -32.156
  293    HG3  GLN  41           HG3      GLN  41   2.380   8.784 -32.303
  294   HE21  GLN  41          HE22      GLN  41   0.864  10.488 -31.238
  295   HE22  GLN  41          HE21      GLN  41   1.304  12.177 -31.468
  296    HA   PRO  42           HA       PRO  42   4.310   5.983 -26.243
  297    HB2  PRO  42           HB2      PRO  42   6.574   7.339 -25.414
  298    HB3  PRO  42           HB3      PRO  42   6.607   5.792 -26.312
  299    HG2  PRO  42           HG2      PRO  42   6.952   8.599 -27.394
  300    HG3  PRO  42           HG3      PRO  42   7.911   7.137 -27.773
  301    HD2  PRO  42           HD2      PRO  42   5.908   8.052 -29.393
  302    HD3  PRO  42           HD3      PRO  42   6.232   6.304 -29.201
  303    H    ARG  43           H        ARG  43   3.393   7.003 -24.381
  304    HA   ARG  43           HA       ARG  43   2.241   9.605 -24.756
  305    HB2  ARG  43           HB2      ARG  43   2.398   7.825 -22.281
  306    HB3  ARG  43           HB3      ARG  43   1.483   9.332 -22.385
  307    HG2  ARG  43           HG2      ARG  43   0.206   8.348 -24.341
  308    HG3  ARG  43           HG3      ARG  43   0.909   6.790 -23.881
  309    HD2  ARG  43           HD2      ARG  43   0.032   7.092 -21.564
  310    HD3  ARG  43           HD3      ARG  43  -0.716   8.618 -22.044
  311    HE   ARG  43           HE       ARG  43  -1.596   5.901 -22.576
  312   HH11  ARG  43          HH11      ARG  43  -1.883   9.265 -23.790
  313   HH12  ARG  43          HH12      ARG  43  -3.378   8.944 -24.616
  314   HH21  ARG  43          HH21      ARG  43  -3.643   5.588 -23.509
  315   HH22  ARG  43          HH22      ARG  43  -4.367   6.835 -24.515
  316    H    VAL  44           H        VAL  44   5.374   9.416 -24.499
  317    HA   VAL  44           HA       VAL  44   6.081  10.573 -21.996
  318    HB   VAL  44           HB       VAL  44   7.624   9.345 -23.433
  319   HG11  VAL  44          HG11      VAL  44   8.683  10.278 -25.392
  320   HG12  VAL  44          HG12      VAL  44   6.935  10.232 -25.666
  321   HG13  VAL  44          HG13      VAL  44   7.728  11.768 -25.269
  322   HG21  VAL  44          HG21      VAL  44   8.580  12.178 -22.880
  323   HG22  VAL  44          HG22      VAL  44   8.503  10.847 -21.705
  324   HG23  VAL  44          HG23      VAL  44   9.596  10.737 -23.092
  325    H    GLY  45           H        GLY  45   6.088  12.638 -21.275
  326    HA2  GLY  45           HA2      GLY  45   5.971  14.949 -21.337
  327    HA3  GLY  45           HA3      GLY  45   5.691  14.916 -23.078
  328    H    GLN  46           H        GLN  46   3.353  12.792 -22.280
  329    HA   GLN  46           HA       GLN  46   1.235  14.798 -22.024
  330    HB2  GLN  46           HB2      GLN  46   1.113  11.760 -21.764
  331    HB3  GLN  46           HB3      GLN  46  -0.267  12.854 -21.832
  332    HG2  GLN  46           HG2      GLN  46   0.489  13.621 -24.088
  333    HG3  GLN  46           HG3      GLN  46   1.746  12.385 -24.069
  334   HE21  GLN  46          HE22      GLN  46  -0.175  12.473 -26.102
  335   HE22  GLN  46          HE21      GLN  46  -1.287  11.121 -25.948
  336    H    TRP  47           H        TRP  47  -0.408  14.397 -20.117
  337    HA   TRP  47           HA       TRP  47   1.107  14.005 -17.574
  338    HB2  TRP  47           HB2      TRP  47  -1.087  16.013 -18.186
  339    HB3  TRP  47           HB3      TRP  47  -0.408  15.688 -16.599
  340    HD1  TRP  47           HD1      TRP  47   0.855  16.930 -20.042
  341    HE1  TRP  47           HE1      TRP  47   2.560  18.806 -19.689
  342    HE3  TRP  47           HE3      TRP  47   1.151  16.739 -14.947
  343    HZ2  TRP  47           HZ2      TRP  47   3.868  20.092 -17.435
  344    HZ3  TRP  47           HZ3      TRP  47   2.595  18.323 -13.715
  345    HH2  TRP  47           HH2      TRP  47   3.959  20.005 -14.944
  346    H    VAL  48           H        VAL  48  -0.208  13.196 -15.796
  347    HA   VAL  48           HA       VAL  48  -2.703  11.836 -16.578
  348    HB   VAL  48           HB       VAL  48  -0.790  10.489 -17.415
  349   HG11  VAL  48          HG11      VAL  48   0.927  11.022 -15.715
  350   HG12  VAL  48          HG12      VAL  48   0.022  10.073 -14.516
  351   HG13  VAL  48          HG13      VAL  48   0.707   9.283 -15.950
  352   HG21  VAL  48          HG21      VAL  48  -1.449   8.340 -16.569
  353   HG22  VAL  48          HG22      VAL  48  -2.279   9.090 -15.189
  354   HG23  VAL  48          HG23      VAL  48  -2.865   9.356 -16.847
  355    H    LEU  49           H        LEU  49  -4.016  11.480 -14.878
  356    HA   LEU  49           HA       LEU  49  -3.390  12.579 -12.216
  357    HB2  LEU  49           HB2      LEU  49  -5.704  10.959 -13.377
  358    HB3  LEU  49           HB3      LEU  49  -5.627  11.436 -11.681
  359    HG   LEU  49           HG       LEU  49  -5.755  13.357 -14.023
  360   HD11  LEU  49          HD11      LEU  49  -7.931  12.480 -12.082
  361   HD12  LEU  49          HD12      LEU  49  -8.092  13.717 -13.348
  362   HD13  LEU  49          HD13      LEU  49  -7.813  12.028 -13.794
  363   HD21  LEU  49          HD21      LEU  49  -6.065  13.850 -11.020
  364   HD22  LEU  49          HD22      LEU  49  -4.695  14.375 -12.015
  365   HD23  LEU  49          HD23      LEU  49  -6.294  15.060 -12.304
  366    H    VAL  50           H        VAL  50  -2.955  11.221 -10.362
  367    HA   VAL  50           HA       VAL  50  -2.529   8.336 -10.991
  368    HB   VAL  50           HB       VAL  50  -1.013  10.049  -8.995
  369   HG11  VAL  50          HG11      VAL  50  -1.088   7.707  -8.318
  370   HG12  VAL  50          HG12      VAL  50  -0.575   7.188  -9.945
  371   HG13  VAL  50          HG13      VAL  50   0.527   8.110  -8.897
  372   HG21  VAL  50          HG21      VAL  50  -0.133   9.050 -11.744
  373   HG22  VAL  50          HG22      VAL  50  -0.364  10.742 -11.274
  374   HG23  VAL  50          HG23      VAL  50   0.928   9.815 -10.531
  375    H    HIS  51           H        HIS  51  -3.461   6.907  -9.564
  376    HA   HIS  51           HA       HIS  51  -4.659   7.898  -7.040
  377    HB2  HIS  51           HB2      HIS  51  -6.496   7.864  -8.664
  378    HB3  HIS  51           HB3      HIS  51  -6.058   6.230  -9.174
  379    HD1  HIS  51           HD1      HIS  51  -7.091   7.874  -5.762
  380    HD2  HIS  51           HD2      HIS  51  -7.550   4.411  -8.120
  381    HE1  HIS  51           HE1      HIS  51  -8.642   6.328  -4.471
  382    H    VAL  52           H        VAL  52  -3.703   6.731  -5.532
  383    HA   VAL  52           HA       VAL  52  -2.364   5.339  -4.534
  384    HB   VAL  52           HB       VAL  52  -3.282   3.135  -4.078
  385   HG11  VAL  52          HG11      VAL  52  -4.143   5.166  -2.957
  386   HG12  VAL  52          HG12      VAL  52  -5.424   5.298  -4.185
  387   HG13  VAL  52          HG13      VAL  52  -5.368   3.897  -3.100
  388   HG21  VAL  52          HG21      VAL  52  -5.367   2.347  -5.055
  389   HG22  VAL  52          HG22      VAL  52  -5.421   3.724  -6.169
  390   HG23  VAL  52          HG23      VAL  52  -4.146   2.499  -6.323
  391    H    GLY  53           H        GLY  53  -1.315   5.823  -7.133
  392    HA2  GLY  53           HA2      GLY  53   0.800   5.146  -7.920
  393    HA3  GLY  53           HA3      GLY  53   0.542   3.517  -7.302
  394    H    PHE  54           H        PHE  54  -2.197   4.629  -9.111
  395    HA   PHE  54           HA       PHE  54  -1.198   3.322 -11.610
  396    HB2  PHE  54           HB2      PHE  54  -3.979   3.216 -10.362
  397    HB3  PHE  54           HB3      PHE  54  -3.507   2.524 -11.902
  398    HD1  PHE  54           HD2      PHE  54  -2.817   2.278  -8.215
  399    HD2  PHE  54           HD1      PHE  54  -2.788   0.278 -12.032
  400    HE1  PHE  54           HE2      PHE  54  -2.255   0.144  -7.090
  401    HE2  PHE  54           HE1      PHE  54  -2.227  -1.858 -10.909
  402    HZ   PHE  54           HZ       PHE  54  -1.952  -1.932  -8.434
  403    H    ALA  55           H        ALA  55  -1.826   4.318 -13.537
  404    HA   ALA  55           HA       ALA  55  -2.523   7.071 -13.594
  405    HB1  ALA  55           HB1      ALA  55  -3.002   6.562 -16.024
  406    HB2  ALA  55           HB2      ALA  55  -1.405   6.031 -15.460
  407    HB3  ALA  55           HB3      ALA  55  -2.717   4.847 -15.673
  408    H    MET  56           H        MET  56  -4.436   7.917 -12.944
  409    HA   MET  56           HA       MET  56  -6.858   6.265 -12.875
  410    HB2  MET  56           HB2      MET  56  -6.179   7.949 -11.095
  411    HB3  MET  56           HB3      MET  56  -6.574   9.225 -12.243
  412    HG2  MET  56           HG2      MET  56  -8.433   8.888 -10.758
  413    HG3  MET  56           HG3      MET  56  -8.904   8.378 -12.377
  414    HE1  MET  56           HE1      MET  56 -10.511   7.733  -9.672
  415    HE2  MET  56           HE2      MET  56 -11.051   7.233 -11.293
  416    HE3  MET  56           HE3      MET  56 -10.978   6.045  -9.972
  417    H    SER  57           H        SER  57  -5.648   9.118 -14.735
  418    HA   SER  57           HA       SER  57  -6.953   8.272 -17.133
  419    HB2  SER  57           HB2      SER  57  -8.004  10.776 -15.719
  420    HB3  SER  57           HB3      SER  57  -8.254  10.439 -17.437
  421    HG   SER  57           HG       SER  57  -8.931   8.424 -15.644
  422    H    VAL  58           H        VAL  58  -6.012   9.409 -18.911
  423    HA   VAL  58           HA       VAL  58  -3.627  11.046 -18.377
  424    HB   VAL  58           HB       VAL  58  -5.005  10.121 -20.933
  425   HG11  VAL  58          HG11      VAL  58  -2.280  11.466 -20.650
  426   HG12  VAL  58          HG12      VAL  58  -2.984  10.804 -22.136
  427   HG13  VAL  58          HG13      VAL  58  -3.725  12.208 -21.376
  428   HG21  VAL  58          HG21      VAL  58  -3.960   8.280 -19.639
  429   HG22  VAL  58          HG22      VAL  58  -3.068   8.594 -21.120
  430   HG23  VAL  58          HG23      VAL  58  -2.433   9.183 -19.570
  431    H    ILE  59           H        ILE  59  -3.518  13.295 -18.876
  432    HA   ILE  59           HA       ILE  59  -6.039  14.730 -19.438
  433    HB   ILE  59           HB       ILE  59  -5.722  16.202 -17.536
  434   HG12  ILE  59          HG12      ILE  59  -3.466  14.356 -16.648
  435   HG13  ILE  59          HG13      ILE  59  -3.297  16.020 -17.222
  436   HG21  ILE  59          HG21      ILE  59  -5.874  13.351 -16.504
  437   HG22  ILE  59          HG22      ILE  59  -6.634  14.807 -15.827
  438   HG23  ILE  59          HG23      ILE  59  -7.187  14.176 -17.374
  439   HD11  ILE  59          HD11      ILE  59  -3.135  16.006 -14.824
  440   HD12  ILE  59          HD12      ILE  59  -4.667  16.797 -15.281
  441   HD13  ILE  59          HD13      ILE  59  -4.654  15.139 -14.654
  442    H    ASN  60           H        ASN  60  -5.619  17.057 -19.891
  443    HA   ASN  60           HA       ASN  60  -3.194  17.405 -21.492
  444    HB2  ASN  60           HB2      ASN  60  -5.482  18.440 -22.034
  445    HB3  ASN  60           HB3      ASN  60  -5.194  19.529 -20.662
  446   HD21  ASN  60          HD22      ASN  60  -5.273  21.383 -22.121
  447   HD22  ASN  60          HD21      ASN  60  -3.896  21.738 -23.126
  448    H    GLU  61           H        GLU  61  -1.824  19.324 -21.165
  449    HA   GLU  61           HA       GLU  61  -0.486  19.438 -18.698
  450    HB2  GLU  61           HB2      GLU  61  -0.679  21.644 -20.786
  451    HB3  GLU  61           HB3      GLU  61   0.663  21.327 -19.670
  452    HG2  GLU  61           HG2      GLU  61   0.582  18.954 -21.046
  453    HG3  GLU  61           HG3      GLU  61  -0.089  20.013 -22.263
  454    H    ALA  62           H        ALA  62  -3.046  21.575 -20.033
  455    HA   ALA  62           HA       ALA  62  -2.935  23.509 -17.924
  456    HB1  ALA  62           HB1      ALA  62  -5.234  22.819 -19.816
  457    HB2  ALA  62           HB2      ALA  62  -5.074  24.300 -18.850
  458    HB3  ALA  62           HB3      ALA  62  -3.918  23.971 -20.155
  459    H    GLU  63           H        GLU  63  -4.829  20.518 -18.370
  460    HA   GLU  63           HA       GLU  63  -6.565  20.900 -16.097
  461    HB2  GLU  63           HB2      GLU  63  -5.659  18.398 -17.572
  462    HB3  GLU  63           HB3      GLU  63  -6.924  18.429 -16.337
  463    HG2  GLU  63           HG2      GLU  63  -8.261  19.967 -17.743
  464    HG3  GLU  63           HG3      GLU  63  -7.010  19.932 -18.990
  465    H    ALA  64           H        ALA  64  -3.376  19.300 -16.622
  466    HA   ALA  64           HA       ALA  64  -3.141  18.255 -13.984
  467    HB1  ALA  64           HB1      ALA  64  -0.787  18.027 -14.485
  468    HB2  ALA  64           HB2      ALA  64  -1.719  17.586 -15.934
  469    HB3  ALA  64           HB3      ALA  64  -0.899  19.156 -15.850
  470    H    ARG  65           H        ARG  65  -1.928  21.360 -15.390
  471    HA   ARG  65           HA       ARG  65  -0.810  22.309 -12.943
  472    HB2  ARG  65           HB2      ARG  65  -1.840  23.766 -15.413
  473    HB3  ARG  65           HB3      ARG  65  -1.070  24.593 -14.050
  474    HG2  ARG  65           HG2      ARG  65   0.961  23.213 -14.313
  475    HG3  ARG  65           HG3      ARG  65   0.249  22.379 -15.693
  476    HD2  ARG  65           HD2      ARG  65   0.816  25.374 -15.548
  477    HD3  ARG  65           HD3      ARG  65   1.854  24.179 -16.310
  478    HE   ARG  65           HE       ARG  65   0.261  23.762 -18.000
  479   HH11  ARG  65          HH11      ARG  65  -0.683  26.521 -15.964
  480   HH12  ARG  65          HH12      ARG  65  -1.710  27.226 -17.154
  481   HH21  ARG  65          HH21      ARG  65  -1.040  24.759 -19.615
  482   HH22  ARG  65          HH22      ARG  65  -1.919  26.196 -19.265
  483    H    ASP  66           H        ASP  66  -4.131  22.741 -14.300
  484    HA   ASP  66           HA       ASP  66  -5.076  24.415 -12.205
  485    HB2  ASP  66           HB2      ASP  66  -6.308  24.115 -14.286
  486    HB3  ASP  66           HB3      ASP  66  -6.546  22.398 -13.943
  487    H    THR  67           H        THR  67  -5.029  20.821 -12.496
  488    HA   THR  67           HA       THR  67  -6.387  20.351 -10.030
  489    HB   THR  67           HB       THR  67  -4.412  18.558 -11.505
  490    HG1  THR  67           HG1      THR  67  -6.015  19.118 -12.894
  491   HG21  THR  67          HG21      THR  67  -4.942  17.686  -9.261
  492   HG22  THR  67          HG22      THR  67  -6.678  17.908  -9.558
  493   HG23  THR  67          HG23      THR  67  -5.752  16.711 -10.491
  494    H    LEU  68           H        LEU  68  -2.869  20.687 -10.807
  495    HA   LEU  68           HA       LEU  68  -1.973  20.083  -8.148
  496    HB2  LEU  68           HB2      LEU  68  -0.746  21.689 -10.426
  497    HB3  LEU  68           HB3      LEU  68   0.091  21.417  -8.902
  498    HG   LEU  68           HG       LEU  68  -0.879  19.157 -10.694
  499   HD11  LEU  68          HD11      LEU  68   0.806  20.497 -11.868
  500   HD12  LEU  68          HD12      LEU  68   1.900  20.378 -10.471
  501   HD13  LEU  68          HD13      LEU  68   1.465  18.925 -11.400
  502   HD21  LEU  68          HD21      LEU  68   1.043  19.177  -8.326
  503   HD22  LEU  68          HD22      LEU  68  -0.569  18.429  -8.369
  504   HD23  LEU  68          HD23      LEU  68   0.722  17.785  -9.381
  505    H    ASP  69           H        ASP  69  -2.910  23.188  -9.729
  506    HA   ASP  69           HA       ASP  69  -2.235  24.842  -7.487
  507    HB2  ASP  69           HB2      ASP  69  -2.624  25.790  -9.688
  508    HB3  ASP  69           HB3      ASP  69  -4.287  25.199  -9.701
  509    H    ALA  70           H        ALA  70  -5.302  23.193  -8.417
  510    HA   ALA  70           HA       ALA  70  -6.845  24.110  -6.221
  511    HB1  ALA  70           HB1      ALA  70  -7.821  23.032  -8.215
  512    HB2  ALA  70           HB2      ALA  70  -7.055  21.489  -7.773
  513    HB3  ALA  70           HB3      ALA  70  -8.307  22.190  -6.731
  514    H    LEU  71           H        LEU  71  -4.819  21.137  -6.578
  515    HA   LEU  71           HA       LEU  71  -5.403  20.087  -4.015
  516    HB2  LEU  71           HB2      LEU  71  -3.079  19.749  -5.931
  517    HB3  LEU  71           HB3      LEU  71  -3.035  18.989  -4.347
  518    HG   LEU  71           HG       LEU  71  -5.323  18.535  -6.306
  519   HD11  LEU  71          HD11      LEU  71  -2.857  16.821  -5.790
  520   HD12  LEU  71          HD12      LEU  71  -4.234  16.389  -6.831
  521   HD13  LEU  71          HD13      LEU  71  -3.188  17.750  -7.272
  522   HD21  LEU  71          HD21      LEU  71  -5.728  16.524  -4.887
  523   HD22  LEU  71          HD22      LEU  71  -4.435  17.047  -3.787
  524   HD23  LEU  71          HD23      LEU  71  -5.915  18.012  -3.961
  525    H    GLN  72           H        GLN  72  -2.726  22.307  -5.014
  526    HA   GLN  72           HA       GLN  72  -1.532  22.425  -2.422
  527    HB2  GLN  72           HB2      GLN  72  -1.593  24.370  -4.758
  528    HB3  GLN  72           HB3      GLN  72  -0.660  24.675  -3.288
  529    HG2  GLN  72           HG2      GLN  72   0.716  22.735  -3.614
  530    HG3  GLN  72           HG3      GLN  72  -0.312  22.110  -4.892
  531   HE21  GLN  72          HE22      GLN  72  -0.423  23.255  -6.927
  532   HE22  GLN  72          HE21      GLN  72   0.937  24.234  -7.475
  533    H    ASN  73           H        ASN  73  -4.216  24.325  -3.867
  534    HA   ASN  73           HA       ASN  73  -4.548  26.086  -1.604
  535    HB2  ASN  73           HB2      ASN  73  -6.352  25.270  -3.906
  536    HB3  ASN  73           HB3      ASN  73  -6.998  26.165  -2.539
  537   HD21  ASN  73          HD22      ASN  73  -4.573  26.338  -5.173
  538   HD22  ASN  73          HD21      ASN  73  -4.439  28.081  -5.140
  539    H    MET  74           H        MET  74  -5.860  22.866  -2.390
  540    HA   MET  74           HA       MET  74  -7.352  22.593   0.101
  541    HB2  MET  74           HB2      MET  74  -6.575  20.623  -2.093
  542    HB3  MET  74           HB3      MET  74  -7.619  20.235  -0.723
  543    HG2  MET  74           HG2      MET  74  -9.305  21.789  -1.426
  544    HG3  MET  74           HG3      MET  74  -8.266  22.458  -2.677
  545    HE1  MET  74           HE1      MET  74 -10.226  18.251  -2.890
  546    HE2  MET  74           HE2      MET  74  -8.854  18.563  -1.810
  547    HE3  MET  74           HE3      MET  74 -10.410  19.382  -1.533
  548    H    PHE  75           H        PHE  75  -4.514  23.308   0.392
  549    HA   PHE  75           HA       PHE  75  -2.615  22.792   1.426
  550    HB2  PHE  75           HB2      PHE  75  -2.967  21.855   3.740
  551    HB3  PHE  75           HB3      PHE  75  -3.867  23.278   3.289
  552    HD1  PHE  75           HD1      PHE  75  -4.220  19.558   3.670
  553    HD2  PHE  75           HD2      PHE  75  -6.226  23.371   3.495
  554    HE1  PHE  75           HE1      PHE  75  -6.353  18.471   4.344
  555    HE2  PHE  75           HE2      PHE  75  -8.348  22.283   4.175
  556    HZ   PHE  75           HZ       PHE  75  -8.416  19.832   4.599
  557    H    ASP  76           H        ASP  76  -3.148  20.958  -0.665
  558    HA   ASP  76           HA       ASP  76  -2.598  19.045  -1.593
  559    HB2  ASP  76           HB2      ASP  76  -0.406  20.099  -1.250
  560    HB3  ASP  76           HB3      ASP  76  -0.188  19.160   0.235
  561    H    VAL  77           H        VAL  77  -4.347  18.865   0.712
  562    HA   VAL  77           HA       VAL  77  -5.350  17.483   2.089
  563    HB   VAL  77           HB       VAL  77  -4.448  15.100   0.461
  564   HG11  VAL  77          HG11      VAL  77  -7.158  15.933   1.615
  565   HG12  VAL  77          HG12      VAL  77  -6.805  14.414   0.761
  566   HG13  VAL  77          HG13      VAL  77  -6.071  14.729   2.330
  567   HG21  VAL  77          HG21      VAL  77  -6.267  15.625  -1.184
  568   HG22  VAL  77          HG22      VAL  77  -6.422  17.242  -0.461
  569   HG23  VAL  77          HG23      VAL  77  -4.921  16.750  -1.280
  570    H    GLU  78           H        GLU  78  -2.488  18.121   2.689
  571    HA   GLU  78           HA       GLU  78  -2.105  16.148   4.869
  572    HB2  GLU  78           HB2      GLU  78   0.032  16.933   2.842
  573    HB3  GLU  78           HB3      GLU  78   0.370  16.234   4.432
  574    HG2  GLU  78           HG2      GLU  78  -1.071  14.260   3.818
  575    HG3  GLU  78           HG3      GLU  78  -1.174  14.902   2.177
  576    HA   PRO  79           HA       PRO  79  -2.222  20.715   5.655
  577    HB2  PRO  79           HB2      PRO  79  -3.609  20.715   8.047
  578    HB3  PRO  79           HB3      PRO  79  -4.370  20.674   6.434
  579    HG2  PRO  79           HG2      PRO  79  -3.795  18.361   8.294
  580    HG3  PRO  79           HG3      PRO  79  -5.288  18.689   7.359
  581    HD2  PRO  79           HD2      PRO  79  -3.387  16.920   6.520
  582    HD3  PRO  79           HD3      PRO  79  -4.304  17.915   5.359
  583    H    ASP  80           H        ASP  80  -1.054  18.114   7.694
  584    HA   ASP  80           HA       ASP  80   0.302  19.487   9.726
  585    HB2  ASP  80           HB2      ASP  80   0.016  17.051   9.630
  586    HB3  ASP  80           HB3      ASP  80   1.082  16.962   8.225
  587    H    VAL  81           H        VAL  81   1.087  19.298   6.299
  588    HA   VAL  81           HA       VAL  81   3.418  21.092   6.818
  589    HB   VAL  81           HB       VAL  81   4.448  20.223   4.738
  590   HG11  VAL  81          HG11      VAL  81   5.413  18.225   5.748
  591   HG12  VAL  81          HG12      VAL  81   5.191  19.479   6.978
  592   HG13  VAL  81          HG13      VAL  81   4.064  18.107   6.897
  593   HG21  VAL  81          HG21      VAL  81   2.491  19.147   3.648
  594   HG22  VAL  81          HG22      VAL  81   3.833  18.022   3.848
  595   HG23  VAL  81          HG23      VAL  81   2.439  17.926   4.938
  596    H    GLY  82           H        GLY  82   0.591  20.309   4.762
  597    HA2  GLY  82           HA2      GLY  82   0.864  22.292   2.845
  598    HA3  GLY  82           HA3      GLY  82  -0.667  21.618   3.426
  599    H    ALA  83           H        ALA  83  -0.425  22.640   6.207
  600    HA   ALA  83           HA       ALA  83  -1.560  25.218   5.850
  601    HB1  ALA  83           HB1      ALA  83  -0.321  23.986   8.348
  602    HB2  ALA  83           HB2      ALA  83  -1.419  25.381   8.299
  603    HB3  ALA  83           HB3      ALA  83  -2.007  23.782   7.807
  604    H    LEU  84           H        LEU  84   1.810  24.224   6.167
  605    HA   LEU  84           HA       LEU  84   2.708  27.013   6.643
  606    HB2  LEU  84           HB2      LEU  84   3.706  25.217   7.995
  607    HB3  LEU  84           HB3      LEU  84   4.171  24.341   6.536
  608    HG   LEU  84           HG       LEU  84   5.736  26.148   5.908
  609   HD11  LEU  84          HD11      LEU  84   4.862  27.438   8.536
  610   HD12  LEU  84          HD12      LEU  84   6.279  27.929   7.580
  611   HD13  LEU  84          HD13      LEU  84   4.662  28.101   6.900
  612   HD21  LEU  84          HD21      LEU  84   6.509  24.258   7.287
  613   HD22  LEU  84          HD22      LEU  84   7.387  25.743   7.680
  614   HD23  LEU  84          HD23      LEU  84   6.106  25.158   8.766
  615    H    LEU  85           H        LEU  85   3.002  24.327   4.264
  616    HA   LEU  85           HA       LEU  85   4.717  25.771   2.501
  617    HB2  LEU  85           HB2      LEU  85   3.096  23.231   2.362
  618    HB3  LEU  85           HB3      LEU  85   3.625  23.929   0.852
  619    HG   LEU  85           HG       LEU  85   5.128  22.178   1.693
  620   HD11  LEU  85          HD11      LEU  85   7.213  23.316   1.182
  621   HD12  LEU  85          HD12      LEU  85   5.928  23.916   0.126
  622   HD13  LEU  85          HD13      LEU  85   6.484  24.902   1.496
  623   HD21  LEU  85          HD21      LEU  85   5.939  24.147   3.877
  624   HD22  LEU  85          HD22      LEU  85   5.024  22.643   4.122
  625   HD23  LEU  85          HD23      LEU  85   6.685  22.577   3.522
  626    H    TYR  86           H        TYR  86   1.166  25.491   2.616
  627    HA   TYR  86           HA       TYR  86   0.962  27.400   0.325
  628    HB2  TYR  86           HB2      TYR  86  -0.926  25.096   0.849
  629    HB3  TYR  86           HB3      TYR  86  -0.785  26.076  -0.601
  630    HD1  TYR  86           HD1      TYR  86   1.737  25.972  -1.699
  631    HD2  TYR  86           HD2      TYR  86  -0.099  22.923   0.736
  632    HE1  TYR  86           HE1      TYR  86   3.311  24.296  -2.617
  633    HE2  TYR  86           HE2      TYR  86   1.479  21.243  -0.159
  634    HH   TYR  86           HH       TYR  86   3.269  20.845  -1.603
  635    H    GLY  87           H        GLY  87  -0.174  26.458   3.500
  636    HA2  GLY  87           HA2      GLY  87  -2.567  28.133   3.487
  637    HA3  GLY  87           HA3      GLY  87  -1.900  27.198   4.821
  638    H    GLU  88           H        GLU  88  -2.138  28.884   6.278
  639    HA   GLU  88           HA       GLU  88  -0.571  31.372   5.831
  640    HB2  GLU  88           HB2      GLU  88  -2.300  32.554   6.997
  641    HB3  GLU  88           HB3      GLU  88  -3.001  31.679   5.651
  642    HG2  GLU  88           HG2      GLU  88  -3.098  30.675   8.538
  643    HG3  GLU  88           HG3      GLU  88  -4.321  31.707   7.821
  644    H    GLU  89           H        GLU  89  -0.077  28.619   7.418
  645    HA   GLU  89           HA       GLU  89   0.458  29.575  10.109
  646    HB2  GLU  89           HB2      GLU  89   0.111  27.153   9.352
  647    HB3  GLU  89           HB3      GLU  89   1.723  27.229   8.645
  648    HG2  GLU  89           HG2      GLU  89   1.844  26.131  10.774
  649    HG3  GLU  89           HG3      GLU  89   2.690  27.661  10.892
  650    H    LYS  90           H        LYS  90   2.016  29.875   7.018
  651    HA   LYS  90           HA       LYS  90   4.722  30.291   7.774
  652    HB2  LYS  90           HB2      LYS  90   3.888  29.916   5.430
  653    HB3  LYS  90           HB3      LYS  90   3.132  31.505   5.468
  654    HG2  LYS  90           HG2      LYS  90   5.190  31.633   4.237
  655    HG3  LYS  90           HG3      LYS  90   5.371  32.563   5.726
  656    HD2  LYS  90           HD2      LYS  90   6.669  30.712   6.743
  657    HD3  LYS  90           HD3      LYS  90   6.406  29.720   5.290
  658    HE2  LYS  90           HE2      LYS  90   7.602  31.420   3.927
  659    HE3  LYS  90           HE3      LYS  90   7.851  32.410   5.371
  660    HZ1  LYS  90           HZ1      LYS  90   9.798  31.087   4.859
  661    HZ2  LYS  90           HZ2      LYS  90   9.195  30.611   6.293
  662    HZ3  LYS  90           HZ3      LYS  90   8.964  29.694   4.956
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   1.440   2.538  -0.178
    2    H2   MET   1           H2       MET   1   2.623   3.664  -0.170
    3    H3   MET   1           H3       MET   1   2.365   2.733   1.159
    4    HA   MET   1           HA       MET   1   0.196   3.699   1.477
    5    HB2  MET   1           HB2      MET   1   2.143   4.686   2.646
    6    HB3  MET   1           HB3      MET   1   2.411   5.795   1.295
    7    HG2  MET   1           HG2      MET   1   0.259   6.872   1.698
    8    HG3  MET   1           HG3      MET   1  -0.157   5.670   2.928
    9    HE1  MET   1           HE1      MET   1  -0.300   8.903   3.232
   10    HE2  MET   1           HE2      MET   1  -0.863   7.731   4.449
   11    HE3  MET   1           HE3      MET   1   0.247   9.037   4.917
   12    H    CYS   2           H        CYS   2  -1.580   4.639   0.523
   13    HA   CYS   2           HA       CYS   2  -1.584   5.232  -2.264
   14    HB2  CYS   2           HB2      CYS   2  -3.614   6.059  -0.142
   15    HB3  CYS   2           HB3      CYS   2  -3.887   5.937  -1.888
   16    HG   CYS   2           HG       CYS   2  -5.080   3.949  -0.664
   17    H    ILE   3           H        ILE   3  -2.052   7.213  -3.291
   18    HA   ILE   3           HA       ILE   3  -1.587   9.759  -1.892
   19    HB   ILE   3           HB       ILE   3  -0.111  10.563  -3.694
   20   HG12  ILE   3          HG12      ILE   3   0.100   7.659  -4.613
   21   HG13  ILE   3          HG13      ILE   3  -0.778   8.929  -5.467
   22   HG21  ILE   3          HG21      ILE   3   0.751   9.676  -1.512
   23   HG22  ILE   3          HG22      ILE   3   1.107   8.140  -2.328
   24   HG23  ILE   3          HG23      ILE   3   1.918   9.637  -2.831
   25   HD11  ILE   3          HD11      ILE   3   1.388   8.644  -6.502
   26   HD12  ILE   3          HD12      ILE   3   1.356  10.221  -5.698
   27   HD13  ILE   3          HD13      ILE   3   2.226   8.853  -4.964
   28    H    GLY   4           H        GLY   4  -1.987  11.414  -4.144
   29    HA2  GLY   4           HA2      GLY   4  -4.157  10.599  -5.817
   30    HA3  GLY   4           HA3      GLY   4  -4.788  11.384  -4.354
   31    H    VAL   5           H        VAL   5  -2.280  11.798  -6.919
   32    HA   VAL   5           HA       VAL   5  -2.734  14.708  -6.956
   33    HB   VAL   5           HB       VAL   5  -1.212  14.289  -5.075
   34   HG11  VAL   5          HG11      VAL   5   0.638  12.952  -7.065
   35   HG12  VAL   5          HG12      VAL   5   1.057  13.364  -5.391
   36   HG13  VAL   5          HG13      VAL   5  -0.195  12.166  -5.717
   37   HG21  VAL   5          HG21      VAL   5   0.308  15.585  -7.354
   38   HG22  VAL   5          HG22      VAL   5  -0.843  16.374  -6.248
   39   HG23  VAL   5          HG23      VAL   5   0.671  15.727  -5.628
   40    HA   PRO   6           HA       PRO   6  -1.523  13.873 -11.236
   41    HB2  PRO   6           HB2      PRO   6  -0.729  16.363 -12.088
   42    HB3  PRO   6           HB3      PRO   6  -2.432  15.855 -11.893
   43    HG2  PRO   6           HG2      PRO   6  -0.701  17.384  -9.934
   44    HG3  PRO   6           HG3      PRO   6  -2.371  17.770 -10.471
   45    HD2  PRO   6           HD2      PRO   6  -1.914  16.487  -8.141
   46    HD3  PRO   6           HD3      PRO   6  -3.282  16.005  -9.176
   47    H    GLY   7           H        GLY   7   0.432  13.953 -12.626
   48    HA2  GLY   7           HA2      GLY   7   2.949  15.032 -11.725
   49    HA3  GLY   7           HA3      GLY   7   2.900  13.256 -11.686
   50    H    GLN   8           H        GLN   8   4.672  14.248 -13.477
   51    HA   GLN   8           HA       GLN   8   3.283  14.206 -16.127
   52    HB2  GLN   8           HB2      GLN   8   4.301  16.391 -15.506
   53    HB3  GLN   8           HB3      GLN   8   5.889  15.614 -15.450
   54    HG2  GLN   8           HG2      GLN   8   5.778  15.090 -17.834
   55    HG3  GLN   8           HG3      GLN   8   4.070  15.534 -17.891
   56   HE21  GLN   8          HE22      GLN   8   4.312  17.097 -19.530
   57   HE22  GLN   8          HE21      GLN   8   4.931  18.683 -19.149
   58    H    ILE   9           H        ILE   9   3.867  12.649 -17.518
   59    HA   ILE   9           HA       ILE   9   5.481  10.437 -16.565
   60    HB   ILE   9           HB       ILE   9   4.218  10.998 -19.278
   61   HG12  ILE   9          HG12      ILE   9   3.130   9.405 -16.910
   62   HG13  ILE   9          HG13      ILE   9   2.539  10.980 -17.431
   63   HG21  ILE   9          HG21      ILE   9   5.163   8.365 -18.053
   64   HG22  ILE   9          HG22      ILE   9   4.430   8.560 -19.660
   65   HG23  ILE   9          HG23      ILE   9   6.014   9.243 -19.340
   66   HD11  ILE   9          HD11      ILE   9   2.287   8.388 -18.964
   67   HD12  ILE   9          HD12      ILE   9   1.009   9.314 -18.187
   68   HD13  ILE   9          HD13      ILE   9   1.833  10.002 -19.594
   69    H    ARG  10           H        ARG  10   7.650  10.155 -16.902
   70    HA   ARG  10           HA       ARG  10   9.019  12.175 -18.630
   71    HB2  ARG  10           HB2      ARG  10   9.239  12.678 -16.265
   72    HB3  ARG  10           HB3      ARG  10   9.762  11.032 -15.912
   73    HG2  ARG  10           HG2      ARG  10  11.637  12.618 -15.880
   74    HG3  ARG  10           HG3      ARG  10  11.858  11.365 -17.091
   75    HD2  ARG  10           HD2      ARG  10  11.029  13.044 -18.845
   76    HD3  ARG  10           HD3      ARG  10  11.004  14.253 -17.564
   77    HE   ARG  10           HE       ARG  10  13.286  14.408 -17.647
   78   HH11  ARG  10          HH11      ARG  10  12.351  11.464 -19.452
   79   HH12  ARG  10          HH12      ARG  10  13.923  11.244 -20.136
   80   HH21  ARG  10          HH21      ARG  10  15.365  14.071 -18.551
   81   HH22  ARG  10          HH22      ARG  10  15.665  12.744 -19.605
   82    H    THR  11           H        THR  11   8.929   8.722 -17.707
   83    HA   THR  11           HA       THR  11  10.669   8.137 -20.009
   84    HB   THR  11           HB       THR  11  11.273   6.803 -17.362
   85    HG1  THR  11           HG1      THR  11  12.835   8.311 -16.887
   86   HG21  THR  11          HG21      THR  11  12.294   5.850 -19.388
   87   HG22  THR  11          HG22      THR  11  12.986   7.433 -19.809
   88   HG23  THR  11          HG23      THR  11  13.539   6.564 -18.361
   89    H    ILE  12           H        ILE  12  10.387   5.784 -20.610
   90    HA   ILE  12           HA       ILE  12   8.010   4.504 -19.361
   91    HB   ILE  12           HB       ILE  12   8.434   4.958 -22.336
   92   HG12  ILE  12          HG12      ILE  12   6.271   5.959 -20.421
   93   HG13  ILE  12          HG13      ILE  12   7.540   6.935 -21.150
   94   HG21  ILE  12          HG21      ILE  12   6.309   3.709 -22.634
   95   HG22  ILE  12          HG22      ILE  12   7.527   2.697 -21.899
   96   HG23  ILE  12          HG23      ILE  12   6.242   3.396 -20.885
   97   HD11  ILE  12          HD11      ILE  12   6.589   6.370 -23.425
   98   HD12  ILE  12          HD12      ILE  12   5.189   5.665 -22.571
   99   HD13  ILE  12          HD13      ILE  12   5.580   7.378 -22.369
  100    H    ASP  13           H        ASP  13   8.470   2.468 -18.817
  101    HA   ASP  13           HA       ASP  13  10.940   1.158 -19.818
  102    HB2  ASP  13           HB2      ASP  13  10.505   1.075 -17.410
  103    HB3  ASP  13           HB3      ASP  13   8.900   0.394 -17.692
  104    H    GLY  14           H        GLY  14   7.411   1.028 -19.984
  105    HA2  GLY  14           HA2      GLY  14   7.077  -0.144 -22.443
  106    HA3  GLY  14           HA3      GLY  14   7.207  -1.528 -21.336
  107    H    ASN  15           H        ASN  15   5.331  -2.155 -20.422
  108    HA   ASN  15           HA       ASN  15   2.884  -0.638 -20.489
  109    HB2  ASN  15           HB2      ASN  15   3.044  -3.132 -20.522
  110    HB3  ASN  15           HB3      ASN  15   3.649  -3.098 -18.863
  111   HD21  ASN  15          HD22      ASN  15   2.029  -3.630 -17.412
  112   HD22  ASN  15          HD21      ASN  15   0.367  -3.109 -17.546
  113    H    GLN  16           H        GLN  16   5.546   0.038 -18.647
  114    HA   GLN  16           HA       GLN  16   3.975   1.361 -16.543
  115    HB2  GLN  16           HB2      GLN  16   6.538  -0.180 -15.945
  116    HB3  GLN  16           HB3      GLN  16   5.506   0.691 -14.803
  117    HG2  GLN  16           HG2      GLN  16   3.648  -0.963 -15.430
  118    HG3  GLN  16           HG3      GLN  16   4.869  -1.908 -16.269
  119   HE21  GLN  16          HE22      GLN  16   3.140  -2.309 -13.713
  120   HE22  GLN  16          HE21      GLN  16   4.318  -2.836 -12.517
  121    H    ALA  17           H        ALA  17   5.188   3.213 -15.681
  122    HA   ALA  17           HA       ALA  17   7.362   4.228 -17.411
  123    HB1  ALA  17           HB1      ALA  17   5.187   4.819 -18.513
  124    HB2  ALA  17           HB2      ALA  17   4.663   5.604 -17.000
  125    HB3  ALA  17           HB3      ALA  17   6.029   6.252 -17.905
  126    H    LYS  18           H        LYS  18   8.402   6.098 -16.517
  127    HA   LYS  18           HA       LYS  18   8.133   6.276 -13.566
  128    HB2  LYS  18           HB2      LYS  18  10.402   5.925 -14.938
  129    HB3  LYS  18           HB3      LYS  18  10.295   7.683 -15.143
  130    HG2  LYS  18           HG2      LYS  18  10.077   7.885 -12.627
  131    HG3  LYS  18           HG3      LYS  18  10.258   6.122 -12.514
  132    HD2  LYS  18           HD2      LYS  18  12.482   6.399 -13.764
  133    HD3  LYS  18           HD3      LYS  18  12.292   8.147 -13.514
  134    HE2  LYS  18           HE2      LYS  18  12.019   7.591 -11.000
  135    HE3  LYS  18           HE3      LYS  18  12.534   5.949 -11.403
  136    HZ1  LYS  18           HZ1      LYS  18  14.095   8.438 -11.749
  137    HZ2  LYS  18           HZ2      LYS  18  14.410   7.236 -10.689
  138    HZ3  LYS  18           HZ3      LYS  18  14.611   6.964 -12.285
  139    H    VAL  19           H        VAL  19   7.237   8.059 -12.692
  140    HA   VAL  19           HA       VAL  19   6.489  10.332 -14.481
  141    HB   VAL  19           HB       VAL  19   4.978   8.993 -12.188
  142   HG11  VAL  19          HG11      VAL  19   3.103  10.410 -12.740
  143   HG12  VAL  19          HG12      VAL  19   4.490  11.437 -12.401
  144   HG13  VAL  19          HG13      VAL  19   3.992  11.158 -14.085
  145   HG21  VAL  19          HG21      VAL  19   4.505   8.872 -15.197
  146   HG22  VAL  19          HG22      VAL  19   4.927   7.522 -14.132
  147   HG23  VAL  19          HG23      VAL  19   3.355   8.297 -13.970
  148    H    ASP  20           H        ASP  20   7.055  12.334 -13.691
  149    HA   ASP  20           HA       ASP  20   8.338  12.482 -11.009
  150    HB2  ASP  20           HB2      ASP  20   9.518  13.813 -12.634
  151    HB3  ASP  20           HB3      ASP  20   8.013  14.475 -13.287
  152    H    VAL  21           H        VAL  21   6.934  12.590  -9.403
  153    HA   VAL  21           HA       VAL  21   4.205  13.604  -9.802
  154    HB   VAL  21           HB       VAL  21   5.429  12.306  -7.329
  155   HG11  VAL  21          HG11      VAL  21   3.087  11.829  -6.775
  156   HG12  VAL  21          HG12      VAL  21   3.265  13.567  -7.048
  157   HG13  VAL  21          HG13      VAL  21   2.548  12.551  -8.310
  158   HG21  VAL  21          HG21      VAL  21   4.224  10.225  -8.151
  159   HG22  VAL  21          HG22      VAL  21   4.012  11.024  -9.717
  160   HG23  VAL  21          HG23      VAL  21   5.641  10.656  -9.112
  161    H    CYS  22           H        CYS  22   5.448  15.609 -10.371
  162    HA   CYS  22           HA       CYS  22   5.934  17.768 -10.004
  163    HB2  CYS  22           HB2      CYS  22   4.005  17.365  -7.689
  164    HB3  CYS  22           HB3      CYS  22   4.343  18.894  -8.514
  165    HG   CYS  22           HG       CYS  22   1.968  17.734  -9.121
  166    H    GLY  23           H        GLY  23   7.969  16.075  -8.657
  167    HA2  GLY  23           HA2      GLY  23   9.570  17.872  -7.490
  168    HA3  GLY  23           HA3      GLY  23   8.527  17.476  -6.115
  169    H    ILE  24           H        ILE  24   8.287  14.580  -7.202
  170    HA   ILE  24           HA       ILE  24  11.010  13.604  -6.984
  171    HB   ILE  24           HB       ILE  24  10.222  13.813  -4.599
  172   HG12  ILE  24          HG12      ILE  24  10.772  11.544  -3.838
  173   HG13  ILE  24          HG13      ILE  24  10.630  10.926  -5.482
  174   HG21  ILE  24          HG21      ILE  24   8.491  12.323  -3.725
  175   HG22  ILE  24          HG22      ILE  24   7.805  13.376  -4.971
  176   HG23  ILE  24          HG23      ILE  24   8.187  11.684  -5.353
  177   HD11  ILE  24          HD11      ILE  24  12.983  11.317  -4.756
  178   HD12  ILE  24          HD12      ILE  24  12.571  12.274  -6.185
  179   HD13  ILE  24          HD13      ILE  24  12.633  13.048  -4.581
  180    H    GLN  25           H        GLN  25  11.127  11.378  -7.759
  181    HA   GLN  25           HA       GLN  25   9.010  10.966  -9.770
  182    HB2  GLN  25           HB2      GLN  25  11.775   9.733  -9.484
  183    HB3  GLN  25           HB3      GLN  25  10.611   9.352 -10.763
  184    HG2  GLN  25           HG2      GLN  25  10.578  11.779 -11.407
  185    HG3  GLN  25           HG3      GLN  25  11.890  12.076 -10.265
  186   HE21  GLN  25          HE22      GLN  25  11.520  11.976 -13.431
  187   HE22  GLN  25          HE21      GLN  25  12.958  11.118 -13.930
  188    H    ARG  26           H        ARG  26   7.932   9.052 -10.067
  189    HA   ARG  26           HA       ARG  26   8.394   6.805  -8.175
  190    HB2  ARG  26           HB2      ARG  26   5.722   8.237  -8.572
  191    HB3  ARG  26           HB3      ARG  26   5.781   6.514  -8.275
  192    HG2  ARG  26           HG2      ARG  26   5.483   7.215  -6.159
  193    HG3  ARG  26           HG3      ARG  26   7.234   7.068  -6.198
  194    HD2  ARG  26           HD2      ARG  26   7.312   9.607  -6.606
  195    HD3  ARG  26           HD3      ARG  26   5.565   9.615  -6.395
  196    HE   ARG  26           HE       ARG  26   5.782   9.292  -4.127
  197   HH11  ARG  26          HH21      ARG  26   9.014   8.819  -5.613
  198   HH12  ARG  26          HH22      ARG  26   9.803   8.662  -4.084
  199   HH21  ARG  26          HH11      ARG  26   6.809   9.030  -2.190
  200   HH22  ARG  26          HH12      ARG  26   8.544   8.867  -2.070
  201    H    ASP  27           H        ASP  27   7.779   4.784  -9.070
  202    HA   ASP  27           HA       ASP  27   7.534   4.682 -12.026
  203    HB2  ASP  27           HB2      ASP  27   9.036   3.062 -10.985
  204    HB3  ASP  27           HB3      ASP  27   7.770   2.546  -9.864
  205    H    VAL  28           H        VAL  28   5.559   4.162 -13.010
  206    HA   VAL  28           HA       VAL  28   3.208   3.705 -11.271
  207    HB   VAL  28           HB       VAL  28   3.443   5.758 -13.506
  208   HG11  VAL  28          HG11      VAL  28   1.123   5.123 -11.635
  209   HG12  VAL  28          HG12      VAL  28   1.177   6.460 -12.807
  210   HG13  VAL  28          HG13      VAL  28   1.184   4.794 -13.382
  211   HG21  VAL  28          HG21      VAL  28   4.577   6.621 -11.515
  212   HG22  VAL  28          HG22      VAL  28   3.015   7.424 -11.656
  213   HG23  VAL  28          HG23      VAL  28   3.227   6.115 -10.476
  214    H    ASP  29           H        ASP  29   1.877   2.130 -12.088
  215    HA   ASP  29           HA       ASP  29   2.614   0.744 -14.561
  216    HB2  ASP  29           HB2      ASP  29   1.885  -0.437 -12.491
  217    HB3  ASP  29           HB3      ASP  29   0.304   0.330 -12.629
  218    H    LEU  30           H        LEU  30   1.432   0.792 -16.514
  219    HA   LEU  30           HA       LEU  30  -0.569   2.996 -16.706
  220    HB2  LEU  30           HB2      LEU  30   1.881   2.323 -18.282
  221    HB3  LEU  30           HB3      LEU  30   0.481   2.769 -19.227
  222    HG   LEU  30           HG       LEU  30   0.238   4.876 -17.918
  223   HD11  LEU  30          HD11      LEU  30   2.206   5.678 -16.612
  224   HD12  LEU  30          HD12      LEU  30   1.377   4.333 -15.838
  225   HD13  LEU  30          HD13      LEU  30   2.897   4.039 -16.700
  226   HD21  LEU  30          HD21      LEU  30   1.347   4.855 -20.079
  227   HD22  LEU  30          HD22      LEU  30   2.172   5.994 -19.008
  228   HD23  LEU  30          HD23      LEU  30   2.895   4.402 -19.331
  229    H    THR  31           H        THR  31  -0.804  -0.230 -16.489
  230    HA   THR  31           HA       THR  31  -1.871  -1.165 -18.883
  231    HB   THR  31           HB       THR  31  -2.955  -1.863 -16.123
  232    HG1  THR  31           HG1      THR  31  -0.821  -1.994 -15.906
  233   HG21  THR  31          HG21      THR  31  -4.138  -3.005 -17.955
  234   HG22  THR  31          HG22      THR  31  -2.592  -3.525 -18.661
  235   HG23  THR  31          HG23      THR  31  -3.120  -4.157 -17.083
  236    H    LEU  32           H        LEU  32  -3.440   0.930 -16.487
  237    HA   LEU  32           HA       LEU  32  -6.121   0.565 -17.477
  238    HB2  LEU  32           HB2      LEU  32  -4.923   2.777 -15.763
  239    HB3  LEU  32           HB3      LEU  32  -6.643   2.493 -15.999
  240    HG   LEU  32           HG       LEU  32  -4.699   0.611 -14.598
  241   HD11  LEU  32          HD11      LEU  32  -6.991   2.292 -13.505
  242   HD12  LEU  32          HD12      LEU  32  -5.959   1.182 -12.573
  243   HD13  LEU  32          HD13      LEU  32  -5.262   2.632 -13.306
  244   HD21  LEU  32          HD21      LEU  32  -6.733  -0.680 -13.953
  245   HD22  LEU  32          HD22      LEU  32  -7.702   0.323 -15.054
  246   HD23  LEU  32          HD23      LEU  32  -6.423  -0.740 -15.687
  247    H    VAL  33           H        VAL  33  -3.511   2.382 -18.819
  248    HA   VAL  33           HA       VAL  33  -5.413   4.128 -20.324
  249    HB   VAL  33           HB       VAL  33  -3.882   6.014 -20.004
  250   HG11  VAL  33          HG11      VAL  33  -4.766   4.879 -17.314
  251   HG12  VAL  33          HG12      VAL  33  -4.514   6.576 -17.732
  252   HG13  VAL  33          HG13      VAL  33  -5.838   5.680 -18.484
  253   HG21  VAL  33          HG21      VAL  33  -2.404   4.233 -18.011
  254   HG22  VAL  33          HG22      VAL  33  -1.763   4.816 -19.562
  255   HG23  VAL  33          HG23      VAL  33  -2.127   5.960 -18.272
  256    H    GLY  34           H        GLY  34  -2.485   2.180 -20.408
  257    HA2  GLY  34           HA2      GLY  34  -1.498   1.295 -22.299
  258    HA3  GLY  34           HA3      GLY  34  -2.373   2.421 -23.341
  259    H    SER  35           H        SER  35   0.511   1.715 -23.221
  260    HA   SER  35           HA       SER  35   2.018   3.850 -22.058
  261    HB2  SER  35           HB2      SER  35   3.848   2.636 -23.426
  262    HB3  SER  35           HB3      SER  35   3.016   1.755 -22.133
  263    HG   SER  35           HG       SER  35   3.184   0.527 -24.071
  264    H    CYS  36           H        CYS  36   0.127   3.858 -24.850
  265    HA   CYS  36           HA       CYS  36   1.478   6.294 -25.818
  266    HB2  CYS  36           HB2      CYS  36   0.473   4.041 -27.617
  267    HB3  CYS  36           HB3      CYS  36   0.940   5.658 -28.161
  268    HG   CYS  36           HG       CYS  36   2.812   3.945 -28.794
  269    H    ASP  37           H        ASP  37  -0.013   7.675 -26.879
  270    HA   ASP  37           HA       ASP  37  -2.744   7.768 -25.895
  271    HB2  ASP  37           HB2      ASP  37  -1.471   9.799 -26.348
  272    HB3  ASP  37           HB3      ASP  37  -1.153   9.254 -28.002
  273    H    GLU  38           H        GLU  38  -4.594   7.940 -27.470
  274    HA   GLU  38           HA       GLU  38  -5.033   5.593 -28.950
  275    HB2  GLU  38           HB2      GLU  38  -6.712   7.241 -27.965
  276    HB3  GLU  38           HB3      GLU  38  -6.333   8.331 -29.300
  277    HG2  GLU  38           HG2      GLU  38  -8.370   7.177 -29.819
  278    HG3  GLU  38           HG3      GLU  38  -7.134   6.585 -30.914
  279    H    ASN  39           H        ASN  39  -3.799   8.811 -30.000
  280    HA   ASN  39           HA       ASN  39  -3.762   7.996 -32.822
  281    HB2  ASN  39           HB2      ASN  39  -4.452  10.278 -32.025
  282    HB3  ASN  39           HB3      ASN  39  -2.800  10.539 -31.470
  283   HD21  ASN  39          HD22      ASN  39  -2.290  12.229 -32.861
  284   HD22  ASN  39          HD21      ASN  39  -2.206  12.065 -34.597
  285    H    GLY  40           H        GLY  40  -1.898   6.898 -30.460
  286    HA2  GLY  40           HA2      GLY  40   0.047   5.738 -30.603
  287    HA3  GLY  40           HA3      GLY  40   0.336   6.386 -32.223
  288    H    GLN  41           H        GLN  41  -0.231   8.921 -29.976
  289    HA   GLN  41           HA       GLN  41   2.465   9.895 -30.205
  290    HB2  GLN  41           HB2      GLN  41   0.348  10.840 -28.229
  291    HB3  GLN  41           HB3      GLN  41   1.756  11.719 -28.796
  292    HG2  GLN  41           HG2      GLN  41   0.812  11.834 -31.074
  293    HG3  GLN  41           HG3      GLN  41  -0.588  10.886 -30.571
  294   HE21  GLN  41          HE21      GLN  41  -2.275  11.863 -29.288
  295   HE22  GLN  41          HE22      GLN  41  -2.308  13.598 -29.047
  296    HA   PRO  42           HA       PRO  42   4.150   7.559 -26.677
  297    HB2  PRO  42           HB2      PRO  42   5.910  10.007 -26.430
  298    HB3  PRO  42           HB3      PRO  42   6.373   8.277 -26.368
  299    HG2  PRO  42           HG2      PRO  42   6.808   9.738 -28.614
  300    HG3  PRO  42           HG3      PRO  42   6.174   8.064 -28.737
  301    HD2  PRO  42           HD2      PRO  42   4.643  10.669 -28.917
  302    HD3  PRO  42           HD3      PRO  42   4.504   9.193 -29.924
  303    H    ARG  43           H        ARG  43   3.707   7.602 -24.438
  304    HA   ARG  43           HA       ARG  43   2.048   9.719 -23.439
  305    HB2  ARG  43           HB2      ARG  43   3.314   7.298 -22.129
  306    HB3  ARG  43           HB3      ARG  43   2.367   8.458 -21.225
  307    HG2  ARG  43           HG2      ARG  43   1.271   7.003 -23.642
  308    HG3  ARG  43           HG3      ARG  43   1.152   6.394 -21.985
  309    HD2  ARG  43           HD2      ARG  43  -0.091   8.479 -21.367
  310    HD3  ARG  43           HD3      ARG  43  -0.038   8.959 -23.075
  311    HE   ARG  43           HE       ARG  43  -1.158   6.296 -22.457
  312   HH11  ARG  43          HH11      ARG  43  -1.917   9.731 -23.256
  313   HH12  ARG  43          HH12      ARG  43  -3.534   9.367 -23.724
  314   HH21  ARG  43          HH21      ARG  43  -3.351   5.898 -23.040
  315   HH22  ARG  43          HH22      ARG  43  -4.362   7.186 -23.576
  316    H    VAL  44           H        VAL  44   5.522   9.519 -23.582
  317    HA   VAL  44           HA       VAL  44   6.203  10.890 -21.212
  318    HB   VAL  44           HB       VAL  44   7.547  11.092 -23.946
  319   HG11  VAL  44          HG11      VAL  44   9.601  11.593 -22.612
  320   HG12  VAL  44          HG12      VAL  44   8.373  12.844 -22.424
  321   HG13  VAL  44          HG13      VAL  44   8.616  11.644 -21.136
  322   HG21  VAL  44          HG21      VAL  44   7.434   8.744 -23.262
  323   HG22  VAL  44          HG22      VAL  44   9.078   9.329 -23.052
  324   HG23  VAL  44          HG23      VAL  44   8.025   9.162 -21.632
  325    H    GLY  45           H        GLY  45   6.086  12.987 -20.563
  326    HA2  GLY  45           HA2      GLY  45   5.890  15.282 -20.714
  327    HA3  GLY  45           HA3      GLY  45   5.507  15.168 -22.438
  328    H    GLN  46           H        GLN  46   3.370  12.973 -21.585
  329    HA   GLN  46           HA       GLN  46   1.164  14.860 -21.172
  330    HB2  GLN  46           HB2      GLN  46   1.160  11.806 -21.195
  331    HB3  GLN  46           HB3      GLN  46  -0.252  12.861 -21.187
  332    HG2  GLN  46           HG2      GLN  46   0.388  13.816 -23.364
  333    HG3  GLN  46           HG3      GLN  46   1.847  12.823 -23.403
  334   HE21  GLN  46          HE22      GLN  46   1.468  11.462 -25.185
  335   HE22  GLN  46          HE21      GLN  46   0.029  10.495 -25.356
  336    H    TRP  47           H        TRP  47  -0.321  14.526 -19.295
  337    HA   TRP  47           HA       TRP  47   1.275  14.044 -16.818
  338    HB2  TRP  47           HB2      TRP  47  -1.015  15.914 -17.420
  339    HB3  TRP  47           HB3      TRP  47  -0.506  15.517 -15.783
  340    HD1  TRP  47           HD1      TRP  47   1.096  16.967 -18.980
  341    HE1  TRP  47           HE1      TRP  47   2.740  18.836 -18.331
  342    HE3  TRP  47           HE3      TRP  47   0.828  16.521 -13.900
  343    HZ2  TRP  47           HZ2      TRP  47   3.803  19.978 -15.894
  344    HZ3  TRP  47           HZ3      TRP  47   2.157  18.008 -12.439
  345    HH2  TRP  47           HH2      TRP  47   3.649  19.739 -13.415
  346    H    VAL  48           H        VAL  48   0.104  13.137 -15.021
  347    HA   VAL  48           HA       VAL  48  -2.155  11.377 -15.743
  348    HB   VAL  48           HB       VAL  48  -0.147  10.245 -16.479
  349   HG11  VAL  48          HG11      VAL  48   0.966  10.527 -13.669
  350   HG12  VAL  48          HG12      VAL  48   1.667   9.560 -14.979
  351   HG13  VAL  48          HG13      VAL  48   1.597  11.315 -15.129
  352   HG21  VAL  48          HG21      VAL  48  -1.898   8.849 -15.442
  353   HG22  VAL  48          HG22      VAL  48  -0.274   8.164 -15.276
  354   HG23  VAL  48          HG23      VAL  48  -1.042   8.953 -13.886
  355    H    LEU  49           H        LEU  49  -3.386  10.814 -13.991
  356    HA   LEU  49           HA       LEU  49  -2.794  12.098 -11.366
  357    HB2  LEU  49           HB2      LEU  49  -5.181  10.568 -12.500
  358    HB3  LEU  49           HB3      LEU  49  -4.997  10.870 -10.783
  359    HG   LEU  49           HG       LEU  49  -6.535  12.429 -11.750
  360   HD11  LEU  49          HD11      LEU  49  -3.994  13.950 -11.037
  361   HD12  LEU  49          HD12      LEU  49  -5.669  14.501 -10.881
  362   HD13  LEU  49          HD13      LEU  49  -5.083  13.182  -9.858
  363   HD21  LEU  49          HD21      LEU  49  -6.024  14.048 -13.420
  364   HD22  LEU  49          HD22      LEU  49  -4.309  13.589 -13.464
  365   HD23  LEU  49          HD23      LEU  49  -5.546  12.465 -14.065
  366    H    VAL  50           H        VAL  50  -1.911  10.890  -9.725
  367    HA   VAL  50           HA       VAL  50  -1.655   7.951 -10.168
  368    HB   VAL  50           HB       VAL  50   0.359   9.719  -8.725
  369   HG11  VAL  50          HG11      VAL  50   0.369   7.286  -8.167
  370   HG12  VAL  50          HG12      VAL  50   0.543   6.894  -9.892
  371   HG13  VAL  50          HG13      VAL  50   1.834   7.760  -9.029
  372   HG21  VAL  50          HG21      VAL  50   0.455   8.788 -11.631
  373   HG22  VAL  50          HG22      VAL  50   0.416  10.470 -11.055
  374   HG23  VAL  50          HG23      VAL  50   1.828   9.471 -10.726
  375    H    HIS  51           H        HIS  51  -2.298   6.721  -8.483
  376    HA   HIS  51           HA       HIS  51  -3.283   8.078  -6.015
  377    HB2  HIS  51           HB2      HIS  51  -5.084   7.943  -7.657
  378    HB3  HIS  51           HB3      HIS  51  -4.803   6.221  -7.885
  379    HD1  HIS  51           HD1      HIS  51  -5.002   7.718  -4.323
  380    HD2  HIS  51           HD2      HIS  51  -7.261   5.535  -7.135
  381    HE1  HIS  51           HE1      HIS  51  -7.043   6.835  -3.081
  382    H    VAL  52           H        VAL  52  -2.740   4.855  -7.562
  383    HA   VAL  52           HA       VAL  52  -1.757   3.829  -4.942
  384    HB   VAL  52           HB       VAL  52  -3.025   1.735  -5.440
  385   HG11  VAL  52          HG11      VAL  52  -4.816   4.172  -5.145
  386   HG12  VAL  52          HG12      VAL  52  -5.155   2.515  -4.621
  387   HG13  VAL  52          HG13      VAL  52  -3.858   3.438  -3.846
  388   HG21  VAL  52          HG21      VAL  52  -4.891   1.730  -6.999
  389   HG22  VAL  52          HG22      VAL  52  -4.546   3.388  -7.517
  390   HG23  VAL  52          HG23      VAL  52  -3.409   2.072  -7.893
  391    H    GLY  53           H        GLY  53  -0.200   4.779  -7.219
  392    HA2  GLY  53           HA2      GLY  53   1.728   4.102  -8.297
  393    HA3  GLY  53           HA3      GLY  53   1.486   2.452  -7.703
  394    H    PHE  54           H        PHE  54  -1.221   3.886  -9.359
  395    HA   PHE  54           HA       PHE  54  -0.531   2.644 -11.961
  396    HB2  PHE  54           HB2      PHE  54  -3.132   2.412 -10.388
  397    HB3  PHE  54           HB3      PHE  54  -3.063   2.230 -12.126
  398    HD1  PHE  54           HD1      PHE  54  -1.602   0.767  -8.978
  399    HD2  PHE  54           HD2      PHE  54  -2.639   0.144 -13.119
  400    HE1  PHE  54           HE1      PHE  54  -1.077  -1.643  -8.748
  401    HE2  PHE  54           HE2      PHE  54  -2.126  -2.265 -12.882
  402    HZ   PHE  54           HZ       PHE  54  -1.338  -3.168 -10.700
  403    H    ALA  55           H        ALA  55  -1.263   3.855 -13.688
  404    HA   ALA  55           HA       ALA  55  -1.792   6.669 -13.373
  405    HB1  ALA  55           HB1      ALA  55  -0.665   5.764 -15.361
  406    HB2  ALA  55           HB2      ALA  55  -2.066   4.735 -15.725
  407    HB3  ALA  55           HB3      ALA  55  -2.211   6.497 -15.851
  408    H    MET  56           H        MET  56  -3.676   7.259 -12.357
  409    HA   MET  56           HA       MET  56  -6.074   5.647 -12.456
  410    HB2  MET  56           HB2      MET  56  -5.393   7.075 -10.538
  411    HB3  MET  56           HB3      MET  56  -5.662   8.519 -11.520
  412    HG2  MET  56           HG2      MET  56  -8.047   7.933 -11.747
  413    HG3  MET  56           HG3      MET  56  -7.775   6.445 -10.827
  414    HE1  MET  56           HE1      MET  56  -9.936   8.574  -8.359
  415    HE2  MET  56           HE2      MET  56 -10.074   8.504 -10.130
  416    HE3  MET  56           HE3      MET  56  -9.760   7.019  -9.202
  417    H    SER  57           H        SER  57  -5.044   8.740 -13.997
  418    HA   SER  57           HA       SER  57  -6.683   8.230 -16.357
  419    HB2  SER  57           HB2      SER  57  -6.970  10.818 -14.750
  420    HB3  SER  57           HB3      SER  57  -7.754  10.444 -16.290
  421    HG   SER  57           HG       SER  57  -9.160  10.167 -14.517
  422    H    VAL  58           H        VAL  58  -5.906   9.714 -18.120
  423    HA   VAL  58           HA       VAL  58  -3.331  11.092 -17.533
  424    HB   VAL  58           HB       VAL  58  -4.084   9.300 -19.863
  425   HG11  VAL  58          HG11      VAL  58  -3.043  11.273 -20.893
  426   HG12  VAL  58          HG12      VAL  58  -1.698  11.197 -19.732
  427   HG13  VAL  58          HG13      VAL  58  -1.925   9.910 -20.916
  428   HG21  VAL  58          HG21      VAL  58  -1.637   9.338 -18.043
  429   HG22  VAL  58          HG22      VAL  58  -3.020   8.258 -17.832
  430   HG23  VAL  58          HG23      VAL  58  -2.016   8.130 -19.287
  431    H    ILE  59           H        ILE  59  -3.096  13.102 -18.478
  432    HA   ILE  59           HA       ILE  59  -5.387  14.304 -19.897
  433    HB   ILE  59           HB       ILE  59  -5.485  16.150 -18.263
  434   HG12  ILE  59          HG12      ILE  59  -3.622  14.449 -16.544
  435   HG13  ILE  59          HG13      ILE  59  -3.263  16.014 -17.282
  436   HG21  ILE  59          HG21      ILE  59  -6.895  15.066 -16.665
  437   HG22  ILE  59          HG22      ILE  59  -7.047  14.172 -18.175
  438   HG23  ILE  59          HG23      ILE  59  -6.052  13.515 -16.854
  439   HD11  ILE  59          HD11      ILE  59  -5.293  15.518 -15.075
  440   HD12  ILE  59          HD12      ILE  59  -3.717  16.296 -14.922
  441   HD13  ILE  59          HD13      ILE  59  -5.005  17.076 -15.869
  442    H    ASN  60           H        ASN  60  -4.882  16.517 -20.605
  443    HA   ASN  60           HA       ASN  60  -2.161  16.762 -21.655
  444    HB2  ASN  60           HB2      ASN  60  -2.987  18.695 -22.838
  445    HB3  ASN  60           HB3      ASN  60  -4.155  17.400 -23.019
  446   HD21  ASN  60          HD22      ASN  60  -6.320  17.859 -22.398
  447   HD22  ASN  60          HD21      ASN  60  -6.780  19.298 -21.499
  448    H    GLU  61           H        GLU  61  -1.101  19.011 -21.432
  449    HA   GLU  61           HA       GLU  61  -0.317  19.216 -18.725
  450    HB2  GLU  61           HB2      GLU  61   0.129  21.233 -20.977
  451    HB3  GLU  61           HB3      GLU  61   0.968  21.186 -19.431
  452    HG2  GLU  61           HG2      GLU  61   1.466  18.639 -20.341
  453    HG3  GLU  61           HG3      GLU  61   1.342  19.501 -21.864
  454    H    ALA  62           H        ALA  62  -2.617  21.234 -20.603
  455    HA   ALA  62           HA       ALA  62  -2.603  23.393 -18.683
  456    HB1  ALA  62           HB1      ALA  62  -4.678  22.693 -20.811
  457    HB2  ALA  62           HB2      ALA  62  -4.541  24.229 -19.938
  458    HB3  ALA  62           HB3      ALA  62  -3.250  23.730 -21.048
  459    H    GLU  63           H        GLU  63  -4.709  20.550 -19.244
  460    HA   GLU  63           HA       GLU  63  -6.523  21.096 -17.075
  461    HB2  GLU  63           HB2      GLU  63  -5.904  18.797 -18.879
  462    HB3  GLU  63           HB3      GLU  63  -6.499  18.351 -17.284
  463    HG2  GLU  63           HG2      GLU  63  -8.351  18.540 -18.832
  464    HG3  GLU  63           HG3      GLU  63  -8.485  19.712 -17.528
  465    H    ALA  64           H        ALA  64  -3.311  19.470 -17.196
  466    HA   ALA  64           HA       ALA  64  -3.438  18.587 -14.458
  467    HB1  ALA  64           HB1      ALA  64  -1.093  18.190 -14.655
  468    HB2  ALA  64           HB2      ALA  64  -1.874  17.695 -16.170
  469    HB3  ALA  64           HB3      ALA  64  -0.953  19.214 -16.095
  470    H    ARG  65           H        ARG  65  -2.198  21.636 -15.983
  471    HA   ARG  65           HA       ARG  65  -1.206  22.667 -13.481
  472    HB2  ARG  65           HB2      ARG  65  -2.176  24.387 -15.789
  473    HB3  ARG  65           HB3      ARG  65  -1.054  24.813 -14.511
  474    HG2  ARG  65           HG2      ARG  65  -0.586  23.257 -17.015
  475    HG3  ARG  65           HG3      ARG  65   0.335  24.563 -16.331
  476    HD2  ARG  65           HD2      ARG  65   1.336  23.055 -14.655
  477    HD3  ARG  65           HD3      ARG  65   0.321  21.726 -15.205
  478    HE   ARG  65           HE       ARG  65   1.577  21.401 -17.076
  479   HH11  ARG  65          HH11      ARG  65   2.762  24.314 -15.432
  480   HH12  ARG  65          HH12      ARG  65   4.239  24.388 -16.318
  481   HH21  ARG  65          HH21      ARG  65   3.569  21.492 -18.288
  482   HH22  ARG  65          HH22      ARG  65   4.690  22.761 -17.959
  483    H    ASP  66           H        ASP  66  -4.393  22.924 -15.120
  484    HA   ASP  66           HA       ASP  66  -5.625  24.600 -13.167
  485    HB2  ASP  66           HB2      ASP  66  -6.654  24.162 -15.331
  486    HB3  ASP  66           HB3      ASP  66  -6.806  22.444 -14.957
  487    H    THR  67           H        THR  67  -5.323  21.011 -13.350
  488    HA   THR  67           HA       THR  67  -6.756  20.444 -10.969
  489    HB   THR  67           HB       THR  67  -4.455  18.904 -12.251
  490    HG1  THR  67           HG1      THR  67  -6.095  19.216 -13.720
  491   HG21  THR  67          HG21      THR  67  -5.525  16.907 -11.258
  492   HG22  THR  67          HG22      THR  67  -4.960  18.022 -10.008
  493   HG23  THR  67          HG23      THR  67  -6.689  17.950 -10.406
  494    H    LEU  68           H        LEU  68  -3.267  21.217 -11.480
  495    HA   LEU  68           HA       LEU  68  -2.494  20.816  -8.766
  496    HB2  LEU  68           HB2      LEU  68  -1.366  22.414 -11.086
  497    HB3  LEU  68           HB3      LEU  68  -0.654  22.575  -9.493
  498    HG   LEU  68           HG       LEU  68  -0.955  19.886 -10.880
  499   HD11  LEU  68          HD11      LEU  68   1.463  20.100 -11.389
  500   HD12  LEU  68          HD12      LEU  68   0.502  21.329 -12.219
  501   HD13  LEU  68          HD13      LEU  68   1.444  21.768 -10.775
  502   HD21  LEU  68          HD21      LEU  68  -0.694  19.696  -8.431
  503   HD22  LEU  68          HD22      LEU  68   0.797  19.213  -9.229
  504   HD23  LEU  68          HD23      LEU  68   0.689  20.810  -8.471
  505    H    ASP  69           H        ASP  69  -3.818  23.738 -10.423
  506    HA   ASP  69           HA       ASP  69  -3.550  25.412  -8.076
  507    HB2  ASP  69           HB2      ASP  69  -3.851  26.385 -10.289
  508    HB3  ASP  69           HB3      ASP  69  -5.418  25.593 -10.470
  509    H    ALA  70           H        ALA  70  -6.217  23.414  -9.395
  510    HA   ALA  70           HA       ALA  70  -8.172  24.017  -7.467
  511    HB1  ALA  70           HB1      ALA  70  -8.626  22.868  -9.605
  512    HB2  ALA  70           HB2      ALA  70  -7.774  21.422  -9.011
  513    HB3  ALA  70           HB3      ALA  70  -9.268  21.961  -8.224
  514    H    LEU  71           H        LEU  71  -5.482  21.683  -7.343
  515    HA   LEU  71           HA       LEU  71  -6.320  20.534  -4.809
  516    HB2  LEU  71           HB2      LEU  71  -4.983  19.261  -6.424
  517    HB3  LEU  71           HB3      LEU  71  -3.688  20.451  -6.339
  518    HG   LEU  71           HG       LEU  71  -3.293  19.877  -3.954
  519   HD11  LEU  71          HD11      LEU  71  -5.443  17.750  -4.395
  520   HD12  LEU  71          HD12      LEU  71  -4.346  17.829  -2.999
  521   HD13  LEU  71          HD13      LEU  71  -5.525  19.114  -3.256
  522   HD21  LEU  71          HD21      LEU  71  -3.297  17.467  -5.815
  523   HD22  LEU  71          HD22      LEU  71  -2.047  18.730  -5.740
  524   HD23  LEU  71          HD23      LEU  71  -2.310  17.667  -4.349
  525    H    GLN  72           H        GLN  72  -3.571  22.716  -5.759
  526    HA   GLN  72           HA       GLN  72  -2.527  22.930  -3.194
  527    HB2  GLN  72           HB2      GLN  72  -2.381  24.808  -5.566
  528    HB3  GLN  72           HB3      GLN  72  -1.496  25.117  -4.068
  529    HG2  GLN  72           HG2      GLN  72  -0.249  23.060  -4.234
  530    HG3  GLN  72           HG3      GLN  72  -1.212  22.498  -5.598
  531   HE21  GLN  72          HE22      GLN  72  -1.217  23.961  -7.560
  532   HE22  GLN  72          HE21      GLN  72   0.296  24.749  -8.003
  533    H    ASN  73           H        ASN  73  -5.033  25.083  -4.636
  534    HA   ASN  73           HA       ASN  73  -4.957  26.979  -2.553
  535    HB2  ASN  73           HB2      ASN  73  -6.909  27.918  -3.402
  536    HB3  ASN  73           HB3      ASN  73  -6.148  27.201  -4.816
  537   HD21  ASN  73          HD22      ASN  73  -7.085  25.196  -5.672
  538   HD22  ASN  73          HD21      ASN  73  -8.682  24.653  -5.195
  539    H    MET  74           H        MET  74  -6.052  23.735  -2.218
  540    HA   MET  74           HA       MET  74  -7.213  24.453   0.415
  541    HB2  MET  74           HB2      MET  74  -8.935  22.722   0.151
  542    HB3  MET  74           HB3      MET  74  -9.092  24.049  -0.981
  543    HG2  MET  74           HG2      MET  74  -9.627  22.104  -2.161
  544    HG3  MET  74           HG3      MET  74  -8.066  22.621  -2.772
  545    HE1  MET  74           HE1      MET  74  -9.707  19.679  -3.014
  546    HE2  MET  74           HE2      MET  74  -8.316  20.213  -3.977
  547    HE3  MET  74           HE3      MET  74  -8.253  18.661  -3.112
  548    H    PHE  75           H        PHE  75  -4.554  23.266  -0.812
  549    HA   PHE  75           HA       PHE  75  -4.324  20.988   1.115
  550    HB2  PHE  75           HB2      PHE  75  -4.839  20.203  -1.178
  551    HB3  PHE  75           HB3      PHE  75  -3.436  21.066  -1.788
  552    HD1  PHE  75           HD1      PHE  75  -4.530  18.236   0.378
  553    HD2  PHE  75           HD2      PHE  75  -1.240  20.107  -1.700
  554    HE1  PHE  75           HE1      PHE  75  -3.167  16.183   0.674
  555    HE2  PHE  75           HE2      PHE  75   0.117  18.056  -1.396
  556    HZ   PHE  75           HZ       PHE  75  -0.847  16.091  -0.220
  557    H    ASP  76           H        ASP  76  -2.524  23.363  -0.975
  558    HA   ASP  76           HA       ASP  76   0.001  22.942   0.394
  559    HB2  ASP  76           HB2      ASP  76  -0.090  23.882  -1.867
  560    HB3  ASP  76           HB3      ASP  76  -1.035  25.257  -1.289
  561    H    VAL  77           H        VAL  77  -2.833  24.985   0.839
  562    HA   VAL  77           HA       VAL  77  -1.801  26.593   2.992
  563    HB   VAL  77           HB       VAL  77  -4.226  27.177   3.284
  564   HG11  VAL  77          HG11      VAL  77  -4.437  28.381   1.172
  565   HG12  VAL  77          HG12      VAL  77  -2.760  28.430   1.736
  566   HG13  VAL  77          HG13      VAL  77  -3.218  27.344   0.407
  567   HG21  VAL  77          HG21      VAL  77  -5.210  24.986   2.511
  568   HG22  VAL  77          HG22      VAL  77  -5.899  26.405   1.719
  569   HG23  VAL  77          HG23      VAL  77  -4.730  25.401   0.849
  570    H    GLU  78           H        GLU  78  -2.309  23.280   2.979
  571    HA   GLU  78           HA       GLU  78  -2.743  23.218   5.913
  572    HB2  GLU  78           HB2      GLU  78  -4.091  21.450   3.829
  573    HB3  GLU  78           HB3      GLU  78  -4.046  21.094   5.552
  574    HG2  GLU  78           HG2      GLU  78  -5.377  23.498   4.256
  575    HG3  GLU  78           HG3      GLU  78  -6.182  22.071   4.885
  576    HA   PRO  79           HA       PRO  79   1.040  21.342   3.983
  577    HB2  PRO  79           HB2      PRO  79   2.948  22.170   5.809
  578    HB3  PRO  79           HB3      PRO  79   2.369  23.145   4.425
  579    HG2  PRO  79           HG2      PRO  79   1.427  23.252   7.305
  580    HG3  PRO  79           HG3      PRO  79   1.870  24.620   6.232
  581    HD2  PRO  79           HD2      PRO  79  -0.716  23.902   6.598
  582    HD3  PRO  79           HD3      PRO  79  -0.129  24.402   4.982
  583    H    ASP  80           H        ASP  80  -0.257  20.964   7.241
  584    HA   ASP  80           HA       ASP  80   1.266  18.617   7.967
  585    HB2  ASP  80           HB2      ASP  80  -0.016  19.868   9.626
  586    HB3  ASP  80           HB3      ASP  80  -1.521  19.543   8.759
  587    H    VAL  81           H        VAL  81  -1.762  19.146   6.103
  588    HA   VAL  81           HA       VAL  81  -2.270  16.309   5.709
  589    HB   VAL  81           HB       VAL  81  -3.366  18.720   4.192
  590   HG11  VAL  81          HG11      VAL  81  -3.718  16.588   2.998
  591   HG12  VAL  81          HG12      VAL  81  -4.422  15.870   4.460
  592   HG13  VAL  81          HG13      VAL  81  -5.243  17.212   3.630
  593   HG21  VAL  81          HG21      VAL  81  -3.923  18.927   6.598
  594   HG22  VAL  81          HG22      VAL  81  -5.355  18.502   5.665
  595   HG23  VAL  81          HG23      VAL  81  -4.516  17.255   6.614
  596    H    GLY  82           H        GLY  82  -0.577  18.958   3.998
  597    HA2  GLY  82           HA2      GLY  82   0.204  17.636   1.642
  598    HA3  GLY  82           HA3      GLY  82   1.159  18.852   2.507
  599    H    ALA  83           H        ALA  83   1.975  17.744   4.800
  600    HA   ALA  83           HA       ALA  83   3.997  15.913   4.060
  601    HB1  ALA  83           HB1      ALA  83   4.407  15.751   6.502
  602    HB2  ALA  83           HB2      ALA  83   4.181  17.435   5.984
  603    HB3  ALA  83           HB3      ALA  83   2.867  16.572   6.818
  604    H    LEU  84           H        LEU  84   0.781  15.338   5.549
  605    HA   LEU  84           HA       LEU  84   1.197  12.576   6.076
  606    HB2  LEU  84           HB2      LEU  84  -0.583  13.966   7.065
  607    HB3  LEU  84           HB3      LEU  84  -1.388  14.099   5.515
  608    HG   LEU  84           HG       LEU  84  -2.394  12.521   7.155
  609   HD11  LEU  84          HD11      LEU  84  -3.057  10.828   5.639
  610   HD12  LEU  84          HD12      LEU  84  -2.828  12.306   4.695
  611   HD13  LEU  84          HD13      LEU  84  -1.612  11.006   4.643
  612   HD21  LEU  84          HD21      LEU  84  -0.027  10.694   6.582
  613   HD22  LEU  84          HD22      LEU  84  -0.307  11.583   8.097
  614   HD23  LEU  84          HD23      LEU  84  -1.448  10.333   7.579
  615    H    LEU  85           H        LEU  85  -0.504  14.159   3.290
  616    HA   LEU  85           HA       LEU  85  -0.803  11.538   2.050
  617    HB2  LEU  85           HB2      LEU  85  -2.585  13.258   2.130
  618    HB3  LEU  85           HB3      LEU  85  -1.641  14.312   1.105
  619    HG   LEU  85           HG       LEU  85  -3.499  13.140  -0.017
  620   HD11  LEU  85          HD11      LEU  85  -2.458  12.597  -2.060
  621   HD12  LEU  85          HD12      LEU  85  -1.490  13.880  -1.336
  622   HD13  LEU  85          HD13      LEU  85  -0.912  12.195  -1.295
  623   HD21  LEU  85          HD21      LEU  85  -1.912  10.563   0.322
  624   HD22  LEU  85          HD22      LEU  85  -3.380  10.998   1.225
  625   HD23  LEU  85          HD23      LEU  85  -3.457  10.777  -0.528
  626    H    TYR  86           H        TYR  86   0.665  14.663   0.896
  627    HA   TYR  86           HA       TYR  86   1.801  13.329  -1.423
  628    HB2  TYR  86           HB2      TYR  86   1.128  15.676  -1.532
  629    HB3  TYR  86           HB3      TYR  86   2.255  16.105  -0.247
  630    HD1  TYR  86           HD2      TYR  86   2.017  14.828  -3.741
  631    HD2  TYR  86           HD1      TYR  86   4.584  16.532  -0.720
  632    HE1  TYR  86           HE2      TYR  86   3.812  15.086  -5.420
  633    HE2  TYR  86           HE1      TYR  86   6.396  16.781  -2.395
  634    HH   TYR  86           HH       TYR  86   5.991  15.684  -5.802
  635    H    GLY  87           H        GLY  87   2.987  14.413   1.763
  636    HA2  GLY  87           HA2      GLY  87   5.739  13.633   1.291
  637    HA3  GLY  87           HA3      GLY  87   4.994  14.081   2.830
  638    H    GLU  88           H        GLU  88   2.954  11.713   1.727
  639    HA   GLU  88           HA       GLU  88   2.501   9.663   2.495
  640    HB2  GLU  88           HB2      GLU  88   5.318   9.198   1.454
  641    HB3  GLU  88           HB3      GLU  88   4.187   7.908   1.878
  642    HG2  GLU  88           HG2      GLU  88   2.614   8.590   0.180
  643    HG3  GLU  88           HG3      GLU  88   3.538  10.049  -0.186
  644    H    GLU  89           H        GLU  89   2.904  11.254   4.526
  645    HA   GLU  89           HA       GLU  89   3.168  11.415   6.702
  646    HB2  GLU  89           HB2      GLU  89   2.298   8.972   6.430
  647    HB3  GLU  89           HB3      GLU  89   3.910   8.501   6.973
  648    HG2  GLU  89           HG2      GLU  89   3.538   9.856   9.064
  649    HG3  GLU  89           HG3      GLU  89   1.944  10.300   8.463
  650    H    LYS  90           H        LYS  90   5.708  11.162   4.789
  651    HA   LYS  90           HA       LYS  90   7.936  11.349   4.875
  652    HB2  LYS  90           HB2      LYS  90   7.237  13.235   7.151
  653    HB3  LYS  90           HB3      LYS  90   8.770  13.192   6.270
  654    HG2  LYS  90           HG2      LYS  90   7.548  13.709   4.144
  655    HG3  LYS  90           HG3      LYS  90   6.038  13.799   5.053
  656    HD2  LYS  90           HD2      LYS  90   6.835  16.043   4.679
  657    HD3  LYS  90           HD3      LYS  90   6.911  15.666   6.395
  658    HE2  LYS  90           HE2      LYS  90   8.882  16.901   5.809
  659    HE3  LYS  90           HE3      LYS  90   9.361  15.254   6.209
  660    HZ1  LYS  90           HZ1      LYS  90   9.536  14.805   3.819
  661    HZ2  LYS  90           HZ2      LYS  90   9.065  16.333   3.459
  662    HZ3  LYS  90           HZ3      LYS  90  10.475  16.071   4.226
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   1.132   2.431   2.369
    2    H2   MET   1           H2       MET   1   1.930   3.340   3.481
    3    H3   MET   1           H3       MET   1   0.389   3.708   3.065
    4    HA   MET   1           HA       MET   1   1.874   5.249   2.036
    5    HB2  MET   1           HB2      MET   1   3.835   3.710   1.964
    6    HB3  MET   1           HB3      MET   1   3.065   2.793   0.668
    7    HG2  MET   1           HG2      MET   1   4.744   4.363  -0.193
    8    HG3  MET   1           HG3      MET   1   3.144   4.721  -0.815
    9    HE1  MET   1           HE1      MET   1   5.537   7.320   2.199
   10    HE2  MET   1           HE2      MET   1   4.957   5.706   2.659
   11    HE3  MET   1           HE3      MET   1   6.156   5.884   1.355
   12    H    CYS   2           H        CYS   2   0.953   6.311   0.288
   13    HA   CYS   2           HA       CYS   2  -0.444   4.874  -1.816
   14    HB2  CYS   2           HB2      CYS   2  -2.588   6.127  -1.414
   15    HB3  CYS   2           HB3      CYS   2  -2.237   4.920  -0.178
   16    HG   CYS   2           HG       CYS   2  -3.346   7.008   0.928
   17    H    ILE   3           H        ILE   3  -1.448   6.673  -3.324
   18    HA   ILE   3           HA       ILE   3  -0.155   9.257  -3.224
   19    HB   ILE   3           HB       ILE   3   1.642   7.975  -4.222
   20   HG12  ILE   3          HG12      ILE   3   0.285   9.496  -6.479
   21   HG13  ILE   3          HG13      ILE   3   1.030  10.285  -5.083
   22   HG21  ILE   3          HG21      ILE   3   0.364   6.026  -5.091
   23   HG22  ILE   3          HG22      ILE   3  -0.287   7.056  -6.392
   24   HG23  ILE   3          HG23      ILE   3   1.450   6.691  -6.296
   25   HD11  ILE   3          HD11      ILE   3   2.511   8.497  -7.054
   26   HD12  ILE   3          HD12      ILE   3   2.527  10.262  -7.002
   27   HD13  ILE   3          HD13      ILE   3   3.215   9.333  -5.653
   28    H    GLY   4           H        GLY   4  -1.248  10.728  -4.613
   29    HA2  GLY   4           HA2      GLY   4  -3.502   9.942  -6.270
   30    HA3  GLY   4           HA3      GLY   4  -3.952  10.615  -4.696
   31    H    VAL   5           H        VAL   5  -1.476  11.344  -7.273
   32    HA   VAL   5           HA       VAL   5  -2.130  14.228  -7.057
   33    HB   VAL   5           HB       VAL   5   0.693  13.114  -6.771
   34   HG11  VAL   5          HG11      VAL   5  -0.361  15.951  -6.371
   35   HG12  VAL   5          HG12      VAL   5   1.310  15.411  -6.120
   36   HG13  VAL   5          HG13      VAL   5   0.630  15.396  -7.739
   37   HG21  VAL   5          HG21      VAL   5   0.627  13.958  -4.418
   38   HG22  VAL   5          HG22      VAL   5  -1.119  14.239  -4.592
   39   HG23  VAL   5          HG23      VAL   5  -0.444  12.594  -4.681
   40    HA   PRO   6           HA       PRO   6  -1.394  13.888 -11.520
   41    HB2  PRO   6           HB2      PRO   6  -0.429  16.727 -11.241
   42    HB3  PRO   6           HB3      PRO   6  -1.566  16.038 -12.439
   43    HG2  PRO   6           HG2      PRO   6  -2.486  17.497 -10.330
   44    HG3  PRO   6           HG3      PRO   6  -3.341  16.021 -10.855
   45    HD2  PRO   6           HD2      PRO   6  -1.416  16.354  -8.556
   46    HD3  PRO   6           HD3      PRO   6  -2.968  15.464  -8.616
   47    H    GLY   7           H        GLY   7   0.457  13.716 -12.954
   48    HA2  GLY   7           HA2      GLY   7   3.008  14.896 -12.272
   49    HA3  GLY   7           HA3      GLY   7   3.005  13.133 -12.093
   50    H    GLN   8           H        GLN   8   4.679  14.113 -13.988
   51    HA   GLN   8           HA       GLN   8   3.249  13.910 -16.610
   52    HB2  GLN   8           HB2      GLN   8   4.228  16.127 -16.041
   53    HB3  GLN   8           HB3      GLN   8   5.830  15.390 -15.963
   54    HG2  GLN   8           HG2      GLN   8   5.766  14.846 -18.335
   55    HG3  GLN   8           HG3      GLN   8   4.042  15.220 -18.416
   56   HE21  GLN   8          HE22      GLN   8   4.262  16.771 -20.073
   57   HE22  GLN   8          HE21      GLN   8   4.736  18.403 -19.658
   58    H    ILE   9           H        ILE   9   3.782  12.211 -17.874
   59    HA   ILE   9           HA       ILE   9   5.578  10.170 -16.914
   60    HB   ILE   9           HB       ILE   9   4.312  10.561 -19.661
   61   HG12  ILE   9          HG12      ILE   9   3.354   8.719 -17.422
   62   HG13  ILE   9          HG13      ILE   9   2.670  10.318 -17.700
   63   HG21  ILE   9          HG21      ILE   9   5.623   8.123 -18.351
   64   HG22  ILE   9          HG22      ILE   9   4.766   8.096 -19.899
   65   HG23  ILE   9          HG23      ILE   9   6.248   9.019 -19.750
   66   HD11  ILE   9          HD11      ILE   9   1.287   8.582 -18.699
   67   HD12  ILE   9          HD12      ILE   9   1.940   9.666 -19.938
   68   HD13  ILE   9          HD13      ILE   9   2.615   8.032 -19.708
   69    H    ARG  10           H        ARG  10   7.747   9.993 -17.244
   70    HA   ARG  10           HA       ARG  10   9.006  11.975 -19.098
   71    HB2  ARG  10           HB2      ARG  10   9.449  12.468 -16.763
   72    HB3  ARG  10           HB3      ARG  10   9.976  10.814 -16.461
   73    HG2  ARG  10           HG2      ARG  10  11.885  12.348 -16.610
   74    HG3  ARG  10           HG3      ARG  10  11.953  11.126 -17.872
   75    HD2  ARG  10           HD2      ARG  10  10.939  12.871 -19.469
   76    HD3  ARG  10           HD3      ARG  10  11.116  14.041 -18.166
   77    HE   ARG  10           HE       ARG  10  13.400  14.079 -18.473
   78   HH11  ARG  10          HH11      ARG  10  12.063  11.408 -20.453
   79   HH12  ARG  10          HH12      ARG  10  13.492  11.257 -21.411
   80   HH21  ARG  10          HH21      ARG  10  15.294  13.804 -19.729
   81   HH22  ARG  10          HH22      ARG  10  15.367  12.612 -20.969
   82    H    THR  11           H        THR  11   9.006   8.526 -18.107
   83    HA   THR  11           HA       THR  11  10.150   7.887 -20.708
   84    HB   THR  11           HB       THR  11  11.699   6.170 -19.520
   85    HG1  THR  11           HG1      THR  11  11.503   8.157 -17.502
   86   HG21  THR  11          HG21      THR  11  12.634   9.054 -19.361
   87   HG22  THR  11          HG22      THR  11  13.613   7.590 -19.544
   88   HG23  THR  11          HG23      THR  11  12.552   8.104 -20.865
   89    H    ILE  12           H        ILE  12   9.769   5.569 -21.189
   90    HA   ILE  12           HA       ILE  12   7.751   4.235 -19.483
   91    HB   ILE  12           HB       ILE  12   7.529   4.747 -22.480
   92   HG12  ILE  12          HG12      ILE  12   5.860   5.728 -20.123
   93   HG13  ILE  12          HG13      ILE  12   6.854   6.705 -21.194
   94   HG21  ILE  12          HG21      ILE  12   5.654   3.135 -20.685
   95   HG22  ILE  12          HG22      ILE  12   5.446   3.467 -22.422
   96   HG23  ILE  12          HG23      ILE  12   6.762   2.453 -21.900
   97   HD11  ILE  12          HD11      ILE  12   4.240   5.333 -21.868
   98   HD12  ILE  12          HD12      ILE  12   4.605   7.059 -21.856
   99   HD13  ILE  12          HD13      ILE  12   5.327   6.032 -23.097
  100    H    ASP  13           H        ASP  13   7.998   1.993 -19.524
  101    HA   ASP  13           HA       ASP  13  10.390   0.924 -20.986
  102    HB2  ASP  13           HB2      ASP  13  10.805   1.253 -18.591
  103    HB3  ASP  13           HB3      ASP  13   9.364   0.316 -18.192
  104    H    GLY  14           H        GLY  14   6.985   0.544 -20.282
  105    HA2  GLY  14           HA2      GLY  14   6.373  -1.312 -22.234
  106    HA3  GLY  14           HA3      GLY  14   6.741  -2.276 -20.782
  107    H    ASN  15           H        ASN  15   4.820  -2.768 -19.786
  108    HA   ASN  15           HA       ASN  15   2.506  -1.052 -19.716
  109    HB2  ASN  15           HB2      ASN  15   1.649  -2.540 -18.035
  110    HB3  ASN  15           HB3      ASN  15   2.382  -3.508 -19.306
  111   HD21  ASN  15          HD22      ASN  15   2.347  -2.831 -15.855
  112   HD22  ASN  15          HD21      ASN  15   3.680  -3.897 -15.476
  113    H    GLN  16           H        GLN  16   5.538  -0.671 -18.206
  114    HA   GLN  16           HA       GLN  16   4.364   1.046 -16.087
  115    HB2  GLN  16           HB2      GLN  16   6.865  -0.691 -15.964
  116    HB3  GLN  16           HB3      GLN  16   6.469   0.574 -14.809
  117    HG2  GLN  16           HG2      GLN  16   4.106  -0.914 -14.857
  118    HG3  GLN  16           HG3      GLN  16   5.345  -2.153 -15.085
  119   HE21  GLN  16          HE22      GLN  16   4.722   0.788 -13.114
  120   HE22  GLN  16          HE21      GLN  16   5.502   0.216 -11.660
  121    H    ALA  17           H        ALA  17   5.692   2.803 -15.436
  122    HA   ALA  17           HA       ALA  17   7.507   3.971 -17.428
  123    HB1  ALA  17           HB1      ALA  17   5.971   5.934 -17.674
  124    HB2  ALA  17           HB2      ALA  17   5.223   4.442 -18.275
  125    HB3  ALA  17           HB3      ALA  17   4.754   5.103 -16.690
  126    H    LYS  18           H        LYS  18   8.120   6.214 -16.646
  127    HA   LYS  18           HA       LYS  18   8.156   6.373 -13.651
  128    HB2  LYS  18           HB2      LYS  18  10.281   7.117 -15.691
  129    HB3  LYS  18           HB3      LYS  18  10.189   7.897 -14.126
  130    HG2  LYS  18           HG2      LYS  18  11.843   6.178 -14.024
  131    HG3  LYS  18           HG3      LYS  18  10.508   5.808 -12.947
  132    HD2  LYS  18           HD2      LYS  18  11.388   3.807 -14.057
  133    HD3  LYS  18           HD3      LYS  18   9.696   4.064 -14.407
  134    HE2  LYS  18           HE2      LYS  18  10.896   3.281 -16.380
  135    HE3  LYS  18           HE3      LYS  18  10.241   4.897 -16.669
  136    HZ1  LYS  18           HZ1      LYS  18  12.607   4.441 -17.387
  137    HZ2  LYS  18           HZ2      LYS  18  12.349   5.823 -16.586
  138    HZ3  LYS  18           HZ3      LYS  18  13.047   4.527 -15.819
  139    H    VAL  19           H        VAL  19   7.169   8.155 -12.901
  140    HA   VAL  19           HA       VAL  19   6.392  10.294 -14.841
  141    HB   VAL  19           HB       VAL  19   4.803   9.080 -12.538
  142   HG11  VAL  19          HG11      VAL  19   3.899  11.054 -14.668
  143   HG12  VAL  19          HG12      VAL  19   2.921  10.399 -13.352
  144   HG13  VAL  19          HG13      VAL  19   4.277  11.471 -12.977
  145   HG21  VAL  19          HG21      VAL  19   4.890   7.470 -14.383
  146   HG22  VAL  19          HG22      VAL  19   3.289   8.217 -14.360
  147   HG23  VAL  19          HG23      VAL  19   4.501   8.735 -15.550
  148    H    ASP  20           H        ASP  20   7.100  12.284 -14.214
  149    HA   ASP  20           HA       ASP  20   8.414  12.651 -11.606
  150    HB2  ASP  20           HB2      ASP  20   9.405  13.853 -13.431
  151    HB3  ASP  20           HB3      ASP  20   7.838  14.489 -13.952
  152    H    VAL  21           H        VAL  21   7.154  12.822  -9.873
  153    HA   VAL  21           HA       VAL  21   4.441  14.001 -10.077
  154    HB   VAL  21           HB       VAL  21   5.759  12.557  -7.745
  155   HG11  VAL  21          HG11      VAL  21   3.472  12.373  -6.864
  156   HG12  VAL  21          HG12      VAL  21   3.845  14.075  -7.113
  157   HG13  VAL  21          HG13      VAL  21   2.819  13.225  -8.282
  158   HG21  VAL  21          HG21      VAL  21   5.475  11.001  -9.650
  159   HG22  VAL  21          HG22      VAL  21   4.297  10.646  -8.398
  160   HG23  VAL  21          HG23      VAL  21   3.795  11.531  -9.854
  161    H    CYS  22           H        CYS  22   5.823  15.870 -10.768
  162    HA   CYS  22           HA       CYS  22   6.700  17.919 -10.483
  163    HB2  CYS  22           HB2      CYS  22   4.742  17.939  -8.156
  164    HB3  CYS  22           HB3      CYS  22   5.326  19.346  -9.060
  165    HG   CYS  22           HG       CYS  22   2.855  18.801  -9.747
  166    H    GLY  23           H        GLY  23   8.606  16.206  -9.409
  167    HA2  GLY  23           HA2      GLY  23  10.274  17.922  -8.110
  168    HA3  GLY  23           HA3      GLY  23   9.427  17.149  -6.760
  169    H    ILE  24           H        ILE  24   9.159  14.525  -8.219
  170    HA   ILE  24           HA       ILE  24  11.866  13.648  -8.717
  171    HB   ILE  24           HB       ILE  24  11.715  13.666  -6.211
  172   HG12  ILE  24          HG12      ILE  24  11.984  10.865  -7.368
  173   HG13  ILE  24          HG13      ILE  24  13.208  12.134  -7.490
  174   HG21  ILE  24          HG21      ILE  24   9.278  13.112  -6.023
  175   HG22  ILE  24          HG22      ILE  24   9.658  11.457  -6.541
  176   HG23  ILE  24          HG23      ILE  24  10.300  12.090  -5.010
  177   HD11  ILE  24          HD11      ILE  24  13.323  12.216  -4.988
  178   HD12  ILE  24          HD12      ILE  24  12.206  10.829  -4.927
  179   HD13  ILE  24          HD13      ILE  24  13.796  10.653  -5.683
  180    H    GLN  25           H        GLN  25  11.866  11.520  -9.634
  181    HA   GLN  25           HA       GLN  25   9.441  10.866 -11.131
  182    HB2  GLN  25           HB2      GLN  25  12.192   9.564 -10.970
  183    HB3  GLN  25           HB3      GLN  25  10.874   8.997 -12.003
  184    HG2  GLN  25           HG2      GLN  25  10.831  11.170 -13.189
  185    HG3  GLN  25           HG3      GLN  25  12.140  11.771 -12.170
  186   HE21  GLN  25          HE22      GLN  25  11.373   9.858 -14.993
  187   HE22  GLN  25          HE21      GLN  25  13.013   9.388 -15.372
  188    H    ARG  26           H        ARG  26   8.024   9.274 -10.641
  189    HA   ARG  26           HA       ARG  26   8.733   7.278  -8.532
  190    HB2  ARG  26           HB2      ARG  26   5.946   8.355  -9.132
  191    HB3  ARG  26           HB3      ARG  26   6.370   7.159  -7.919
  192    HG2  ARG  26           HG2      ARG  26   6.973  10.133  -7.890
  193    HG3  ARG  26           HG3      ARG  26   5.910   9.229  -6.821
  194    HD2  ARG  26           HD2      ARG  26   8.928   9.311  -6.850
  195    HD3  ARG  26           HD3      ARG  26   7.841   9.790  -5.572
  196    HE   ARG  26           HE       ARG  26   7.272   7.432  -5.213
  197   HH11  ARG  26          HH11      ARG  26  10.305   8.032  -7.026
  198   HH12  ARG  26          HH12      ARG  26  11.097   6.643  -6.375
  199   HH21  ARG  26          HH21      ARG  26   8.323   5.545  -4.462
  200   HH22  ARG  26          HH22      ARG  26   9.929   5.174  -4.952
  201    H    ASP  27           H        ASP  27   8.033   5.168  -8.955
  202    HA   ASP  27           HA       ASP  27   7.784   4.384 -11.761
  203    HB2  ASP  27           HB2      ASP  27   9.045   2.998 -10.199
  204    HB3  ASP  27           HB3      ASP  27   7.666   2.893  -9.104
  205    H    VAL  28           H        VAL  28   5.861   3.913 -12.813
  206    HA   VAL  28           HA       VAL  28   3.338   3.752 -11.278
  207    HB   VAL  28           HB       VAL  28   3.868   5.637 -13.608
  208   HG11  VAL  28          HG11      VAL  28   1.569   4.876 -13.774
  209   HG12  VAL  28          HG12      VAL  28   1.299   5.179 -12.039
  210   HG13  VAL  28          HG13      VAL  28   1.570   6.520 -13.171
  211   HG21  VAL  28          HG21      VAL  28   3.246   7.432 -11.910
  212   HG22  VAL  28          HG22      VAL  28   3.341   6.187 -10.652
  213   HG23  VAL  28          HG23      VAL  28   4.780   6.634 -11.592
  214    H    ASP  29           H        ASP  29   1.630   2.713 -12.568
  215    HA   ASP  29           HA       ASP  29   2.581   1.106 -14.909
  216    HB2  ASP  29           HB2      ASP  29   2.033  -0.283 -12.982
  217    HB3  ASP  29           HB3      ASP  29   0.465   0.509 -12.822
  218    H    LEU  30           H        LEU  30   1.274   1.111 -16.744
  219    HA   LEU  30           HA       LEU  30  -0.631   3.410 -16.878
  220    HB2  LEU  30           HB2      LEU  30   1.187   2.267 -19.033
  221    HB3  LEU  30           HB3      LEU  30   0.091   3.626 -19.220
  222    HG   LEU  30           HG       LEU  30   2.621   3.551 -17.539
  223   HD11  LEU  30          HD11      LEU  30   1.776   5.162 -19.993
  224   HD12  LEU  30          HD12      LEU  30   3.291   5.381 -19.110
  225   HD13  LEU  30          HD13      LEU  30   2.980   3.848 -19.941
  226   HD21  LEU  30          HD21      LEU  30   0.559   5.787 -17.771
  227   HD22  LEU  30          HD22      LEU  30   1.014   4.897 -16.295
  228   HD23  LEU  30          HD23      LEU  30   2.183   5.963 -17.068
  229    H    THR  31           H        THR  31  -1.020   0.160 -16.617
  230    HA   THR  31           HA       THR  31  -2.180  -0.631 -19.058
  231    HB   THR  31           HB       THR  31  -3.388  -2.349 -17.637
  232    HG1  THR  31           HG1      THR  31  -1.847  -1.189 -15.549
  233   HG21  THR  31          HG21      THR  31  -0.393  -2.044 -17.200
  234   HG22  THR  31          HG22      THR  31  -1.332  -3.538 -16.988
  235   HG23  THR  31          HG23      THR  31  -1.181  -2.806 -18.596
  236    H    LEU  32           H        LEU  32  -3.631   1.315 -16.497
  237    HA   LEU  32           HA       LEU  32  -6.362   0.964 -17.320
  238    HB2  LEU  32           HB2      LEU  32  -5.085   3.269 -15.822
  239    HB3  LEU  32           HB3      LEU  32  -6.806   2.935 -15.909
  240    HG   LEU  32           HG       LEU  32  -4.704   1.218 -14.523
  241   HD11  LEU  32          HD11      LEU  32  -5.831   1.915 -12.465
  242   HD12  LEU  32          HD12      LEU  32  -5.271   3.329 -13.370
  243   HD13  LEU  32          HD13      LEU  32  -6.990   2.887 -13.398
  244   HD21  LEU  32          HD21      LEU  32  -6.450  -0.261 -15.397
  245   HD22  LEU  32          HD22      LEU  32  -6.634  -0.095 -13.651
  246   HD23  LEU  32          HD23      LEU  32  -7.720   0.798 -14.740
  247    H    VAL  33           H        VAL  33  -3.786   2.797 -18.763
  248    HA   VAL  33           HA       VAL  33  -5.736   4.383 -20.377
  249    HB   VAL  33           HB       VAL  33  -4.072   6.217 -20.336
  250   HG11  VAL  33          HG11      VAL  33  -5.104   5.413 -17.582
  251   HG12  VAL  33          HG12      VAL  33  -4.613   7.035 -18.080
  252   HG13  VAL  33          HG13      VAL  33  -6.023   6.267 -18.836
  253   HG21  VAL  33          HG21      VAL  33  -2.707   4.710 -18.060
  254   HG22  VAL  33          HG22      VAL  33  -2.033   4.922 -19.692
  255   HG23  VAL  33          HG23      VAL  33  -2.314   6.330 -18.664
  256    H    GLY  34           H        GLY  34  -3.097   2.189 -20.416
  257    HA2  GLY  34           HA2      GLY  34  -2.097   1.123 -22.201
  258    HA3  GLY  34           HA3      GLY  34  -2.823   2.266 -23.346
  259    H    SER  35           H        SER  35   0.098   1.364 -22.705
  260    HA   SER  35           HA       SER  35   1.425   3.683 -21.722
  261    HB2  SER  35           HB2      SER  35   2.557   1.415 -23.403
  262    HB3  SER  35           HB3      SER  35   3.446   2.513 -22.330
  263    HG   SER  35           HG       SER  35   3.127   0.777 -21.129
  264    H    CYS  36           H        CYS  36  -0.058   3.232 -24.748
  265    HA   CYS  36           HA       CYS  36   1.602   5.387 -25.952
  266    HB2  CYS  36           HB2      CYS  36   0.261   3.050 -27.373
  267    HB3  CYS  36           HB3      CYS  36   1.028   4.436 -28.165
  268    HG   CYS  36           HG       CYS  36   2.596   2.331 -28.322
  269    H    ASP  37           H        ASP  37   0.524   6.940 -27.031
  270    HA   ASP  37           HA       ASP  37  -2.200   7.590 -26.254
  271    HB2  ASP  37           HB2      ASP  37  -0.349   9.259 -26.537
  272    HB3  ASP  37           HB3      ASP  37  -0.283   8.866 -28.259
  273    H    GLU  38           H        GLU  38  -3.900   7.963 -27.847
  274    HA   GLU  38           HA       GLU  38  -4.526   5.882 -29.580
  275    HB2  GLU  38           HB2      GLU  38  -6.004   7.669 -28.561
  276    HB3  GLU  38           HB3      GLU  38  -5.370   8.802 -29.769
  277    HG2  GLU  38           HG2      GLU  38  -6.314   7.419 -31.584
  278    HG3  GLU  38           HG3      GLU  38  -6.832   6.199 -30.418
  279    H    ASN  39           H        ASN  39  -2.715   8.886 -30.220
  280    HA   ASN  39           HA       ASN  39  -2.793   8.685 -33.093
  281    HB2  ASN  39           HB2      ASN  39  -1.022  10.278 -31.194
  282    HB3  ASN  39           HB3      ASN  39  -0.910  10.385 -32.948
  283   HD21  ASN  39          HD22      ASN  39  -2.985  11.117 -30.172
  284   HD22  ASN  39          HD21      ASN  39  -4.052  12.211 -31.048
  285    H    GLY  40           H        GLY  40  -1.090   6.728 -30.861
  286    HA2  GLY  40           HA2      GLY  40   0.013   4.835 -31.567
  287    HA3  GLY  40           HA3      GLY  40   0.397   5.577 -33.121
  288    H    GLN  41           H        GLN  41   1.152   7.185 -30.018
  289    HA   GLN  41           HA       GLN  41   4.052   6.584 -30.385
  290    HB2  GLN  41           HB2      GLN  41   2.723   9.271 -29.811
  291    HB3  GLN  41           HB3      GLN  41   4.406   8.937 -29.455
  292    HG2  GLN  41           HG2      GLN  41   4.304  10.137 -31.513
  293    HG3  GLN  41           HG3      GLN  41   4.895   8.506 -31.820
  294   HE21  GLN  41          HE22      GLN  41   1.550   9.989 -31.565
  295   HE22  GLN  41          HE21      GLN  41   0.993   9.242 -33.055
  296    HA   PRO  42           HA       PRO  42   3.799   5.543 -25.988
  297    HB2  PRO  42           HB2      PRO  42   6.407   7.035 -25.778
  298    HB3  PRO  42           HB3      PRO  42   5.978   5.414 -25.149
  299    HG2  PRO  42           HG2      PRO  42   7.492   5.656 -27.377
  300    HG3  PRO  42           HG3      PRO  42   6.194   4.420 -27.283
  301    HD2  PRO  42           HD2      PRO  42   6.119   7.120 -28.644
  302    HD3  PRO  42           HD3      PRO  42   5.520   5.533 -29.222
  303    H    ARG  43           H        ARG  43   3.052   6.639 -24.110
  304    HA   ARG  43           HA       ARG  43   2.119   9.316 -24.485
  305    HB2  ARG  43           HB2      ARG  43   2.091   7.503 -22.033
  306    HB3  ARG  43           HB3      ARG  43   1.264   9.059 -22.141
  307    HG2  ARG  43           HG2      ARG  43   0.029   8.156 -24.181
  308    HG3  ARG  43           HG3      ARG  43   0.631   6.560 -23.711
  309    HD2  ARG  43           HD2      ARG  43  -0.374   6.824 -21.467
  310    HD3  ARG  43           HD3      ARG  43  -0.966   8.431 -21.894
  311    HE   ARG  43           HE       ARG  43  -2.036   5.831 -22.648
  312   HH11  ARG  43          HH11      ARG  43  -1.956   9.265 -23.634
  313   HH12  ARG  43          HH12      ARG  43  -3.465   9.202 -24.469
  314   HH21  ARG  43          HH21      ARG  43  -4.096   5.794 -23.575
  315   HH22  ARG  43          HH22      ARG  43  -4.746   7.165 -24.420
  316    H    VAL  44           H        VAL  44   5.174   9.151 -24.352
  317    HA   VAL  44           HA       VAL  44   6.032  10.227 -21.832
  318    HB   VAL  44           HB       VAL  44   8.050  10.906 -23.153
  319   HG11  VAL  44          HG11      VAL  44   7.906   8.757 -21.969
  320   HG12  VAL  44          HG12      VAL  44   7.202   7.990 -23.412
  321   HG13  VAL  44          HG13      VAL  44   8.865   8.610 -23.447
  322   HG21  VAL  44          HG21      VAL  44   8.409  10.063 -25.408
  323   HG22  VAL  44          HG22      VAL  44   6.759   9.430 -25.492
  324   HG23  VAL  44          HG23      VAL  44   7.043  11.181 -25.410
  325    H    GLY  45           H        GLY  45   6.138  12.309 -21.104
  326    HA2  GLY  45           HA2      GLY  45   6.007  14.593 -21.129
  327    HA3  GLY  45           HA3      GLY  45   5.582  14.584 -22.844
  328    H    GLN  46           H        GLN  46   3.340  12.414 -21.825
  329    HA   GLN  46           HA       GLN  46   1.287  14.485 -21.550
  330    HB2  GLN  46           HB2      GLN  46   1.065  11.445 -21.408
  331    HB3  GLN  46           HB3      GLN  46  -0.278  12.595 -21.433
  332    HG2  GLN  46           HG2      GLN  46   0.564  13.482 -23.619
  333    HG3  GLN  46           HG3      GLN  46   1.766  12.192 -23.665
  334   HE21  GLN  46          HE22      GLN  46  -0.239  12.618 -25.675
  335   HE22  GLN  46          HE21      GLN  46  -1.365  11.269 -25.647
  336    H    TRP  47           H        TRP  47  -0.142  14.651 -19.709
  337    HA   TRP  47           HA       TRP  47   1.204  14.013 -17.140
  338    HB2  TRP  47           HB2      TRP  47  -0.986  15.978 -17.862
  339    HB3  TRP  47           HB3      TRP  47  -0.578  15.543 -16.212
  340    HD1  TRP  47           HD1      TRP  47   1.085  17.153 -19.282
  341    HE1  TRP  47           HE1      TRP  47   2.830  18.862 -18.509
  342    HE3  TRP  47           HE3      TRP  47   0.929  16.173 -14.282
  343    HZ2  TRP  47           HZ2      TRP  47   3.979  19.729 -15.972
  344    HZ3  TRP  47           HZ3      TRP  47   2.393  17.400 -12.711
  345    HH2  TRP  47           HH2      TRP  47   3.910  19.191 -13.535
  346    H    VAL  48           H        VAL  48   0.050  12.961 -15.518
  347    HA   VAL  48           HA       VAL  48  -2.514  11.678 -16.208
  348    HB   VAL  48           HB       VAL  48  -1.593   9.504 -15.360
  349   HG11  VAL  48          HG11      VAL  48  -1.915   9.946 -17.772
  350   HG12  VAL  48          HG12      VAL  48  -0.225  10.473 -17.902
  351   HG13  VAL  48          HG13      VAL  48  -0.613   8.798 -17.455
  352   HG21  VAL  48          HG21      VAL  48   0.819   9.053 -15.420
  353   HG22  VAL  48          HG22      VAL  48   1.162  10.755 -15.784
  354   HG23  VAL  48          HG23      VAL  48   0.458  10.301 -14.220
  355    H    LEU  49           H        LEU  49  -3.643  10.913 -14.356
  356    HA   LEU  49           HA       LEU  49  -2.883  12.229 -11.789
  357    HB2  LEU  49           HB2      LEU  49  -5.335  10.578 -12.584
  358    HB3  LEU  49           HB3      LEU  49  -5.009  11.203 -10.985
  359    HG   LEU  49           HG       LEU  49  -6.609  12.620 -11.878
  360   HD11  LEU  49          HD11      LEU  49  -4.754  13.829 -10.741
  361   HD12  LEU  49          HD12      LEU  49  -4.004  14.131 -12.330
  362   HD13  LEU  49          HD13      LEU  49  -5.594  14.814 -11.953
  363   HD21  LEU  49          HD21      LEU  49  -6.349  11.970 -14.257
  364   HD22  LEU  49          HD22      LEU  49  -6.573  13.705 -14.015
  365   HD23  LEU  49          HD23      LEU  49  -4.961  13.066 -14.393
  366    H    VAL  50           H        VAL  50  -1.274  11.063 -10.728
  367    HA   VAL  50           HA       VAL  50  -1.149   8.148 -11.086
  368    HB   VAL  50           HB       VAL  50   0.479   9.906  -9.195
  369   HG11  VAL  50          HG11      VAL  50   2.081   8.004  -9.351
  370   HG12  VAL  50          HG12      VAL  50   0.528   7.495  -8.678
  371   HG13  VAL  50          HG13      VAL  50   0.924   7.117 -10.367
  372   HG21  VAL  50          HG21      VAL  50   2.266   9.797 -10.933
  373   HG22  VAL  50          HG22      VAL  50   1.102   9.072 -12.065
  374   HG23  VAL  50          HG23      VAL  50   0.875  10.735 -11.474
  375    H    HIS  51           H        HIS  51  -2.448   6.856  -9.878
  376    HA   HIS  51           HA       HIS  51  -3.310   7.692  -7.151
  377    HB2  HIS  51           HB2      HIS  51  -5.020   6.582  -9.405
  378    HB3  HIS  51           HB3      HIS  51  -5.485   6.511  -7.716
  379    HD1  HIS  51           HD1      HIS  51  -3.952   9.845  -8.379
  380    HD2  HIS  51           HD2      HIS  51  -7.684   7.929  -8.699
  381    HE1  HIS  51           HE1      HIS  51  -5.713  11.699  -8.457
  382    H    VAL  52           H        VAL  52  -2.621   6.174  -5.787
  383    HA   VAL  52           HA       VAL  52  -1.652   4.299  -4.995
  384    HB   VAL  52           HB       VAL  52  -3.812   2.744  -6.438
  385   HG11  VAL  52          HG11      VAL  52  -3.991   1.586  -4.263
  386   HG12  VAL  52          HG12      VAL  52  -2.324   1.520  -4.829
  387   HG13  VAL  52          HG13      VAL  52  -2.774   2.671  -3.557
  388   HG21  VAL  52          HG21      VAL  52  -5.404   3.439  -4.634
  389   HG22  VAL  52          HG22      VAL  52  -4.249   4.689  -4.127
  390   HG23  VAL  52          HG23      VAL  52  -5.010   4.748  -5.735
  391    H    GLY  53           H        GLY  53  -0.335   5.146  -7.400
  392    HA2  GLY  53           HA2      GLY  53   1.574   4.336  -8.409
  393    HA3  GLY  53           HA3      GLY  53   1.135   2.686  -7.961
  394    H    PHE  54           H        PHE  54  -1.532   4.177  -9.558
  395    HA   PHE  54           HA       PHE  54  -0.649   3.132 -12.217
  396    HB2  PHE  54           HB2      PHE  54  -3.424   3.165 -10.965
  397    HB3  PHE  54           HB3      PHE  54  -3.061   2.732 -12.626
  398    HD1  PHE  54           HD2      PHE  54  -2.728   1.642  -9.092
  399    HD2  PHE  54           HD1      PHE  54  -2.174   0.569 -13.233
  400    HE1  PHE  54           HE2      PHE  54  -2.394  -0.729  -8.436
  401    HE2  PHE  54           HE1      PHE  54  -1.851  -1.797 -12.579
  402    HZ   PHE  54           HZ       PHE  54  -1.953  -2.456 -10.178
  403    H    ALA  55           H        ALA  55  -1.162   4.429 -13.999
  404    HA   ALA  55           HA       ALA  55  -1.863   7.256 -13.521
  405    HB1  ALA  55           HB1      ALA  55  -0.303   6.783 -15.322
  406    HB2  ALA  55           HB2      ALA  55  -1.408   5.579 -16.034
  407    HB3  ALA  55           HB3      ALA  55  -1.844   7.292 -16.054
  408    H    MET  56           H        MET  56  -3.987   7.487 -12.833
  409    HA   MET  56           HA       MET  56  -6.015   5.564 -13.416
  410    HB2  MET  56           HB2      MET  56  -5.896   7.075 -11.409
  411    HB3  MET  56           HB3      MET  56  -6.333   8.435 -12.433
  412    HG2  MET  56           HG2      MET  56  -8.267   7.563 -11.211
  413    HG3  MET  56           HG3      MET  56  -8.485   7.438 -12.949
  414    HE1  MET  56           HE1      MET  56  -6.308   4.869 -10.720
  415    HE2  MET  56           HE2      MET  56  -7.596   5.461  -9.641
  416    HE3  MET  56           HE3      MET  56  -7.603   3.775 -10.202
  417    H    SER  57           H        SER  57  -5.326   8.813 -14.747
  418    HA   SER  57           HA       SER  57  -6.730   8.249 -17.242
  419    HB2  SER  57           HB2      SER  57  -7.498  10.667 -15.548
  420    HB3  SER  57           HB3      SER  57  -8.169  10.203 -17.114
  421    HG   SER  57           HG       SER  57  -9.545   9.644 -15.384
  422    H    VAL  58           H        VAL  58  -6.307  10.151 -18.758
  423    HA   VAL  58           HA       VAL  58  -3.620  11.327 -18.243
  424    HB   VAL  58           HB       VAL  58  -4.916  10.798 -20.942
  425   HG11  VAL  58          HG11      VAL  58  -2.989  12.389 -20.878
  426   HG12  VAL  58          HG12      VAL  58  -1.985  11.110 -20.161
  427   HG13  VAL  58          HG13      VAL  58  -2.648  10.927 -21.799
  428   HG21  VAL  58          HG21      VAL  58  -3.118   8.886 -19.395
  429   HG22  VAL  58          HG22      VAL  58  -4.773   8.593 -19.983
  430   HG23  VAL  58          HG23      VAL  58  -3.457   8.775 -21.129
  431    H    ILE  59           H        ILE  59  -3.359  13.556 -18.684
  432    HA   ILE  59           HA       ILE  59  -5.726  15.142 -19.469
  433    HB   ILE  59           HB       ILE  59  -5.483  16.605 -17.537
  434   HG12  ILE  59          HG12      ILE  59  -3.503  14.569 -16.431
  435   HG13  ILE  59          HG13      ILE  59  -3.145  16.221 -16.955
  436   HG21  ILE  59          HG21      ILE  59  -6.696  15.287 -15.956
  437   HG22  ILE  59          HG22      ILE  59  -7.142  14.751 -17.572
  438   HG23  ILE  59          HG23      ILE  59  -6.019  13.774 -16.600
  439   HD11  ILE  59          HD11      ILE  59  -3.252  16.174 -14.553
  440   HD12  ILE  59          HD12      ILE  59  -4.651  17.091 -15.165
  441   HD13  ILE  59          HD13      ILE  59  -4.854  15.436 -14.568
  442    H    ASN  60           H        ASN  60  -5.150  17.462 -19.717
  443    HA   ASN  60           HA       ASN  60  -2.635  17.769 -21.211
  444    HB2  ASN  60           HB2      ASN  60  -4.935  19.688 -20.591
  445    HB3  ASN  60           HB3      ASN  60  -3.538  20.104 -21.573
  446   HD21  ASN  60          HD22      ASN  60  -6.446  18.058 -21.439
  447   HD22  ASN  60          HD21      ASN  60  -6.499  17.734 -23.170
  448    H    GLU  61           H        GLU  61  -1.234  19.725 -20.754
  449    HA   GLU  61           HA       GLU  61  -0.277  19.653 -18.086
  450    HB2  GLU  61           HB2      GLU  61   0.263  21.946 -20.007
  451    HB3  GLU  61           HB3      GLU  61   1.280  21.323 -18.711
  452    HG2  GLU  61           HG2      GLU  61   1.203  19.107 -20.254
  453    HG3  GLU  61           HG3      GLU  61   0.838  20.279 -21.500
  454    H    ALA  62           H        ALA  62  -2.625  21.811 -19.642
  455    HA   ALA  62           HA       ALA  62  -2.619  23.850 -17.572
  456    HB1  ALA  62           HB1      ALA  62  -4.754  23.099 -19.628
  457    HB2  ALA  62           HB2      ALA  62  -4.715  24.577 -18.647
  458    HB3  ALA  62           HB3      ALA  62  -3.453  24.293 -19.860
  459    H    GLU  63           H        GLU  63  -4.551  20.901 -18.213
  460    HA   GLU  63           HA       GLU  63  -6.367  21.217 -16.008
  461    HB2  GLU  63           HB2      GLU  63  -5.411  18.779 -17.552
  462    HB3  GLU  63           HB3      GLU  63  -6.732  18.747 -16.379
  463    HG2  GLU  63           HG2      GLU  63  -8.028  20.316 -17.759
  464    HG3  GLU  63           HG3      GLU  63  -6.702  20.431 -18.922
  465    H    ALA  64           H        ALA  64  -3.185  19.581 -16.417
  466    HA   ALA  64           HA       ALA  64  -3.093  18.419 -13.826
  467    HB1  ALA  64           HB1      ALA  64  -0.685  18.271 -14.206
  468    HB2  ALA  64           HB2      ALA  64  -1.567  17.794 -15.675
  469    HB3  ALA  64           HB3      ALA  64  -0.788  19.390 -15.579
  470    H    ARG  65           H        ARG  65  -1.801  21.586 -15.000
  471    HA   ARG  65           HA       ARG  65  -0.826  22.398 -12.436
  472    HB2  ARG  65           HB2      ARG  65  -1.628  23.937 -14.928
  473    HB3  ARG  65           HB3      ARG  65  -0.999  24.738 -13.481
  474    HG2  ARG  65           HG2      ARG  65   1.078  23.521 -13.563
  475    HG3  ARG  65           HG3      ARG  65   0.515  22.473 -14.866
  476    HD2  ARG  65           HD2      ARG  65   0.832  25.490 -15.119
  477    HD3  ARG  65           HD3      ARG  65   2.070  24.308 -15.588
  478    HE   ARG  65           HE       ARG  65  -0.187  23.444 -16.900
  479   HH11  ARG  65          HH11      ARG  65   1.718  26.444 -16.881
  480   HH12  ARG  65          HH12      ARG  65   1.336  26.885 -18.502
  481   HH21  ARG  65          HH21      ARG  65  -0.727  24.062 -19.103
  482   HH22  ARG  65          HH22      ARG  65  -0.068  25.498 -19.781
  483    H    ASP  66           H        ASP  66  -4.048  22.892 -13.974
  484    HA   ASP  66           HA       ASP  66  -5.133  24.471 -11.873
  485    HB2  ASP  66           HB2      ASP  66  -6.254  24.223 -14.023
  486    HB3  ASP  66           HB3      ASP  66  -6.481  22.494 -13.749
  487    H    THR  67           H        THR  67  -5.019  20.889 -12.291
  488    HA   THR  67           HA       THR  67  -6.462  20.317  -9.895
  489    HB   THR  67           HB       THR  67  -4.434  18.576 -11.362
  490    HG1  THR  67           HG1      THR  67  -5.964  19.232 -12.810
  491   HG21  THR  67          HG21      THR  67  -5.855  16.708 -10.511
  492   HG22  THR  67          HG22      THR  67  -5.099  17.612  -9.195
  493   HG23  THR  67          HG23      THR  67  -6.813  17.876  -9.574
  494    H    LEU  68           H        LEU  68  -2.950  20.702 -10.553
  495    HA   LEU  68           HA       LEU  68  -2.020  19.929  -7.977
  496    HB2  LEU  68           HB2      LEU  68  -0.895  21.749 -10.132
  497    HB3  LEU  68           HB3      LEU  68  -0.019  21.435  -8.644
  498    HG   LEU  68           HG       LEU  68  -0.943  19.166 -10.440
  499   HD11  LEU  68          HD11      LEU  68   0.476  20.660 -11.776
  500   HD12  LEU  68          HD12      LEU  68   1.733  20.613 -10.522
  501   HD13  LEU  68          HD13      LEU  68   1.289  19.143 -11.428
  502   HD21  LEU  68          HD21      LEU  68  -0.304  18.534  -8.131
  503   HD22  LEU  68          HD22      LEU  68   0.836  17.901  -9.317
  504   HD23  LEU  68          HD23      LEU  68   1.264  19.329  -8.344
  505    H    ASP  69           H        ASP  69  -3.204  23.097  -9.223
  506    HA   ASP  69           HA       ASP  69  -2.658  24.458  -6.711
  507    HB2  ASP  69           HB2      ASP  69  -3.028  25.719  -8.801
  508    HB3  ASP  69           HB3      ASP  69  -4.700  25.150  -8.858
  509    H    ALA  70           H        ALA  70  -5.580  22.868  -8.137
  510    HA   ALA  70           HA       ALA  70  -7.375  23.636  -6.155
  511    HB1  ALA  70           HB1      ALA  70  -8.027  22.680  -8.334
  512    HB2  ALA  70           HB2      ALA  70  -7.414  21.086  -7.826
  513    HB3  ALA  70           HB3      ALA  70  -8.800  21.815  -6.993
  514    H    LEU  71           H        LEU  71  -5.296  20.728  -6.252
  515    HA   LEU  71           HA       LEU  71  -6.418  19.594  -3.861
  516    HB2  LEU  71           HB2      LEU  71  -4.720  17.927  -3.975
  517    HB3  LEU  71           HB3      LEU  71  -5.372  18.253  -5.565
  518    HG   LEU  71           HG       LEU  71  -3.263  19.751  -5.915
  519   HD11  LEU  71          HD11      LEU  71  -1.236  18.919  -4.718
  520   HD12  LEU  71          HD12      LEU  71  -2.317  19.792  -3.648
  521   HD13  LEU  71          HD13      LEU  71  -2.284  18.018  -3.602
  522   HD21  LEU  71          HD21      LEU  71  -3.054  16.718  -5.716
  523   HD22  LEU  71          HD22      LEU  71  -3.692  17.647  -7.092
  524   HD23  LEU  71          HD23      LEU  71  -1.982  17.774  -6.664
  525    H    GLN  72           H        GLN  72  -4.379  22.291  -4.169
  526    HA   GLN  72           HA       GLN  72  -3.433  22.046  -1.346
  527    HB2  GLN  72           HB2      GLN  72  -1.669  22.102  -3.079
  528    HB3  GLN  72           HB3      GLN  72  -2.306  23.629  -3.697
  529    HG2  GLN  72           HG2      GLN  72  -1.727  24.766  -1.609
  530    HG3  GLN  72           HG3      GLN  72  -1.258  23.233  -0.862
  531   HE21  GLN  72          HE22      GLN  72  -0.364  25.652  -3.353
  532   HE22  GLN  72          HE21      GLN  72   1.295  25.137  -3.508
  533    H    ASN  73           H        ASN  73  -5.438  23.816  -3.576
  534    HA   ASN  73           HA       ASN  73  -5.391  26.369  -2.726
  535    HB2  ASN  73           HB2      ASN  73  -6.663  25.302  -4.660
  536    HB3  ASN  73           HB3      ASN  73  -7.958  24.932  -3.523
  537   HD21  ASN  73          HD22      ASN  73  -6.449  27.350  -5.517
  538   HD22  ASN  73          HD21      ASN  73  -7.466  28.701  -5.045
  539    H    MET  74           H        MET  74  -7.099  23.742  -1.057
  540    HA   MET  74           HA       MET  74  -8.741  25.277   0.654
  541    HB2  MET  74           HB2      MET  74  -7.404  22.579   1.127
  542    HB3  MET  74           HB3      MET  74  -8.671  23.276   2.145
  543    HG2  MET  74           HG2      MET  74 -10.218  23.330   0.210
  544    HG3  MET  74           HG3      MET  74  -8.963  22.636  -0.815
  545    HE1  MET  74           HE1      MET  74 -11.601  22.042   1.985
  546    HE2  MET  74           HE2      MET  74 -11.287  20.372   2.502
  547    HE3  MET  74           HE3      MET  74 -10.141  21.658   2.927
  548    H    PHE  75           H        PHE  75  -5.239  24.915   0.749
  549    HA   PHE  75           HA       PHE  75  -4.827  25.538   3.500
  550    HB2  PHE  75           HB2      PHE  75  -3.111  24.665   1.893
  551    HB3  PHE  75           HB3      PHE  75  -3.082  26.243   1.111
  552    HD1  PHE  75           HD2      PHE  75  -2.469  24.468   4.355
  553    HD2  PHE  75           HD1      PHE  75  -1.733  28.027   2.028
  554    HE1  PHE  75           HE2      PHE  75  -0.806  25.225   6.034
  555    HE2  PHE  75           HE1      PHE  75  -0.070  28.778   3.711
  556    HZ   PHE  75           HZ       PHE  75   0.397  27.380   5.714
  557    H    ASP  76           H        ASP  76  -5.951  27.535   0.823
  558    HA   ASP  76           HA       ASP  76  -5.238  30.113   1.762
  559    HB2  ASP  76           HB2      ASP  76  -6.145  29.602  -0.482
  560    HB3  ASP  76           HB3      ASP  76  -7.695  29.168   0.241
  561    H    VAL  77           H        VAL  77  -7.578  27.809   3.026
  562    HA   VAL  77           HA       VAL  77  -9.188  29.780   4.432
  563    HB   VAL  77           HB       VAL  77  -9.024  26.751   4.747
  564   HG11  VAL  77          HG11      VAL  77 -11.210  28.718   5.559
  565   HG12  VAL  77          HG12      VAL  77 -11.354  26.946   5.605
  566   HG13  VAL  77          HG13      VAL  77 -10.191  27.754   6.651
  567   HG21  VAL  77          HG21      VAL  77  -9.645  27.317   2.413
  568   HG22  VAL  77          HG22      VAL  77 -11.040  26.690   3.280
  569   HG23  VAL  77          HG23      VAL  77 -10.887  28.439   3.004
  570    H    GLU  78           H        GLU  78  -6.097  28.231   5.023
  571    HA   GLU  78           HA       GLU  78  -6.254  28.302   7.933
  572    HB2  GLU  78           HB2      GLU  78  -3.839  28.086   6.072
  573    HB3  GLU  78           HB3      GLU  78  -3.814  27.846   7.807
  574    HG2  GLU  78           HG2      GLU  78  -5.328  26.112   5.807
  575    HG3  GLU  78           HG3      GLU  78  -3.810  25.711   6.593
  576    HA   PRO  79           HA       PRO  79  -5.359  32.610   8.300
  577    HB2  PRO  79           HB2      PRO  79  -4.045  32.819  10.705
  578    HB3  PRO  79           HB3      PRO  79  -5.781  32.410  10.556
  579    HG2  PRO  79           HG2      PRO  79  -3.444  30.505  10.894
  580    HG3  PRO  79           HG3      PRO  79  -4.987  30.537  11.809
  581    HD2  PRO  79           HD2      PRO  79  -4.611  28.852   9.712
  582    HD3  PRO  79           HD3      PRO  79  -6.193  29.643   9.979
  583    H    ASP  80           H        ASP  80  -2.703  30.353   8.109
  584    HA   ASP  80           HA       ASP  80  -0.481  31.989   8.457
  585    HB2  ASP  80           HB2      ASP  80  -0.374  29.549   8.255
  586    HB3  ASP  80           HB3      ASP  80  -0.833  29.648   6.552
  587    H    VAL  81           H        VAL  81  -2.459  31.597   5.477
  588    HA   VAL  81           HA       VAL  81  -0.638  33.015   3.795
  589    HB   VAL  81           HB       VAL  81  -2.404  33.119   2.169
  590   HG11  VAL  81          HG11      VAL  81  -1.231  30.950   2.552
  591   HG12  VAL  81          HG12      VAL  81  -2.569  30.431   3.603
  592   HG13  VAL  81          HG13      VAL  81  -2.859  30.761   1.886
  593   HG21  VAL  81          HG21      VAL  81  -4.686  32.324   2.583
  594   HG22  VAL  81          HG22      VAL  81  -4.333  32.134   4.308
  595   HG23  VAL  81          HG23      VAL  81  -4.338  33.746   3.566
  596    H    GLY  82           H        GLY  82  -2.716  34.206   6.294
  597    HA2  GLY  82           HA2      GLY  82  -3.322  36.820   5.380
  598    HA3  GLY  82           HA3      GLY  82  -3.081  36.305   7.060
  599    H    ALA  83           H        ALA  83  -0.282  35.384   6.647
  600    HA   ALA  83           HA       ALA  83   1.077  37.849   7.136
  601    HB1  ALA  83           HB1      ALA  83   1.787  35.639   8.030
  602    HB2  ALA  83           HB2      ALA  83   2.238  35.132   6.382
  603    HB3  ALA  83           HB3      ALA  83   3.092  36.474   7.173
  604    H    LEU  84           H        LEU  84   0.367  36.143   4.142
  605    HA   LEU  84           HA       LEU  84   2.272  37.823   2.598
  606    HB2  LEU  84           HB2      LEU  84   2.166  35.454   2.017
  607    HB3  LEU  84           HB3      LEU  84   0.413  35.532   1.836
  608    HG   LEU  84           HG       LEU  84   0.637  37.024  -0.115
  609   HD11  LEU  84          HD11      LEU  84   3.645  36.684   0.292
  610   HD12  LEU  84          HD12      LEU  84   2.875  37.375  -1.154
  611   HD13  LEU  84          HD13      LEU  84   2.721  38.201   0.394
  612   HD21  LEU  84          HD21      LEU  84   0.580  34.582  -0.426
  613   HD22  LEU  84          HD22      LEU  84   1.568  35.366  -1.666
  614   HD23  LEU  84          HD23      LEU  84   2.353  34.515  -0.316
  615    H    LEU  85           H        LEU  85  -1.254  37.123   2.912
  616    HA   LEU  85           HA       LEU  85  -2.013  38.937   0.880
  617    HB2  LEU  85           HB2      LEU  85  -3.374  37.042   1.639
  618    HB3  LEU  85           HB3      LEU  85  -3.600  37.798   3.218
  619    HG   LEU  85           HG       LEU  85  -4.909  39.615   2.225
  620   HD11  LEU  85          HD11      LEU  85  -3.894  39.865   0.010
  621   HD12  LEU  85          HD12      LEU  85  -4.416  38.228  -0.450
  622   HD13  LEU  85          HD13      LEU  85  -5.611  39.514  -0.172
  623   HD21  LEU  85          HD21      LEU  85  -5.839  36.888   1.222
  624   HD22  LEU  85          HD22      LEU  85  -6.022  37.488   2.880
  625   HD23  LEU  85          HD23      LEU  85  -6.865  38.303   1.554
  626    H    TYR  86           H        TYR  86  -2.000  39.366   4.460
  627    HA   TYR  86           HA       TYR  86  -2.564  42.277   4.071
  628    HB2  TYR  86           HB2      TYR  86  -3.056  40.516   6.494
  629    HB3  TYR  86           HB3      TYR  86  -3.502  42.205   6.318
  630    HD1  TYR  86           HD2      TYR  86  -5.019  42.722   4.123
  631    HD2  TYR  86           HD1      TYR  86  -4.766  38.935   6.182
  632    HE1  TYR  86           HE2      TYR  86  -7.235  42.095   3.226
  633    HE2  TYR  86           HE1      TYR  86  -6.992  38.303   5.298
  634    HH   TYR  86           HH       TYR  86  -8.907  40.471   3.160
  635    H    GLY  87           H        GLY  87  -0.346  39.915   5.463
  636    HA2  GLY  87           HA2      GLY  87   1.236  41.852   6.965
  637    HA3  GLY  87           HA3      GLY  87   1.619  40.165   6.639
  638    H    GLU  88           H        GLU  88   3.783  40.980   6.244
  639    HA   GLU  88           HA       GLU  88   4.171  42.431   3.669
  640    HB2  GLU  88           HB2      GLU  88   5.725  42.624   6.279
  641    HB3  GLU  88           HB3      GLU  88   6.159  43.437   4.767
  642    HG2  GLU  88           HG2      GLU  88   3.969  44.628   4.789
  643    HG3  GLU  88           HG3      GLU  88   3.600  43.902   6.354
  644    H    GLU  89           H        GLU  89   4.156  39.385   4.369
  645    HA   GLU  89           HA       GLU  89   6.870  38.558   3.677
  646    HB2  GLU  89           HB2      GLU  89   4.214  37.072   3.552
  647    HB3  GLU  89           HB3      GLU  89   5.785  36.337   3.277
  648    HG2  GLU  89           HG2      GLU  89   4.900  37.629   5.890
  649    HG3  GLU  89           HG3      GLU  89   4.944  35.906   5.548
  650    H    LYS  90           H        LYS  90   4.719  40.298   1.941
  651    HA   LYS  90           HA       LYS  90   4.566  39.281  -0.674
  652    HB2  LYS  90           HB2      LYS  90   4.933  42.135   0.336
  653    HB3  LYS  90           HB3      LYS  90   4.493  41.705  -1.319
  654    HG2  LYS  90           HG2      LYS  90   2.382  40.746  -0.605
  655    HG3  LYS  90           HG3      LYS  90   2.813  40.929   1.107
  656    HD2  LYS  90           HD2      LYS  90   2.815  43.363   0.917
  657    HD3  LYS  90           HD3      LYS  90   2.558  43.267  -0.827
  658    HE2  LYS  90           HE2      LYS  90   0.486  43.852   0.342
  659    HE3  LYS  90           HE3      LYS  90   0.337  42.322  -0.525
  660    HZ1  LYS  90           HZ1      LYS  90  -0.627  42.218   1.694
  661    HZ2  LYS  90           HZ2      LYS  90   0.590  41.151   1.542
  662    HZ3  LYS  90           HZ3      LYS  90   0.847  42.515   2.400
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -1.008   5.911   2.173
    2    H2   MET   1           H2       MET   1  -2.101   4.794   1.682
    3    H3   MET   1           H3       MET   1  -0.537   4.677   1.212
    4    HA   MET   1           HA       MET   1  -1.883   5.483  -0.601
    5    HB2  MET   1           HB2      MET   1  -3.630   6.501   0.807
    6    HB3  MET   1           HB3      MET   1  -2.522   7.779   1.300
    7    HG2  MET   1           HG2      MET   1  -2.391   8.558  -1.058
    8    HG3  MET   1           HG3      MET   1  -3.494   7.261  -1.542
    9    HE1  MET   1           HE1      MET   1  -4.967   9.196  -2.727
   10    HE2  MET   1           HE2      MET   1  -5.601  10.612  -1.860
   11    HE3  MET   1           HE3      MET   1  -3.850  10.443  -2.115
   12    H    CYS   2           H        CYS   2   0.286   5.336  -1.418
   13    HA   CYS   2           HA       CYS   2   2.351   7.120  -0.582
   14    HB2  CYS   2           HB2      CYS   2   2.144   5.484  -3.157
   15    HB3  CYS   2           HB3      CYS   2   3.616   6.159  -2.446
   16    HG   CYS   2           HG       CYS   2   3.562   3.570  -2.065
   17    H    ILE   3           H        ILE   3   0.088   7.191  -3.347
   18    HA   ILE   3           HA       ILE   3   0.709   9.997  -3.978
   19    HB   ILE   3           HB       ILE   3   1.064   9.539  -6.334
   20   HG12  ILE   3          HG12      ILE   3   0.875   6.583  -5.633
   21   HG13  ILE   3          HG13      ILE   3  -0.198   7.516  -6.679
   22   HG21  ILE   3          HG21      ILE   3   3.034   9.630  -4.789
   23   HG22  ILE   3          HG22      ILE   3   3.069   7.850  -4.796
   24   HG23  ILE   3          HG23      ILE   3   3.330   8.758  -6.292
   25   HD11  ILE   3          HD11      ILE   3   2.651   6.663  -7.255
   26   HD12  ILE   3          HD12      ILE   3   1.166   6.230  -8.119
   27   HD13  ILE   3          HD13      ILE   3   1.797   7.885  -8.222
   28    H    GLY   4           H        GLY   4  -0.997  10.908  -5.226
   29    HA2  GLY   4           HA2      GLY   4  -3.410   9.645  -6.053
   30    HA3  GLY   4           HA3      GLY   4  -3.587  10.263  -4.401
   31    H    VAL   5           H        VAL   5  -1.765  11.433  -7.289
   32    HA   VAL   5           HA       VAL   5  -3.049  14.068  -7.190
   33    HB   VAL   5           HB       VAL   5  -0.764  15.153  -6.891
   34   HG11  VAL   5          HG11      VAL   5  -0.759  15.149  -4.507
   35   HG12  VAL   5          HG12      VAL   5  -2.443  15.062  -5.048
   36   HG13  VAL   5          HG13      VAL   5  -1.630  13.609  -4.431
   37   HG21  VAL   5          HG21      VAL   5   0.637  13.170  -7.355
   38   HG22  VAL   5          HG22      VAL   5   1.054  14.001  -5.851
   39   HG23  VAL   5          HG23      VAL   5   0.154  12.478  -5.790
   40    HA   PRO   6           HA       PRO   6  -1.765  14.141 -11.495
   41    HB2  PRO   6           HB2      PRO   6  -0.497  16.827 -10.980
   42    HB3  PRO   6           HB3      PRO   6  -1.597  16.338 -12.305
   43    HG2  PRO   6           HG2      PRO   6  -2.539  17.774 -10.204
   44    HG3  PRO   6           HG3      PRO   6  -3.491  16.403 -10.856
   45    HD2  PRO   6           HD2      PRO   6  -1.690  16.456  -8.427
   46    HD3  PRO   6           HD3      PRO   6  -3.324  15.744  -8.608
   47    H    GLY   7           H        GLY   7   0.100  14.069 -12.907
   48    HA2  GLY   7           HA2      GLY   7   2.765  14.722 -12.038
   49    HA3  GLY   7           HA3      GLY   7   2.494  12.973 -12.153
   50    H    GLN   8           H        GLN   8   4.310  13.811 -13.870
   51    HA   GLN   8           HA       GLN   8   2.917  13.991 -16.511
   52    HB2  GLN   8           HB2      GLN   8   4.320  16.013 -15.927
   53    HB3  GLN   8           HB3      GLN   8   5.732  14.944 -15.882
   54    HG2  GLN   8           HG2      GLN   8   5.260  14.307 -18.282
   55    HG3  GLN   8           HG3      GLN   8   3.875  15.402 -18.261
   56   HE21  GLN   8          HE22      GLN   8   4.672  16.731 -19.938
   57   HE22  GLN   8          HE21      GLN   8   6.063  17.780 -19.716
   58    H    ILE   9           H        ILE   9   3.401  12.357 -17.941
   59    HA   ILE   9           HA       ILE   9   4.875  10.020 -17.018
   60    HB   ILE   9           HB       ILE   9   3.644  10.599 -19.747
   61   HG12  ILE   9          HG12      ILE   9   2.401   9.179 -17.345
   62   HG13  ILE   9          HG13      ILE   9   1.916  10.759 -17.963
   63   HG21  ILE   9          HG21      ILE   9   4.340   7.952 -18.375
   64   HG22  ILE   9          HG22      ILE   9   3.715   8.160 -20.024
   65   HG23  ILE   9          HG23      ILE   9   5.330   8.727 -19.629
   66   HD11  ILE   9          HD11      ILE   9   1.217   9.723 -20.095
   67   HD12  ILE   9          HD12      ILE   9   1.572   8.113 -19.412
   68   HD13  ILE   9          HD13      ILE   9   0.322   9.126 -18.690
   69    H    ARG  10           H        ARG  10   6.796  11.372 -16.597
   70    HA   ARG  10           HA       ARG  10   8.096  12.828 -18.630
   71    HB2  ARG  10           HB2      ARG  10   8.234  13.031 -16.059
   72    HB3  ARG  10           HB3      ARG  10   9.356  11.684 -16.107
   73    HG2  ARG  10           HG2      ARG  10  10.658  13.662 -15.977
   74    HG3  ARG  10           HG3      ARG  10  10.835  13.099 -17.643
   75    HD2  ARG  10           HD2      ARG  10   9.112  14.767 -18.364
   76    HD3  ARG  10           HD3      ARG  10   8.919  15.274 -16.676
   77    HE   ARG  10           HE       ARG  10  11.661  15.442 -17.569
   78   HH11  ARG  10          HH11      ARG  10   8.548  17.190 -17.668
   79   HH12  ARG  10          HH12      ARG  10   9.289  18.737 -17.882
   80   HH21  ARG  10          HH21      ARG  10  12.616  17.507 -17.857
   81   HH22  ARG  10          HH22      ARG  10  11.639  18.917 -17.999
   82    H    THR  11           H        THR  11   8.509   9.423 -17.624
   83    HA   THR  11           HA       THR  11   9.940   8.934 -20.132
   84    HB   THR  11           HB       THR  11  11.065   7.634 -17.648
   85    HG1  THR  11           HG1      THR  11  12.740   9.374 -17.817
   86   HG21  THR  11          HG21      THR  11  12.308   8.475 -20.305
   87   HG22  THR  11          HG22      THR  11  13.140   7.598 -19.000
   88   HG23  THR  11          HG23      THR  11  11.806   6.829 -19.856
   89    H    ILE  12           H        ILE  12   9.800   6.580 -20.685
   90    HA   ILE  12           HA       ILE  12   7.773   5.053 -19.154
   91    HB   ILE  12           HB       ILE  12   7.854   5.444 -22.173
   92   HG12  ILE  12          HG12      ILE  12   5.802   6.260 -20.071
   93   HG13  ILE  12          HG13      ILE  12   6.821   7.339 -21.021
   94   HG21  ILE  12          HG21      ILE  12   5.895   3.941 -22.275
   95   HG22  ILE  12          HG22      ILE  12   7.277   3.099 -21.632
   96   HG23  ILE  12          HG23      ILE  12   6.000   3.656 -20.523
   97   HD11  ILE  12          HD11      ILE  12   4.463   5.709 -21.986
   98   HD12  ILE  12          HD12      ILE  12   4.704   7.461 -22.018
   99   HD13  ILE  12          HD13      ILE  12   5.652   6.432 -23.100
  100    H    ASP  13           H        ASP  13   8.209   2.796 -19.161
  101    HA   ASP  13           HA       ASP  13  10.865   1.986 -20.288
  102    HB2  ASP  13           HB2      ASP  13  10.924   2.116 -17.857
  103    HB3  ASP  13           HB3      ASP  13   9.473   1.116 -17.735
  104    H    GLY  14           H        GLY  14   7.440   1.216 -19.873
  105    HA2  GLY  14           HA2      GLY  14   7.120  -0.266 -22.193
  106    HA3  GLY  14           HA3      GLY  14   7.503  -1.450 -20.922
  107    H    ASN  15           H        ASN  15   5.659  -2.267 -20.079
  108    HA   ASN  15           HA       ASN  15   3.117  -0.935 -19.928
  109    HB2  ASN  15           HB2      ASN  15   3.339  -3.373 -19.869
  110    HB3  ASN  15           HB3      ASN  15   4.304  -3.283 -18.389
  111   HD21  ASN  15          HD22      ASN  15   1.040  -2.188 -19.617
  112   HD22  ASN  15          HD21      ASN  15   0.234  -2.531 -18.093
  113    H    GLN  16           H        GLN  16   6.009  -0.727 -17.970
  114    HA   GLN  16           HA       GLN  16   4.591   0.878 -15.904
  115    HB2  GLN  16           HB2      GLN  16   7.468  -0.130 -15.954
  116    HB3  GLN  16           HB3      GLN  16   6.698   0.783 -14.660
  117    HG2  GLN  16           HG2      GLN  16   6.003  -2.052 -15.522
  118    HG3  GLN  16           HG3      GLN  16   6.872  -1.571 -14.069
  119   HE21  GLN  16          HE22      GLN  16   5.614  -0.031 -12.520
  120   HE22  GLN  16          HE21      GLN  16   3.892  -0.356 -12.362
  121    H    ALA  17           H        ALA  17   5.416   2.970 -15.457
  122    HA   ALA  17           HA       ALA  17   7.356   4.172 -17.325
  123    HB1  ALA  17           HB1      ALA  17   4.568   5.273 -16.723
  124    HB2  ALA  17           HB2      ALA  17   5.838   6.153 -17.592
  125    HB3  ALA  17           HB3      ALA  17   5.160   4.674 -18.296
  126    H    LYS  18           H        LYS  18   8.018   6.362 -16.495
  127    HA   LYS  18           HA       LYS  18   8.264   6.238 -13.512
  128    HB2  LYS  18           HB2      LYS  18  10.292   6.989 -15.644
  129    HB3  LYS  18           HB3      LYS  18  10.428   7.506 -13.971
  130    HG2  LYS  18           HG2      LYS  18  11.806   5.609 -14.232
  131    HG3  LYS  18           HG3      LYS  18  10.449   5.173 -13.191
  132    HD2  LYS  18           HD2      LYS  18   9.423   3.864 -14.971
  133    HD3  LYS  18           HD3      LYS  18  10.547   4.528 -16.168
  134    HE2  LYS  18           HE2      LYS  18  11.229   2.287 -15.654
  135    HE3  LYS  18           HE3      LYS  18  12.435   3.395 -14.998
  136    HZ1  LYS  18           HZ1      LYS  18  11.460   3.052 -12.807
  137    HZ2  LYS  18           HZ2      LYS  18  10.276   2.083 -13.419
  138    HZ3  LYS  18           HZ3      LYS  18  11.844   1.609 -13.457
  139    H    VAL  19           H        VAL  19   6.323   7.397 -13.360
  140    HA   VAL  19           HA       VAL  19   5.896   9.878 -14.826
  141    HB   VAL  19           HB       VAL  19   4.428   8.563 -12.495
  142   HG11  VAL  19          HG11      VAL  19   3.984  11.013 -12.540
  143   HG12  VAL  19          HG12      VAL  19   3.493  10.881 -14.242
  144   HG13  VAL  19          HG13      VAL  19   2.557  10.083 -12.977
  145   HG21  VAL  19          HG21      VAL  19   4.311   7.243 -14.602
  146   HG22  VAL  19          HG22      VAL  19   2.741   7.944 -14.200
  147   HG23  VAL  19          HG23      VAL  19   3.742   8.678 -15.468
  148    H    ASP  20           H        ASP  20   6.531  11.898 -14.110
  149    HA   ASP  20           HA       ASP  20   7.993  12.200 -11.548
  150    HB2  ASP  20           HB2      ASP  20   8.902  13.535 -13.325
  151    HB3  ASP  20           HB3      ASP  20   7.298  14.089 -13.821
  152    H    VAL  21           H        VAL  21   6.680  12.142  -9.819
  153    HA   VAL  21           HA       VAL  21   3.875  12.992 -10.043
  154    HB   VAL  21           HB       VAL  21   5.307  11.792  -7.638
  155   HG11  VAL  21          HG11      VAL  21   3.101  12.871  -7.170
  156   HG12  VAL  21          HG12      VAL  21   2.357  11.895  -8.452
  157   HG13  VAL  21          HG13      VAL  21   3.013  11.122  -6.992
  158   HG21  VAL  21          HG21      VAL  21   4.208   9.635  -8.416
  159   HG22  VAL  21          HG22      VAL  21   3.872  10.434  -9.966
  160   HG23  VAL  21          HG23      VAL  21   5.542  10.179  -9.434
  161    H    CYS  22           H        CYS  22   5.089  15.056 -10.673
  162    HA   CYS  22           HA       CYS  22   5.744  17.171 -10.339
  163    HB2  CYS  22           HB2      CYS  22   3.616  17.071  -8.168
  164    HB3  CYS  22           HB3      CYS  22   4.170  18.500  -9.056
  165    HG   CYS  22           HG       CYS  22   2.481  15.835 -10.043
  166    H    GLY  23           H        GLY  23   7.712  15.656  -9.193
  167    HA2  GLY  23           HA2      GLY  23   9.059  17.481  -7.618
  168    HA3  GLY  23           HA3      GLY  23   8.265  16.417  -6.445
  169    H    ILE  24           H        ILE  24   8.434  13.950  -7.984
  170    HA   ILE  24           HA       ILE  24  11.184  13.532  -8.708
  171    HB   ILE  24           HB       ILE  24  11.260  13.387  -6.199
  172   HG12  ILE  24          HG12      ILE  24  12.421  11.268  -5.951
  173   HG13  ILE  24          HG13      ILE  24  11.790  10.679  -7.483
  174   HG21  ILE  24          HG21      ILE  24   9.470  10.949  -6.501
  175   HG22  ILE  24          HG22      ILE  24  10.210  11.552  -5.003
  176   HG23  ILE  24          HG23      ILE  24   8.964  12.509  -5.814
  177   HD11  ILE  24          HD11      ILE  24  13.087  12.390  -8.702
  178   HD12  ILE  24          HD12      ILE  24  13.606  13.114  -7.159
  179   HD13  ILE  24          HD13      ILE  24  14.146  11.485  -7.612
  180    H    GLN  25           H        GLN  25  11.426  11.392  -9.710
  181    HA   GLN  25           HA       GLN  25   8.961  10.540 -11.019
  182    HB2  GLN  25           HB2      GLN  25  11.847   9.658 -11.316
  183    HB3  GLN  25           HB3      GLN  25  10.486   8.887 -12.147
  184    HG2  GLN  25           HG2      GLN  25   9.833  11.086 -13.127
  185    HG3  GLN  25           HG3      GLN  25  11.240  11.834 -12.376
  186   HE21  GLN  25          HE22      GLN  25  10.094   9.798 -15.021
  187   HE22  GLN  25          HE21      GLN  25  11.589   9.816 -15.922
  188    H    ARG  26           H        ARG  26   7.803   8.782 -10.639
  189    HA   ARG  26           HA       ARG  26   8.737   6.766  -8.637
  190    HB2  ARG  26           HB2      ARG  26   5.882   7.773  -9.049
  191    HB3  ARG  26           HB3      ARG  26   6.371   6.499  -7.947
  192    HG2  ARG  26           HG2      ARG  26   7.118   9.447  -7.687
  193    HG3  ARG  26           HG3      ARG  26   5.870   8.587  -6.782
  194    HD2  ARG  26           HD2      ARG  26   7.681   7.052  -5.891
  195    HD3  ARG  26           HD3      ARG  26   8.868   8.138  -6.645
  196    HE   ARG  26           HE       ARG  26   6.929   9.483  -4.932
  197   HH11  ARG  26          HH11      ARG  26  10.038   7.769  -4.929
  198   HH12  ARG  26          HH12      ARG  26  10.591   8.470  -3.454
  199   HH21  ARG  26          HH21      ARG  26   7.669  10.432  -2.965
  200   HH22  ARG  26          HH22      ARG  26   9.205  10.017  -2.314
  201    H    ASP  27           H        ASP  27   8.202   4.620  -9.241
  202    HA   ASP  27           HA       ASP  27   7.671   4.185 -12.084
  203    HB2  ASP  27           HB2      ASP  27   9.259   2.789 -10.741
  204    HB3  ASP  27           HB3      ASP  27   7.888   2.165  -9.816
  205    H    VAL  28           H        VAL  28   5.667   3.759 -12.948
  206    HA   VAL  28           HA       VAL  28   3.340   3.247 -11.173
  207    HB   VAL  28           HB       VAL  28   3.725   5.484 -13.207
  208   HG11  VAL  28          HG11      VAL  28   1.454   4.552 -13.498
  209   HG12  VAL  28          HG12      VAL  28   1.157   4.740 -11.752
  210   HG13  VAL  28          HG13      VAL  28   1.410   6.155 -12.796
  211   HG21  VAL  28          HG21      VAL  28   3.071   5.538 -10.223
  212   HG22  VAL  28          HG22      VAL  28   4.571   6.096 -10.990
  213   HG23  VAL  28          HG23      VAL  28   3.067   6.960 -11.284
  214    H    ASP  29           H        ASP  29   1.817   1.973 -12.089
  215    HA   ASP  29           HA       ASP  29   2.406   0.480 -14.549
  216    HB2  ASP  29           HB2      ASP  29   1.624  -0.543 -12.412
  217    HB3  ASP  29           HB3      ASP  29   0.144   0.401 -12.509
  218    H    LEU  30           H        LEU  30   1.457   0.917 -16.526
  219    HA   LEU  30           HA       LEU  30  -0.522   3.146 -16.631
  220    HB2  LEU  30           HB2      LEU  30   1.373   2.097 -18.767
  221    HB3  LEU  30           HB3      LEU  30   0.190   3.373 -18.992
  222    HG   LEU  30           HG       LEU  30   2.722   3.498 -17.341
  223   HD11  LEU  30          HD11      LEU  30   1.593   5.085 -19.700
  224   HD12  LEU  30          HD12      LEU  30   3.099   5.474 -18.872
  225   HD13  LEU  30          HD13      LEU  30   2.951   3.934 -19.735
  226   HD21  LEU  30          HD21      LEU  30   2.067   5.839 -16.753
  227   HD22  LEU  30          HD22      LEU  30   0.439   5.521 -17.392
  228   HD23  LEU  30          HD23      LEU  30   1.053   4.629 -15.974
  229    H    THR  31           H        THR  31  -0.899  -0.110 -16.497
  230    HA   THR  31           HA       THR  31  -1.955  -0.880 -18.955
  231    HB   THR  31           HB       THR  31  -2.975  -1.850 -16.254
  232    HG1  THR  31           HG1      THR  31  -0.851  -1.892 -16.066
  233   HG21  THR  31          HG21      THR  31  -4.127  -2.894 -18.166
  234   HG22  THR  31          HG22      THR  31  -2.568  -3.279 -18.928
  235   HG23  THR  31          HG23      THR  31  -3.043  -4.062 -17.403
  236    H    LEU  32           H        LEU  32  -3.598   1.011 -16.427
  237    HA   LEU  32           HA       LEU  32  -6.259   0.610 -17.459
  238    HB2  LEU  32           HB2      LEU  32  -5.166   2.831 -15.708
  239    HB3  LEU  32           HB3      LEU  32  -6.869   2.486 -15.967
  240    HG   LEU  32           HG       LEU  32  -4.872   0.682 -14.538
  241   HD11  LEU  32          HD11      LEU  32  -5.562   2.659 -13.240
  242   HD12  LEU  32          HD12      LEU  32  -7.270   2.249 -13.495
  243   HD13  LEU  32          HD13      LEU  32  -6.219   1.175 -12.542
  244   HD21  LEU  32          HD21      LEU  32  -6.502  -0.741 -15.679
  245   HD22  LEU  32          HD22      LEU  32  -6.855  -0.713 -13.953
  246   HD23  LEU  32          HD23      LEU  32  -7.847   0.252 -15.069
  247    H    VAL  33           H        VAL  33  -3.665   2.548 -18.673
  248    HA   VAL  33           HA       VAL  33  -5.579   4.159 -20.303
  249    HB   VAL  33           HB       VAL  33  -4.063   6.068 -20.086
  250   HG11  VAL  33          HG11      VAL  33  -4.970   5.066 -17.350
  251   HG12  VAL  33          HG12      VAL  33  -4.663   6.743 -17.815
  252   HG13  VAL  33          HG13      VAL  33  -6.007   5.857 -18.555
  253   HG21  VAL  33          HG21      VAL  33  -2.308   6.178 -18.388
  254   HG22  VAL  33          HG22      VAL  33  -2.579   4.483 -17.941
  255   HG23  VAL  33          HG23      VAL  33  -1.934   4.897 -19.544
  256    H    GLY  34           H        GLY  34  -2.790   2.125 -20.267
  257    HA2  GLY  34           HA2      GLY  34  -1.666   1.152 -22.014
  258    HA3  GLY  34           HA3      GLY  34  -2.478   2.207 -23.182
  259    H    SER  35           H        SER  35   0.488   1.549 -22.610
  260    HA   SER  35           HA       SER  35   1.662   4.030 -21.759
  261    HB2  SER  35           HB2      SER  35   2.954   1.756 -23.309
  262    HB3  SER  35           HB3      SER  35   3.751   2.968 -22.289
  263    HG   SER  35           HG       SER  35   3.564   1.243 -21.024
  264    H    CYS  36           H        CYS  36   0.084   3.315 -24.655
  265    HA   CYS  36           HA       CYS  36   1.707   5.302 -26.165
  266    HB2  CYS  36           HB2      CYS  36   0.028   3.008 -27.247
  267    HB3  CYS  36           HB3      CYS  36   0.837   4.255 -28.213
  268    HG   CYS  36           HG       CYS  36   2.189   2.105 -26.084
  269    H    ASP  37           H        ASP  37   0.703   6.918 -27.086
  270    HA   ASP  37           HA       ASP  37  -1.980   7.783 -26.280
  271    HB2  ASP  37           HB2      ASP  37  -0.161   9.397 -26.301
  272    HB3  ASP  37           HB3      ASP  37   0.317   8.904 -27.918
  273    H    GLU  38           H        GLU  38  -3.565   8.349 -27.905
  274    HA   GLU  38           HA       GLU  38  -4.198   6.242 -29.595
  275    HB2  GLU  38           HB2      GLU  38  -5.689   7.981 -28.487
  276    HB3  GLU  38           HB3      GLU  38  -5.215   9.110 -29.750
  277    HG2  GLU  38           HG2      GLU  38  -7.369   8.198 -30.286
  278    HG3  GLU  38           HG3      GLU  38  -6.224   7.580 -31.461
  279    H    ASN  39           H        ASN  39  -2.222   9.085 -30.359
  280    HA   ASN  39           HA       ASN  39  -2.559   8.905 -33.236
  281    HB2  ASN  39           HB2      ASN  39  -0.432  10.262 -31.542
  282    HB3  ASN  39           HB3      ASN  39  -0.508  10.368 -33.288
  283   HD21  ASN  39          HD22      ASN  39  -2.074  11.402 -30.296
  284   HD22  ASN  39          HD21      ASN  39  -3.117  12.603 -31.049
  285    H    GLY  40           H        GLY  40  -0.987   6.772 -31.087
  286    HA2  GLY  40           HA2      GLY  40   0.177   4.854 -31.665
  287    HA3  GLY  40           HA3      GLY  40   0.403   5.448 -33.320
  288    H    GLN  41           H        GLN  41   1.216   6.775 -30.068
  289    HA   GLN  41           HA       GLN  41   4.098   6.766 -30.644
  290    HB2  GLN  41           HB2      GLN  41   4.318   9.152 -30.109
  291    HB3  GLN  41           HB3      GLN  41   3.276   8.942 -31.518
  292    HG2  GLN  41           HG2      GLN  41   1.273   9.193 -30.014
  293    HG3  GLN  41           HG3      GLN  41   2.367   9.531 -28.667
  294   HE21  GLN  41          HE22      GLN  41   0.269  11.269 -29.574
  295   HE22  GLN  41          HE21      GLN  41   1.048  12.745 -30.126
  296    HA   PRO  42           HA       PRO  42   3.850   5.803 -26.260
  297    HB2  PRO  42           HB2      PRO  42   6.262   6.613 -25.268
  298    HB3  PRO  42           HB3      PRO  42   6.073   5.197 -26.335
  299    HG2  PRO  42           HG2      PRO  42   6.895   8.013 -27.111
  300    HG3  PRO  42           HG3      PRO  42   7.680   6.465 -27.563
  301    HD2  PRO  42           HD2      PRO  42   5.915   7.739 -29.212
  302    HD3  PRO  42           HD3      PRO  42   5.980   5.953 -29.118
  303    H    ARG  43           H        ARG  43   3.200   6.876 -24.316
  304    HA   ARG  43           HA       ARG  43   2.209   9.530 -24.693
  305    HB2  ARG  43           HB2      ARG  43   2.286   7.780 -22.192
  306    HB3  ARG  43           HB3      ARG  43   1.403   9.298 -22.343
  307    HG2  ARG  43           HG2      ARG  43   0.125   8.310 -24.277
  308    HG3  ARG  43           HG3      ARG  43   0.824   6.743 -23.841
  309    HD2  ARG  43           HD2      ARG  43  -0.067   6.988 -21.538
  310    HD3  ARG  43           HD3      ARG  43  -0.764   8.556 -21.963
  311    HE   ARG  43           HE       ARG  43  -1.739   5.890 -22.597
  312   HH11  ARG  43          HH11      ARG  43  -1.906   9.308 -23.659
  313   HH12  ARG  43          HH12      ARG  43  -3.500   9.153 -24.313
  314   HH21  ARG  43          HH21      ARG  43  -3.857   5.729 -23.373
  315   HH22  ARG  43          HH22      ARG  43  -4.628   7.047 -24.196
  316    H    VAL  44           H        VAL  44   5.260   9.410 -24.598
  317    HA   VAL  44           HA       VAL  44   6.185  10.357 -22.062
  318    HB   VAL  44           HB       VAL  44   7.377  10.644 -24.852
  319   HG11  VAL  44          HG11      VAL  44   8.671  11.092 -22.120
  320   HG12  VAL  44          HG12      VAL  44   9.540  11.022 -23.669
  321   HG13  VAL  44          HG13      VAL  44   8.393  12.328 -23.367
  322   HG21  VAL  44          HG21      VAL  44   7.126   8.286 -24.079
  323   HG22  VAL  44          HG22      VAL  44   8.820   8.765 -24.169
  324   HG23  VAL  44          HG23      VAL  44   8.008   8.685 -22.593
  325    H    GLY  45           H        GLY  45   5.933  12.267 -21.126
  326    HA2  GLY  45           HA2      GLY  45   6.012  14.586 -20.965
  327    HA3  GLY  45           HA3      GLY  45   5.704  14.751 -22.696
  328    H    GLN  46           H        GLN  46   3.319  12.619 -21.979
  329    HA   GLN  46           HA       GLN  46   1.282  14.690 -21.754
  330    HB2  GLN  46           HB2      GLN  46   1.071  11.649 -21.546
  331    HB3  GLN  46           HB3      GLN  46  -0.290  12.779 -21.602
  332    HG2  GLN  46           HG2      GLN  46   0.593  13.644 -23.794
  333    HG3  GLN  46           HG3      GLN  46   1.773  12.336 -23.805
  334   HE21  GLN  46          HE22      GLN  46  -0.210  12.815 -25.817
  335   HE22  GLN  46          HE21      GLN  46  -1.324  11.460 -25.844
  336    H    TRP  47           H        TRP  47  -0.272  14.804 -19.928
  337    HA   TRP  47           HA       TRP  47   1.105  14.314 -17.339
  338    HB2  TRP  47           HB2      TRP  47  -1.032  16.307 -18.098
  339    HB3  TRP  47           HB3      TRP  47  -0.576  15.923 -16.441
  340    HD1  TRP  47           HD1      TRP  47   1.128  17.216 -19.662
  341    HE1  TRP  47           HE1      TRP  47   3.012  18.818 -19.046
  342    HE3  TRP  47           HE3      TRP  47   0.943  16.737 -14.568
  343    HZ2  TRP  47           HZ2      TRP  47   4.308  19.773 -16.632
  344    HZ3  TRP  47           HZ3      TRP  47   2.521  18.001 -13.137
  345    HH2  TRP  47           HH2      TRP  47   4.206  19.518 -14.153
  346    H    VAL  48           H        VAL  48  -0.284  13.588 -15.563
  347    HA   VAL  48           HA       VAL  48  -2.539  11.869 -16.340
  348    HB   VAL  48           HB       VAL  48  -0.502  10.698 -17.075
  349   HG11  VAL  48          HG11      VAL  48   0.471  10.967 -14.209
  350   HG12  VAL  48          HG12      VAL  48   1.165   9.851 -15.398
  351   HG13  VAL  48          HG13      VAL  48   1.235  11.593 -15.678
  352   HG21  VAL  48          HG21      VAL  48  -1.572   9.276 -14.636
  353   HG22  VAL  48          HG22      VAL  48  -2.363   9.329 -16.233
  354   HG23  VAL  48          HG23      VAL  48  -0.774   8.579 -16.055
  355    H    LEU  49           H        LEU  49  -3.539  10.901 -14.467
  356    HA   LEU  49           HA       LEU  49  -2.923  12.203 -11.831
  357    HB2  LEU  49           HB2      LEU  49  -5.373  10.668 -12.829
  358    HB3  LEU  49           HB3      LEU  49  -5.163  11.280 -11.191
  359    HG   LEU  49           HG       LEU  49  -5.364  12.994 -13.701
  360   HD11  LEU  49          HD11      LEU  49  -7.446  11.797 -13.143
  361   HD12  LEU  49          HD12      LEU  49  -7.401  12.470 -11.500
  362   HD13  LEU  49          HD13      LEU  49  -7.609  13.545 -12.902
  363   HD21  LEU  49          HD21      LEU  49  -5.671  14.878 -12.081
  364   HD22  LEU  49          HD22      LEU  49  -5.281  13.774 -10.745
  365   HD23  LEU  49          HD23      LEU  49  -4.063  14.160 -11.983
  366    H    VAL  50           H        VAL  50  -2.040  10.780 -10.276
  367    HA   VAL  50           HA       VAL  50  -2.107   7.880 -10.955
  368    HB   VAL  50           HB       VAL  50   0.211   7.735 -10.077
  369   HG11  VAL  50          HG11      VAL  50  -0.087   9.496 -12.540
  370   HG12  VAL  50          HG12      VAL  50   1.289   8.449 -12.131
  371   HG13  VAL  50          HG13      VAL  50  -0.280   7.736 -12.496
  372   HG21  VAL  50          HG21      VAL  50   0.338  10.768 -10.446
  373   HG22  VAL  50          HG22      VAL  50   0.342   9.945  -8.874
  374   HG23  VAL  50          HG23      VAL  50   1.667   9.681 -10.013
  375    H    HIS  51           H        HIS  51  -2.453   6.490  -9.292
  376    HA   HIS  51           HA       HIS  51  -2.674   7.574  -6.547
  377    HB2  HIS  51           HB2      HIS  51  -4.884   7.859  -7.611
  378    HB3  HIS  51           HB3      HIS  51  -4.878   6.158  -8.083
  379    HD1  HIS  51           HD1      HIS  51  -6.625   4.985  -6.573
  380    HD2  HIS  51           HD2      HIS  51  -4.265   7.839  -4.570
  381    HE1  HIS  51           HE1      HIS  51  -7.337   4.922  -4.131
  382    H    VAL  52           H        VAL  52  -1.987   6.129  -5.095
  383    HA   VAL  52           HA       VAL  52  -0.918   4.436  -4.152
  384    HB   VAL  52           HB       VAL  52  -2.569   2.614  -5.940
  385   HG11  VAL  52          HG11      VAL  52  -2.270   0.958  -4.130
  386   HG12  VAL  52          HG12      VAL  52  -0.722   1.395  -4.852
  387   HG13  VAL  52          HG13      VAL  52  -1.184   2.075  -3.275
  388   HG21  VAL  52          HG21      VAL  52  -3.163   3.753  -3.170
  389   HG22  VAL  52          HG22      VAL  52  -4.040   4.110  -4.672
  390   HG23  VAL  52          HG23      VAL  52  -4.107   2.490  -3.989
  391    H    GLY  53           H        GLY  53  -1.051   3.438  -7.596
  392    HA2  GLY  53           HA2      GLY  53   1.719   3.874  -8.126
  393    HA3  GLY  53           HA3      GLY  53   1.426   2.158  -7.790
  394    H    PHE  54           H        PHE  54  -1.193   4.072  -9.265
  395    HA   PHE  54           HA       PHE  54  -0.716   2.728 -11.881
  396    HB2  PHE  54           HB2      PHE  54  -3.333   2.928 -10.329
  397    HB3  PHE  54           HB3      PHE  54  -3.138   2.263 -11.940
  398    HD1  PHE  54           HD1      PHE  54  -2.557   1.681  -8.330
  399    HD2  PHE  54           HD2      PHE  54  -2.239   0.015 -12.297
  400    HE1  PHE  54           HE1      PHE  54  -2.142  -0.564  -7.355
  401    HE2  PHE  54           HE2      PHE  54  -1.831  -2.229 -11.318
  402    HZ   PHE  54           HZ       PHE  54  -1.775  -2.522  -8.848
  403    H    ALA  55           H        ALA  55  -1.310   3.963 -13.632
  404    HA   ALA  55           HA       ALA  55  -2.002   6.796 -13.283
  405    HB1  ALA  55           HB1      ALA  55  -2.193   6.657 -15.806
  406    HB2  ALA  55           HB2      ALA  55  -0.601   6.197 -15.160
  407    HB3  ALA  55           HB3      ALA  55  -1.753   4.945 -15.695
  408    H    MET  56           H        MET  56  -4.036   7.509 -13.006
  409    HA   MET  56           HA       MET  56  -6.268   5.583 -13.241
  410    HB2  MET  56           HB2      MET  56  -6.200   8.415 -12.117
  411    HB3  MET  56           HB3      MET  56  -7.553   7.288 -12.032
  412    HG2  MET  56           HG2      MET  56  -4.832   7.026 -10.707
  413    HG3  MET  56           HG3      MET  56  -6.376   7.290  -9.916
  414    HE1  MET  56           HE1      MET  56  -8.126   3.778 -10.233
  415    HE2  MET  56           HE2      MET  56  -8.266   5.450  -9.647
  416    HE3  MET  56           HE3      MET  56  -8.305   5.109 -11.394
  417    H    SER  57           H        SER  57  -5.410   8.903 -14.436
  418    HA   SER  57           HA       SER  57  -6.843   8.354 -16.955
  419    HB2  SER  57           HB2      SER  57  -7.363  10.848 -15.276
  420    HB3  SER  57           HB3      SER  57  -8.106  10.430 -16.824
  421    HG   SER  57           HG       SER  57  -9.491   9.990 -15.064
  422    H    VAL  58           H        VAL  58  -5.871   9.466 -18.664
  423    HA   VAL  58           HA       VAL  58  -3.415  11.031 -18.140
  424    HB   VAL  58           HB       VAL  58  -4.793  10.059 -20.679
  425   HG11  VAL  58          HG11      VAL  58  -2.799  10.781 -21.908
  426   HG12  VAL  58          HG12      VAL  58  -3.576  12.175 -21.165
  427   HG13  VAL  58          HG13      VAL  58  -2.106  11.485 -20.438
  428   HG21  VAL  58          HG21      VAL  58  -3.670   8.289 -19.323
  429   HG22  VAL  58          HG22      VAL  58  -2.849   8.561 -20.853
  430   HG23  VAL  58          HG23      VAL  58  -2.165   9.226 -19.353
  431    H    ILE  59           H        ILE  59  -3.335  13.281 -18.639
  432    HA   ILE  59           HA       ILE  59  -5.888  14.687 -19.136
  433    HB   ILE  59           HB       ILE  59  -5.565  16.104 -17.204
  434   HG12  ILE  59          HG12      ILE  59  -3.270  14.304 -16.400
  435   HG13  ILE  59          HG13      ILE  59  -3.149  15.986 -16.940
  436   HG21  ILE  59          HG21      ILE  59  -6.415  14.647 -15.505
  437   HG22  ILE  59          HG22      ILE  59  -6.984  14.036 -17.056
  438   HG23  ILE  59          HG23      ILE  59  -5.630  13.230 -16.231
  439   HD11  ILE  59          HD11      ILE  59  -2.936  15.921 -14.543
  440   HD12  ILE  59          HD12      ILE  59  -4.503  16.669 -14.944
  441   HD13  ILE  59          HD13      ILE  59  -4.422  14.990 -14.370
  442    H    ASN  60           H        ASN  60  -5.496  17.056 -19.513
  443    HA   ASN  60           HA       ASN  60  -3.091  17.393 -21.172
  444    HB2  ASN  60           HB2      ASN  60  -5.382  18.298 -21.805
  445    HB3  ASN  60           HB3      ASN  60  -5.208  19.445 -20.460
  446   HD21  ASN  60          HD22      ASN  60  -5.302  21.278 -21.925
  447   HD22  ASN  60          HD21      ASN  60  -3.930  21.662 -22.928
  448    H    GLU  61           H        GLU  61  -1.774  19.320 -20.940
  449    HA   GLU  61           HA       GLU  61  -0.415  19.649 -18.508
  450    HB2  GLU  61           HB2      GLU  61  -0.749  21.649 -20.785
  451    HB3  GLU  61           HB3      GLU  61   0.613  21.557 -19.654
  452    HG2  GLU  61           HG2      GLU  61   1.158  19.294 -20.641
  453    HG3  GLU  61           HG3      GLU  61  -0.138  19.530 -21.811
  454    H    ALA  62           H        ALA  62  -3.164  21.490 -19.879
  455    HA   ALA  62           HA       ALA  62  -2.936  23.708 -18.041
  456    HB1  ALA  62           HB1      ALA  62  -5.103  24.393 -18.985
  457    HB2  ALA  62           HB2      ALA  62  -3.978  23.928 -20.274
  458    HB3  ALA  62           HB3      ALA  62  -5.284  22.821 -19.787
  459    H    GLU  63           H        GLU  63  -5.192  20.881 -18.222
  460    HA   GLU  63           HA       GLU  63  -6.502  21.691 -15.794
  461    HB2  GLU  63           HB2      GLU  63  -7.863  19.794 -16.007
  462    HB3  GLU  63           HB3      GLU  63  -7.585  20.413 -17.637
  463    HG2  GLU  63           HG2      GLU  63  -5.723  18.673 -17.835
  464    HG3  GLU  63           HG3      GLU  63  -6.323  17.987 -16.320
  465    H    ALA  64           H        ALA  64  -3.694  19.604 -16.490
  466    HA   ALA  64           HA       ALA  64  -3.436  18.443 -13.902
  467    HB1  ALA  64           HB1      ALA  64  -1.063  18.220 -14.469
  468    HB2  ALA  64           HB2      ALA  64  -2.053  17.802 -15.881
  469    HB3  ALA  64           HB3      ALA  64  -1.231  19.368 -15.812
  470    H    ARG  65           H        ARG  65  -2.100  21.533 -15.224
  471    HA   ARG  65           HA       ARG  65  -0.979  22.357 -12.717
  472    HB2  ARG  65           HB2      ARG  65  -1.742  23.867 -15.245
  473    HB3  ARG  65           HB3      ARG  65  -1.001  24.659 -13.847
  474    HG2  ARG  65           HG2      ARG  65   0.968  23.261 -13.958
  475    HG3  ARG  65           HG3      ARG  65   0.278  22.253 -15.232
  476    HD2  ARG  65           HD2      ARG  65   0.841  25.230 -15.523
  477    HD3  ARG  65           HD3      ARG  65   1.954  23.944 -16.026
  478    HE   ARG  65           HE       ARG  65  -0.403  23.265 -17.255
  479   HH11  ARG  65          HH11      ARG  65   1.709  26.123 -17.314
  480   HH12  ARG  65          HH12      ARG  65   1.296  26.591 -18.920
  481   HH21  ARG  65          HH21      ARG  65  -0.983  23.920 -19.430
  482   HH22  ARG  65          HH22      ARG  65  -0.256  25.307 -20.139
  483    H    ASP  66           H        ASP  66  -4.217  22.969 -14.181
  484    HA   ASP  66           HA       ASP  66  -5.134  24.707 -12.126
  485    HB2  ASP  66           HB2      ASP  66  -6.346  24.378 -14.232
  486    HB3  ASP  66           HB3      ASP  66  -6.685  22.700 -13.797
  487    H    THR  67           H        THR  67  -5.147  21.108 -12.319
  488    HA   THR  67           HA       THR  67  -6.524  20.718  -9.844
  489    HB   THR  67           HB       THR  67  -4.549  18.870 -11.253
  490    HG1  THR  67           HG1      THR  67  -6.171  19.411 -12.656
  491   HG21  THR  67          HG21      THR  67  -5.890  17.062 -10.184
  492   HG22  THR  67          HG22      THR  67  -5.085  18.079  -8.984
  493   HG23  THR  67          HG23      THR  67  -6.820  18.289  -9.293
  494    H    LEU  68           H        LEU  68  -3.006  21.042 -10.630
  495    HA   LEU  68           HA       LEU  68  -2.122  20.597  -7.932
  496    HB2  LEU  68           HB2      LEU  68  -0.883  22.148 -10.240
  497    HB3  LEU  68           HB3      LEU  68  -0.066  21.879  -8.705
  498    HG   LEU  68           HG       LEU  68  -1.019  19.622 -10.519
  499   HD11  LEU  68          HD11      LEU  68   1.780  20.776 -10.195
  500   HD12  LEU  68          HD12      LEU  68   1.305  19.392 -11.206
  501   HD13  LEU  68          HD13      LEU  68   0.722  21.007 -11.606
  502   HD21  LEU  68          HD21      LEU  68   0.497  18.226  -9.150
  503   HD22  LEU  68          HD22      LEU  68   0.833  19.613  -8.096
  504   HD23  LEU  68          HD23      LEU  68  -0.796  18.906  -8.172
  505    H    ASP  69           H        ASP  69  -3.152  23.576  -9.661
  506    HA   ASP  69           HA       ASP  69  -2.514  25.360  -7.512
  507    HB2  ASP  69           HB2      ASP  69  -2.917  26.163  -9.777
  508    HB3  ASP  69           HB3      ASP  69  -4.582  25.581  -9.730
  509    H    ALA  70           H        ALA  70  -5.487  23.485  -8.282
  510    HA   ALA  70           HA       ALA  70  -7.079  24.451  -6.124
  511    HB1  ALA  70           HB1      ALA  70  -7.118  21.730  -7.496
  512    HB2  ALA  70           HB2      ALA  70  -8.392  22.402  -6.466
  513    HB3  ALA  70           HB3      ALA  70  -8.005  23.182  -8.013
  514    H    LEU  71           H        LEU  71  -4.951  21.566  -6.359
  515    HA   LEU  71           HA       LEU  71  -5.296  20.635  -3.723
  516    HB2  LEU  71           HB2      LEU  71  -3.043  20.361  -5.738
  517    HB3  LEU  71           HB3      LEU  71  -2.958  19.574  -4.171
  518    HG   LEU  71           HG       LEU  71  -5.274  19.099  -6.091
  519   HD11  LEU  71          HD11      LEU  71  -3.189  18.406  -7.176
  520   HD12  LEU  71          HD12      LEU  71  -2.703  17.496  -5.729
  521   HD13  LEU  71          HD13      LEU  71  -4.120  16.985  -6.677
  522   HD21  LEU  71          HD21      LEU  71  -5.596  17.051  -4.738
  523   HD22  LEU  71          HD22      LEU  71  -4.271  17.546  -3.663
  524   HD23  LEU  71          HD23      LEU  71  -5.766  18.501  -3.747
  525    H    GLN  72           H        GLN  72  -3.442  23.394  -4.798
  526    HA   GLN  72           HA       GLN  72  -2.008  23.548  -2.197
  527    HB2  GLN  72           HB2      GLN  72  -1.886  25.159  -4.772
  528    HB3  GLN  72           HB3      GLN  72  -1.054  25.645  -3.287
  529    HG2  GLN  72           HG2      GLN  72   0.315  23.671  -3.272
  530    HG3  GLN  72           HG3      GLN  72  -0.637  22.898  -4.538
  531   HE21  GLN  72          HE22      GLN  72  -0.562  23.755  -6.706
  532   HE22  GLN  72          HE21      GLN  72   0.840  24.665  -7.263
  533    H    ASN  73           H        ASN  73  -4.049  25.835  -4.181
  534    HA   ASN  73           HA       ASN  73  -4.259  27.564  -1.964
  535    HB2  ASN  73           HB2      ASN  73  -5.386  29.018  -3.271
  536    HB3  ASN  73           HB3      ASN  73  -4.609  28.057  -4.517
  537   HD21  ASN  73          HD22      ASN  73  -5.985  26.456  -5.677
  538   HD22  ASN  73          HD21      ASN  73  -7.716  26.744  -5.763
  539    H    MET  74           H        MET  74  -6.409  24.846  -2.809
  540    HA   MET  74           HA       MET  74  -8.528  25.817  -1.052
  541    HB2  MET  74           HB2      MET  74  -8.129  23.084  -2.331
  542    HB3  MET  74           HB3      MET  74  -9.569  23.629  -1.475
  543    HG2  MET  74           HG2      MET  74  -9.877  25.455  -3.124
  544    HG3  MET  74           HG3      MET  74  -8.447  24.905  -3.994
  545    HE1  MET  74           HE1      MET  74 -11.503  22.782  -2.410
  546    HE2  MET  74           HE2      MET  74 -12.188  24.264  -3.118
  547    HE3  MET  74           HE3      MET  74 -12.518  22.685  -3.862
  548    H    PHE  75           H        PHE  75  -5.493  24.553  -0.319
  549    HA   PHE  75           HA       PHE  75  -6.460  23.327   2.232
  550    HB2  PHE  75           HB2      PHE  75  -4.266  22.348   0.375
  551    HB3  PHE  75           HB3      PHE  75  -4.633  21.688   1.962
  552    HD1  PHE  75           HD2      PHE  75  -5.874  22.005  -1.531
  553    HD2  PHE  75           HD1      PHE  75  -6.553  20.237   2.345
  554    HE1  PHE  75           HE2      PHE  75  -7.542  20.465  -2.526
  555    HE2  PHE  75           HE1      PHE  75  -8.222  18.697   1.344
  556    HZ   PHE  75           HZ       PHE  75  -8.719  18.805  -1.092
  557    H    ASP  76           H        ASP  76  -4.034  25.351   0.617
  558    HA   ASP  76           HA       ASP  76  -2.210  25.763   2.712
  559    HB2  ASP  76           HB2      ASP  76  -1.898  26.527   0.408
  560    HB3  ASP  76           HB3      ASP  76  -3.248  27.652   0.571
  561    H    VAL  77           H        VAL  77  -5.527  26.697   2.565
  562    HA   VAL  77           HA       VAL  77  -5.563  28.844   4.440
  563    HB   VAL  77           HB       VAL  77  -7.957  28.171   4.716
  564   HG11  VAL  77          HG11      VAL  77  -7.238  29.714   2.922
  565   HG12  VAL  77          HG12      VAL  77  -7.030  28.343   1.813
  566   HG13  VAL  77          HG13      VAL  77  -8.638  28.743   2.444
  567   HG21  VAL  77          HG21      VAL  77  -7.366  25.987   2.659
  568   HG22  VAL  77          HG22      VAL  77  -7.692  25.696   4.379
  569   HG23  VAL  77          HG23      VAL  77  -8.936  26.417   3.352
  570    H    GLU  78           H        GLU  78  -4.590  25.585   4.947
  571    HA   GLU  78           HA       GLU  78  -4.833  25.942   7.880
  572    HB2  GLU  78           HB2      GLU  78  -5.462  23.451   6.230
  573    HB3  GLU  78           HB3      GLU  78  -5.121  23.404   7.959
  574    HG2  GLU  78           HG2      GLU  78  -7.017  24.966   8.378
  575    HG3  GLU  78           HG3      GLU  78  -7.412  24.934   6.659
  576    HA   PRO  79           HA       PRO  79  -0.522  25.184   7.604
  577    HB2  PRO  79           HB2      PRO  79   0.151  24.160  10.055
  578    HB3  PRO  79           HB3      PRO  79  -0.436  25.833   9.820
  579    HG2  PRO  79           HG2      PRO  79  -2.054  23.396  10.635
  580    HG3  PRO  79           HG3      PRO  79  -2.011  25.007  11.424
  581    HD2  PRO  79           HD2      PRO  79  -3.957  24.350   9.652
  582    HD3  PRO  79           HD3      PRO  79  -3.260  25.997   9.677
  583    H    ASP  80           H        ASP  80  -2.623  22.490   7.653
  584    HA   ASP  80           HA       ASP  80  -0.953  20.308   8.147
  585    HB2  ASP  80           HB2      ASP  80  -3.376  20.128   7.940
  586    HB3  ASP  80           HB3      ASP  80  -3.297  20.554   6.227
  587    H    VAL  81           H        VAL  81  -1.454  22.030   5.000
  588    HA   VAL  81           HA       VAL  81   0.344  20.230   3.610
  589    HB   VAL  81           HB       VAL  81   0.261  21.855   1.771
  590   HG11  VAL  81          HG11      VAL  81  -1.446  20.087   2.024
  591   HG12  VAL  81          HG12      VAL  81  -2.481  21.210   2.931
  592   HG13  VAL  81          HG13      VAL  81  -2.085  21.530   1.225
  593   HG21  VAL  81          HG21      VAL  81   0.071  23.979   3.017
  594   HG22  VAL  81          HG22      VAL  81  -1.226  23.791   1.835
  595   HG23  VAL  81          HG23      VAL  81  -1.565  23.529   3.557
  596    H    GLY  82           H        GLY  82   0.795  23.162   5.534
  597    HA2  GLY  82           HA2      GLY  82   3.463  23.813   4.686
  598    HA3  GLY  82           HA3      GLY  82   2.704  24.203   6.246
  599    H    ALA  83           H        ALA  83   2.100  21.759   7.303
  600    HA   ALA  83           HA       ALA  83   4.605  20.725   8.214
  601    HB1  ALA  83           HB1      ALA  83   1.795  19.590   8.529
  602    HB2  ALA  83           HB2      ALA  83   3.217  19.179   9.509
  603    HB3  ALA  83           HB3      ALA  83   2.538  20.816   9.585
  604    H    LEU  84           H        LEU  84   2.982  20.022   5.293
  605    HA   LEU  84           HA       LEU  84   4.150  17.287   5.110
  606    HB2  LEU  84           HB2      LEU  84   1.817  17.515   4.415
  607    HB3  LEU  84           HB3      LEU  84   2.230  18.846   3.337
  608    HG   LEU  84           HG       LEU  84   3.555  17.342   1.904
  609   HD11  LEU  84          HD11      LEU  84   3.396  14.877   2.216
  610   HD12  LEU  84          HD12      LEU  84   4.293  15.643   3.527
  611   HD13  LEU  84          HD13      LEU  84   2.612  15.136   3.790
  612   HD21  LEU  84          HD21      LEU  84   0.737  16.330   2.466
  613   HD22  LEU  84          HD22      LEU  84   1.168  17.719   1.444
  614   HD23  LEU  84          HD23      LEU  84   1.662  16.090   0.966
  615    H    LEU  85           H        LEU  85   4.237  20.552   3.618
  616    HA   LEU  85           HA       LEU  85   6.203  19.907   1.612
  617    HB2  LEU  85           HB2      LEU  85   4.677  21.819   1.408
  618    HB3  LEU  85           HB3      LEU  85   5.293  22.516   2.906
  619    HG   LEU  85           HG       LEU  85   7.508  22.891   1.852
  620   HD11  LEU  85          HD11      LEU  85   6.174  21.849  -0.691
  621   HD12  LEU  85          HD12      LEU  85   7.748  22.674  -0.612
  622   HD13  LEU  85          HD13      LEU  85   7.546  21.102   0.159
  623   HD21  LEU  85          HD21      LEU  85   6.816  24.719   0.378
  624   HD22  LEU  85          HD22      LEU  85   5.174  24.041   0.276
  625   HD23  LEU  85          HD23      LEU  85   5.801  24.649   1.824
  626    H    TYR  86           H        TYR  86   6.269  21.161   4.924
  627    HA   TYR  86           HA       TYR  86   9.152  20.705   5.257
  628    HB2  TYR  86           HB2      TYR  86   8.765  23.012   4.206
  629    HB3  TYR  86           HB3      TYR  86   7.829  23.437   5.627
  630    HD1  TYR  86           HD2      TYR  86  11.199  21.985   4.714
  631    HD2  TYR  86           HD1      TYR  86   8.993  24.664   7.286
  632    HE1  TYR  86           HE2      TYR  86  13.314  22.697   5.779
  633    HE2  TYR  86           HE1      TYR  86  11.099  25.377   8.359
  634    HH   TYR  86           HH       TYR  86  13.418  25.135   8.428
  635    H    GLY  87           H        GLY  87   9.175  22.168   7.759
  636    HA2  GLY  87           HA2      GLY  87   8.329  22.345   9.871
  637    HA3  GLY  87           HA3      GLY  87   6.784  21.735   9.257
  638    H    GLU  88           H        GLU  88   6.834  19.334   8.696
  639    HA   GLU  88           HA       GLU  88   8.345  17.684  10.668
  640    HB2  GLU  88           HB2      GLU  88   5.329  17.814  10.281
  641    HB3  GLU  88           HB3      GLU  88   6.163  16.506  11.134
  642    HG2  GLU  88           HG2      GLU  88   7.019  18.088  12.805
  643    HG3  GLU  88           HG3      GLU  88   6.235  19.431  11.964
  644    H    GLU  89           H        GLU  89   6.848  18.042   7.506
  645    HA   GLU  89           HA       GLU  89   6.448  16.734   5.789
  646    HB2  GLU  89           HB2      GLU  89   8.925  16.842   5.752
  647    HB3  GLU  89           HB3      GLU  89   8.991  15.265   6.546
  648    HG2  GLU  89           HG2      GLU  89   7.711  14.299   4.591
  649    HG3  GLU  89           HG3      GLU  89   7.720  15.888   3.839
  650    H    LYS  90           H        LYS  90   4.615  16.170   7.315
  651    HA   LYS  90           HA       LYS  90   4.391  13.811   8.764
  652    HB2  LYS  90           HB2      LYS  90   2.163  15.005   7.064
  653    HB3  LYS  90           HB3      LYS  90   1.972  13.924   8.433
  654    HG2  LYS  90           HG2      LYS  90   2.854  16.819   8.452
  655    HG3  LYS  90           HG3      LYS  90   1.398  16.141   9.144
  656    HD2  LYS  90           HD2      LYS  90   4.224  15.596  10.148
  657    HD3  LYS  90           HD3      LYS  90   3.113  16.790  10.821
  658    HE2  LYS  90           HE2      LYS  90   1.550  15.083  11.509
  659    HE3  LYS  90           HE3      LYS  90   2.478  13.812  10.699
  660    HZ1  LYS  90           HZ1      LYS  90   4.213  14.059  12.266
  661    HZ2  LYS  90           HZ2      LYS  90   3.641  15.464  12.870
  662    HZ3  LYS  90           HZ3      LYS  90   2.850  14.046  13.159
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -6.926   8.142   0.022
    2    H2   MET   1           H2       MET   1  -7.380   9.579  -0.608
    3    H3   MET   1           H3       MET   1  -8.188   8.209  -1.017
    4    HA   MET   1           HA       MET   1  -6.234   7.328  -2.122
    5    HB2  MET   1           HB2      MET   1  -7.193  10.070  -3.045
    6    HB3  MET   1           HB3      MET   1  -6.024   9.119  -3.955
    7    HG2  MET   1           HG2      MET   1  -8.813   8.149  -3.226
    8    HG3  MET   1           HG3      MET   1  -8.342   8.853  -4.765
    9    HE1  MET   1           HE1      MET   1  -8.924   5.113  -5.740
   10    HE2  MET   1           HE2      MET   1  -9.836   6.067  -4.549
   11    HE3  MET   1           HE3      MET   1  -9.333   6.807  -6.087
   12    H    CYS   2           H        CYS   2  -4.083   7.129  -1.697
   13    HA   CYS   2           HA       CYS   2  -2.496   9.340  -0.631
   14    HB2  CYS   2           HB2      CYS   2  -1.590   6.662  -1.795
   15    HB3  CYS   2           HB3      CYS   2  -0.639   7.756  -0.788
   16    HG   CYS   2           HG       CYS   2  -1.305   5.648   0.606
   17    H    ILE   3           H        ILE   3  -0.747  10.316  -1.771
   18    HA   ILE   3           HA       ILE   3   0.015  11.571  -3.455
   19    HB   ILE   3           HB       ILE   3   1.357  10.319  -5.064
   20   HG12  ILE   3          HG12      ILE   3   0.197   7.755  -3.876
   21   HG13  ILE   3          HG13      ILE   3  -0.238   8.389  -5.463
   22   HG21  ILE   3          HG21      ILE   3   1.517   9.136  -2.258
   23   HG22  ILE   3          HG22      ILE   3   2.846   9.380  -3.408
   24   HG23  ILE   3          HG23      ILE   3   2.045  10.776  -2.700
   25   HD11  ILE   3          HD11      ILE   3   1.448   6.663  -5.717
   26   HD12  ILE   3          HD12      ILE   3   2.144   8.228  -6.180
   27   HD13  ILE   3          HD13      ILE   3   2.544   7.486  -4.609
   28    H    GLY   4           H        GLY   4  -2.550  11.920  -3.647
   29    HA2  GLY   4           HA2      GLY   4  -3.597  11.359  -6.322
   30    HA3  GLY   4           HA3      GLY   4  -4.388  12.259  -5.020
   31    H    VAL   5           H        VAL   5  -1.623  12.482  -7.341
   32    HA   VAL   5           HA       VAL   5  -1.972  15.428  -7.486
   33    HB   VAL   5           HB       VAL   5   0.692  14.026  -6.979
   34   HG11  VAL   5          HG11      VAL   5  -0.030  16.994  -6.973
   35   HG12  VAL   5          HG12      VAL   5   1.558  16.310  -6.576
   36   HG13  VAL   5          HG13      VAL   5   0.925  16.157  -8.210
   37   HG21  VAL   5          HG21      VAL   5  -0.540  13.886  -4.886
   38   HG22  VAL   5          HG22      VAL   5   0.676  15.147  -4.738
   39   HG23  VAL   5          HG23      VAL   5  -1.024  15.591  -5.009
   40    HA   PRO   6           HA       PRO   6  -1.092  14.147 -11.745
   41    HB2  PRO   6           HB2      PRO   6  -1.016  16.552 -13.022
   42    HB3  PRO   6           HB3      PRO   6  -2.540  15.868 -12.371
   43    HG2  PRO   6           HG2      PRO   6  -0.704  17.904 -11.077
   44    HG3  PRO   6           HG3      PRO   6  -2.485  17.984 -11.272
   45    HD2  PRO   6           HD2      PRO   6  -1.293  17.129  -8.963
   46    HD3  PRO   6           HD3      PRO   6  -2.842  16.443  -9.536
   47    H    GLY   7           H        GLY   7   0.608  14.478 -13.439
   48    HA2  GLY   7           HA2      GLY   7   2.932  16.092 -12.950
   49    HA3  GLY   7           HA3      GLY   7   3.233  14.392 -12.566
   50    H    GLN   8           H        GLN   8   4.789  14.921 -14.505
   51    HA   GLN   8           HA       GLN   8   3.378  14.470 -17.107
   52    HB2  GLN   8           HB2      GLN   8   4.441  16.720 -16.806
   53    HB3  GLN   8           HB3      GLN   8   6.011  15.915 -16.655
   54    HG2  GLN   8           HG2      GLN   8   5.778  15.009 -18.948
   55    HG3  GLN   8           HG3      GLN   8   4.136  15.658 -19.046
   56   HE21  GLN   8          HE22      GLN   8   4.653  16.902 -20.931
   57   HE22  GLN   8          HE21      GLN   8   5.612  18.366 -20.814
   58    H    ILE   9           H        ILE   9   3.964  12.680 -18.256
   59    HA   ILE   9           HA       ILE   9   5.604  10.661 -16.988
   60    HB   ILE   9           HB       ILE   9   4.389  10.877 -19.776
   61   HG12  ILE   9          HG12      ILE   9   3.467   9.338 -17.299
   62   HG13  ILE   9          HG13      ILE   9   2.752  10.840 -17.884
   63   HG21  ILE   9          HG21      ILE   9   4.799   8.449 -19.971
   64   HG22  ILE   9          HG22      ILE   9   6.322   9.289 -19.758
   65   HG23  ILE   9          HG23      ILE   9   5.597   8.438 -18.384
   66   HD11  ILE   9          HD11      ILE   9   2.088   9.736 -19.989
   67   HD12  ILE   9          HD12      ILE   9   2.684   8.181 -19.346
   68   HD13  ILE   9          HD13      ILE   9   1.347   9.016 -18.549
   69    H    ARG  10           H        ARG  10   7.820  10.645 -17.012
   70    HA   ARG  10           HA       ARG  10   9.200  11.930 -19.349
   71    HB2  ARG  10           HB2      ARG  10  10.049  11.872 -16.443
   72    HB3  ARG  10           HB3      ARG  10  11.069  12.349 -17.806
   73    HG2  ARG  10           HG2      ARG  10   8.980  13.945 -18.358
   74    HG3  ARG  10           HG3      ARG  10   8.685  13.772 -16.627
   75    HD2  ARG  10           HD2      ARG  10  11.280  14.683 -17.944
   76    HD3  ARG  10           HD3      ARG  10  10.064  15.757 -17.263
   77    HE   ARG  10           HE       ARG  10  10.611  15.112 -15.060
   78   HH11  ARG  10          HH11      ARG  10  12.892  13.637 -17.375
   79   HH12  ARG  10          HH12      ARG  10  14.057  13.282 -16.156
   80   HH21  ARG  10          HH21      ARG  10  12.068  14.712 -13.555
   81   HH22  ARG  10          HH22      ARG  10  13.602  13.930 -13.887
   82    H    THR  11           H        THR  11   8.668   8.881 -17.812
   83    HA   THR  11           HA       THR  11  10.488   7.697 -19.743
   84    HB   THR  11           HB       THR  11  10.749   6.635 -16.938
   85    HG1  THR  11           HG1      THR  11  12.273   8.814 -17.909
   86   HG21  THR  11          HG21      THR  11  13.023   6.028 -17.688
   87   HG22  THR  11          HG22      THR  11  11.772   5.353 -18.740
   88   HG23  THR  11          HG23      THR  11  12.699   6.775 -19.269
   89    H    ILE  12           H        ILE  12   9.852   5.451 -20.124
   90    HA   ILE  12           HA       ILE  12   7.540   4.394 -18.643
   91    HB   ILE  12           HB       ILE  12   7.683   4.517 -21.682
   92   HG12  ILE  12          HG12      ILE  12   5.787   5.865 -19.703
   93   HG13  ILE  12          HG13      ILE  12   6.955   6.659 -20.754
   94   HG21  ILE  12          HG21      ILE  12   5.572   3.235 -19.879
   95   HG22  ILE  12          HG22      ILE  12   5.518   3.323 -21.654
   96   HG23  ILE  12          HG23      ILE  12   6.753   2.360 -20.887
   97   HD11  ILE  12          HD11      ILE  12   4.376   5.303 -21.575
   98   HD12  ILE  12          HD12      ILE  12   4.860   6.991 -21.775
   99   HD13  ILE  12          HD13      ILE  12   5.653   5.735 -22.740
  100    H    ASP  13           H        ASP  13   7.775   2.199 -18.313
  101    HA   ASP  13           HA       ASP  13  10.414   1.041 -19.087
  102    HB2  ASP  13           HB2      ASP  13   9.996   1.394 -16.701
  103    HB3  ASP  13           HB3      ASP  13   8.511   0.444 -16.796
  104    H    GLY  14           H        GLY  14   6.962   0.538 -19.444
  105    HA2  GLY  14           HA2      GLY  14   7.117  -1.228 -21.561
  106    HA3  GLY  14           HA3      GLY  14   7.003  -2.277 -20.133
  107    H    ASN  15           H        ASN  15   5.271  -1.473 -18.482
  108    HA   ASN  15           HA       ASN  15   3.089   0.118 -19.599
  109    HB2  ASN  15           HB2      ASN  15   2.471  -2.226 -20.199
  110    HB3  ASN  15           HB3      ASN  15   2.529  -2.656 -18.483
  111   HD21  ASN  15          HD22      ASN  15   1.082   0.093 -20.431
  112   HD22  ASN  15          HD21      ASN  15  -0.466   0.021 -19.595
  113    H    GLN  16           H        GLN  16   5.170   0.509 -17.742
  114    HA   GLN  16           HA       GLN  16   3.612   1.661 -15.586
  115    HB2  GLN  16           HB2      GLN  16   6.207   0.122 -15.057
  116    HB3  GLN  16           HB3      GLN  16   5.290   1.085 -13.892
  117    HG2  GLN  16           HG2      GLN  16   3.321  -0.522 -14.382
  118    HG3  GLN  16           HG3      GLN  16   4.504  -1.573 -15.148
  119   HE21  GLN  16          HE22      GLN  16   2.787  -1.687 -12.556
  120   HE22  GLN  16          HE21      GLN  16   3.953  -2.084 -11.296
  121    H    ALA  17           H        ALA  17   4.888   3.565 -14.797
  122    HA   ALA  17           HA       ALA  17   6.903   4.553 -16.724
  123    HB1  ALA  17           HB1      ALA  17   5.526   6.530 -17.218
  124    HB2  ALA  17           HB2      ALA  17   4.631   5.074 -17.675
  125    HB3  ALA  17           HB3      ALA  17   4.240   5.938 -16.164
  126    H    LYS  18           H        LYS  18   7.648   6.742 -16.074
  127    HA   LYS  18           HA       LYS  18   7.699   6.998 -13.092
  128    HB2  LYS  18           HB2      LYS  18   9.955   7.461 -15.062
  129    HB3  LYS  18           HB3      LYS  18   9.995   7.839 -13.335
  130    HG2  LYS  18           HG2      LYS  18   9.566   5.430 -12.815
  131    HG3  LYS  18           HG3      LYS  18   9.659   5.064 -14.551
  132    HD2  LYS  18           HD2      LYS  18  11.981   5.963 -14.605
  133    HD3  LYS  18           HD3      LYS  18  11.881   6.291 -12.859
  134    HE2  LYS  18           HE2      LYS  18  11.471   3.871 -12.437
  135    HE3  LYS  18           HE3      LYS  18  11.588   3.547 -14.170
  136    HZ1  LYS  18           HZ1      LYS  18  13.895   4.306 -14.088
  137    HZ2  LYS  18           HZ2      LYS  18  13.785   4.606 -12.484
  138    HZ3  LYS  18           HZ3      LYS  18  13.667   3.081 -13.041
  139    H    VAL  19           H        VAL  19   5.980   8.383 -13.070
  140    HA   VAL  19           HA       VAL  19   5.820  10.715 -14.816
  141    HB   VAL  19           HB       VAL  19   3.788   9.591 -14.059
  142   HG11  VAL  19          HG11      VAL  19   2.973   9.698 -11.751
  143   HG12  VAL  19          HG12      VAL  19   4.470   8.767 -11.832
  144   HG13  VAL  19          HG13      VAL  19   4.491  10.421 -11.213
  145   HG21  VAL  19          HG21      VAL  19   2.544  11.564 -13.251
  146   HG22  VAL  19          HG22      VAL  19   4.074  12.371 -12.870
  147   HG23  VAL  19          HG23      VAL  19   3.668  11.971 -14.558
  148    H    ASP  20           H        ASP  20   6.696  12.697 -14.364
  149    HA   ASP  20           HA       ASP  20   8.240  13.074 -11.874
  150    HB2  ASP  20           HB2      ASP  20   9.115  13.750 -14.129
  151    HB3  ASP  20           HB3      ASP  20   7.829  14.952 -14.240
  152    H    VAL  21           H        VAL  21   7.055  13.629 -10.151
  153    HA   VAL  21           HA       VAL  21   4.390  14.820 -10.496
  154    HB   VAL  21           HB       VAL  21   5.749  13.842  -7.951
  155   HG11  VAL  21          HG11      VAL  21   3.429  13.652  -7.108
  156   HG12  VAL  21          HG12      VAL  21   3.759  15.319  -7.581
  157   HG13  VAL  21          HG13      VAL  21   2.799  14.277  -8.648
  158   HG21  VAL  21          HG21      VAL  21   3.915  12.361  -9.893
  159   HG22  VAL  21          HG22      VAL  21   5.600  11.946  -9.503
  160   HG23  VAL  21          HG23      VAL  21   4.346  11.781  -8.273
  161    H    CYS  22           H        CYS  22   5.756  16.614 -11.478
  162    HA   CYS  22           HA       CYS  22   6.591  18.697 -11.494
  163    HB2  CYS  22           HB2      CYS  22   4.766  19.053  -9.085
  164    HB3  CYS  22           HB3      CYS  22   5.351  20.330 -10.161
  165    HG   CYS  22           HG       CYS  22   2.842  19.862 -10.667
  166    H    GLY  23           H        GLY  23   8.471  17.025 -10.317
  167    HA2  GLY  23           HA2      GLY  23  10.288  18.812  -9.338
  168    HA3  GLY  23           HA3      GLY  23   9.546  18.166  -7.863
  169    H    ILE  24           H        ILE  24   9.100  15.491  -8.518
  170    HA   ILE  24           HA       ILE  24  11.786  14.371  -9.098
  171    HB   ILE  24           HB       ILE  24  10.129  13.642  -6.650
  172   HG12  ILE  24          HG12      ILE  24  11.013  15.948  -6.296
  173   HG13  ILE  24          HG13      ILE  24  11.591  14.756  -5.162
  174   HG21  ILE  24          HG21      ILE  24  12.234  12.500  -5.912
  175   HG22  ILE  24          HG22      ILE  24  11.561  11.820  -7.391
  176   HG23  ILE  24          HG23      ILE  24  12.968  12.887  -7.482
  177   HD11  ILE  24          HD11      ILE  24  13.786  14.698  -6.149
  178   HD12  ILE  24          HD12      ILE  24  13.260  15.660  -7.543
  179   HD13  ILE  24          HD13      ILE  24  13.331  16.392  -5.928
  180    H    GLN  25           H        GLN  25  11.642  12.206  -9.895
  181    HA   GLN  25           HA       GLN  25   9.074  11.489 -11.045
  182    HB2  GLN  25           HB2      GLN  25  11.814  10.206 -11.151
  183    HB3  GLN  25           HB3      GLN  25  10.368   9.461 -11.842
  184    HG2  GLN  25           HG2      GLN  25   9.969  11.499 -13.226
  185    HG3  GLN  25           HG3      GLN  25  11.466  12.198 -12.610
  186   HE21  GLN  25          HE22      GLN  25  10.056   9.963 -14.923
  187   HE22  GLN  25          HE21      GLN  25  11.557   9.411 -15.633
  188    H    ARG  26           H        ARG  26   7.763   9.801 -10.579
  189    HA   ARG  26           HA       ARG  26   8.472   7.956  -8.344
  190    HB2  ARG  26           HB2      ARG  26   5.878   9.545  -8.673
  191    HB3  ARG  26           HB3      ARG  26   5.906   7.974  -7.892
  192    HG2  ARG  26           HG2      ARG  26   6.031   9.392  -6.095
  193    HG3  ARG  26           HG3      ARG  26   7.695   8.870  -6.317
  194    HD2  ARG  26           HD2      ARG  26   8.081  11.112  -7.552
  195    HD3  ARG  26           HD3      ARG  26   6.446  11.544  -7.083
  196    HE   ARG  26           HE       ARG  26   7.140  11.946  -4.952
  197   HH11  ARG  26          HH11      ARG  26   9.771  10.174  -6.606
  198   HH12  ARG  26          HH12      ARG  26  10.814  10.204  -5.229
  199   HH21  ARG  26          HH21      ARG  26   8.605  12.088  -3.191
  200   HH22  ARG  26          HH22      ARG  26  10.170  11.382  -3.287
  201    H    ASP  27           H        ASP  27   7.880   5.842  -8.775
  202    HA   ASP  27           HA       ASP  27   7.208   5.116 -11.511
  203    HB2  ASP  27           HB2      ASP  27   8.704   3.711 -10.189
  204    HB3  ASP  27           HB3      ASP  27   7.463   3.489  -8.952
  205    H    VAL  28           H        VAL  28   5.182   4.578 -12.293
  206    HA   VAL  28           HA       VAL  28   2.952   4.025 -10.454
  207    HB   VAL  28           HB       VAL  28   1.462   5.522 -11.772
  208   HG11  VAL  28          HG11      VAL  28   2.024   7.575 -10.633
  209   HG12  VAL  28          HG12      VAL  28   2.378   6.213  -9.570
  210   HG13  VAL  28          HG13      VAL  28   3.700   7.055 -10.397
  211   HG21  VAL  28          HG21      VAL  28   2.373   7.352 -13.133
  212   HG22  VAL  28          HG22      VAL  28   4.021   6.726 -12.922
  213   HG23  VAL  28          HG23      VAL  28   2.818   5.792 -13.826
  214    H    ASP  29           H        ASP  29   1.219   2.897 -11.510
  215    HA   ASP  29           HA       ASP  29   2.170   1.228 -13.756
  216    HB2  ASP  29           HB2      ASP  29   1.440   0.234 -11.599
  217    HB3  ASP  29           HB3      ASP  29  -0.165   0.929 -11.836
  218    H    LEU  30           H        LEU  30   0.999   0.973 -15.688
  219    HA   LEU  30           HA       LEU  30  -0.981   3.131 -16.252
  220    HB2  LEU  30           HB2      LEU  30   1.536   2.267 -17.642
  221    HB3  LEU  30           HB3      LEU  30   0.183   2.667 -18.670
  222    HG   LEU  30           HG       LEU  30  -0.030   4.889 -17.599
  223   HD11  LEU  30          HD11      LEU  30   1.898   5.771 -16.301
  224   HD12  LEU  30          HD12      LEU  30   0.980   4.559 -15.425
  225   HD13  LEU  30          HD13      LEU  30   2.533   4.110 -16.158
  226   HD21  LEU  30          HD21      LEU  30   1.180   4.607 -19.696
  227   HD22  LEU  30          HD22      LEU  30   1.979   5.834 -18.707
  228   HD23  LEU  30          HD23      LEU  30   2.675   4.200 -18.823
  229    H    THR  31           H        THR  31  -1.281   0.012 -15.584
  230    HA   THR  31           HA       THR  31  -2.340  -1.247 -17.864
  231    HB   THR  31           HB       THR  31  -3.876  -2.391 -16.134
  232    HG1  THR  31           HG1      THR  31  -2.151  -1.064 -14.322
  233   HG21  THR  31          HG21      THR  31  -0.862  -2.479 -15.741
  234   HG22  THR  31          HG22      THR  31  -2.023  -3.668 -15.104
  235   HG23  THR  31          HG23      THR  31  -1.832  -3.461 -16.852
  236    H    LEU  32           H        LEU  32  -3.816   1.248 -15.837
  237    HA   LEU  32           HA       LEU  32  -6.479   0.878 -16.870
  238    HB2  LEU  32           HB2      LEU  32  -5.258   3.216 -15.364
  239    HB3  LEU  32           HB3      LEU  32  -6.979   2.944 -15.606
  240    HG   LEU  32           HG       LEU  32  -5.094   1.211 -13.954
  241   HD11  LEU  32          HD11      LEU  32  -5.712   3.360 -12.912
  242   HD12  LEU  32          HD12      LEU  32  -7.431   2.981 -13.127
  243   HD13  LEU  32          HD13      LEU  32  -6.422   1.991 -12.048
  244   HD21  LEU  32          HD21      LEU  32  -8.078   0.858 -14.486
  245   HD22  LEU  32          HD22      LEU  32  -6.773  -0.260 -14.948
  246   HD23  LEU  32          HD23      LEU  32  -7.150  -0.013 -13.245
  247    H    VAL  33           H        VAL  33  -3.763   2.432 -18.330
  248    HA   VAL  33           HA       VAL  33  -5.579   4.060 -20.056
  249    HB   VAL  33           HB       VAL  33  -3.991   5.913 -19.966
  250   HG11  VAL  33          HG11      VAL  33  -4.904   5.158 -17.156
  251   HG12  VAL  33          HG12      VAL  33  -4.540   6.780 -17.761
  252   HG13  VAL  33          HG13      VAL  33  -5.929   5.891 -18.410
  253   HG21  VAL  33          HG21      VAL  33  -2.560   4.383 -17.749
  254   HG22  VAL  33          HG22      VAL  33  -1.913   4.703 -19.373
  255   HG23  VAL  33          HG23      VAL  33  -2.227   6.048 -18.276
  256    H    GLY  34           H        GLY  34  -2.814   1.933 -19.905
  257    HA2  GLY  34           HA2      GLY  34  -1.830   0.824 -21.670
  258    HA3  GLY  34           HA3      GLY  34  -2.648   1.868 -22.838
  259    H    SER  35           H        SER  35   0.217   1.096 -22.623
  260    HA   SER  35           HA       SER  35   1.760   3.232 -21.566
  261    HB2  SER  35           HB2      SER  35   2.611   1.262 -23.708
  262    HB3  SER  35           HB3      SER  35   3.590   1.984 -22.416
  263    HG   SER  35           HG       SER  35   3.108  -0.061 -21.827
  264    H    CYS  36           H        CYS  36  -0.022   3.077 -24.503
  265    HA   CYS  36           HA       CYS  36   1.733   5.089 -25.813
  266    HB2  CYS  36           HB2      CYS  36   0.224   2.774 -27.094
  267    HB3  CYS  36           HB3      CYS  36   1.079   4.056 -27.965
  268    HG   CYS  36           HG       CYS  36   2.501   1.851 -28.011
  269    H    ASP  37           H        ASP  37   0.797   6.637 -26.924
  270    HA   ASP  37           HA       ASP  37  -1.893   7.577 -26.303
  271    HB2  ASP  37           HB2      ASP  37   0.070   9.075 -26.503
  272    HB3  ASP  37           HB3      ASP  37   0.358   8.476 -28.134
  273    H    GLU  38           H        GLU  38  -3.471   7.978 -27.998
  274    HA   GLU  38           HA       GLU  38  -4.046   5.746 -29.561
  275    HB2  GLU  38           HB2      GLU  38  -5.586   7.544 -28.617
  276    HB3  GLU  38           HB3      GLU  38  -5.083   8.586 -29.944
  277    HG2  GLU  38           HG2      GLU  38  -7.209   7.610 -30.481
  278    HG3  GLU  38           HG3      GLU  38  -6.020   6.923 -31.569
  279    H    ASN  39           H        ASN  39  -2.105   8.573 -30.428
  280    HA   ASN  39           HA       ASN  39  -2.182   8.348 -33.271
  281    HB2  ASN  39           HB2      ASN  39  -1.287  10.302 -32.076
  282    HB3  ASN  39           HB3      ASN  39  -0.022   9.297 -31.368
  283   HD21  ASN  39          HD22      ASN  39  -1.232  10.529 -34.513
  284   HD22  ASN  39          HD21      ASN  39   0.325  10.488 -35.302
  285    H    GLY  40           H        GLY  40  -0.650   6.270 -30.880
  286    HA2  GLY  40           HA2      GLY  40   0.384   4.215 -31.332
  287    HA3  GLY  40           HA3      GLY  40   0.670   4.682 -33.016
  288    H    GLN  41           H        GLN  41   1.430   6.221 -29.840
  289    HA   GLN  41           HA       GLN  41   4.323   6.107 -30.336
  290    HB2  GLN  41           HB2      GLN  41   4.586   8.519 -29.930
  291    HB3  GLN  41           HB3      GLN  41   3.593   8.241 -31.364
  292    HG2  GLN  41           HG2      GLN  41   1.550   8.613 -29.962
  293    HG3  GLN  41           HG3      GLN  41   2.584   9.031 -28.594
  294   HE21  GLN  41          HE22      GLN  41   0.524  10.741 -29.730
  295   HE22  GLN  41          HE21      GLN  41   1.366  12.154 -30.334
  296    HA   PRO  42           HA       PRO  42   3.948   5.338 -25.936
  297    HB2  PRO  42           HB2      PRO  42   6.353   6.187 -24.917
  298    HB3  PRO  42           HB3      PRO  42   6.160   4.699 -25.888
  299    HG2  PRO  42           HG2      PRO  42   7.066   7.437 -26.826
  300    HG3  PRO  42           HG3      PRO  42   7.815   5.844 -27.169
  301    HD2  PRO  42           HD2      PRO  42   6.130   7.060 -28.933
  302    HD3  PRO  42           HD3      PRO  42   6.124   5.283 -28.721
  303    H    ARG  43           H        ARG  43   3.309   6.485 -24.029
  304    HA   ARG  43           HA       ARG  43   2.384   9.149 -24.503
  305    HB2  ARG  43           HB2      ARG  43   2.400   7.495 -21.937
  306    HB3  ARG  43           HB3      ARG  43   1.535   9.018 -22.167
  307    HG2  ARG  43           HG2      ARG  43   0.279   7.957 -24.085
  308    HG3  ARG  43           HG3      ARG  43   0.969   6.409 -23.585
  309    HD2  ARG  43           HD2      ARG  43   0.040   6.718 -21.305
  310    HD3  ARG  43           HD3      ARG  43  -0.667   8.264 -21.792
  311    HE   ARG  43           HE       ARG  43  -1.618   5.575 -22.337
  312   HH11  ARG  43          HH11      ARG  43  -1.725   8.933 -23.594
  313   HH12  ARG  43          HH12      ARG  43  -3.300   8.752 -24.284
  314   HH21  ARG  43          HH21      ARG  43  -3.730   5.393 -23.167
  315   HH22  ARG  43          HH22      ARG  43  -4.446   6.668 -24.097
  316    H    VAL  44           H        VAL  44   5.430   8.934 -24.381
  317    HA   VAL  44           HA       VAL  44   6.289  10.163 -21.891
  318    HB   VAL  44           HB       VAL  44   7.659   9.936 -24.606
  319   HG11  VAL  44          HG11      VAL  44   8.803  10.776 -21.894
  320   HG12  VAL  44          HG12      VAL  44   9.757  10.431 -23.352
  321   HG13  VAL  44          HG13      VAL  44   8.652  11.804 -23.337
  322   HG21  VAL  44          HG21      VAL  44   8.057   8.353 -22.021
  323   HG22  VAL  44          HG22      VAL  44   7.258   7.740 -23.481
  324   HG23  VAL  44          HG23      VAL  44   8.972   8.145 -23.528
  325    H    GLY  45           H        GLY  45   6.331  12.299 -21.368
  326    HA2  GLY  45           HA2      GLY  45   6.301  14.581 -21.663
  327    HA3  GLY  45           HA3      GLY  45   5.929  14.391 -23.382
  328    H    GLN  46           H        GLN  46   3.632  12.369 -22.214
  329    HA   GLN  46           HA       GLN  46   1.579  14.448 -22.231
  330    HB2  GLN  46           HB2      GLN  46   1.343  11.456 -21.651
  331    HB3  GLN  46           HB3      GLN  46   0.006  12.597 -21.846
  332    HG2  GLN  46           HG2      GLN  46   0.965  13.181 -24.124
  333    HG3  GLN  46           HG3      GLN  46   2.036  11.791 -23.973
  334   HE21  GLN  46          HE22      GLN  46   0.047  12.267 -26.001
  335   HE22  GLN  46          HE21      GLN  46  -1.167  11.005 -25.907
  336    H    TRP  47           H        TRP  47   0.182  14.918 -20.459
  337    HA   TRP  47           HA       TRP  47   1.457  14.632 -17.803
  338    HB2  TRP  47           HB2      TRP  47  -0.847  16.327 -18.801
  339    HB3  TRP  47           HB3      TRP  47  -0.457  16.103 -17.097
  340    HD1  TRP  47           HD1      TRP  47   1.191  17.530 -20.281
  341    HE1  TRP  47           HE1      TRP  47   2.812  19.377 -19.619
  342    HE3  TRP  47           HE3      TRP  47   0.884  17.055 -15.193
  343    HZ2  TRP  47           HZ2      TRP  47   3.913  20.481 -17.164
  344    HZ3  TRP  47           HZ3      TRP  47   2.225  18.523 -13.716
  345    HH2  TRP  47           HH2      TRP  47   3.740  20.240 -14.686
  346    H    VAL  48           H        VAL  48   0.288  13.679 -16.090
  347    HA   VAL  48           HA       VAL  48  -2.102  12.110 -16.756
  348    HB   VAL  48           HB       VAL  48  -0.202  10.710 -17.438
  349   HG11  VAL  48          HG11      VAL  48   1.390   9.774 -15.833
  350   HG12  VAL  48          HG12      VAL  48   1.559  11.535 -15.915
  351   HG13  VAL  48          HG13      VAL  48   0.722  10.786 -14.545
  352   HG21  VAL  48          HG21      VAL  48  -1.569   9.626 -14.955
  353   HG22  VAL  48          HG22      VAL  48  -2.223   9.619 -16.607
  354   HG23  VAL  48          HG23      VAL  48  -0.768   8.687 -16.234
  355    H    LEU  49           H        LEU  49  -3.367  11.799 -15.044
  356    HA   LEU  49           HA       LEU  49  -2.715  13.095 -12.460
  357    HB2  LEU  49           HB2      LEU  49  -4.866  13.666 -13.534
  358    HB3  LEU  49           HB3      LEU  49  -5.248  11.953 -13.722
  359    HG   LEU  49           HG       LEU  49  -5.312  11.690 -11.262
  360   HD11  LEU  49          HD11      LEU  49  -4.721  14.679 -11.290
  361   HD12  LEU  49          HD12      LEU  49  -5.444  13.860  -9.890
  362   HD13  LEU  49          HD13      LEU  49  -3.829  13.407 -10.438
  363   HD21  LEU  49          HD21      LEU  49  -7.317  12.119 -12.570
  364   HD22  LEU  49          HD22      LEU  49  -7.448  12.849 -10.958
  365   HD23  LEU  49          HD23      LEU  49  -7.103  13.877 -12.371
  366    H    VAL  50           H        VAL  50  -2.084  11.683 -10.758
  367    HA   VAL  50           HA       VAL  50  -2.688   8.802 -11.150
  368    HB   VAL  50           HB       VAL  50  -0.555   8.170 -10.316
  369   HG11  VAL  50          HG11      VAL  50   0.896   8.849 -12.146
  370   HG12  VAL  50          HG12      VAL  50  -0.739   8.703 -12.773
  371   HG13  VAL  50          HG13      VAL  50  -0.063  10.305 -12.442
  372   HG21  VAL  50          HG21      VAL  50   1.274   9.635  -9.764
  373   HG22  VAL  50          HG22      VAL  50   0.343  11.069 -10.203
  374   HG23  VAL  50          HG23      VAL  50  -0.102  10.118  -8.769
  375    H    HIS  51           H        HIS  51  -3.023   7.619  -9.246
  376    HA   HIS  51           HA       HIS  51  -3.080   8.979  -6.644
  377    HB2  HIS  51           HB2      HIS  51  -5.439   7.339  -7.677
  378    HB3  HIS  51           HB3      HIS  51  -5.243   7.964  -6.059
  379    HD1  HIS  51           HD1      HIS  51  -4.557  10.892  -8.141
  380    HD2  HIS  51           HD2      HIS  51  -7.912   8.600  -7.072
  381    HE1  HIS  51           HE1      HIS  51  -6.597  12.392  -8.489
  382    H    VAL  52           H        VAL  52  -2.647   7.350  -5.051
  383    HA   VAL  52           HA       VAL  52  -1.647   5.478  -4.282
  384    HB   VAL  52           HB       VAL  52  -3.184   3.560  -4.261
  385   HG11  VAL  52          HG11      VAL  52  -3.468   5.417  -2.711
  386   HG12  VAL  52          HG12      VAL  52  -4.528   6.259  -3.875
  387   HG13  VAL  52          HG13      VAL  52  -5.031   4.718  -3.151
  388   HG21  VAL  52          HG21      VAL  52  -4.097   3.725  -6.603
  389   HG22  VAL  52          HG22      VAL  52  -5.336   3.578  -5.347
  390   HG23  VAL  52          HG23      VAL  52  -5.027   5.152  -6.093
  391    H    GLY  53           H        GLY  53  -0.506   6.067  -6.903
  392    HA2  GLY  53           HA2      GLY  53   1.351   5.073  -7.874
  393    HA3  GLY  53           HA3      GLY  53   0.896   3.509  -7.203
  394    H    PHE  54           H        PHE  54  -1.717   5.093  -8.937
  395    HA   PHE  54           HA       PHE  54  -1.079   3.563 -11.426
  396    HB2  PHE  54           HB2      PHE  54  -3.678   3.719  -9.860
  397    HB3  PHE  54           HB3      PHE  54  -3.614   3.274 -11.553
  398    HD1  PHE  54           HD2      PHE  54  -2.556   2.211  -8.138
  399    HD2  PHE  54           HD1      PHE  54  -2.984   1.078 -12.281
  400    HE1  PHE  54           HE2      PHE  54  -2.142  -0.162  -7.536
  401    HE2  PHE  54           HE1      PHE  54  -2.584  -1.287 -11.675
  402    HZ   PHE  54           HZ       PHE  54  -2.156  -1.918  -9.303
  403    H    ALA  55           H        ALA  55  -1.624   4.553 -13.309
  404    HA   ALA  55           HA       ALA  55  -2.195   7.401 -13.412
  405    HB1  ALA  55           HB1      ALA  55  -0.883   6.329 -15.179
  406    HB2  ALA  55           HB2      ALA  55  -2.205   5.186 -15.510
  407    HB3  ALA  55           HB3      ALA  55  -2.419   6.911 -15.863
  408    H    MET  56           H        MET  56  -4.165   8.204 -12.881
  409    HA   MET  56           HA       MET  56  -6.527   6.416 -13.069
  410    HB2  MET  56           HB2      MET  56  -6.095   9.102 -11.700
  411    HB3  MET  56           HB3      MET  56  -7.654   8.273 -11.795
  412    HG2  MET  56           HG2      MET  56  -5.140   7.187 -10.476
  413    HG3  MET  56           HG3      MET  56  -6.572   7.820  -9.667
  414    HE1  MET  56           HE1      MET  56  -5.245   5.129  -8.889
  415    HE2  MET  56           HE2      MET  56  -6.792   5.546  -8.113
  416    HE3  MET  56           HE3      MET  56  -6.565   3.940  -8.832
  417    H    SER  57           H        SER  57  -5.291   9.516 -14.472
  418    HA   SER  57           HA       SER  57  -6.900   8.900 -16.833
  419    HB2  SER  57           HB2      SER  57  -7.264  11.527 -15.306
  420    HB3  SER  57           HB3      SER  57  -7.886  11.198 -16.930
  421    HG   SER  57           HG       SER  57  -8.576   9.254 -15.162
  422    H    VAL  58           H        VAL  58  -5.949   9.822 -18.696
  423    HA   VAL  58           HA       VAL  58  -3.317  11.133 -18.357
  424    HB   VAL  58           HB       VAL  58  -4.881  10.381 -20.868
  425   HG11  VAL  58          HG11      VAL  58  -3.210  12.188 -21.264
  426   HG12  VAL  58          HG12      VAL  58  -1.947  11.169 -20.537
  427   HG13  VAL  58          HG13      VAL  58  -2.744  10.678 -22.044
  428   HG21  VAL  58          HG21      VAL  58  -3.226   8.519 -21.046
  429   HG22  VAL  58          HG22      VAL  58  -2.593   8.938 -19.442
  430   HG23  VAL  58          HG23      VAL  58  -4.260   8.351 -19.636
  431    H    ILE  59           H        ILE  59  -3.055  13.380 -18.896
  432    HA   ILE  59           HA       ILE  59  -5.524  14.958 -19.302
  433    HB   ILE  59           HB       ILE  59  -5.214  16.333 -17.427
  434   HG12  ILE  59          HG12      ILE  59  -2.643  14.854 -16.798
  435   HG13  ILE  59          HG13      ILE  59  -2.809  16.535 -17.337
  436   HG21  ILE  59          HG21      ILE  59  -4.868  13.544 -16.274
  437   HG22  ILE  59          HG22      ILE  59  -5.736  14.915 -15.573
  438   HG23  ILE  59          HG23      ILE  59  -6.373  14.139 -17.017
  439   HD11  ILE  59          HD11      ILE  59  -4.064  17.037 -15.223
  440   HD12  ILE  59          HD12      ILE  59  -3.633  15.406 -14.650
  441   HD13  ILE  59          HD13      ILE  59  -2.361  16.578 -15.010
  442    H    ASN  60           H        ASN  60  -4.486  17.491 -19.157
  443    HA   ASN  60           HA       ASN  60  -2.129  17.554 -20.957
  444    HB2  ASN  60           HB2      ASN  60  -4.278  17.677 -22.308
  445    HB3  ASN  60           HB3      ASN  60  -4.676  19.150 -21.409
  446   HD21  ASN  60          HD22      ASN  60  -4.724  20.293 -23.499
  447   HD22  ASN  60          HD21      ASN  60  -3.224  20.755 -24.253
  448    H    GLU  61           H        GLU  61  -1.593  20.075 -21.167
  449    HA   GLU  61           HA       GLU  61  -0.428  20.788 -18.773
  450    HB2  GLU  61           HB2      GLU  61  -1.269  22.504 -21.157
  451    HB3  GLU  61           HB3      GLU  61  -0.152  23.060 -19.926
  452    HG2  GLU  61           HG2      GLU  61   0.310  20.583 -21.648
  453    HG3  GLU  61           HG3      GLU  61   0.830  22.198 -22.112
  454    H    ALA  62           H        ALA  62  -3.431  22.045 -20.200
  455    HA   ALA  62           HA       ALA  62  -3.831  24.088 -18.208
  456    HB1  ALA  62           HB1      ALA  62  -4.793  24.237 -20.479
  457    HB2  ALA  62           HB2      ALA  62  -5.832  22.829 -20.147
  458    HB3  ALA  62           HB3      ALA  62  -6.061  24.339 -19.242
  459    H    GLU  63           H        GLU  63  -5.082  20.772 -18.603
  460    HA   GLU  63           HA       GLU  63  -6.892  20.848 -16.352
  461    HB2  GLU  63           HB2      GLU  63  -5.506  18.532 -17.769
  462    HB3  GLU  63           HB3      GLU  63  -6.792  18.350 -16.577
  463    HG2  GLU  63           HG2      GLU  63  -7.036  19.716 -19.294
  464    HG3  GLU  63           HG3      GLU  63  -7.611  18.107 -18.885
  465    H    ALA  64           H        ALA  64  -3.437  19.958 -16.807
  466    HA   ALA  64           HA       ALA  64  -3.017  19.038 -14.145
  467    HB1  ALA  64           HB1      ALA  64  -1.431  18.630 -16.016
  468    HB2  ALA  64           HB2      ALA  64  -1.008  20.352 -16.027
  469    HB3  ALA  64           HB3      ALA  64  -0.649  19.368 -14.602
  470    H    ARG  65           H        ARG  65  -2.727  22.376 -15.583
  471    HA   ARG  65           HA       ARG  65  -1.837  23.523 -13.088
  472    HB2  ARG  65           HB2      ARG  65  -3.365  24.939 -15.319
  473    HB3  ARG  65           HB3      ARG  65  -2.500  25.696 -13.991
  474    HG2  ARG  65           HG2      ARG  65  -1.387  24.376 -16.443
  475    HG3  ARG  65           HG3      ARG  65  -1.069  25.966 -15.792
  476    HD2  ARG  65           HD2      ARG  65   0.210  24.956 -13.914
  477    HD3  ARG  65           HD3      ARG  65  -0.078  23.344 -14.576
  478    HE   ARG  65           HE       ARG  65   1.860  25.296 -15.452
  479   HH11  ARG  65          HH11      ARG  65  -0.145  22.598 -16.742
  480   HH12  ARG  65          HH12      ARG  65   1.116  22.170 -17.894
  481   HH21  ARG  65          HH21      ARG  65   3.359  24.635 -17.166
  482   HH22  ARG  65          HH22      ARG  65   2.882  23.293 -18.190
  483    H    ASP  66           H        ASP  66  -5.143  23.109 -14.465
  484    HA   ASP  66           HA       ASP  66  -6.489  24.441 -12.341
  485    HB2  ASP  66           HB2      ASP  66  -7.599  23.856 -14.436
  486    HB3  ASP  66           HB3      ASP  66  -7.396  22.133 -14.105
  487    H    THR  67           H        THR  67  -5.532  20.993 -12.706
  488    HA   THR  67           HA       THR  67  -6.681  20.164 -10.221
  489    HB   THR  67           HB       THR  67  -4.400  18.901 -11.793
  490    HG1  THR  67           HG1      THR  67  -6.080  19.131 -13.163
  491   HG21  THR  67          HG21      THR  67  -6.469  17.700  -9.886
  492   HG22  THR  67          HG22      THR  67  -5.278  16.786 -10.834
  493   HG23  THR  67          HG23      THR  67  -4.736  17.879  -9.555
  494    H    LEU  68           H        LEU  68  -3.404  21.425 -11.074
  495    HA   LEU  68           HA       LEU  68  -2.302  20.973  -8.463
  496    HB2  LEU  68           HB2      LEU  68  -1.566  22.841 -10.736
  497    HB3  LEU  68           HB3      LEU  68  -0.664  22.816  -9.227
  498    HG   LEU  68           HG       LEU  68  -1.073  20.305 -10.898
  499   HD11  LEU  68          HD11      LEU  68   1.168  20.665 -11.812
  500   HD12  LEU  68          HD12      LEU  68   0.102  22.002 -12.248
  501   HD13  LEU  68          HD13      LEU  68   1.296  22.218 -10.950
  502   HD21  LEU  68          HD21      LEU  68  -0.433  19.864  -8.560
  503   HD22  LEU  68          HD22      LEU  68   0.889  19.475  -9.657
  504   HD23  LEU  68          HD23      LEU  68   0.941  20.980  -8.713
  505    H    ASP  69           H        ASP  69  -4.214  23.675  -9.862
  506    HA   ASP  69           HA       ASP  69  -3.879  25.384  -7.601
  507    HB2  ASP  69           HB2      ASP  69  -4.722  26.230  -9.723
  508    HB3  ASP  69           HB3      ASP  69  -6.196  25.266  -9.545
  509    H    ALA  70           H        ALA  70  -6.195  22.738  -8.290
  510    HA   ALA  70           HA       ALA  70  -7.704  23.051  -5.852
  511    HB1  ALA  70           HB1      ALA  70  -7.218  20.529  -7.493
  512    HB2  ALA  70           HB2      ALA  70  -8.455  20.765  -6.249
  513    HB3  ALA  70           HB3      ALA  70  -8.526  21.705  -7.752
  514    H    LEU  71           H        LEU  71  -4.826  21.084  -6.749
  515    HA   LEU  71           HA       LEU  71  -4.526  19.761  -4.316
  516    HB2  LEU  71           HB2      LEU  71  -3.406  19.187  -6.436
  517    HB3  LEU  71           HB3      LEU  71  -2.349  20.580  -6.280
  518    HG   LEU  71           HG       LEU  71  -1.419  18.306  -5.722
  519   HD11  LEU  71          HD11      LEU  71   0.035  19.054  -3.971
  520   HD12  LEU  71          HD12      LEU  71  -0.276  20.396  -5.080
  521   HD13  LEU  71          HD13      LEU  71  -1.079  20.341  -3.498
  522   HD21  LEU  71          HD21      LEU  71  -3.292  17.409  -4.407
  523   HD22  LEU  71          HD22      LEU  71  -1.761  17.344  -3.519
  524   HD23  LEU  71          HD23      LEU  71  -2.956  18.582  -3.112
  525    H    GLN  72           H        GLN  72  -3.093  22.967  -5.258
  526    HA   GLN  72           HA       GLN  72  -1.723  23.214  -2.782
  527    HB2  GLN  72           HB2      GLN  72  -1.175  25.439  -3.405
  528    HB3  GLN  72           HB3      GLN  72  -1.062  24.395  -4.819
  529    HG2  GLN  72           HG2      GLN  72  -3.256  25.222  -5.591
  530    HG3  GLN  72           HG3      GLN  72  -3.368  26.307  -4.210
  531   HE21  GLN  72          HE22      GLN  72  -3.600  27.505  -6.700
  532   HE22  GLN  72          HE21      GLN  72  -2.115  28.345  -7.079
  533    H    ASN  73           H        ASN  73  -4.942  22.965  -2.857
  534    HA   ASN  73           HA       ASN  73  -5.107  24.332  -0.284
  535    HB2  ASN  73           HB2      ASN  73  -7.120  25.439  -0.608
  536    HB3  ASN  73           HB3      ASN  73  -6.147  25.894  -1.990
  537   HD21  ASN  73          HD22      ASN  73  -6.766  24.926  -4.172
  538   HD22  ASN  73          HD21      ASN  73  -8.423  24.427  -4.353
  539    H    MET  74           H        MET  74  -4.993  21.532  -1.715
  540    HA   MET  74           HA       MET  74  -6.994  20.236   0.057
  541    HB2  MET  74           HB2      MET  74  -7.790  20.401  -2.321
  542    HB3  MET  74           HB3      MET  74  -6.408  19.408  -2.813
  543    HG2  MET  74           HG2      MET  74  -7.239  17.547  -1.443
  544    HG3  MET  74           HG3      MET  74  -8.536  18.565  -0.804
  545    HE1  MET  74           HE1      MET  74 -10.442  15.908  -2.949
  546    HE2  MET  74           HE2      MET  74  -8.965  15.658  -1.992
  547    HE3  MET  74           HE3      MET  74 -10.279  16.675  -1.354
  548    H    PHE  75           H        PHE  75  -3.675  20.409  -1.019
  549    HA   PHE  75           HA       PHE  75  -2.812  17.836  -0.338
  550    HB2  PHE  75           HB2      PHE  75  -0.631  18.926   0.233
  551    HB3  PHE  75           HB3      PHE  75  -1.261  19.126  -1.377
  552    HD1  PHE  75           HD2      PHE  75  -2.741  21.490   1.090
  553    HD2  PHE  75           HD1      PHE  75   0.559  20.765  -1.600
  554    HE1  PHE  75           HE2      PHE  75  -2.192  23.881   1.117
  555    HE2  PHE  75           HE1      PHE  75   1.114  23.175  -1.546
  556    HZ   PHE  75           HZ       PHE  75  -0.264  24.743  -0.190
  557    H    ASP  76           H        ASP  76  -4.182  20.183   1.758
  558    HA   ASP  76           HA       ASP  76  -3.285  19.426   4.322
  559    HB2  ASP  76           HB2      ASP  76  -4.674  21.363   3.902
  560    HB3  ASP  76           HB3      ASP  76  -5.931  20.382   3.168
  561    H    VAL  77           H        VAL  77  -5.192  17.628   1.987
  562    HA   VAL  77           HA       VAL  77  -6.167  15.723   4.033
  563    HB   VAL  77           HB       VAL  77  -7.003  15.985   1.118
  564   HG11  VAL  77          HG11      VAL  77  -8.431  14.813   3.551
  565   HG12  VAL  77          HG12      VAL  77  -9.126  14.961   1.922
  566   HG13  VAL  77          HG13      VAL  77  -7.753  13.897   2.188
  567   HG21  VAL  77          HG21      VAL  77  -7.479  18.178   2.102
  568   HG22  VAL  77          HG22      VAL  77  -8.982  17.290   1.923
  569   HG23  VAL  77          HG23      VAL  77  -8.223  17.413   3.525
  570    H    GLU  78           H        GLU  78  -3.539  16.059   1.839
  571    HA   GLU  78           HA       GLU  78  -3.583  13.338   0.795
  572    HB2  GLU  78           HB2      GLU  78  -1.558  15.603   0.680
  573    HB3  GLU  78           HB3      GLU  78  -1.208  13.996   0.054
  574    HG2  GLU  78           HG2      GLU  78  -3.523  15.758  -0.856
  575    HG3  GLU  78           HG3      GLU  78  -1.989  15.563  -1.704
  576    HA   PRO  79           HA       PRO  79  -1.734  11.920   4.636
  577    HB2  PRO  79           HB2      PRO  79  -1.500   9.245   4.123
  578    HB3  PRO  79           HB3      PRO  79  -3.078  10.044   4.396
  579    HG2  PRO  79           HG2      PRO  79  -1.753   9.401   1.743
  580    HG3  PRO  79           HG3      PRO  79  -3.435   9.035   2.253
  581    HD2  PRO  79           HD2      PRO  79  -2.831  11.237   0.763
  582    HD3  PRO  79           HD3      PRO  79  -4.090  11.289   2.031
  583    H    ASP  80           H        ASP  80  -0.216  11.813   1.513
  584    HA   ASP  80           HA       ASP  80   2.362  10.804   2.427
  585    HB2  ASP  80           HB2      ASP  80   1.685  10.389   0.128
  586    HB3  ASP  80           HB3      ASP  80   1.509  12.119  -0.177
  587    H    VAL  81           H        VAL  81   2.219  12.287   4.237
  588    HA   VAL  81           HA       VAL  81   2.675  13.995   5.501
  589    HB   VAL  81           HB       VAL  81   4.819  15.091   5.275
  590   HG11  VAL  81          HG11      VAL  81   4.953  12.132   4.565
  591   HG12  VAL  81          HG12      VAL  81   6.197  13.094   5.388
  592   HG13  VAL  81          HG13      VAL  81   4.643  12.801   6.183
  593   HG21  VAL  81          HG21      VAL  81   6.351  14.722   3.465
  594   HG22  VAL  81          HG22      VAL  81   5.202  13.683   2.606
  595   HG23  VAL  81          HG23      VAL  81   4.873  15.420   2.786
  596    H    GLY  82           H        GLY  82   1.413  14.965   2.520
  597    HA2  GLY  82           HA2      GLY  82   1.542  17.755   2.678
  598    HA3  GLY  82           HA3      GLY  82   0.168  16.831   2.031
  599    H    ALA  83           H        ALA  83  -0.788  15.522   4.258
  600    HA   ALA  83           HA       ALA  83  -2.322  17.347   5.672
  601    HB1  ALA  83           HB1      ALA  83  -2.810  14.942   5.492
  602    HB2  ALA  83           HB2      ALA  83  -1.396  14.557   6.500
  603    HB3  ALA  83           HB3      ALA  83  -2.778  15.436   7.197
  604    H    LEU  84           H        LEU  84   0.994  16.330   6.418
  605    HA   LEU  84           HA       LEU  84   0.941  17.559   9.091
  606    HB2  LEU  84           HB2      LEU  84   2.311  15.576   8.777
  607    HB3  LEU  84           HB3      LEU  84   3.153  16.307   7.417
  608    HG   LEU  84           HG       LEU  84   4.166  18.003   8.912
  609   HD11  LEU  84          HD11      LEU  84   2.747  16.460  11.131
  610   HD12  LEU  84          HD12      LEU  84   4.045  17.647  11.386
  611   HD13  LEU  84          HD13      LEU  84   2.510  18.168  10.692
  612   HD21  LEU  84          HD21      LEU  84   5.715  16.471  10.043
  613   HD22  LEU  84          HD22      LEU  84   4.574  15.126   9.823
  614   HD23  LEU  84          HD23      LEU  84   5.336  15.894   8.414
  615    H    LEU  85           H        LEU  85   2.653  18.068   5.985
  616    HA   LEU  85           HA       LEU  85   3.992  20.418   6.744
  617    HB2  LEU  85           HB2      LEU  85   3.186  19.357   4.006
  618    HB3  LEU  85           HB3      LEU  85   4.295  20.702   4.231
  619    HG   LEU  85           HG       LEU  85   4.798  17.881   5.280
  620   HD11  LEU  85          HD11      LEU  85   5.939  19.310   2.841
  621   HD12  LEU  85          HD12      LEU  85   6.408  17.698   3.432
  622   HD13  LEU  85          HD13      LEU  85   4.771  17.970   2.817
  623   HD21  LEU  85          HD21      LEU  85   6.617  20.325   5.138
  624   HD22  LEU  85          HD22      LEU  85   6.010  19.540   6.613
  625   HD23  LEU  85          HD23      LEU  85   7.134  18.679   5.564
  626    H    TYR  86           H        TYR  86   0.728  20.062   5.477
  627    HA   TYR  86           HA       TYR  86   0.452  23.023   5.341
  628    HB2  TYR  86           HB2      TYR  86  -0.897  20.991   3.544
  629    HB3  TYR  86           HB3      TYR  86  -0.921  22.742   3.390
  630    HD1  TYR  86           HD2      TYR  86   1.476  23.908   3.130
  631    HD2  TYR  86           HD1      TYR  86   0.627  19.783   2.240
  632    HE1  TYR  86           HE2      TYR  86   3.495  23.811   1.701
  633    HE2  TYR  86           HE1      TYR  86   2.654  19.658   0.816
  634    HH   TYR  86           HH       TYR  86   4.827  22.483   0.322
  635    H    GLY  87           H        GLY  87  -0.233  20.924   7.543
  636    HA2  GLY  87           HA2      GLY  87  -2.872  22.100   8.113
  637    HA3  GLY  87           HA3      GLY  87  -2.833  20.340   7.934
  638    H    GLU  88           H        GLU  88  -1.171  19.168   9.322
  639    HA   GLU  88           HA       GLU  88  -1.813  19.860  11.990
  640    HB2  GLU  88           HB2      GLU  88  -1.442  17.552  10.948
  641    HB3  GLU  88           HB3      GLU  88   0.283  17.849  11.109
  642    HG2  GLU  88           HG2      GLU  88  -0.433  16.492  12.942
  643    HG3  GLU  88           HG3      GLU  88   0.009  18.064  13.579
  644    H    GLU  89           H        GLU  89   1.034  20.635  10.072
  645    HA   GLU  89           HA       GLU  89   2.119  22.190  12.346
  646    HB2  GLU  89           HB2      GLU  89   3.319  19.990  12.098
  647    HB3  GLU  89           HB3      GLU  89   3.850  20.503  10.491
  648    HG2  GLU  89           HG2      GLU  89   5.004  22.468  11.559
  649    HG3  GLU  89           HG3      GLU  89   4.405  21.947  13.130
  650    H    LYS  90           H        LYS  90   0.487  23.454  10.859
  651    HA   LYS  90           HA       LYS  90   2.119  25.159   9.103
  652    HB2  LYS  90           HB2      LYS  90   0.902  23.563   7.627
  653    HB3  LYS  90           HB3      LYS  90  -0.624  24.033   8.381
  654    HG2  LYS  90           HG2      LYS  90  -0.413  25.125   6.243
  655    HG3  LYS  90           HG3      LYS  90  -0.354  26.342   7.517
  656    HD2  LYS  90           HD2      LYS  90   2.107  26.491   7.288
  657    HD3  LYS  90           HD3      LYS  90   2.082  25.196   6.069
  658    HE2  LYS  90           HE2      LYS  90   0.669  26.610   4.600
  659    HE3  LYS  90           HE3      LYS  90   0.652  27.883   5.826
  660    HZ1  LYS  90           HZ1      LYS  90   3.047  28.105   5.547
  661    HZ2  LYS  90           HZ2      LYS  90   3.078  26.920   4.421
  662    HZ3  LYS  90           HZ3      LYS  90   2.298  28.319   4.119
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -1.139   3.887   2.574
    2    H2   MET   1           H2       MET   1  -0.978   4.784   3.939
    3    H3   MET   1           H3       MET   1  -2.182   5.108   2.876
    4    HA   MET   1           HA       MET   1  -0.467   6.744   2.655
    5    HB2  MET   1           HB2      MET   1   1.422   5.473   3.460
    6    HB3  MET   1           HB3      MET   1   1.310   4.330   2.115
    7    HG2  MET   1           HG2      MET   1   3.133   5.970   1.835
    8    HG3  MET   1           HG3      MET   1   1.964   6.019   0.524
    9    HE1  MET   1           HE1      MET   1   4.085   8.295   0.765
   10    HE2  MET   1           HE2      MET   1   2.782   8.166  -0.440
   11    HE3  MET   1           HE3      MET   1   3.027   9.686   0.437
   12    H    CYS   2           H        CYS   2  -1.159   7.785   0.929
   13    HA   CYS   2           HA       CYS   2  -1.016   6.647  -1.769
   14    HB2  CYS   2           HB2      CYS   2  -3.539   7.995  -0.667
   15    HB3  CYS   2           HB3      CYS   2  -3.260   7.517  -2.343
   16    HG   CYS   2           HG       CYS   2  -5.004   5.914  -1.267
   17    H    ILE   3           H        ILE   3  -1.528   8.706  -3.278
   18    HA   ILE   3           HA       ILE   3  -0.913  11.252  -1.915
   19    HB   ILE   3           HB       ILE   3   0.659  11.969  -3.628
   20   HG12  ILE   3          HG12      ILE   3   1.925  10.157  -4.927
   21   HG13  ILE   3          HG13      ILE   3   0.521   9.117  -4.709
   22   HG21  ILE   3          HG21      ILE   3   1.627   9.425  -2.281
   23   HG22  ILE   3          HG22      ILE   3   2.594  10.826  -2.778
   24   HG23  ILE   3          HG23      ILE   3   1.415  10.993  -1.472
   25   HD11  ILE   3          HD11      ILE   3  -0.848  10.658  -6.015
   26   HD12  ILE   3          HD12      ILE   3   0.457  11.874  -6.026
   27   HD13  ILE   3          HD13      ILE   3   0.653  10.351  -6.897
   28    H    GLY   4           H        GLY   4  -1.189  12.976  -4.057
   29    HA2  GLY   4           HA2      GLY   4  -3.482  12.263  -5.697
   30    HA3  GLY   4           HA3      GLY   4  -3.891  13.321  -4.329
   31    H    VAL   5           H        VAL   5  -1.388  12.978  -6.921
   32    HA   VAL   5           HA       VAL   5  -1.324  15.904  -7.292
   33    HB   VAL   5           HB       VAL   5   1.158  14.225  -6.701
   34   HG11  VAL   5          HG11      VAL   5   0.866  17.247  -6.982
   35   HG12  VAL   5          HG12      VAL   5   2.366  16.358  -6.644
   36   HG13  VAL   5          HG13      VAL   5   1.579  16.172  -8.207
   37   HG21  VAL   5          HG21      VAL   5   1.395  15.596  -4.622
   38   HG22  VAL   5          HG22      VAL   5  -0.234  16.249  -4.897
   39   HG23  VAL   5          HG23      VAL   5   0.012  14.517  -4.574
   40    HA   PRO   6           HA       PRO   6  -0.914  14.056 -11.401
   41    HB2  PRO   6           HB2      PRO   6  -0.488  16.293 -12.935
   42    HB3  PRO   6           HB3      PRO   6  -2.073  15.882 -12.229
   43    HG2  PRO   6           HG2      PRO   6  -0.012  17.822 -11.176
   44    HG3  PRO   6           HG3      PRO   6  -1.789  18.028 -11.324
   45    HD2  PRO   6           HD2      PRO   6  -0.540  17.310  -8.979
   46    HD3  PRO   6           HD3      PRO   6  -2.195  16.780  -9.395
   47    H    GLY   7           H        GLY   7   0.723  14.140 -13.264
   48    HA2  GLY   7           HA2      GLY   7   3.366  15.200 -12.661
   49    HA3  GLY   7           HA3      GLY   7   3.260  13.426 -12.744
   50    H    GLN   8           H        GLN   8   4.869  14.228 -14.517
   51    HA   GLN   8           HA       GLN   8   3.370  14.295 -17.092
   52    HB2  GLN   8           HB2      GLN   8   4.815  16.351 -16.546
   53    HB3  GLN   8           HB3      GLN   8   6.211  15.275 -16.718
   54    HG2  GLN   8           HG2      GLN   8   5.488  14.752 -19.054
   55    HG3  GLN   8           HG3      GLN   8   4.060  15.768 -18.830
   56   HE21  GLN   8          HE22      GLN   8   4.865  16.876 -20.793
   57   HE22  GLN   8          HE21      GLN   8   6.095  18.119 -20.611
   58    H    ILE   9           H        ILE   9   3.957  12.728 -18.577
   59    HA   ILE   9           HA       ILE   9   5.252  10.358 -17.510
   60    HB   ILE   9           HB       ILE   9   4.066  10.958 -20.247
   61   HG12  ILE   9          HG12      ILE   9   2.940   9.514 -17.792
   62   HG13  ILE   9          HG13      ILE   9   2.407  11.076 -18.398
   63   HG21  ILE   9          HG21      ILE   9   4.788   8.251 -19.016
   64   HG22  ILE   9          HG22      ILE   9   4.129   8.549 -20.637
   65   HG23  ILE   9          HG23      ILE   9   5.760   9.075 -20.252
   66   HD11  ILE   9          HD11      ILE   9   0.799   9.408 -19.005
   67   HD12  ILE   9          HD12      ILE   9   1.595  10.008 -20.467
   68   HD13  ILE   9          HD13      ILE   9   2.023   8.411 -19.800
   69    H    ARG  10           H        ARG  10   7.295  11.083 -17.021
   70    HA   ARG  10           HA       ARG  10   8.925  12.633 -18.781
   71    HB2  ARG  10           HB2      ARG  10   8.976  12.565 -16.241
   72    HB3  ARG  10           HB3      ARG  10   9.644  10.946 -16.333
   73    HG2  ARG  10           HG2      ARG  10  11.422  12.482 -15.858
   74    HG3  ARG  10           HG3      ARG  10  11.669  11.844 -17.478
   75    HD2  ARG  10           HD2      ARG  10  12.158  14.236 -17.396
   76    HD3  ARG  10           HD3      ARG  10  10.786  13.926 -18.452
   77    HE   ARG  10           HE       ARG  10  10.522  14.860 -15.604
   78   HH11  ARG  10          HH11      ARG  10   9.706  15.373 -19.036
   79   HH12  ARG  10          HH12      ARG  10   8.447  16.519 -18.664
   80   HH21  ARG  10          HH21      ARG  10   8.850  16.425 -15.181
   81   HH22  ARG  10          HH22      ARG  10   7.991  17.111 -16.541
   82    H    THR  11           H        THR  11   8.655   9.166 -18.041
   83    HA   THR  11           HA       THR  11  10.149   8.369 -20.418
   84    HB   THR  11           HB       THR  11  11.350   6.776 -18.563
   85    HG1  THR  11           HG1      THR  11  10.548   7.948 -16.809
   86   HG21  THR  11          HG21      THR  11  12.534   8.045 -20.349
   87   HG22  THR  11          HG22      THR  11  12.495   9.494 -19.317
   88   HG23  THR  11          HG23      THR  11  13.396   8.057 -18.802
   89    H    ILE  12           H        ILE  12   9.569   6.237 -20.985
   90    HA   ILE  12           HA       ILE  12   7.469   4.911 -19.337
   91    HB   ILE  12           HB       ILE  12   7.818   5.064 -22.352
   92   HG12  ILE  12          HG12      ILE  12   5.587   5.898 -20.435
   93   HG13  ILE  12          HG13      ILE  12   6.683   6.979 -21.282
   94   HG21  ILE  12          HG21      ILE  12   5.830   3.322 -20.820
   95   HG22  ILE  12          HG22      ILE  12   5.914   3.537 -22.583
   96   HG23  ILE  12          HG23      ILE  12   7.223   2.728 -21.763
   97   HD11  ILE  12          HD11      ILE  12   4.464   5.308 -22.466
   98   HD12  ILE  12          HD12      ILE  12   4.641   7.065 -22.449
   99   HD13  ILE  12          HD13      ILE  12   5.717   6.088 -23.467
  100    H    ASP  13           H        ASP  13   7.699   2.659 -19.121
  101    HA   ASP  13           HA       ASP  13  10.471   1.614 -19.541
  102    HB2  ASP  13           HB2      ASP  13  10.107   2.665 -17.328
  103    HB3  ASP  13           HB3      ASP  13   8.733   1.599 -17.047
  104    H    GLY  14           H        GLY  14   7.244   1.060 -20.241
  105    HA2  GLY  14           HA2      GLY  14   7.244  -1.220 -21.575
  106    HA3  GLY  14           HA3      GLY  14   7.261  -1.874 -19.921
  107    H    ASN  15           H        ASN  15   5.200  -2.445 -19.415
  108    HA   ASN  15           HA       ASN  15   2.830  -0.926 -20.190
  109    HB2  ASN  15           HB2      ASN  15   2.971  -3.444 -19.670
  110    HB3  ASN  15           HB3      ASN  15   3.095  -2.997 -17.967
  111   HD21  ASN  15          HD22      ASN  15   1.081  -2.521 -16.848
  112   HD22  ASN  15          HD21      ASN  15  -0.441  -2.573 -17.677
  113    H    GLN  16           H        GLN  16   5.164   0.341 -18.561
  114    HA   GLN  16           HA       GLN  16   3.721   1.497 -16.282
  115    HB2  GLN  16           HB2      GLN  16   6.378  -0.022 -16.190
  116    HB3  GLN  16           HB3      GLN  16   5.855   1.089 -14.926
  117    HG2  GLN  16           HG2      GLN  16   4.011  -0.300 -14.306
  118    HG3  GLN  16           HG3      GLN  16   4.214  -1.347 -15.720
  119   HE21  GLN  16          HE22      GLN  16   6.228  -0.101 -12.947
  120   HE22  GLN  16          HE21      GLN  16   6.913  -1.672 -12.580
  121    H    ALA  17           H        ALA  17   4.947   3.403 -15.508
  122    HA   ALA  17           HA       ALA  17   7.040   4.457 -17.295
  123    HB1  ALA  17           HB1      ALA  17   5.809   6.605 -17.550
  124    HB2  ALA  17           HB2      ALA  17   4.899   5.267 -18.282
  125    HB3  ALA  17           HB3      ALA  17   4.418   5.910 -16.701
  126    H    LYS  18           H        LYS  18   8.181   6.205 -16.292
  127    HA   LYS  18           HA       LYS  18   7.968   6.207 -13.297
  128    HB2  LYS  18           HB2      LYS  18  10.350   6.231 -15.160
  129    HB3  LYS  18           HB3      LYS  18  10.436   7.119 -13.644
  130    HG2  LYS  18           HG2      LYS  18  11.369   4.945 -13.320
  131    HG3  LYS  18           HG3      LYS  18   9.915   5.149 -12.341
  132    HD2  LYS  18           HD2      LYS  18   8.631   3.711 -13.831
  133    HD3  LYS  18           HD3      LYS  18   9.990   3.612 -14.978
  134    HE2  LYS  18           HE2      LYS  18  11.366   2.449 -13.334
  135    HE3  LYS  18           HE3      LYS  18  10.174   2.739 -12.064
  136    HZ1  LYS  18           HZ1      LYS  18   8.625   1.309 -13.288
  137    HZ2  LYS  18           HZ2      LYS  18   9.813   0.933 -14.396
  138    HZ3  LYS  18           HZ3      LYS  18   9.979   0.512 -12.833
  139    H    VAL  19           H        VAL  19   6.171   7.671 -13.694
  140    HA   VAL  19           HA       VAL  19   6.580  10.028 -15.286
  141    HB   VAL  19           HB       VAL  19   4.330  10.551 -14.710
  142   HG11  VAL  19          HG11      VAL  19   3.163   8.537 -15.468
  143   HG12  VAL  19          HG12      VAL  19   4.706   8.683 -16.324
  144   HG13  VAL  19          HG13      VAL  19   4.532   7.528 -15.009
  145   HG21  VAL  19          HG21      VAL  19   4.433   8.427 -12.538
  146   HG22  VAL  19          HG22      VAL  19   4.207  10.174 -12.336
  147   HG23  VAL  19          HG23      VAL  19   2.952   9.223 -13.130
  148    H    ASP  20           H        ASP  20   6.908  12.150 -14.578
  149    HA   ASP  20           HA       ASP  20   8.248  12.453 -11.952
  150    HB2  ASP  20           HB2      ASP  20   9.409  13.481 -13.778
  151    HB3  ASP  20           HB3      ASP  20   7.922  14.164 -14.436
  152    H    VAL  21           H        VAL  21   6.762  12.566 -10.355
  153    HA   VAL  21           HA       VAL  21   4.115  13.738 -10.742
  154    HB   VAL  21           HB       VAL  21   5.376  12.533  -8.248
  155   HG11  VAL  21          HG11      VAL  21   2.440  13.004  -8.981
  156   HG12  VAL  21          HG12      VAL  21   3.038  12.215  -7.506
  157   HG13  VAL  21          HG13      VAL  21   3.349  13.930  -7.774
  158   HG21  VAL  21          HG21      VAL  21   3.983  10.518  -8.871
  159   HG22  VAL  21          HG22      VAL  21   3.624  11.297 -10.418
  160   HG23  VAL  21          HG23      VAL  21   5.292  10.829 -10.014
  161    H    CYS  22           H        CYS  22   5.417  15.678 -11.459
  162    HA   CYS  22           HA       CYS  22   6.206  17.765 -11.236
  163    HB2  CYS  22           HB2      CYS  22   4.064  17.893  -9.079
  164    HB3  CYS  22           HB3      CYS  22   4.734  19.259  -9.983
  165    HG   CYS  22           HG       CYS  22   2.926  16.690 -10.983
  166    H    GLY  23           H        GLY  23   8.060  16.150  -9.952
  167    HA2  GLY  23           HA2      GLY  23   9.579  17.911  -8.529
  168    HA3  GLY  23           HA3      GLY  23   8.607  17.150  -7.260
  169    H    ILE  24           H        ILE  24   8.509  14.467  -8.562
  170    HA   ILE  24           HA       ILE  24  11.280  13.642  -8.803
  171    HB   ILE  24           HB       ILE  24  10.860  13.785  -6.322
  172   HG12  ILE  24          HG12      ILE  24  11.443  10.976  -7.340
  173   HG13  ILE  24          HG13      ILE  24  12.583  12.326  -7.373
  174   HG21  ILE  24          HG21      ILE  24   8.448  13.029  -6.400
  175   HG22  ILE  24          HG22      ILE  24   9.045  11.384  -6.719
  176   HG23  ILE  24          HG23      ILE  24   9.433  12.202  -5.191
  177   HD11  ILE  24          HD11      ILE  24  11.398  11.030  -4.885
  178   HD12  ILE  24          HD12      ILE  24  13.069  10.939  -5.462
  179   HD13  ILE  24          HD13      ILE  24  12.423  12.486  -4.879
  180    H    GLN  25           H        GLN  25  11.447  11.500  -9.663
  181    HA   GLN  25           HA       GLN  25   9.131  10.743 -11.288
  182    HB2  GLN  25           HB2      GLN  25  11.947   9.607 -11.120
  183    HB3  GLN  25           HB3      GLN  25  10.662   9.007 -12.178
  184    HG2  GLN  25           HG2      GLN  25  10.462  11.346 -13.145
  185    HG3  GLN  25           HG3      GLN  25  11.915  11.787 -12.240
  186   HE21  GLN  25          HE22      GLN  25  10.621   9.503 -14.697
  187   HE22  GLN  25          HE21      GLN  25  12.104   9.304 -15.579
  188    H    ARG  26           H        ARG  26   7.776   9.099 -10.897
  189    HA   ARG  26           HA       ARG  26   8.433   7.108  -8.768
  190    HB2  ARG  26           HB2      ARG  26   5.794   8.624  -9.039
  191    HB3  ARG  26           HB3      ARG  26   6.123   7.301  -7.917
  192    HG2  ARG  26           HG2      ARG  26   7.902   8.689  -6.825
  193    HG3  ARG  26           HG3      ARG  26   7.516  10.016  -7.929
  194    HD2  ARG  26           HD2      ARG  26   6.476  10.473  -5.826
  195    HD3  ARG  26           HD3      ARG  26   5.237  10.153  -7.026
  196    HE   ARG  26           HE       ARG  26   4.609   8.206  -5.949
  197   HH11  ARG  26          HH21      ARG  26   7.518   9.491  -4.365
  198   HH12  ARG  26          HH22      ARG  26   7.398   8.455  -2.992
  199   HH21  ARG  26          HH11      ARG  26   4.458   6.819  -4.127
  200   HH22  ARG  26          HH12      ARG  26   5.619   6.907  -2.859
  201    H    ASP  27           H        ASP  27   7.746   5.044  -9.276
  202    HA   ASP  27           HA       ASP  27   7.033   4.458 -12.022
  203    HB2  ASP  27           HB2      ASP  27   8.395   2.896 -10.758
  204    HB3  ASP  27           HB3      ASP  27   7.152   2.744  -9.513
  205    H    VAL  28           H        VAL  28   5.041   4.079 -12.889
  206    HA   VAL  28           HA       VAL  28   2.796   3.360 -11.142
  207    HB   VAL  28           HB       VAL  28   1.279   4.818 -12.510
  208   HG11  VAL  28          HG11      VAL  28   3.294   6.387 -10.855
  209   HG12  VAL  28          HG12      VAL  28   1.648   6.878 -11.278
  210   HG13  VAL  28          HG13      VAL  28   1.902   5.486 -10.213
  211   HG21  VAL  28          HG21      VAL  28   2.140   6.788 -13.661
  212   HG22  VAL  28          HG22      VAL  28   3.812   6.297 -13.295
  213   HG23  VAL  28          HG23      VAL  28   2.823   5.333 -14.399
  214    H    ASP  29           H        ASP  29   1.372   1.922 -12.176
  215    HA   ASP  29           HA       ASP  29   2.255   0.758 -14.747
  216    HB2  ASP  29           HB2      ASP  29   1.589  -0.723 -12.897
  217    HB3  ASP  29           HB3      ASP  29  -0.004   0.034 -12.857
  218    H    LEU  30           H        LEU  30   1.052   0.817 -16.612
  219    HA   LEU  30           HA       LEU  30  -0.785   3.158 -16.765
  220    HB2  LEU  30           HB2      LEU  30   1.535   2.246 -18.397
  221    HB3  LEU  30           HB3      LEU  30   0.158   2.786 -19.329
  222    HG   LEU  30           HG       LEU  30   0.086   4.912 -18.012
  223   HD11  LEU  30          HD11      LEU  30   1.271   4.235 -15.976
  224   HD12  LEU  30          HD12      LEU  30   2.746   3.924 -16.909
  225   HD13  LEU  30          HD13      LEU  30   2.103   5.578 -16.751
  226   HD21  LEU  30          HD21      LEU  30   2.085   5.912 -19.123
  227   HD22  LEU  30          HD22      LEU  30   2.640   4.271 -19.536
  228   HD23  LEU  30          HD23      LEU  30   1.105   4.900 -20.186
  229    H    THR  31           H        THR  31  -1.419  -0.023 -16.542
  230    HA   THR  31           HA       THR  31  -2.691  -0.779 -18.892
  231    HB   THR  31           HB       THR  31  -3.676  -1.331 -16.060
  232    HG1  THR  31           HG1      THR  31  -1.596  -1.859 -16.104
  233   HG21  THR  31          HG21      THR  31  -4.348  -3.545 -17.011
  234   HG22  THR  31          HG22      THR  31  -5.264  -2.209 -17.712
  235   HG23  THR  31          HG23      THR  31  -3.940  -2.952 -18.638
  236    H    LEU  32           H        LEU  32  -3.904   1.569 -16.516
  237    HA   LEU  32           HA       LEU  32  -6.630   1.565 -17.411
  238    HB2  LEU  32           HB2      LEU  32  -5.046   3.727 -15.983
  239    HB3  LEU  32           HB3      LEU  32  -6.797   3.688 -16.140
  240    HG   LEU  32           HG       LEU  32  -5.095   1.696 -14.584
  241   HD11  LEU  32          HD11      LEU  32  -5.311   3.888 -13.497
  242   HD12  LEU  32          HD12      LEU  32  -7.077   3.810 -13.644
  243   HD13  LEU  32          HD13      LEU  32  -6.207   2.652 -12.609
  244   HD21  LEU  32          HD21      LEU  32  -7.032   0.503 -15.483
  245   HD22  LEU  32          HD22      LEU  32  -7.268   0.789 -13.761
  246   HD23  LEU  32          HD23      LEU  32  -8.123   1.802 -14.944
  247    H    VAL  33           H        VAL  33  -3.808   2.899 -18.933
  248    HA   VAL  33           HA       VAL  33  -5.516   4.567 -20.721
  249    HB   VAL  33           HB       VAL  33  -3.744   6.306 -20.670
  250   HG11  VAL  33          HG11      VAL  33  -4.383   7.330 -18.559
  251   HG12  VAL  33          HG12      VAL  33  -5.791   6.538 -19.288
  252   HG13  VAL  33          HG13      VAL  33  -4.947   5.783 -17.917
  253   HG21  VAL  33          HG21      VAL  33  -2.099   6.406 -18.875
  254   HG22  VAL  33          HG22      VAL  33  -2.634   4.845 -18.228
  255   HG23  VAL  33          HG23      VAL  33  -1.839   4.934 -19.814
  256    H    GLY  34           H        GLY  34  -2.867   2.322 -20.429
  257    HA2  GLY  34           HA2      GLY  34  -1.721   1.168 -22.041
  258    HA3  GLY  34           HA3      GLY  34  -2.472   2.128 -23.326
  259    H    SER  35           H        SER  35   0.427   1.475 -22.823
  260    HA   SER  35           HA       SER  35   1.726   3.900 -22.001
  261    HB2  SER  35           HB2      SER  35   2.820   1.551 -23.581
  262    HB3  SER  35           HB3      SER  35   3.750   2.769 -22.686
  263    HG   SER  35           HG       SER  35   3.565   1.058 -21.344
  264    H    CYS  36           H        CYS  36  -0.042   3.369 -24.801
  265    HA   CYS  36           HA       CYS  36   1.502   5.428 -26.272
  266    HB2  CYS  36           HB2      CYS  36   0.143   2.970 -27.456
  267    HB3  CYS  36           HB3      CYS  36   0.807   4.328 -28.380
  268    HG   CYS  36           HG       CYS  36   2.436   2.262 -28.521
  269    H    ASP  37           H        ASP  37   0.220   6.678 -27.700
  270    HA   ASP  37           HA       ASP  37  -1.800   7.976 -26.391
  271    HB2  ASP  37           HB2      ASP  37  -2.002   9.354 -28.302
  272    HB3  ASP  37           HB3      ASP  37  -0.312   8.905 -28.136
  273    H    GLU  38           H        GLU  38  -2.217   5.888 -29.208
  274    HA   GLU  38           HA       GLU  38  -4.580   4.531 -28.519
  275    HB2  GLU  38           HB2      GLU  38  -5.735   6.739 -28.738
  276    HB3  GLU  38           HB3      GLU  38  -5.030   6.957 -30.343
  277    HG2  GLU  38           HG2      GLU  38  -6.309   5.014 -31.173
  278    HG3  GLU  38           HG3      GLU  38  -6.901   4.682 -29.542
  279    H    ASN  39           H        ASN  39  -2.816   6.243 -31.130
  280    HA   ASN  39           HA       ASN  39  -3.251   4.146 -33.122
  281    HB2  ASN  39           HB2      ASN  39  -3.184   6.484 -33.818
  282    HB3  ASN  39           HB3      ASN  39  -1.601   6.709 -33.072
  283   HD21  ASN  39          HD22      ASN  39   0.134   6.540 -34.474
  284   HD22  ASN  39          HD21      ASN  39   0.121   5.650 -35.972
  285    H    GLY  40           H        GLY  40  -0.565   5.329 -31.052
  286    HA2  GLY  40           HA2      GLY  40   0.789   3.122 -30.453
  287    HA3  GLY  40           HA3      GLY  40   1.266   3.267 -32.147
  288    H    GLN  41           H        GLN  41   0.805   6.397 -30.708
  289    HA   GLN  41           HA       GLN  41   3.697   6.905 -30.857
  290    HB2  GLN  41           HB2      GLN  41   1.429   8.734 -29.957
  291    HB3  GLN  41           HB3      GLN  41   3.085   9.197 -30.341
  292    HG2  GLN  41           HG2      GLN  41   2.714   8.477 -32.709
  293    HG3  GLN  41           HG3      GLN  41   1.036   8.081 -32.314
  294   HE21  GLN  41          HE22      GLN  41  -0.434   9.864 -31.608
  295   HE22  GLN  41          HE21      GLN  41  -0.078  11.494 -32.153
  296    HA   PRO  42           HA       PRO  42   3.980   5.704 -26.449
  297    HB2  PRO  42           HB2      PRO  42   6.459   7.424 -26.597
  298    HB3  PRO  42           HB3      PRO  42   6.254   5.803 -25.863
  299    HG2  PRO  42           HG2      PRO  42   7.457   6.075 -28.280
  300    HG3  PRO  42           HG3      PRO  42   6.282   4.747 -28.000
  301    HD2  PRO  42           HD2      PRO  42   5.819   7.398 -29.391
  302    HD3  PRO  42           HD3      PRO  42   5.294   5.755 -29.871
  303    H    ARG  43           H        ARG  43   3.220   6.768 -24.587
  304    HA   ARG  43           HA       ARG  43   2.210   9.421 -24.924
  305    HB2  ARG  43           HB2      ARG  43   2.331   7.658 -22.436
  306    HB3  ARG  43           HB3      ARG  43   1.473   9.195 -22.553
  307    HG2  ARG  43           HG2      ARG  43   0.134   8.244 -24.474
  308    HG3  ARG  43           HG3      ARG  43   0.814   6.663 -24.061
  309    HD2  ARG  43           HD2      ARG  43  -0.034   6.882 -21.747
  310    HD3  ARG  43           HD3      ARG  43  -0.682   8.480 -22.120
  311    HE   ARG  43           HE       ARG  43  -1.756   5.860 -22.800
  312   HH11  ARG  43          HH11      ARG  43  -1.907   9.328 -23.720
  313   HH12  ARG  43          HH12      ARG  43  -3.425   9.151 -24.536
  314   HH21  ARG  43          HH21      ARG  43  -3.752   5.696 -23.825
  315   HH22  ARG  43          HH22      ARG  43  -4.292   6.959 -24.891
  316    H    VAL  44           H        VAL  44   5.387   8.957 -24.574
  317    HA   VAL  44           HA       VAL  44   6.194  10.312 -22.242
  318    HB   VAL  44           HB       VAL  44   7.530  10.261 -24.984
  319   HG11  VAL  44          HG11      VAL  44   9.636  10.627 -23.703
  320   HG12  VAL  44          HG12      VAL  44   8.536  11.996 -23.550
  321   HG13  VAL  44          HG13      VAL  44   8.688  10.835 -22.214
  322   HG21  VAL  44          HG21      VAL  44   7.149   7.964 -24.115
  323   HG22  VAL  44          HG22      VAL  44   8.857   8.383 -24.073
  324   HG23  VAL  44          HG23      VAL  44   7.911   8.427 -22.574
  325    H    GLY  45           H        GLY  45   6.118  12.386 -21.617
  326    HA2  GLY  45           HA2      GLY  45   6.228  14.703 -21.854
  327    HA3  GLY  45           HA3      GLY  45   5.785  14.584 -23.558
  328    H    GLN  46           H        GLN  46   3.445  12.655 -22.534
  329    HA   GLN  46           HA       GLN  46   1.433  14.748 -22.273
  330    HB2  GLN  46           HB2      GLN  46   1.262  11.729 -21.886
  331    HB3  GLN  46           HB3      GLN  46  -0.114  12.831 -21.910
  332    HG2  GLN  46           HG2      GLN  46   0.390  13.478 -24.233
  333    HG3  GLN  46           HG3      GLN  46   1.816  12.442 -24.240
  334   HE21  GLN  46          HE22      GLN  46   0.591  11.653 -26.238
  335   HE22  GLN  46          HE21      GLN  46  -0.537  10.348 -25.997
  336    H    TRP  47           H        TRP  47  -0.112  14.691 -20.322
  337    HA   TRP  47           HA       TRP  47   1.488  14.458 -17.820
  338    HB2  TRP  47           HB2      TRP  47  -0.765  16.346 -18.507
  339    HB3  TRP  47           HB3      TRP  47  -0.069  16.145 -16.904
  340    HD1  TRP  47           HD1      TRP  47   1.026  17.239 -20.447
  341    HE1  TRP  47           HE1      TRP  47   2.906  18.935 -20.267
  342    HE3  TRP  47           HE3      TRP  47   1.662  17.180 -15.364
  343    HZ2  TRP  47           HZ2      TRP  47   4.656  19.984 -18.190
  344    HZ3  TRP  47           HZ3      TRP  47   3.466  18.515 -14.315
  345    HH2  TRP  47           HH2      TRP  47   4.994  19.886 -15.714
  346    H    VAL  48           H        VAL  48   0.168  13.871 -15.893
  347    HA   VAL  48           HA       VAL  48  -2.069  12.039 -16.481
  348    HB   VAL  48           HB       VAL  48  -0.063  10.819 -17.097
  349   HG11  VAL  48          HG11      VAL  48   1.722  10.252 -15.483
  350   HG12  VAL  48          HG12      VAL  48   1.704  11.962 -15.883
  351   HG13  VAL  48          HG13      VAL  48   1.047  11.410 -14.324
  352   HG21  VAL  48          HG21      VAL  48  -0.227   8.866 -15.752
  353   HG22  VAL  48          HG22      VAL  48  -0.962   9.756 -14.412
  354   HG23  VAL  48          HG23      VAL  48  -1.850   9.556 -15.946
  355    H    LEU  49           H        LEU  49  -3.222  11.446 -14.627
  356    HA   LEU  49           HA       LEU  49  -2.702  12.999 -12.134
  357    HB2  LEU  49           HB2      LEU  49  -4.998  11.256 -13.120
  358    HB3  LEU  49           HB3      LEU  49  -4.922  11.896 -11.479
  359    HG   LEU  49           HG       LEU  49  -4.904  13.650 -13.962
  360   HD11  LEU  49          HD11      LEU  49  -7.252  12.868 -12.189
  361   HD12  LEU  49          HD12      LEU  49  -7.292  14.032 -13.536
  362   HD13  LEU  49          HD13      LEU  49  -6.966  12.319 -13.854
  363   HD21  LEU  49          HD21      LEU  49  -4.009  14.782 -11.949
  364   HD22  LEU  49          HD22      LEU  49  -5.584  15.440 -12.382
  365   HD23  LEU  49          HD23      LEU  49  -5.447  14.299 -11.026
  366    H    VAL  50           H        VAL  50  -2.103  11.899 -10.209
  367    HA   VAL  50           HA       VAL  50  -1.874   8.949 -10.351
  368    HB   VAL  50           HB       VAL  50   0.302  10.756  -9.231
  369   HG11  VAL  50          HG11      VAL  50   1.619   8.634  -9.261
  370   HG12  VAL  50          HG12      VAL  50   0.221   8.518  -8.198
  371   HG13  VAL  50          HG13      VAL  50   0.163   7.763  -9.795
  372   HG21  VAL  50          HG21      VAL  50   0.357  11.062 -11.656
  373   HG22  VAL  50          HG22      VAL  50   1.682  10.011 -11.173
  374   HG23  VAL  50          HG23      VAL  50   0.229   9.304 -11.913
  375    H    HIS  51           H        HIS  51  -2.113   7.974  -8.307
  376    HA   HIS  51           HA       HIS  51  -2.925   9.579  -5.991
  377    HB2  HIS  51           HB2      HIS  51  -5.030   9.465  -7.202
  378    HB3  HIS  51           HB3      HIS  51  -4.822   7.741  -7.501
  379    HD1  HIS  51           HD1      HIS  51  -4.542   9.477  -4.029
  380    HD2  HIS  51           HD2      HIS  51  -6.814   6.683  -6.217
  381    HE1  HIS  51           HE1      HIS  51  -6.209   8.458  -2.388
  382    H    VAL  52           H        VAL  52  -2.766   6.380  -7.538
  383    HA   VAL  52           HA       VAL  52  -1.182   5.300  -5.281
  384    HB   VAL  52           HB       VAL  52  -2.289   3.097  -5.737
  385   HG11  VAL  52          HG11      VAL  52  -2.933   4.495  -3.806
  386   HG12  VAL  52          HG12      VAL  52  -4.199   5.270  -4.780
  387   HG13  VAL  52          HG13      VAL  52  -4.289   3.536  -4.417
  388   HG21  VAL  52          HG21      VAL  52  -3.244   3.649  -8.010
  389   HG22  VAL  52          HG22      VAL  52  -4.413   2.951  -6.882
  390   HG23  VAL  52          HG23      VAL  52  -4.439   4.690  -7.210
  391    H    GLY  53           H        GLY  53  -0.435   2.921  -6.624
  392    HA2  GLY  53           HA2      GLY  53   1.601   3.929  -8.360
  393    HA3  GLY  53           HA3      GLY  53   1.284   2.241  -7.951
  394    H    PHE  54           H        PHE  54  -0.899   4.577  -9.644
  395    HA   PHE  54           HA       PHE  54  -0.650   3.073 -12.157
  396    HB2  PHE  54           HB2      PHE  54  -3.240   3.435 -10.600
  397    HB3  PHE  54           HB3      PHE  54  -3.204   3.173 -12.331
  398    HD1  PHE  54           HD1      PHE  54  -2.592   1.567  -9.045
  399    HD2  PHE  54           HD2      PHE  54  -2.659   1.030 -13.327
  400    HE1  PHE  54           HE1      PHE  54  -2.564  -0.896  -8.740
  401    HE2  PHE  54           HE2      PHE  54  -2.643  -1.428 -13.016
  402    HZ   PHE  54           HZ       PHE  54  -2.592  -2.399 -10.723
  403    H    ALA  55           H        ALA  55  -1.155   4.329 -13.935
  404    HA   ALA  55           HA       ALA  55  -1.298   7.251 -13.658
  405    HB1  ALA  55           HB1      ALA  55  -0.102   6.330 -15.570
  406    HB2  ALA  55           HB2      ALA  55  -1.477   5.286 -16.001
  407    HB3  ALA  55           HB3      ALA  55  -1.612   7.036 -16.192
  408    H    MET  56           H        MET  56  -3.260   7.973 -12.788
  409    HA   MET  56           HA       MET  56  -5.566   6.272 -12.815
  410    HB2  MET  56           HB2      MET  56  -5.431   9.226 -12.102
  411    HB3  MET  56           HB3      MET  56  -6.710   8.099 -11.667
  412    HG2  MET  56           HG2      MET  56  -3.823   8.062 -10.730
  413    HG3  MET  56           HG3      MET  56  -5.232   8.485  -9.774
  414    HE1  MET  56           HE1      MET  56  -7.002   6.765  -8.865
  415    HE2  MET  56           HE2      MET  56  -7.338   6.110 -10.484
  416    HE3  MET  56           HE3      MET  56  -6.941   5.012  -9.149
  417    H    SER  57           H        SER  57  -4.821   9.312 -14.603
  418    HA   SER  57           HA       SER  57  -6.138   8.353 -16.967
  419    HB2  SER  57           HB2      SER  57  -7.302  10.755 -15.473
  420    HB3  SER  57           HB3      SER  57  -7.628  10.394 -17.174
  421    HG   SER  57           HG       SER  57  -8.011   8.318 -15.373
  422    H    VAL  58           H        VAL  58  -5.454   9.736 -18.787
  423    HA   VAL  58           HA       VAL  58  -3.077  11.350 -18.262
  424    HB   VAL  58           HB       VAL  58  -3.247  11.727 -20.761
  425   HG11  VAL  58          HG11      VAL  58  -2.965   8.867 -19.753
  426   HG12  VAL  58          HG12      VAL  58  -2.350   9.515 -21.285
  427   HG13  VAL  58          HG13      VAL  58  -1.704  10.121 -19.754
  428   HG21  VAL  58          HG21      VAL  58  -5.666  11.134 -21.072
  429   HG22  VAL  58          HG22      VAL  58  -4.569  10.237 -22.127
  430   HG23  VAL  58          HG23      VAL  58  -5.265   9.437 -20.712
  431    H    ILE  59           H        ILE  59  -2.933  13.564 -18.760
  432    HA   ILE  59           HA       ILE  59  -5.340  15.159 -19.195
  433    HB   ILE  59           HB       ILE  59  -4.924  16.645 -17.324
  434   HG12  ILE  59          HG12      ILE  59  -2.876  14.654 -16.287
  435   HG13  ILE  59          HG13      ILE  59  -2.510  16.231 -17.001
  436   HG21  ILE  59          HG21      ILE  59  -6.561  14.793 -17.105
  437   HG22  ILE  59          HG22      ILE  59  -5.326  13.837 -16.257
  438   HG23  ILE  59          HG23      ILE  59  -5.923  15.361 -15.565
  439   HD11  ILE  59          HD11      ILE  59  -3.830  17.329 -15.187
  440   HD12  ILE  59          HD12      ILE  59  -3.966  15.748 -14.393
  441   HD13  ILE  59          HD13      ILE  59  -2.374  16.470 -14.645
  442    H    ASN  60           H        ASN  60  -4.090  17.663 -18.795
  443    HA   ASN  60           HA       ASN  60  -1.711  17.610 -20.571
  444    HB2  ASN  60           HB2      ASN  60  -2.492  19.550 -21.765
  445    HB3  ASN  60           HB3      ASN  60  -3.693  18.278 -21.909
  446   HD21  ASN  60          HD22      ASN  60  -5.830  18.873 -21.406
  447   HD22  ASN  60          HD21      ASN  60  -6.256  20.321 -20.532
  448    H    GLU  61           H        GLU  61  -0.713  19.950 -20.478
  449    HA   GLU  61           HA       GLU  61   0.388  20.106 -17.905
  450    HB2  GLU  61           HB2      GLU  61   1.333  22.349 -18.796
  451    HB3  GLU  61           HB3      GLU  61   1.801  20.866 -19.598
  452    HG2  GLU  61           HG2      GLU  61   0.332  21.240 -21.441
  453    HG3  GLU  61           HG3      GLU  61  -0.413  22.643 -20.655
  454    H    ALA  62           H        ALA  62  -2.271  22.009 -19.318
  455    HA   ALA  62           HA       ALA  62  -2.133  24.041 -17.200
  456    HB1  ALA  62           HB1      ALA  62  -2.866  24.644 -19.489
  457    HB2  ALA  62           HB2      ALA  62  -4.250  23.533 -19.345
  458    HB3  ALA  62           HB3      ALA  62  -4.140  24.956 -18.293
  459    H    GLU  63           H        GLU  63  -4.085  21.183 -18.042
  460    HA   GLU  63           HA       GLU  63  -5.952  21.351 -15.886
  461    HB2  GLU  63           HB2      GLU  63  -6.060  19.897 -17.977
  462    HB3  GLU  63           HB3      GLU  63  -4.831  18.874 -17.248
  463    HG2  GLU  63           HG2      GLU  63  -6.893  17.804 -16.833
  464    HG3  GLU  63           HG3      GLU  63  -6.443  18.514 -15.289
  465    H    ALA  64           H        ALA  64  -2.619  19.989 -16.128
  466    HA   ALA  64           HA       ALA  64  -2.574  18.880 -13.506
  467    HB1  ALA  64           HB1      ALA  64  -0.222  20.015 -15.080
  468    HB2  ALA  64           HB2      ALA  64  -0.150  18.880 -13.726
  469    HB3  ALA  64           HB3      ALA  64  -0.882  18.377 -15.263
  470    H    ARG  65           H        ARG  65  -1.817  22.233 -14.656
  471    HA   ARG  65           HA       ARG  65  -0.986  23.150 -12.033
  472    HB2  ARG  65           HB2      ARG  65  -1.922  24.625 -14.531
  473    HB3  ARG  65           HB3      ARG  65  -1.754  25.459 -12.992
  474    HG2  ARG  65           HG2      ARG  65   0.269  25.836 -14.124
  475    HG3  ARG  65           HG3      ARG  65   0.622  24.672 -12.834
  476    HD2  ARG  65           HD2      ARG  65   0.408  22.838 -14.529
  477    HD3  ARG  65           HD3      ARG  65   0.201  24.080 -15.790
  478    HE   ARG  65           HE       ARG  65   2.587  24.733 -14.595
  479   HH11  ARG  65          HH12      ARG  65   1.232  21.849 -16.111
  480   HH12  ARG  65          HH11      ARG  65   2.767  21.102 -16.462
  481   HH21  ARG  65          HH21      ARG  65   4.650  23.864 -15.211
  482   HH22  ARG  65          HH22      ARG  65   4.760  22.381 -16.075
  483    H    ASP  66           H        ASP  66  -4.149  23.191 -13.728
  484    HA   ASP  66           HA       ASP  66  -5.589  24.471 -11.650
  485    HB2  ASP  66           HB2      ASP  66  -6.521  24.083 -13.890
  486    HB3  ASP  66           HB3      ASP  66  -6.563  22.343 -13.590
  487    H    THR  67           H        THR  67  -4.816  20.993 -12.097
  488    HA   THR  67           HA       THR  67  -6.242  20.075  -9.802
  489    HB   THR  67           HB       THR  67  -3.781  18.886 -11.143
  490    HG1  THR  67           HG1      THR  67  -5.379  19.184 -12.662
  491   HG21  THR  67          HG21      THR  67  -4.643  16.731 -10.338
  492   HG22  THR  67          HG22      THR  67  -4.351  17.804  -8.969
  493   HG23  THR  67          HG23      THR  67  -6.010  17.545  -9.544
  494    H    LEU  68           H        LEU  68  -2.807  21.165 -10.207
  495    HA   LEU  68           HA       LEU  68  -2.024  20.624  -7.507
  496    HB2  LEU  68           HB2      LEU  68  -1.015  22.583  -9.609
  497    HB3  LEU  68           HB3      LEU  68  -0.258  22.435  -8.031
  498    HG   LEU  68           HG       LEU  68  -0.568  20.052  -9.901
  499   HD11  LEU  68          HD11      LEU  68   0.760  21.776 -11.041
  500   HD12  LEU  68          HD12      LEU  68   1.805  21.945  -9.612
  501   HD13  LEU  68          HD13      LEU  68   1.787  20.428 -10.541
  502   HD21  LEU  68          HD21      LEU  68   1.274  19.116  -8.546
  503   HD22  LEU  68          HD22      LEU  68   1.249  20.553  -7.504
  504   HD23  LEU  68          HD23      LEU  68  -0.146  19.456  -7.549
  505    H    ASP  69           H        ASP  69  -3.501  23.508  -9.041
  506    HA   ASP  69           HA       ASP  69  -3.451  25.183  -6.710
  507    HB2  ASP  69           HB2      ASP  69  -3.838  26.093  -8.932
  508    HB3  ASP  69           HB3      ASP  69  -5.323  25.154  -9.101
  509    H    ALA  70           H        ALA  70  -5.970  22.909  -7.987
  510    HA   ALA  70           HA       ALA  70  -7.831  23.375  -5.904
  511    HB1  ALA  70           HB1      ALA  70  -8.813  21.221  -6.568
  512    HB2  ALA  70           HB2      ALA  70  -8.389  22.190  -7.994
  513    HB3  ALA  70           HB3      ALA  70  -7.360  20.821  -7.506
  514    H    LEU  71           H        LEU  71  -5.126  21.012  -6.111
  515    HA   LEU  71           HA       LEU  71  -5.672  19.627  -3.725
  516    HB2  LEU  71           HB2      LEU  71  -4.122  18.891  -5.481
  517    HB3  LEU  71           HB3      LEU  71  -3.002  20.180  -5.097
  518    HG   LEU  71           HG       LEU  71  -2.385  17.899  -4.311
  519   HD11  LEU  71          HD11      LEU  71  -1.406  18.508  -2.249
  520   HD12  LEU  71          HD12      LEU  71  -1.432  19.964  -3.251
  521   HD13  LEU  71          HD13      LEU  71  -2.603  19.762  -1.925
  522   HD21  LEU  71          HD21      LEU  71  -3.409  16.889  -2.367
  523   HD22  LEU  71          HD22      LEU  71  -4.567  18.223  -2.209
  524   HD23  LEU  71          HD23      LEU  71  -4.639  17.131  -3.614
  525    H    GLN  72           H        GLN  72  -3.383  22.408  -4.205
  526    HA   GLN  72           HA       GLN  72  -2.869  22.564  -1.386
  527    HB2  GLN  72           HB2      GLN  72  -1.597  24.533  -1.844
  528    HB3  GLN  72           HB3      GLN  72  -1.292  23.331  -3.093
  529    HG2  GLN  72           HG2      GLN  72  -3.061  24.620  -4.491
  530    HG3  GLN  72           HG3      GLN  72  -2.883  25.913  -3.308
  531   HE21  GLN  72          HE22      GLN  72  -1.261  23.966  -5.793
  532   HE22  GLN  72          HE21      GLN  72   0.092  25.057  -6.065
  533    H    ASN  73           H        ASN  73  -5.339  24.103  -3.457
  534    HA   ASN  73           HA       ASN  73  -6.262  26.005  -1.552
  535    HB2  ASN  73           HB2      ASN  73  -6.928  25.995  -3.945
  536    HB3  ASN  73           HB3      ASN  73  -7.851  24.511  -3.685
  537   HD21  ASN  73          HD22      ASN  73  -7.692  27.982  -3.068
  538   HD22  ASN  73          HD21      ASN  73  -9.318  28.151  -2.455
  539    H    MET  74           H        MET  74  -7.256  22.564  -2.129
  540    HA   MET  74           HA       MET  74  -9.168  22.505  -0.004
  541    HB2  MET  74           HB2      MET  74  -7.546  20.309  -1.346
  542    HB3  MET  74           HB3      MET  74  -8.757  19.997  -0.094
  543    HG2  MET  74           HG2      MET  74 -10.485  21.113  -1.445
  544    HG3  MET  74           HG3      MET  74  -9.325  21.397  -2.736
  545    HE1  MET  74           HE1      MET  74  -8.674  17.822  -4.179
  546    HE2  MET  74           HE2      MET  74  -8.372  19.565  -4.346
  547    HE3  MET  74           HE3      MET  74  -7.674  18.664  -2.979
  548    H    PHE  75           H        PHE  75  -5.669  21.748  -0.067
  549    HA   PHE  75           HA       PHE  75  -5.516  20.908   2.634
  550    HB2  PHE  75           HB2      PHE  75  -3.799  20.520   0.863
  551    HB3  PHE  75           HB3      PHE  75  -3.359  22.222   0.944
  552    HD1  PHE  75           HD2      PHE  75  -3.889  19.362   3.368
  553    HD2  PHE  75           HD1      PHE  75  -1.392  22.669   2.161
  554    HE1  PHE  75           HE2      PHE  75  -2.289  18.815   5.179
  555    HE2  PHE  75           HE1      PHE  75   0.209  22.111   3.971
  556    HZ   PHE  75           HZ       PHE  75  -0.233  20.184   5.483
  557    H    ASP  76           H        ASP  76  -5.751  24.179   1.321
  558    HA   ASP  76           HA       ASP  76  -4.798  25.510   3.699
  559    HB2  ASP  76           HB2      ASP  76  -4.826  26.544   1.439
  560    HB3  ASP  76           HB3      ASP  76  -6.590  26.561   1.484
  561    H    VAL  77           H        VAL  77  -7.788  23.863   2.992
  562    HA   VAL  77           HA       VAL  77  -9.129  25.257   5.267
  563    HB   VAL  77           HB       VAL  77 -11.239  25.089   4.055
  564   HG11  VAL  77          HG11      VAL  77  -9.148  26.557   2.395
  565   HG12  VAL  77          HG12      VAL  77 -10.885  26.901   2.491
  566   HG13  VAL  77          HG13      VAL  77  -9.860  27.155   3.911
  567   HG21  VAL  77          HG21      VAL  77  -9.625  24.211   1.627
  568   HG22  VAL  77          HG22      VAL  77 -10.734  23.177   2.543
  569   HG23  VAL  77          HG23      VAL  77 -11.356  24.583   1.671
  570    H    GLU  78           H        GLU  78  -8.037  22.211   4.163
  571    HA   GLU  78           HA       GLU  78  -9.565  20.921   6.353
  572    HB2  GLU  78           HB2      GLU  78  -9.014  19.784   3.573
  573    HB3  GLU  78           HB3      GLU  78  -9.587  18.834   4.934
  574    HG2  GLU  78           HG2      GLU  78 -11.075  21.118   3.578
  575    HG3  GLU  78           HG3      GLU  78 -11.399  19.404   3.391
  576    HA   PRO  79           HA       PRO  79  -5.416  20.181   7.497
  577    HB2  PRO  79           HB2      PRO  79  -5.606  18.183   9.366
  578    HB3  PRO  79           HB3      PRO  79  -6.253  19.831   9.620
  579    HG2  PRO  79           HG2      PRO  79  -7.759  17.367   8.681
  580    HG3  PRO  79           HG3      PRO  79  -8.215  18.513   9.984
  581    HD2  PRO  79           HD2      PRO  79  -9.230  18.732   7.467
  582    HD3  PRO  79           HD3      PRO  79  -8.819  20.184   8.429
  583    H    ASP  80           H        ASP  80  -7.129  17.566   5.948
  584    HA   ASP  80           HA       ASP  80  -6.549  15.628   4.972
  585    HB2  ASP  80           HB2      ASP  80  -5.601  17.382   3.465
  586    HB3  ASP  80           HB3      ASP  80  -4.024  17.126   4.216
  587    H    VAL  81           H        VAL  81  -6.047  15.523   7.689
  588    HA   VAL  81           HA       VAL  81  -4.928  14.558   9.358
  589    HB   VAL  81           HB       VAL  81  -3.978  12.403   7.456
  590   HG11  VAL  81          HG11      VAL  81  -4.542  10.937   9.355
  591   HG12  VAL  81          HG12      VAL  81  -3.458  12.217   9.915
  592   HG13  VAL  81          HG13      VAL  81  -5.191  12.316  10.267
  593   HG21  VAL  81          HG21      VAL  81  -6.846  12.810   8.421
  594   HG22  VAL  81          HG22      VAL  81  -6.288  12.802   6.733
  595   HG23  VAL  81          HG23      VAL  81  -6.213  11.323   7.683
  596    H    GLY  82           H        GLY  82  -3.549  16.684   8.224
  597    HA2  GLY  82           HA2      GLY  82  -1.592  17.779   8.531
  598    HA3  GLY  82           HA3      GLY  82  -0.947  16.374   9.400
  599    H    ALA  83           H        ALA  83  -2.178  15.704   6.246
  600    HA   ALA  83           HA       ALA  83  -1.348  14.803   4.446
  601    HB1  ALA  83           HB1      ALA  83   0.911  16.820   4.643
  602    HB2  ALA  83           HB2      ALA  83   0.421  15.908   3.202
  603    HB3  ALA  83           HB3      ALA  83  -0.686  17.100   3.905
  604    H    LEU  84           H        LEU  84   0.273  14.250   7.326
  605    HA   LEU  84           HA       LEU  84   2.637  12.968   6.470
  606    HB2  LEU  84           HB2      LEU  84   2.236  13.602   8.794
  607    HB3  LEU  84           HB3      LEU  84   0.873  12.485   8.910
  608    HG   LEU  84           HG       LEU  84   2.374  10.552   8.674
  609   HD11  LEU  84          HD11      LEU  84   4.833  10.837   8.748
  610   HD12  LEU  84          HD12      LEU  84   4.154  11.472   7.254
  611   HD13  LEU  84          HD13      LEU  84   4.643  12.596   8.548
  612   HD21  LEU  84          HD21      LEU  84   3.541  10.756  10.822
  613   HD22  LEU  84          HD22      LEU  84   3.346  12.525  10.781
  614   HD23  LEU  84          HD23      LEU  84   1.923  11.469  10.914
  615    H    LEU  85           H        LEU  85  -0.659  11.683   6.948
  616    HA   LEU  85           HA       LEU  85  -0.057   8.959   6.282
  617    HB2  LEU  85           HB2      LEU  85  -2.584  10.641   6.410
  618    HB3  LEU  85           HB3      LEU  85  -2.654   9.025   5.757
  619    HG   LEU  85           HG       LEU  85  -3.335   9.121   8.097
  620   HD11  LEU  85          HD11      LEU  85  -0.800   7.467   7.744
  621   HD12  LEU  85          HD12      LEU  85  -2.124   7.172   8.883
  622   HD13  LEU  85          HD13      LEU  85  -2.415   7.030   7.144
  623   HD21  LEU  85          HD21      LEU  85  -1.814   9.469   9.929
  624   HD22  LEU  85          HD22      LEU  85  -0.437   9.696   8.837
  625   HD23  LEU  85          HD23      LEU  85  -1.748  10.897   8.885
  626    H    TYR  86           H        TYR  86   0.120  11.654   4.297
  627    HA   TYR  86           HA       TYR  86  -0.311  10.087   1.848
  628    HB2  TYR  86           HB2      TYR  86  -1.275  12.933   2.337
  629    HB3  TYR  86           HB3      TYR  86  -1.439  12.027   0.837
  630    HD1  TYR  86           HD2      TYR  86  -2.921   9.983   0.751
  631    HD2  TYR  86           HD1      TYR  86  -2.870  12.642   4.146
  632    HE1  TYR  86           HE2      TYR  86  -5.052   8.997   1.549
  633    HE2  TYR  86           HE1      TYR  86  -4.985  11.666   4.955
  634    HH   TYR  86           HH       TYR  86  -6.670  10.091   4.568
  635    H    GLY  87           H        GLY  87   2.083  10.677   3.364
  636    HA2  GLY  87           HA2      GLY  87   3.741  11.896   1.285
  637    HA3  GLY  87           HA3      GLY  87   3.640  12.814   2.800
  638    H    GLU  88           H        GLU  88   3.417  10.351   4.509
  639    HA   GLU  88           HA       GLU  88   4.727   9.066   5.728
  640    HB2  GLU  88           HB2      GLU  88   4.420   7.729   3.571
  641    HB3  GLU  88           HB3      GLU  88   6.094   8.133   3.185
  642    HG2  GLU  88           HG2      GLU  88   6.798   7.041   5.346
  643    HG3  GLU  88           HG3      GLU  88   5.107   6.697   5.698
  644    H    GLU  89           H        GLU  89   5.512  11.726   5.557
  645    HA   GLU  89           HA       GLU  89   8.296  12.100   5.065
  646    HB2  GLU  89           HB2      GLU  89   6.327  13.744   6.716
  647    HB3  GLU  89           HB3      GLU  89   7.933  14.279   6.200
  648    HG2  GLU  89           HG2      GLU  89   7.226  13.936   3.805
  649    HG3  GLU  89           HG3      GLU  89   5.587  13.604   4.376
  650    H    LYS  90           H        LYS  90   6.826  10.430   7.635
  651    HA   LYS  90           HA       LYS  90   9.276  10.407   9.217
  652    HB2  LYS  90           HB2      LYS  90   7.894  12.230  10.236
  653    HB3  LYS  90           HB3      LYS  90   6.552  11.088  10.422
  654    HG2  LYS  90           HG2      LYS  90   7.910   9.709  11.958
  655    HG3  LYS  90           HG3      LYS  90   9.313  10.751  11.679
  656    HD2  LYS  90           HD2      LYS  90   8.321  11.297  13.811
  657    HD3  LYS  90           HD3      LYS  90   8.106  12.661  12.704
  658    HE2  LYS  90           HE2      LYS  90   5.763  11.950  12.277
  659    HE3  LYS  90           HE3      LYS  90   5.987  10.550  13.334
  660    HZ1  LYS  90           HZ1      LYS  90   6.330  12.084  15.182
  661    HZ2  LYS  90           HZ2      LYS  90   6.127  13.380  14.206
  662    HZ3  LYS  90           HZ3      LYS  90   4.887  12.361  14.485
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1   1.511   3.053  -4.491
    2    H2   MET   1           H2       MET   1   2.601   2.187  -3.609
    3    H3   MET   1           H3       MET   1   1.002   2.123  -3.254
    4    HA   MET   1           HA       MET   1   2.055   3.465  -1.641
    5    HB2  MET   1           HB2      MET   1   3.254   5.457  -2.140
    6    HB3  MET   1           HB3      MET   1   4.004   4.159  -3.056
    7    HG2  MET   1           HG2      MET   1   2.864   4.936  -5.114
    8    HG3  MET   1           HG3      MET   1   2.050   6.206  -4.207
    9    HE1  MET   1           HE1      MET   1   4.875   8.765  -3.414
   10    HE2  MET   1           HE2      MET   1   3.155   8.357  -3.248
   11    HE3  MET   1           HE3      MET   1   4.378   7.466  -2.315
   12    H    CYS   2           H        CYS   2   0.877   5.222  -0.658
   13    HA   CYS   2           HA       CYS   2  -1.689   5.890  -1.867
   14    HB2  CYS   2           HB2      CYS   2  -0.223   7.093   0.534
   15    HB3  CYS   2           HB3      CYS   2  -1.909   7.389   0.089
   16    HG   CYS   2           HG       CYS   2  -1.815   5.782   2.156
   17    H    ILE   3           H        ILE   3  -1.914   7.420  -3.440
   18    HA   ILE   3           HA       ILE   3  -0.459   9.897  -3.443
   19    HB   ILE   3           HB       ILE   3   1.183   8.324  -4.492
   20   HG12  ILE   3          HG12      ILE   3   1.681   9.522  -6.563
   21   HG13  ILE   3          HG13      ILE   3   0.127  10.347  -6.487
   22   HG21  ILE   3          HG21      ILE   3  -0.853   7.926  -6.705
   23   HG22  ILE   3          HG22      ILE   3   0.814   7.310  -6.662
   24   HG23  ILE   3          HG23      ILE   3  -0.364   6.709  -5.492
   25   HD11  ILE   3          HD11      ILE   3   2.088  11.684  -5.624
   26   HD12  ILE   3          HD12      ILE   3   0.818  11.485  -4.405
   27   HD13  ILE   3          HD13      ILE   3   2.297  10.497  -4.329
   28    H    GLY   4           H        GLY   4  -1.530  11.375  -5.051
   29    HA2  GLY   4           HA2      GLY   4  -3.937  10.551  -6.434
   30    HA3  GLY   4           HA3      GLY   4  -4.267  11.260  -4.849
   31    H    VAL   5           H        VAL   5  -2.036  11.964  -7.650
   32    HA   VAL   5           HA       VAL   5  -2.873  14.774  -7.637
   33    HB   VAL   5           HB       VAL   5  -1.242  14.499  -5.773
   34   HG11  VAL   5          HG11      VAL   5   1.108  14.069  -6.155
   35   HG12  VAL   5          HG12      VAL   5   0.164  12.701  -6.760
   36   HG13  VAL   5          HG13      VAL   5   0.839  13.873  -7.897
   37   HG21  VAL   5          HG21      VAL   5  -0.066  16.220  -7.968
   38   HG22  VAL   5          HG22      VAL   5  -1.426  16.683  -6.906
   39   HG23  VAL   5          HG23      VAL   5   0.174  16.377  -6.221
   40    HA   PRO   6           HA       PRO   6  -1.679  14.306 -11.969
   41    HB2  PRO   6           HB2      PRO   6  -0.605  17.118 -11.684
   42    HB3  PRO   6           HB3      PRO   6  -1.601  16.425 -12.998
   43    HG2  PRO   6           HG2      PRO   6  -2.742  17.967 -11.095
   44    HG3  PRO   6           HG3      PRO   6  -3.562  16.466 -11.620
   45    HD2  PRO   6           HD2      PRO   6  -1.868  16.941  -9.169
   46    HD3  PRO   6           HD3      PRO   6  -3.419  16.060  -9.307
   47    H    GLY   7           H        GLY   7   0.210  14.192 -13.343
   48    HA2  GLY   7           HA2      GLY   7   2.811  15.138 -12.511
   49    HA3  GLY   7           HA3      GLY   7   2.674  13.366 -12.496
   50    H    GLN   8           H        GLN   8   4.432  14.285 -14.308
   51    HA   GLN   8           HA       GLN   8   2.992  14.138 -16.931
   52    HB2  GLN   8           HB2      GLN   8   4.243  16.306 -16.387
   53    HB3  GLN   8           HB3      GLN   8   5.731  15.352 -16.430
   54    HG2  GLN   8           HG2      GLN   8   5.195  14.703 -18.798
   55    HG3  GLN   8           HG3      GLN   8   3.711  15.657 -18.699
   56   HE21  GLN   8          HE22      GLN   8   4.490  16.919 -20.549
   57   HE22  GLN   8          HE21      GLN   8   5.715  18.156 -20.309
   58    H    ILE   9           H        ILE   9   3.543  12.363 -18.204
   59    HA   ILE   9           HA       ILE   9   5.145  10.258 -17.006
   60    HB   ILE   9           HB       ILE   9   4.064  10.526 -19.834
   61   HG12  ILE   9          HG12      ILE   9   2.897   9.018 -17.442
   62   HG13  ILE   9          HG13      ILE   9   2.301  10.575 -18.020
   63   HG21  ILE   9          HG21      ILE   9   4.390   8.059 -19.922
   64   HG22  ILE   9          HG22      ILE   9   5.924   8.864 -19.634
   65   HG23  ILE   9          HG23      ILE   9   5.079   8.072 -18.289
   66   HD11  ILE   9          HD11      ILE   9   2.194   7.979 -19.585
   67   HD12  ILE   9          HD12      ILE   9   0.854   8.841 -18.820
   68   HD13  ILE   9          HD13      ILE   9   1.704   9.587 -20.182
   69    H    ARG  10           H        ARG  10   7.366  10.209 -17.005
   70    HA   ARG  10           HA       ARG  10   8.726  12.216 -18.736
   71    HB2  ARG  10           HB2      ARG  10   8.749  12.579 -16.290
   72    HB3  ARG  10           HB3      ARG  10   9.483  11.012 -16.055
   73    HG2  ARG  10           HG2      ARG  10  11.229  12.603 -15.845
   74    HG3  ARG  10           HG3      ARG  10  11.490  11.794 -17.383
   75    HD2  ARG  10           HD2      ARG  10  11.884  14.165 -17.655
   76    HD3  ARG  10           HD3      ARG  10  10.432  13.736 -18.552
   77    HE   ARG  10           HE       ARG  10  10.405  14.965 -15.807
   78   HH11  ARG  10          HH12      ARG  10   9.239  15.101 -19.180
   79   HH12  ARG  10          HH11      ARG  10   8.043  16.310 -18.805
   80   HH21  ARG  10          HH21      ARG  10   8.766  16.538 -15.386
   81   HH22  ARG  10          HH22      ARG  10   7.753  17.071 -16.716
   82    H    THR  11           H        THR  11   8.987   8.803 -17.543
   83    HA   THR  11           HA       THR  11  10.148   8.121 -20.154
   84    HB   THR  11           HB       THR  11  11.716   6.508 -18.913
   85    HG1  THR  11           HG1      THR  11  12.222   6.902 -16.888
   86   HG21  THR  11          HG21      THR  11  12.510   8.524 -20.177
   87   HG22  THR  11          HG22      THR  11  12.434   9.456 -18.663
   88   HG23  THR  11          HG23      THR  11  13.542   8.079 -18.809
   89    H    ILE  12           H        ILE  12   9.962   5.698 -20.499
   90    HA   ILE  12           HA       ILE  12   7.764   4.444 -18.972
   91    HB   ILE  12           HB       ILE  12   7.886   4.768 -21.996
   92   HG12  ILE  12          HG12      ILE  12   5.858   5.758 -19.936
   93   HG13  ILE  12          HG13      ILE  12   6.994   6.751 -20.838
   94   HG21  ILE  12          HG21      ILE  12   5.878   3.159 -20.343
   95   HG22  ILE  12          HG22      ILE  12   5.815   3.431 -22.100
   96   HG23  ILE  12          HG23      ILE  12   7.113   2.484 -21.433
   97   HD11  ILE  12          HD11      ILE  12   4.920   7.043 -21.913
   98   HD12  ILE  12          HD12      ILE  12   5.832   5.954 -22.971
   99   HD13  ILE  12          HD13      ILE  12   4.559   5.315 -21.898
  100    H    ASP  13           H        ASP  13   7.958   2.139 -18.960
  101    HA   ASP  13           HA       ASP  13  10.520   1.038 -20.055
  102    HB2  ASP  13           HB2      ASP  13  10.669   1.385 -17.636
  103    HB3  ASP  13           HB3      ASP  13   9.165   0.493 -17.392
  104    H    GLY  14           H        GLY  14   7.056   0.607 -19.560
  105    HA2  GLY  14           HA2      GLY  14   6.629  -1.193 -21.653
  106    HA3  GLY  14           HA3      GLY  14   6.840  -2.165 -20.177
  107    H    ASN  15           H        ASN  15   4.800  -2.640 -19.373
  108    HA   ASN  15           HA       ASN  15   2.560  -0.806 -19.535
  109    HB2  ASN  15           HB2      ASN  15   2.404  -3.320 -19.105
  110    HB3  ASN  15           HB3      ASN  15   2.947  -2.997 -17.453
  111   HD21  ASN  15          HD22      ASN  15   1.351  -2.058 -15.921
  112   HD22  ASN  15          HD21      ASN  15  -0.291  -1.797 -16.429
  113    H    GLN  16           H        GLN  16   5.377  -1.067 -17.460
  114    HA   GLN  16           HA       GLN  16   4.276   0.923 -15.565
  115    HB2  GLN  16           HB2      GLN  16   6.795  -0.795 -15.490
  116    HB3  GLN  16           HB3      GLN  16   6.478   0.547 -14.371
  117    HG2  GLN  16           HG2      GLN  16   4.298  -0.487 -13.791
  118    HG3  GLN  16           HG3      GLN  16   4.725  -1.922 -14.730
  119   HE21  GLN  16          HE22      GLN  16   4.051  -1.731 -11.904
  120   HE22  GLN  16          HE21      GLN  16   5.455  -2.303 -11.001
  121    H    ALA  17           H        ALA  17   5.476   2.775 -15.090
  122    HA   ALA  17           HA       ALA  17   7.378   3.832 -17.056
  123    HB1  ALA  17           HB1      ALA  17   5.906   5.798 -17.512
  124    HB2  ALA  17           HB2      ALA  17   5.167   4.289 -18.071
  125    HB3  ALA  17           HB3      ALA  17   4.622   5.051 -16.553
  126    H    LYS  18           H        LYS  18   7.831   6.210 -16.348
  127    HA   LYS  18           HA       LYS  18   7.663   6.474 -13.393
  128    HB2  LYS  18           HB2      LYS  18  10.134   6.854 -15.110
  129    HB3  LYS  18           HB3      LYS  18   9.962   7.447 -13.449
  130    HG2  LYS  18           HG2      LYS  18   9.620   5.135 -12.641
  131    HG3  LYS  18           HG3      LYS  18   9.810   4.524 -14.298
  132    HD2  LYS  18           HD2      LYS  18  12.108   5.456 -14.379
  133    HD3  LYS  18           HD3      LYS  18  11.920   6.058 -12.715
  134    HE2  LYS  18           HE2      LYS  18  11.550   3.732 -11.918
  135    HE3  LYS  18           HE3      LYS  18  11.726   3.132 -13.572
  136    HZ1  LYS  18           HZ1      LYS  18  13.776   2.898 -12.328
  137    HZ2  LYS  18           HZ2      LYS  18  14.015   3.943 -13.553
  138    HZ3  LYS  18           HZ3      LYS  18  13.854   4.495 -12.021
  139    H    VAL  19           H        VAL  19   6.194   8.054 -13.288
  140    HA   VAL  19           HA       VAL  19   6.114  10.307 -15.154
  141    HB   VAL  19           HB       VAL  19   4.475  11.155 -13.403
  142   HG11  VAL  19          HG11      VAL  19   3.576  10.158 -15.372
  143   HG12  VAL  19          HG12      VAL  19   3.903   8.512 -14.788
  144   HG13  VAL  19          HG13      VAL  19   2.664   9.520 -14.008
  145   HG21  VAL  19          HG21      VAL  19   4.598   8.353 -12.244
  146   HG22  VAL  19          HG22      VAL  19   5.358   9.768 -11.491
  147   HG23  VAL  19          HG23      VAL  19   3.610   9.714 -11.697
  148    H    ASP  20           H        ASP  20   6.382  12.501 -14.221
  149    HA   ASP  20           HA       ASP  20   8.400  12.706 -12.026
  150    HB2  ASP  20           HB2      ASP  20   9.401  13.607 -13.988
  151    HB3  ASP  20           HB3      ASP  20   7.890  14.361 -14.507
  152    H    VAL  21           H        VAL  21   7.372  13.233 -10.228
  153    HA   VAL  21           HA       VAL  21   4.656  14.391 -10.334
  154    HB   VAL  21           HB       VAL  21   6.160  13.175  -7.965
  155   HG11  VAL  21          HG11      VAL  21   4.290  14.697  -7.297
  156   HG12  VAL  21          HG12      VAL  21   3.200  13.838  -8.402
  157   HG13  VAL  21          HG13      VAL  21   3.880  13.011  -6.983
  158   HG21  VAL  21          HG21      VAL  21   4.667  11.215  -8.348
  159   HG22  VAL  21          HG22      VAL  21   4.103  11.951  -9.864
  160   HG23  VAL  21          HG23      VAL  21   5.801  11.460  -9.678
  161    H    CYS  22           H        CYS  22   6.006  16.166 -11.322
  162    HA   CYS  22           HA       CYS  22   6.938  18.208 -11.332
  163    HB2  CYS  22           HB2      CYS  22   5.143  18.572  -8.905
  164    HB3  CYS  22           HB3      CYS  22   5.706  19.840 -10.001
  165    HG   CYS  22           HG       CYS  22   3.176  19.348 -10.442
  166    H    GLY  23           H        GLY  23   8.854  16.534 -10.167
  167    HA2  GLY  23           HA2      GLY  23  10.680  18.272  -9.189
  168    HA3  GLY  23           HA3      GLY  23   9.847  17.798  -7.701
  169    H    ILE  24           H        ILE  24   9.396  14.968  -8.822
  170    HA   ILE  24           HA       ILE  24  12.083  13.915  -9.082
  171    HB   ILE  24           HB       ILE  24  11.752  14.199  -6.593
  172   HG12  ILE  24          HG12      ILE  24  12.450  11.967  -5.890
  173   HG13  ILE  24          HG13      ILE  24  11.983  11.284  -7.443
  174   HG21  ILE  24          HG21      ILE  24   9.299  13.747  -6.521
  175   HG22  ILE  24          HG22      ILE  24   9.634  12.038  -6.884
  176   HG23  ILE  24          HG23      ILE  24  10.217  12.762  -5.372
  177   HD11  ILE  24          HD11      ILE  24  14.126  13.426  -7.053
  178   HD12  ILE  24          HD12      ILE  24  14.435  11.685  -7.211
  179   HD13  ILE  24          HD13      ILE  24  13.750  12.578  -8.574
  180    H    GLN  25           H        GLN  25  12.017  11.693  -9.826
  181    HA   GLN  25           HA       GLN  25   9.550  11.166 -11.280
  182    HB2  GLN  25           HB2      GLN  25  12.259   9.804 -11.310
  183    HB3  GLN  25           HB3      GLN  25  10.830   9.085 -12.058
  184    HG2  GLN  25           HG2      GLN  25  10.511  11.270 -13.348
  185    HG3  GLN  25           HG3      GLN  25  12.125  11.731 -12.800
  186   HE21  GLN  25          HE22      GLN  25  10.245   9.499 -14.869
  187   HE22  GLN  25          HE21      GLN  25  11.595   8.859 -15.753
  188    H    ARG  26           H        ARG  26   8.241   9.338 -11.032
  189    HA   ARG  26           HA       ARG  26   8.702   7.600  -8.690
  190    HB2  ARG  26           HB2      ARG  26   6.196   9.254  -9.223
  191    HB3  ARG  26           HB3      ARG  26   6.175   7.841  -8.200
  192    HG2  ARG  26           HG2      ARG  26   7.805  10.376  -7.697
  193    HG3  ARG  26           HG3      ARG  26   6.331   9.893  -6.867
  194    HD2  ARG  26           HD2      ARG  26   9.051   8.541  -6.695
  195    HD3  ARG  26           HD3      ARG  26   8.202   9.411  -5.428
  196    HE   ARG  26           HE       ARG  26   6.478   7.682  -5.418
  197   HH11  ARG  26          HH11      ARG  26   9.658   6.611  -6.693
  198   HH12  ARG  26          HH12      ARG  26   9.051   5.002  -7.043
  199   HH21  ARG  26          HH21      ARG  26   5.859   5.466  -5.811
  200   HH22  ARG  26          HH22      ARG  26   7.008   4.405  -6.607
  201    H    ASP  27           H        ASP  27   8.160   5.528  -9.086
  202    HA   ASP  27           HA       ASP  27   7.497   4.730 -11.779
  203    HB2  ASP  27           HB2      ASP  27   7.739   2.492 -10.977
  204    HB3  ASP  27           HB3      ASP  27   9.060   3.454 -10.326
  205    H    VAL  28           H        VAL  28   5.585   3.897 -12.532
  206    HA   VAL  28           HA       VAL  28   3.231   3.555 -10.803
  207    HB   VAL  28           HB       VAL  28   1.876   4.975 -12.361
  208   HG11  VAL  28          HG11      VAL  28   2.531   5.885 -10.187
  209   HG12  VAL  28          HG12      VAL  28   4.017   6.552 -10.894
  210   HG13  VAL  28          HG13      VAL  28   2.442   7.144 -11.436
  211   HG21  VAL  28          HG21      VAL  28   3.440   5.042 -14.300
  212   HG22  VAL  28          HG22      VAL  28   2.887   6.639 -13.795
  213   HG23  VAL  28          HG23      VAL  28   4.527   6.097 -13.370
  214    H    ASP  29           H        ASP  29   1.408   2.646 -12.152
  215    HA   ASP  29           HA       ASP  29   2.368   1.040 -14.494
  216    HB2  ASP  29           HB2      ASP  29   0.465   0.449 -12.260
  217    HB3  ASP  29           HB3      ASP  29  -0.026  -0.056 -13.873
  218    H    LEU  30           H        LEU  30   1.225   1.230 -16.387
  219    HA   LEU  30           HA       LEU  30  -0.629   3.554 -16.592
  220    HB2  LEU  30           HB2      LEU  30   1.322   2.389 -18.613
  221    HB3  LEU  30           HB3      LEU  30   0.236   3.728 -18.910
  222    HG   LEU  30           HG       LEU  30   2.684   3.713 -17.140
  223   HD11  LEU  30          HD11      LEU  30   1.801   5.347 -19.575
  224   HD12  LEU  30          HD12      LEU  30   3.301   5.608 -18.687
  225   HD13  LEU  30          HD13      LEU  30   3.050   4.076 -19.543
  226   HD21  LEU  30          HD21      LEU  30   2.185   6.100 -16.628
  227   HD22  LEU  30          HD22      LEU  30   0.585   5.912 -17.374
  228   HD23  LEU  30          HD23      LEU  30   1.014   5.004 -15.899
  229    H    THR  31           H        THR  31  -1.285   0.568 -16.114
  230    HA   THR  31           HA       THR  31  -2.062  -0.742 -18.367
  231    HB   THR  31           HB       THR  31  -3.810  -0.880 -15.911
  232    HG1  THR  31           HG1      THR  31  -2.201  -1.799 -14.732
  233   HG21  THR  31          HG21      THR  31  -4.052  -2.580 -17.714
  234   HG22  THR  31          HG22      THR  31  -2.336  -3.007 -17.538
  235   HG23  THR  31          HG23      THR  31  -3.476  -3.308 -16.206
  236    H    LEU  32           H        LEU  32  -3.882   1.850 -16.744
  237    HA   LEU  32           HA       LEU  32  -6.326   1.359 -18.247
  238    HB2  LEU  32           HB2      LEU  32  -5.516   3.716 -16.511
  239    HB3  LEU  32           HB3      LEU  32  -7.139   3.382 -17.092
  240    HG   LEU  32           HG       LEU  32  -5.569   1.609 -15.164
  241   HD11  LEU  32          HD11      LEU  32  -7.912   3.492 -14.679
  242   HD12  LEU  32          HD12      LEU  32  -7.206   2.377 -13.484
  243   HD13  LEU  32          HD13      LEU  32  -6.235   3.704 -14.125
  244   HD21  LEU  32          HD21      LEU  32  -7.740   0.433 -14.839
  245   HD22  LEU  32          HD22      LEU  32  -8.444   1.386 -16.163
  246   HD23  LEU  32          HD23      LEU  32  -7.121   0.240 -16.478
  247    H    VAL  33           H        VAL  33  -3.402   2.911 -19.110
  248    HA   VAL  33           HA       VAL  33  -4.807   4.467 -21.225
  249    HB   VAL  33           HB       VAL  33  -3.202   6.249 -21.020
  250   HG11  VAL  33          HG11      VAL  33  -4.391   5.648 -18.274
  251   HG12  VAL  33          HG12      VAL  33  -3.899   7.226 -18.896
  252   HG13  VAL  33          HG13      VAL  33  -5.260   6.374 -19.644
  253   HG21  VAL  33          HG21      VAL  33  -1.592   6.430 -19.188
  254   HG22  VAL  33          HG22      VAL  33  -2.023   4.813 -18.603
  255   HG23  VAL  33          HG23      VAL  33  -1.226   5.019 -20.183
  256    H    GLY  34           H        GLY  34  -2.663   1.927 -20.606
  257    HA2  GLY  34           HA2      GLY  34  -1.813   0.456 -22.099
  258    HA3  GLY  34           HA3      GLY  34  -2.453   1.447 -23.416
  259    H    SER  35           H        SER  35  -0.277   3.049 -21.238
  260    HA   SER  35           HA       SER  35   1.664   4.102 -21.508
  261    HB2  SER  35           HB2      SER  35   2.597   1.573 -22.892
  262    HB3  SER  35           HB3      SER  35   3.591   2.779 -22.066
  263    HG   SER  35           HG       SER  35   3.284   1.157 -20.655
  264    H    CYS  36           H        CYS  36   0.124   3.345 -24.506
  265    HA   CYS  36           HA       CYS  36   1.777   5.403 -25.866
  266    HB2  CYS  36           HB2      CYS  36   0.787   2.773 -27.054
  267    HB3  CYS  36           HB3      CYS  36   1.619   4.065 -27.928
  268    HG   CYS  36           HG       CYS  36   2.699   2.205 -25.418
  269    H    ASP  37           H        ASP  37   0.679   6.498 -27.540
  270    HA   ASP  37           HA       ASP  37  -2.163   7.026 -27.213
  271    HB2  ASP  37           HB2      ASP  37  -0.629   8.771 -27.990
  272    HB3  ASP  37           HB3      ASP  37  -0.077   7.744 -29.318
  273    H    GLU  38           H        GLU  38  -3.740   6.584 -28.934
  274    HA   GLU  38           HA       GLU  38  -4.064   3.968 -29.701
  275    HB2  GLU  38           HB2      GLU  38  -5.721   5.884 -29.687
  276    HB3  GLU  38           HB3      GLU  38  -5.017   6.434 -31.218
  277    HG2  GLU  38           HG2      GLU  38  -5.680   4.309 -32.297
  278    HG3  GLU  38           HG3      GLU  38  -6.283   3.691 -30.756
  279    H    ASN  39           H        ASN  39  -2.446   6.583 -31.577
  280    HA   ASN  39           HA       ASN  39  -2.192   4.887 -33.943
  281    HB2  ASN  39           HB2      ASN  39  -2.652   7.251 -34.174
  282    HB3  ASN  39           HB3      ASN  39  -1.196   7.675 -33.287
  283   HD21  ASN  39          HD22      ASN  39   0.757   7.699 -34.345
  284   HD22  ASN  39          HD21      ASN  39   0.948   7.410 -36.074
  285    H    GLY  40           H        GLY  40  -0.321   5.271 -31.052
  286    HA2  GLY  40           HA2      GLY  40   1.171   3.342 -30.874
  287    HA3  GLY  40           HA3      GLY  40   1.976   3.860 -32.352
  288    H    GLN  41           H        GLN  41   1.586   6.782 -30.938
  289    HA   GLN  41           HA       GLN  41   4.358   6.945 -30.378
  290    HB2  GLN  41           HB2      GLN  41   2.257   8.919 -29.374
  291    HB3  GLN  41           HB3      GLN  41   3.976   9.198 -29.590
  292    HG2  GLN  41           HG2      GLN  41   3.011  10.284 -31.416
  293    HG3  GLN  41           HG3      GLN  41   3.601   8.770 -32.107
  294   HE21  GLN  41          HE22      GLN  41   0.639  10.431 -30.858
  295   HE22  GLN  41          HE21      GLN  41  -0.499   9.286 -31.547
  296    HA   PRO  42           HA       PRO  42   4.214   5.639 -26.004
  297    HB2  PRO  42           HB2      PRO  42   6.654   6.590 -25.142
  298    HB3  PRO  42           HB3      PRO  42   6.451   5.090 -26.096
  299    HG2  PRO  42           HG2      PRO  42   7.220   7.848 -27.084
  300    HG3  PRO  42           HG3      PRO  42   7.953   6.271 -27.509
  301    HD2  PRO  42           HD2      PRO  42   6.108   7.523 -29.094
  302    HD3  PRO  42           HD3      PRO  42   6.178   5.739 -28.963
  303    H    ARG  43           H        ARG  43   3.430   6.723 -24.177
  304    HA   ARG  43           HA       ARG  43   2.523   9.386 -24.668
  305    HB2  ARG  43           HB2      ARG  43   2.287   7.605 -22.207
  306    HB3  ARG  43           HB3      ARG  43   1.466   9.161 -22.398
  307    HG2  ARG  43           HG2      ARG  43   0.346   8.318 -24.464
  308    HG3  ARG  43           HG3      ARG  43   1.031   6.732 -24.143
  309    HD2  ARG  43           HD2      ARG  43  -0.065   6.702 -21.908
  310    HD3  ARG  43           HD3      ARG  43  -0.785   8.279 -22.240
  311    HE   ARG  43           HE       ARG  43  -1.640   5.676 -23.214
  312   HH11  ARG  43          HH21      ARG  43  -1.812   9.175 -23.953
  313   HH12  ARG  43          HH22      ARG  43  -3.273   9.005 -24.867
  314   HH21  ARG  43          HH11      ARG  43  -3.478   5.480 -24.361
  315   HH22  ARG  43          HH12      ARG  43  -4.297   6.840 -25.067
  316    H    VAL  44           H        VAL  44   5.620   9.016 -24.045
  317    HA   VAL  44           HA       VAL  44   6.135  10.444 -21.638
  318    HB   VAL  44           HB       VAL  44   8.314  10.978 -22.760
  319   HG11  VAL  44          HG11      VAL  44   7.963   8.969 -21.359
  320   HG12  VAL  44          HG12      VAL  44   7.513   8.041 -22.810
  321   HG13  VAL  44          HG13      VAL  44   9.153   8.693 -22.640
  322   HG21  VAL  44          HG21      VAL  44   7.311   9.215 -25.043
  323   HG22  VAL  44          HG22      VAL  44   7.609  10.962 -25.148
  324   HG23  VAL  44          HG23      VAL  44   8.948   9.855 -24.832
  325    H    GLY  45           H        GLY  45   6.103  12.556 -21.138
  326    HA2  GLY  45           HA2      GLY  45   6.070  14.859 -21.491
  327    HA3  GLY  45           HA3      GLY  45   5.681  14.627 -23.200
  328    H    GLN  46           H        GLN  46   3.447  12.562 -22.096
  329    HA   GLN  46           HA       GLN  46   1.353  14.595 -22.088
  330    HB2  GLN  46           HB2      GLN  46   1.228  11.575 -21.671
  331    HB3  GLN  46           HB3      GLN  46  -0.165  12.655 -21.782
  332    HG2  GLN  46           HG2      GLN  46   0.499  13.362 -24.045
  333    HG3  GLN  46           HG3      GLN  46   1.920  12.320 -23.979
  334   HE21  GLN  46          HE22      GLN  46   0.858  11.592 -26.082
  335   HE22  GLN  46          HE21      GLN  46  -0.293  10.288 -25.972
  336    H    TRP  47           H        TRP  47   0.055  15.185 -20.350
  337    HA   TRP  47           HA       TRP  47   1.133  14.684 -17.642
  338    HB2  TRP  47           HB2      TRP  47  -0.920  16.631 -18.739
  339    HB3  TRP  47           HB3      TRP  47  -0.682  16.334 -17.019
  340    HD1  TRP  47           HD1      TRP  47   1.269  17.703 -20.042
  341    HE1  TRP  47           HE1      TRP  47   3.193  19.160 -19.221
  342    HE3  TRP  47           HE3      TRP  47   0.802  16.875 -15.014
  343    HZ2  TRP  47           HZ2      TRP  47   4.375  19.921 -16.675
  344    HZ3  TRP  47           HZ3      TRP  47   2.346  17.966 -13.414
  345    HH2  TRP  47           HH2      TRP  47   4.133  19.488 -14.229
  346    H    VAL  48           H        VAL  48  -0.203  13.775 -16.025
  347    HA   VAL  48           HA       VAL  48  -2.615  12.327 -16.892
  348    HB   VAL  48           HB       VAL  48  -0.566  11.098 -17.681
  349   HG11  VAL  48          HG11      VAL  48   0.032  10.642 -14.737
  350   HG12  VAL  48          HG12      VAL  48   0.833   9.860 -16.105
  351   HG13  VAL  48          HG13      VAL  48   1.011  11.605 -15.863
  352   HG21  VAL  48          HG21      VAL  48  -1.226   8.917 -16.995
  353   HG22  VAL  48          HG22      VAL  48  -2.174   9.565 -15.631
  354   HG23  VAL  48          HG23      VAL  48  -2.651   9.901 -17.314
  355    H    LEU  49           H        LEU  49  -3.879  11.635 -15.151
  356    HA   LEU  49           HA       LEU  49  -3.282  12.753 -12.468
  357    HB2  LEU  49           HB2      LEU  49  -5.566  11.029 -13.554
  358    HB3  LEU  49           HB3      LEU  49  -5.440  11.566 -11.883
  359    HG   LEU  49           HG       LEU  49  -5.754  13.388 -14.298
  360   HD11  LEU  49          HD11      LEU  49  -7.738  12.625 -12.112
  361   HD12  LEU  49          HD12      LEU  49  -8.030  13.748 -13.460
  362   HD13  LEU  49          HD13      LEU  49  -7.761  12.027 -13.783
  363   HD21  LEU  49          HD21      LEU  49  -4.535  14.547 -12.500
  364   HD22  LEU  49          HD22      LEU  49  -6.179  15.172 -12.620
  365   HD23  LEU  49          HD23      LEU  49  -5.758  14.043 -11.312
  366    H    VAL  50           H        VAL  50  -2.299  11.503 -10.869
  367    HA   VAL  50           HA       VAL  50  -2.047   8.574 -11.394
  368    HB   VAL  50           HB       VAL  50  -0.141  10.434  -9.907
  369   HG11  VAL  50          HG11      VAL  50  -0.150   8.117  -9.032
  370   HG12  VAL  50          HG12      VAL  50   0.124   7.491 -10.672
  371   HG13  VAL  50          HG13      VAL  50   1.356   8.493  -9.860
  372   HG21  VAL  50          HG21      VAL  50   1.416   9.995 -11.789
  373   HG22  VAL  50          HG22      VAL  50   0.122   9.147 -12.664
  374   HG23  VAL  50          HG23      VAL  50  -0.002  10.890 -12.313
  375    H    HIS  51           H        HIS  51  -3.128   7.358  -9.917
  376    HA   HIS  51           HA       HIS  51  -3.564   8.436  -7.188
  377    HB2  HIS  51           HB2      HIS  51  -5.708   7.114  -8.881
  378    HB3  HIS  51           HB3      HIS  51  -5.844   7.482  -7.176
  379    HD1  HIS  51           HD1      HIS  51  -4.414  10.537  -8.635
  380    HD2  HIS  51           HD2      HIS  51  -8.164   8.640  -8.472
  381    HE1  HIS  51           HE1      HIS  51  -6.156  12.341  -9.127
  382    H    VAL  52           H        VAL  52  -3.247   6.855  -5.689
  383    HA   VAL  52           HA       VAL  52  -2.248   5.024  -4.847
  384    HB   VAL  52           HB       VAL  52  -3.692   3.056  -4.890
  385   HG11  VAL  52          HG11      VAL  52  -5.628   4.129  -3.884
  386   HG12  VAL  52          HG12      VAL  52  -4.153   4.982  -3.415
  387   HG13  VAL  52          HG13      VAL  52  -5.228   5.677  -4.650
  388   HG21  VAL  52          HG21      VAL  52  -5.473   4.534  -6.876
  389   HG22  VAL  52          HG22      VAL  52  -4.462   3.133  -7.283
  390   HG23  VAL  52          HG23      VAL  52  -5.776   2.967  -6.110
  391    H    GLY  53           H        GLY  53  -0.957   5.656  -7.380
  392    HA2  GLY  53           HA2      GLY  53   1.076   4.717  -8.078
  393    HA3  GLY  53           HA3      GLY  53   0.504   3.100  -7.660
  394    H    PHE  54           H        PHE  54  -1.948   4.700  -9.456
  395    HA   PHE  54           HA       PHE  54  -0.967   3.493 -12.004
  396    HB2  PHE  54           HB2      PHE  54  -3.745   3.446 -10.771
  397    HB3  PHE  54           HB3      PHE  54  -3.388   2.987 -12.425
  398    HD1  PHE  54           HD1      PHE  54  -2.920   2.032  -8.864
  399    HD2  PHE  54           HD2      PHE  54  -2.380   0.849 -12.979
  400    HE1  PHE  54           HE1      PHE  54  -2.438  -0.290  -8.134
  401    HE2  PHE  54           HE2      PHE  54  -1.909  -1.474 -12.244
  402    HZ   PHE  54           HZ       PHE  54  -1.932  -2.049  -9.824
  403    H    ALA  55           H        ALA  55  -1.438   4.590 -13.858
  404    HA   ALA  55           HA       ALA  55  -2.165   7.424 -13.737
  405    HB1  ALA  55           HB1      ALA  55  -1.674   5.413 -15.974
  406    HB2  ALA  55           HB2      ALA  55  -2.228   7.054 -16.283
  407    HB3  ALA  55           HB3      ALA  55  -0.657   6.798 -15.483
  408    H    MET  56           H        MET  56  -4.282   8.056 -13.541
  409    HA   MET  56           HA       MET  56  -6.419   6.064 -14.059
  410    HB2  MET  56           HB2      MET  56  -6.444   8.790 -12.708
  411    HB3  MET  56           HB3      MET  56  -7.888   7.811 -12.995
  412    HG2  MET  56           HG2      MET  56  -5.474   6.950 -11.358
  413    HG3  MET  56           HG3      MET  56  -7.021   7.510 -10.721
  414    HE1  MET  56           HE1      MET  56  -7.019   5.209  -9.146
  415    HE2  MET  56           HE2      MET  56  -6.768   3.604  -9.864
  416    HE3  MET  56           HE3      MET  56  -5.468   4.813  -9.924
  417    H    SER  57           H        SER  57  -5.497   9.388 -15.176
  418    HA   SER  57           HA       SER  57  -6.951   8.909 -17.697
  419    HB2  SER  57           HB2      SER  57  -7.507  11.365 -15.981
  420    HB3  SER  57           HB3      SER  57  -8.300  10.907 -17.490
  421    HG   SER  57           HG       SER  57  -9.191   9.101 -16.361
  422    H    VAL  58           H        VAL  58  -5.972  10.024 -19.374
  423    HA   VAL  58           HA       VAL  58  -3.533  11.570 -18.869
  424    HB   VAL  58           HB       VAL  58  -5.087  11.016 -21.440
  425   HG11  VAL  58          HG11      VAL  58  -2.980  11.614 -22.589
  426   HG12  VAL  58          HG12      VAL  58  -3.603  12.985 -21.672
  427   HG13  VAL  58          HG13      VAL  58  -2.244  12.036 -21.028
  428   HG21  VAL  58          HG21      VAL  58  -2.669   9.601 -20.217
  429   HG22  VAL  58          HG22      VAL  58  -4.280   8.905 -20.520
  430   HG23  VAL  58          HG23      VAL  58  -3.256   9.356 -21.874
  431    H    ILE  59           H        ILE  59  -3.383  13.822 -19.147
  432    HA   ILE  59           HA       ILE  59  -5.827  15.415 -19.565
  433    HB   ILE  59           HB       ILE  59  -5.491  16.723 -17.558
  434   HG12  ILE  59          HG12      ILE  59  -3.261  14.789 -16.833
  435   HG13  ILE  59          HG13      ILE  59  -3.080  16.497 -17.255
  436   HG21  ILE  59          HG21      ILE  59  -5.690  13.814 -16.725
  437   HG22  ILE  59          HG22      ILE  59  -6.412  15.233 -15.938
  438   HG23  ILE  59          HG23      ILE  59  -6.995  14.725 -17.519
  439   HD11  ILE  59          HD11      ILE  59  -2.900  16.300 -14.888
  440   HD12  ILE  59          HD12      ILE  59  -4.462  17.078 -15.233
  441   HD13  ILE  59          HD13      ILE  59  -4.391  15.361 -14.769
  442    H    ASN  60           H        ASN  60  -4.706  17.896 -18.974
  443    HA   ASN  60           HA       ASN  60  -2.314  18.154 -20.700
  444    HB2  ASN  60           HB2      ASN  60  -3.298  20.067 -21.845
  445    HB3  ASN  60           HB3      ASN  60  -4.289  18.645 -22.103
  446   HD21  ASN  60          HD22      ASN  60  -6.490  19.092 -21.950
  447   HD22  ASN  60          HD21      ASN  60  -7.178  20.326 -20.925
  448    H    GLU  61           H        GLU  61  -1.570  20.628 -20.421
  449    HA   GLU  61           HA       GLU  61  -0.709  20.740 -17.729
  450    HB2  GLU  61           HB2      GLU  61  -0.568  22.696 -20.051
  451    HB3  GLU  61           HB3      GLU  61  -0.020  23.155 -18.437
  452    HG2  GLU  61           HG2      GLU  61   1.479  21.163 -18.393
  453    HG3  GLU  61           HG3      GLU  61   1.058  20.844 -20.085
  454    H    ALA  62           H        ALA  62  -3.484  22.368 -19.291
  455    HA   ALA  62           HA       ALA  62  -3.724  24.376 -17.193
  456    HB1  ALA  62           HB1      ALA  62  -5.897  24.873 -18.214
  457    HB2  ALA  62           HB2      ALA  62  -4.642  24.760 -19.462
  458    HB3  ALA  62           HB3      ALA  62  -5.794  23.423 -19.227
  459    H    GLU  63           H        GLU  63  -5.274  21.242 -17.955
  460    HA   GLU  63           HA       GLU  63  -6.977  21.162 -15.635
  461    HB2  GLU  63           HB2      GLU  63  -5.810  18.985 -17.419
  462    HB3  GLU  63           HB3      GLU  63  -6.989  18.667 -16.147
  463    HG2  GLU  63           HG2      GLU  63  -7.449  20.484 -18.557
  464    HG3  GLU  63           HG3      GLU  63  -7.990  18.818 -18.418
  465    H    ALA  64           H        ALA  64  -3.627  19.987 -16.259
  466    HA   ALA  64           HA       ALA  64  -3.297  18.675 -13.761
  467    HB1  ALA  64           HB1      ALA  64  -1.181  20.020 -15.506
  468    HB2  ALA  64           HB2      ALA  64  -0.891  18.816 -14.239
  469    HB3  ALA  64           HB3      ALA  64  -1.779  18.359 -15.708
  470    H    ARG  65           H        ARG  65  -2.450  22.048 -14.754
  471    HA   ARG  65           HA       ARG  65  -1.387  22.791 -12.203
  472    HB2  ARG  65           HB2      ARG  65  -2.524  24.410 -14.515
  473    HB3  ARG  65           HB3      ARG  65  -1.775  25.150 -13.095
  474    HG2  ARG  65           HG2      ARG  65   0.366  24.172 -13.552
  475    HG3  ARG  65           HG3      ARG  65  -0.292  23.075 -14.764
  476    HD2  ARG  65           HD2      ARG  65  -0.942  25.068 -16.158
  477    HD3  ARG  65           HD3      ARG  65  -0.084  26.105 -15.017
  478    HE   ARG  65           HE       ARG  65   1.017  24.278 -17.029
  479   HH11  ARG  65          HH11      ARG  65   1.832  26.161 -14.126
  480   HH12  ARG  65          HH12      ARG  65   3.523  26.186 -14.460
  481   HH21  ARG  65          HH21      ARG  65   3.202  24.315 -17.489
  482   HH22  ARG  65          HH22      ARG  65   4.335  25.105 -16.426
  483    H    ASP  66           H        ASP  66  -4.717  23.096 -13.577
  484    HA   ASP  66           HA       ASP  66  -5.823  24.460 -11.334
  485    HB2  ASP  66           HB2      ASP  66  -7.001  24.281 -13.464
  486    HB3  ASP  66           HB3      ASP  66  -7.105  22.524 -13.301
  487    H    THR  67           H        THR  67  -5.482  20.933 -12.019
  488    HA   THR  67           HA       THR  67  -6.804  20.136  -9.604
  489    HB   THR  67           HB       THR  67  -4.835  18.585 -11.325
  490    HG1  THR  67           HG1      THR  67  -6.428  19.248 -12.631
  491   HG21  THR  67          HG21      THR  67  -6.108  16.599 -10.530
  492   HG22  THR  67          HG22      THR  67  -5.334  17.444  -9.184
  493   HG23  THR  67          HG23      THR  67  -7.074  17.647  -9.465
  494    H    LEU  68           H        LEU  68  -3.340  20.776 -10.382
  495    HA   LEU  68           HA       LEU  68  -2.279  19.887  -7.883
  496    HB2  LEU  68           HB2      LEU  68  -1.369  21.907  -9.962
  497    HB3  LEU  68           HB3      LEU  68  -0.453  21.667  -8.485
  498    HG   LEU  68           HG       LEU  68  -1.120  19.335 -10.310
  499   HD11  LEU  68          HD11      LEU  68   0.096  20.993 -11.654
  500   HD12  LEU  68          HD12      LEU  68   1.361  21.099 -10.410
  501   HD13  LEU  68          HD13      LEU  68   1.106  19.586 -11.316
  502   HD21  LEU  68          HD21      LEU  68  -0.365  18.784  -8.005
  503   HD22  LEU  68          HD22      LEU  68   0.810  18.283  -9.227
  504   HD23  LEU  68          HD23      LEU  68   1.100  19.746  -8.262
  505    H    ASP  69           H        ASP  69  -3.627  23.067  -8.917
  506    HA   ASP  69           HA       ASP  69  -3.129  24.369  -6.396
  507    HB2  ASP  69           HB2      ASP  69  -3.607  25.649  -8.416
  508    HB3  ASP  69           HB3      ASP  69  -5.203  24.910  -8.554
  509    H    ALA  70           H        ALA  70  -5.982  22.560  -7.677
  510    HA   ALA  70           HA       ALA  70  -7.636  22.915  -5.423
  511    HB1  ALA  70           HB1      ALA  70  -8.826  20.918  -6.192
  512    HB2  ALA  70           HB2      ALA  70  -8.405  21.950  -7.573
  513    HB3  ALA  70           HB3      ALA  70  -7.472  20.471  -7.243
  514    H    LEU  71           H        LEU  71  -5.139  20.419  -6.055
  515    HA   LEU  71           HA       LEU  71  -5.491  18.997  -3.618
  516    HB2  LEU  71           HB2      LEU  71  -3.581  19.017  -5.895
  517    HB3  LEU  71           HB3      LEU  71  -2.811  18.597  -4.398
  518    HG   LEU  71           HG       LEU  71  -3.542  16.633  -5.627
  519   HD11  LEU  71          HD11      LEU  71  -3.381  16.539  -3.159
  520   HD12  LEU  71          HD12      LEU  71  -5.110  16.918  -3.027
  521   HD13  LEU  71          HD13      LEU  71  -4.585  15.415  -3.805
  522   HD21  LEU  71          HD21      LEU  71  -5.567  17.569  -6.705
  523   HD22  LEU  71          HD22      LEU  71  -5.871  16.018  -5.909
  524   HD23  LEU  71          HD23      LEU  71  -6.417  17.527  -5.150
  525    H    GLN  72           H        GLN  72  -4.347  22.153  -3.883
  526    HA   GLN  72           HA       GLN  72  -2.768  21.889  -1.352
  527    HB2  GLN  72           HB2      GLN  72  -2.373  23.719  -3.743
  528    HB3  GLN  72           HB3      GLN  72  -1.559  23.936  -2.188
  529    HG2  GLN  72           HG2      GLN  72  -0.462  21.772  -2.365
  530    HG3  GLN  72           HG3      GLN  72  -1.353  21.379  -3.836
  531   HE21  GLN  72          HE22      GLN  72  -0.903  22.540  -5.794
  532   HE22  GLN  72          HE21      GLN  72   0.632  23.375  -6.024
  533    H    ASN  73           H        ASN  73  -5.430  23.517  -2.983
  534    HA   ASN  73           HA       ASN  73  -5.500  25.868  -1.600
  535    HB2  ASN  73           HB2      ASN  73  -7.557  26.242  -2.466
  536    HB3  ASN  73           HB3      ASN  73  -7.065  24.926  -3.515
  537   HD21  ASN  73          HD22      ASN  73  -7.873  22.615  -2.752
  538   HD22  ASN  73          HD21      ASN  73  -9.450  22.599  -2.006
  539    H    MET  74           H        MET  74  -6.609  22.746  -0.272
  540    HA   MET  74           HA       MET  74  -7.881  23.941   2.029
  541    HB2  MET  74           HB2      MET  74  -8.023  21.702   2.908
  542    HB3  MET  74           HB3      MET  74  -8.548  21.730   1.234
  543    HG2  MET  74           HG2      MET  74  -5.825  20.767   2.210
  544    HG3  MET  74           HG3      MET  74  -7.193  19.732   1.879
  545    HE1  MET  74           HE1      MET  74  -7.915  18.825  -0.334
  546    HE2  MET  74           HE2      MET  74  -8.487  20.441  -0.807
  547    HE3  MET  74           HE3      MET  74  -7.472  19.496  -1.916
  548    H    PHE  75           H        PHE  75  -4.577  22.910   1.280
  549    HA   PHE  75           HA       PHE  75  -3.694  23.056   4.070
  550    HB2  PHE  75           HB2      PHE  75  -2.157  22.727   1.461
  551    HB3  PHE  75           HB3      PHE  75  -1.447  22.680   3.068
  552    HD1  PHE  75           HD1      PHE  75  -2.352  20.923   4.762
  553    HD2  PHE  75           HD2      PHE  75  -3.020  20.694   0.505
  554    HE1  PHE  75           HE1      PHE  75  -2.862  18.503   4.965
  555    HE2  PHE  75           HE2      PHE  75  -3.525  18.284   0.712
  556    HZ   PHE  75           HZ       PHE  75  -3.451  17.176   2.942
  557    H    ASP  76           H        ASP  76  -3.781  25.175   1.219
  558    HA   ASP  76           HA       ASP  76  -1.993  27.171   2.035
  559    HB2  ASP  76           HB2      ASP  76  -3.035  27.016  -0.189
  560    HB3  ASP  76           HB3      ASP  76  -4.602  27.444   0.502
  561    H    VAL  77           H        VAL  77  -5.100  26.406   3.443
  562    HA   VAL  77           HA       VAL  77  -5.639  28.930   4.669
  563    HB   VAL  77           HB       VAL  77  -6.414  26.125   5.579
  564   HG11  VAL  77          HG11      VAL  77  -8.373  27.253   6.623
  565   HG12  VAL  77          HG12      VAL  77  -6.853  27.782   7.342
  566   HG13  VAL  77          HG13      VAL  77  -7.689  28.834   6.179
  567   HG21  VAL  77          HG21      VAL  77  -7.180  26.482   3.259
  568   HG22  VAL  77          HG22      VAL  77  -8.550  26.543   4.360
  569   HG23  VAL  77          HG23      VAL  77  -7.875  28.053   3.711
  570    H    GLU  78           H        GLU  78  -3.327  26.367   5.428
  571    HA   GLU  78           HA       GLU  78  -3.087  26.968   8.219
  572    HB2  GLU  78           HB2      GLU  78  -1.167  25.526   6.355
  573    HB3  GLU  78           HB3      GLU  78  -0.996  25.626   8.100
  574    HG2  GLU  78           HG2      GLU  78  -3.341  24.344   6.623
  575    HG3  GLU  78           HG3      GLU  78  -1.988  23.487   7.341
  576    HA   PRO  79           HA       PRO  79   0.619  29.747   7.244
  577    HB2  PRO  79           HB2      PRO  79   1.080  30.720   4.704
  578    HB3  PRO  79           HB3      PRO  79   1.843  29.244   5.371
  579    HG2  PRO  79           HG2      PRO  79  -0.613  29.442   3.611
  580    HG3  PRO  79           HG3      PRO  79   0.794  28.347   3.427
  581    HD2  PRO  79           HD2      PRO  79  -1.482  27.493   4.597
  582    HD3  PRO  79           HD3      PRO  79   0.105  27.001   5.242
  583    H    ASP  80           H        ASP  80  -2.450  30.113   5.509
  584    HA   ASP  80           HA       ASP  80  -2.515  32.995   5.557
  585    HB2  ASP  80           HB2      ASP  80  -3.973  31.736   4.075
  586    HB3  ASP  80           HB3      ASP  80  -4.764  30.956   5.445
  587    H    VAL  81           H        VAL  81  -3.993  30.511   7.778
  588    HA   VAL  81           HA       VAL  81  -4.752  32.560   9.655
  589    HB   VAL  81           HB       VAL  81  -5.868  30.335   9.391
  590   HG11  VAL  81          HG11      VAL  81  -3.897  28.839   9.419
  591   HG12  VAL  81          HG12      VAL  81  -3.597  29.258  11.117
  592   HG13  VAL  81          HG13      VAL  81  -5.082  28.405  10.650
  593   HG21  VAL  81          HG21      VAL  81  -6.469  30.146  11.746
  594   HG22  VAL  81          HG22      VAL  81  -5.036  31.081  12.219
  595   HG23  VAL  81          HG23      VAL  81  -6.331  31.845  11.274
  596    H    GLY  82           H        GLY  82  -1.804  30.626   9.169
  597    HA2  GLY  82           HA2      GLY  82  -0.420  31.217  11.547
  598    HA3  GLY  82           HA3      GLY  82   0.309  30.993   9.943
  599    H    ALA  83           H        ALA  83  -0.514  33.112   8.448
  600    HA   ALA  83           HA       ALA  83   1.025  35.292   9.334
  601    HB1  ALA  83           HB1      ALA  83  -1.258  35.250   7.309
  602    HB2  ALA  83           HB2      ALA  83  -0.034  36.521   7.469
  603    HB3  ALA  83           HB3      ALA  83   0.451  34.889   6.973
  604    H    LEU  84           H        LEU  84  -2.529  34.785   9.521
  605    HA   LEU  84           HA       LEU  84  -3.164  37.296  10.667
  606    HB2  LEU  84           HB2      LEU  84  -4.747  35.684   9.650
  607    HB3  LEU  84           HB3      LEU  84  -4.539  34.585  10.991
  608    HG   LEU  84           HG       LEU  84  -6.646  35.946  10.906
  609   HD11  LEU  84          HD11      LEU  84  -6.900  36.200  13.254
  610   HD12  LEU  84          HD12      LEU  84  -5.869  34.792  12.973
  611   HD13  LEU  84          HD13      LEU  84  -5.161  36.326  13.525
  612   HD21  LEU  84          HD21      LEU  84  -6.695  38.230  11.698
  613   HD22  LEU  84          HD22      LEU  84  -4.931  38.261  11.883
  614   HD23  LEU  84          HD23      LEU  84  -5.659  38.125  10.267
  615    H    LEU  85           H        LEU  85  -2.291  34.175  12.228
  616    HA   LEU  85           HA       LEU  85  -2.588  35.044  14.915
  617    HB2  LEU  85           HB2      LEU  85  -2.474  32.709  14.187
  618    HB3  LEU  85           HB3      LEU  85  -0.808  32.893  13.687
  619    HG   LEU  85           HG       LEU  85  -1.239  31.660  15.816
  620   HD11  LEU  85          HD11      LEU  85   0.625  34.013  16.262
  621   HD12  LEU  85          HD12      LEU  85   0.689  32.403  16.983
  622   HD13  LEU  85          HD13      LEU  85   0.994  32.596  15.253
  623   HD21  LEU  85          HD21      LEU  85  -1.678  32.818  17.887
  624   HD22  LEU  85          HD22      LEU  85  -1.770  34.384  17.061
  625   HD23  LEU  85          HD23      LEU  85  -2.996  33.134  16.748
  626    H    TYR  86           H        TYR  86   0.262  35.106  12.689
  627    HA   TYR  86           HA       TYR  86   2.076  36.171  14.592
  628    HB2  TYR  86           HB2      TYR  86   2.091  36.598  11.587
  629    HB3  TYR  86           HB3      TYR  86   3.451  36.810  12.675
  630    HD1  TYR  86           HD1      TYR  86   2.927  34.150  14.334
  631    HD2  TYR  86           HD2      TYR  86   3.207  35.065  10.122
  632    HE1  TYR  86           HE1      TYR  86   3.589  31.822  13.875
  633    HE2  TYR  86           HE2      TYR  86   3.870  32.735   9.655
  634    HH   TYR  86           HH       TYR  86   4.295  30.626  10.557
  635    H    GLY  87           H        GLY  87  -0.298  37.871  12.459
  636    HA2  GLY  87           HA2      GLY  87  -0.841  39.953  14.113
  637    HA3  GLY  87           HA3      GLY  87   0.654  40.493  13.338
  638    H    GLU  88           H        GLU  88  -0.376  42.188  12.289
  639    HA   GLU  88           HA       GLU  88  -2.569  41.859  10.440
  640    HB2  GLU  88           HB2      GLU  88  -0.536  44.108  10.791
  641    HB3  GLU  88           HB3      GLU  88  -2.029  44.220   9.860
  642    HG2  GLU  88           HG2      GLU  88  -1.825  43.822  12.873
  643    HG3  GLU  88           HG3      GLU  88  -2.253  45.304  12.036
  644    H    GLU  89           H        GLU  89  -0.039  40.160  10.049
  645    HA   GLU  89           HA       GLU  89   1.193  41.000   7.568
  646    HB2  GLU  89           HB2      GLU  89   2.239  39.488   9.258
  647    HB3  GLU  89           HB3      GLU  89   1.037  38.249   8.878
  648    HG2  GLU  89           HG2      GLU  89   1.858  38.109   6.569
  649    HG3  GLU  89           HG3      GLU  89   2.949  39.470   6.838
  650    H    LYS  90           H        LYS  90  -1.673  39.104   8.513
  651    HA   LYS  90           HA       LYS  90  -2.327  38.287   5.776
  652    HB2  LYS  90           HB2      LYS  90  -3.172  36.953   7.650
  653    HB3  LYS  90           HB3      LYS  90  -4.024  38.364   8.313
  654    HG2  LYS  90           HG2      LYS  90  -5.467  38.481   6.339
  655    HG3  LYS  90           HG3      LYS  90  -4.532  37.209   5.532
  656    HD2  LYS  90           HD2      LYS  90  -5.255  35.571   7.204
  657    HD3  LYS  90           HD3      LYS  90  -6.150  36.834   8.090
  658    HE2  LYS  90           HE2      LYS  90  -7.643  37.199   6.212
  659    HE3  LYS  90           HE3      LYS  90  -6.671  36.148   5.171
  660    HZ1  LYS  90           HZ1      LYS  90  -8.149  35.192   7.549
  661    HZ2  LYS  90           HZ2      LYS  90  -8.645  35.030   6.001
  662    HZ3  LYS  90           HZ3      LYS  90  -7.278  34.272   6.486
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   3.265   2.815  -4.384
    2    H2   MET   1           H2       MET   1   4.492   2.439  -3.353
    3    H3   MET   1           H3       MET   1   2.937   2.152  -2.929
    4    HA   MET   1           HA       MET   1   3.709   4.086  -1.768
    5    HB2  MET   1           HB2      MET   1   4.225   5.159  -4.583
    6    HB3  MET   1           HB3      MET   1   4.136   6.167  -3.142
    7    HG2  MET   1           HG2      MET   1   6.165   3.967  -3.653
    8    HG3  MET   1           HG3      MET   1   6.451   5.696  -3.737
    9    HE1  MET   1           HE1      MET   1   6.493   6.858  -0.032
   10    HE2  MET   1           HE2      MET   1   6.780   7.292  -1.731
   11    HE3  MET   1           HE3      MET   1   5.125   6.980  -1.156
   12    H    CYS   2           H        CYS   2   1.971   5.213  -0.979
   13    HA   CYS   2           HA       CYS   2  -0.592   4.905  -2.294
   14    HB2  CYS   2           HB2      CYS   2   0.169   6.296   0.312
   15    HB3  CYS   2           HB3      CYS   2  -1.467   5.877  -0.211
   16    HG   CYS   2           HG       CYS   2  -0.700   4.214   1.657
   17    H    ILE   3           H        ILE   3   0.814   6.403  -4.046
   18    HA   ILE   3           HA       ILE   3   0.513   9.253  -3.781
   19    HB   ILE   3           HB       ILE   3   0.930   9.291  -6.204
   20   HG12  ILE   3          HG12      ILE   3   0.639   6.261  -6.044
   21   HG13  ILE   3          HG13      ILE   3  -0.307   7.396  -7.003
   22   HG21  ILE   3          HG21      ILE   3   2.813   7.326  -4.844
   23   HG22  ILE   3          HG22      ILE   3   3.193   8.501  -6.117
   24   HG23  ILE   3          HG23      ILE   3   2.772   9.070  -4.504
   25   HD11  ILE   3          HD11      ILE   3   1.849   7.927  -8.277
   26   HD12  ILE   3          HD12      ILE   3   2.575   6.541  -7.440
   27   HD13  ILE   3          HD13      ILE   3   1.178   6.298  -8.502
   28    H    GLY   4           H        GLY   4  -0.991  10.579  -5.055
   29    HA2  GLY   4           HA2      GLY   4  -3.485   9.624  -6.109
   30    HA3  GLY   4           HA3      GLY   4  -3.660  10.163  -4.426
   31    H    VAL   5           H        VAL   5  -1.860  11.235  -7.388
   32    HA   VAL   5           HA       VAL   5  -2.758  14.013  -7.054
   33    HB   VAL   5           HB       VAL   5  -0.926  13.598  -5.390
   34   HG11  VAL   5          HG11      VAL   5   0.926  13.174  -7.761
   35   HG12  VAL   5          HG12      VAL   5   1.376  13.246  -6.046
   36   HG13  VAL   5          HG13      VAL   5   0.393  11.905  -6.642
   37   HG21  VAL   5          HG21      VAL   5  -1.202  15.875  -6.193
   38   HG22  VAL   5          HG22      VAL   5   0.480  15.502  -5.817
   39   HG23  VAL   5          HG23      VAL   5  -0.034  15.565  -7.510
   40    HA   PRO   6           HA       PRO   6  -1.751  13.770 -11.495
   41    HB2  PRO   6           HB2      PRO   6  -1.145  16.390 -12.124
   42    HB3  PRO   6           HB3      PRO   6  -2.811  15.785 -11.906
   43    HG2  PRO   6           HG2      PRO   6  -1.047  17.153  -9.855
   44    HG3  PRO   6           HG3      PRO   6  -2.739  17.553 -10.287
   45    HD2  PRO   6           HD2      PRO   6  -2.226  16.042  -8.133
   46    HD3  PRO   6           HD3      PRO   6  -3.547  15.561  -9.223
   47    H    GLY   7           H        GLY   7   0.126  13.784 -12.865
   48    HA2  GLY   7           HA2      GLY   7   2.598  15.077 -12.076
   49    HA3  GLY   7           HA3      GLY   7   2.644  13.309 -11.954
   50    H    GLN   8           H        GLN   8   4.367  14.173 -13.748
   51    HA   GLN   8           HA       GLN   8   3.006  14.143 -16.414
   52    HB2  GLN   8           HB2      GLN   8   4.202  16.281 -15.723
   53    HB3  GLN   8           HB3      GLN   8   5.712  15.364 -15.797
   54    HG2  GLN   8           HG2      GLN   8   5.222  14.825 -18.207
   55    HG3  GLN   8           HG3      GLN   8   3.705  15.718 -18.072
   56   HE21  GLN   8          HE22      GLN   8   4.266  17.203 -19.731
   57   HE22  GLN   8          HE21      GLN   8   5.497  18.432 -19.488
   58    H    ILE   9           H        ILE   9   3.682  12.701 -17.915
   59    HA   ILE   9           HA       ILE   9   5.275  10.414 -17.086
   60    HB   ILE   9           HB       ILE   9   4.004  11.147 -19.764
   61   HG12  ILE   9          HG12      ILE   9   3.013   9.365 -17.490
   62   HG13  ILE   9          HG13      ILE   9   2.338  10.928 -17.949
   63   HG21  ILE   9          HG21      ILE   9   4.294   8.784 -20.348
   64   HG22  ILE   9          HG22      ILE   9   5.863   9.462 -19.957
   65   HG23  ILE   9          HG23      ILE   9   5.028   8.446 -18.766
   66   HD11  ILE   9          HD11      ILE   9   0.890   9.215 -18.757
   67   HD12  ILE   9          HD12      ILE   9   1.669   9.996 -20.141
   68   HD13  ILE   9          HD13      ILE   9   2.206   8.385 -19.594
   69    H    ARG  10           H        ARG  10   7.268  11.529 -16.574
   70    HA   ARG  10           HA       ARG  10   8.691  12.992 -18.657
   71    HB2  ARG  10           HB2      ARG  10   9.642  11.849 -15.996
   72    HB3  ARG  10           HB3      ARG  10  10.589  12.916 -17.024
   73    HG2  ARG  10           HG2      ARG  10   7.998  13.591 -15.577
   74    HG3  ARG  10           HG3      ARG  10   9.612  14.150 -15.166
   75    HD2  ARG  10           HD2      ARG  10   8.039  14.898 -17.668
   76    HD3  ARG  10           HD3      ARG  10   8.307  15.903 -16.238
   77    HE   ARG  10           HE       ARG  10  10.802  15.019 -17.369
   78   HH11  ARG  10          HH11      ARG  10   8.225  17.448 -17.801
   79   HH12  ARG  10          HH12      ARG  10   9.262  18.579 -18.599
   80   HH21  ARG  10          HH21      ARG  10  12.153  16.529 -18.444
   81   HH22  ARG  10          HH22      ARG  10  11.529  18.042 -18.973
   82    H    THR  11           H        THR  11   8.605   9.578 -17.640
   83    HA   THR  11           HA       THR  11  10.254   8.872 -19.959
   84    HB   THR  11           HB       THR  11  10.993   7.656 -17.295
   85    HG1  THR  11           HG1      THR  11  12.122  10.055 -18.279
   86   HG21  THR  11          HG21      THR  11  11.944   6.599 -19.270
   87   HG22  THR  11          HG22      THR  11  12.589   8.157 -19.835
   88   HG23  THR  11          HG23      THR  11  13.218   7.406 -18.352
   89    H    ILE  12           H        ILE  12   9.992   6.537 -20.448
   90    HA   ILE  12           HA       ILE  12   7.696   5.213 -19.119
   91    HB   ILE  12           HB       ILE  12   8.127   5.489 -22.119
   92   HG12  ILE  12          HG12      ILE  12   5.953   6.632 -20.307
   93   HG13  ILE  12          HG13      ILE  12   7.227   7.555 -21.104
   94   HG21  ILE  12          HG21      ILE  12   7.196   3.268 -21.558
   95   HG22  ILE  12          HG22      ILE  12   5.917   4.032 -20.583
   96   HG23  ILE  12          HG23      ILE  12   5.986   4.241 -22.346
   97   HD11  ILE  12          HD11      ILE  12   4.870   6.205 -22.425
   98   HD12  ILE  12          HD12      ILE  12   5.313   7.918 -22.387
   99   HD13  ILE  12          HD13      ILE  12   6.296   6.783 -23.330
  100    H    ASP  13           H        ASP  13   7.907   2.926 -19.105
  101    HA   ASP  13           HA       ASP  13  10.627   1.880 -19.796
  102    HB2  ASP  13           HB2      ASP  13  10.317   2.196 -17.388
  103    HB3  ASP  13           HB3      ASP  13   8.820   1.262 -17.434
  104    H    GLY  14           H        GLY  14   7.142   1.358 -19.977
  105    HA2  GLY  14           HA2      GLY  14   7.061  -0.293 -22.145
  106    HA3  GLY  14           HA3      GLY  14   7.316  -1.437 -20.812
  107    H    ASN  15           H        ASN  15   5.495  -2.154 -19.825
  108    HA   ASN  15           HA       ASN  15   2.883  -0.937 -20.162
  109    HB2  ASN  15           HB2      ASN  15   3.466  -3.420 -19.695
  110    HB3  ASN  15           HB3      ASN  15   3.657  -2.935 -18.009
  111   HD21  ASN  15          HD21      ASN  15   1.657  -2.624 -16.742
  112   HD22  ASN  15          HD22      ASN  15   0.109  -2.904 -17.469
  113    H    GLN  16           H        GLN  16   5.419   0.340 -18.580
  114    HA   GLN  16           HA       GLN  16   3.949   1.483 -16.296
  115    HB2  GLN  16           HB2      GLN  16   6.631   0.014 -16.255
  116    HB3  GLN  16           HB3      GLN  16   6.082   1.070 -14.955
  117    HG2  GLN  16           HG2      GLN  16   4.272  -0.381 -14.381
  118    HG3  GLN  16           HG3      GLN  16   4.467  -1.354 -15.845
  119   HE21  GLN  16          HE22      GLN  16   6.430  -0.274 -12.987
  120   HE22  GLN  16          HE21      GLN  16   7.187  -1.841 -12.749
  121    H    ALA  17           H        ALA  17   5.065   3.407 -15.518
  122    HA   ALA  17           HA       ALA  17   7.109   4.607 -17.264
  123    HB1  ALA  17           HB1      ALA  17   4.364   5.823 -16.680
  124    HB2  ALA  17           HB2      ALA  17   5.725   6.724 -17.366
  125    HB3  ALA  17           HB3      ALA  17   5.030   5.380 -18.276
  126    H    LYS  18           H        LYS  18   7.772   6.759 -16.307
  127    HA   LYS  18           HA       LYS  18   8.051   6.439 -13.345
  128    HB2  LYS  18           HB2      LYS  18  10.088   7.421 -15.371
  129    HB3  LYS  18           HB3      LYS  18  10.304   7.390 -13.618
  130    HG2  LYS  18           HG2      LYS  18  10.020   4.915 -13.630
  131    HG3  LYS  18           HG3      LYS  18   9.893   4.950 -15.400
  132    HD2  LYS  18           HD2      LYS  18  12.163   5.946 -15.549
  133    HD3  LYS  18           HD3      LYS  18  12.295   5.899 -13.776
  134    HE2  LYS  18           HE2      LYS  18  11.997   3.424 -13.833
  135    HE3  LYS  18           HE3      LYS  18  11.894   3.478 -15.596
  136    HZ1  LYS  18           HZ1      LYS  18  14.174   4.323 -15.634
  137    HZ2  LYS  18           HZ2      LYS  18  14.264   4.272 -14.002
  138    HZ3  LYS  18           HZ3      LYS  18  14.114   2.895 -14.855
  139    H    VAL  19           H        VAL  19   6.110   7.701 -13.202
  140    HA   VAL  19           HA       VAL  19   5.850  10.238 -14.578
  141    HB   VAL  19           HB       VAL  19   4.208   8.949 -12.348
  142   HG11  VAL  19          HG11      VAL  19   3.824  11.406 -12.518
  143   HG12  VAL  19          HG12      VAL  19   3.439  11.210 -14.245
  144   HG13  VAL  19          HG13      VAL  19   2.408  10.480 -13.001
  145   HG21  VAL  19          HG21      VAL  19   2.642   8.329 -14.196
  146   HG22  VAL  19          HG22      VAL  19   3.812   8.953 -15.375
  147   HG23  VAL  19          HG23      VAL  19   4.209   7.543 -14.377
  148    H    ASP  20           H        ASP  20   6.570  12.208 -13.814
  149    HA   ASP  20           HA       ASP  20   7.795  12.403 -11.122
  150    HB2  ASP  20           HB2      ASP  20   8.956  13.632 -12.824
  151    HB3  ASP  20           HB3      ASP  20   7.453  14.372 -13.400
  152    H    VAL  21           H        VAL  21   6.412  12.581  -9.457
  153    HA   VAL  21           HA       VAL  21   3.729  13.733  -9.828
  154    HB   VAL  21           HB       VAL  21   3.391  13.032  -7.472
  155   HG11  VAL  21          HG11      VAL  21   2.792  11.603  -9.390
  156   HG12  VAL  21          HG12      VAL  21   4.388  10.824  -9.322
  157   HG13  VAL  21          HG13      VAL  21   3.250  10.651  -7.970
  158   HG21  VAL  21          HG21      VAL  21   5.779  13.079  -6.678
  159   HG22  VAL  21          HG22      VAL  21   4.942  11.558  -6.338
  160   HG23  VAL  21          HG23      VAL  21   6.097  11.648  -7.677
  161    H    CYS  22           H        CYS  22   5.586  15.586 -10.435
  162    HA   CYS  22           HA       CYS  22   6.565  17.553 -10.004
  163    HB2  CYS  22           HB2      CYS  22   4.114  17.970  -8.251
  164    HB3  CYS  22           HB3      CYS  22   5.178  19.242  -8.872
  165    HG   CYS  22           HG       CYS  22   2.974  19.239 -10.250
  166    H    GLY  23           H        GLY  23   7.990  15.751  -8.692
  167    HA2  GLY  23           HA2      GLY  23   9.297  17.293  -6.745
  168    HA3  GLY  23           HA3      GLY  23   8.291  16.130  -5.861
  169    H    ILE  24           H        ILE  24   8.473  13.902  -7.662
  170    HA   ILE  24           HA       ILE  24  11.220  13.334  -8.260
  171    HB   ILE  24           HB       ILE  24  11.111  12.962  -5.766
  172   HG12  ILE  24          HG12      ILE  24  11.653  10.433  -7.364
  173   HG13  ILE  24          HG13      ILE  24  12.738  11.822  -7.250
  174   HG21  ILE  24          HG21      ILE  24   9.882  11.130  -4.802
  175   HG22  ILE  24          HG22      ILE  24   8.735  12.130  -5.691
  176   HG23  ILE  24          HG23      ILE  24   9.304  10.604  -6.400
  177   HD11  ILE  24          HD11      ILE  24  13.480  10.121  -5.712
  178   HD12  ILE  24          HD12      ILE  24  12.851  11.486  -4.768
  179   HD13  ILE  24          HD13      ILE  24  11.882  10.003  -4.962
  180    H    GLN  25           H        GLN  25  11.328  11.314  -9.500
  181    HA   GLN  25           HA       GLN  25   8.845  10.667 -10.905
  182    HB2  GLN  25           HB2      GLN  25  11.671   9.567 -11.121
  183    HB3  GLN  25           HB3      GLN  25  10.288   8.987 -12.060
  184    HG2  GLN  25           HG2      GLN  25   9.924  11.294 -12.945
  185    HG3  GLN  25           HG3      GLN  25  11.369  11.838 -12.093
  186   HE21  GLN  25          HE22      GLN  25  10.142   9.857 -14.777
  187   HE22  GLN  25          HE21      GLN  25  11.658   9.770 -15.654
  188    H    ARG  26           H        ARG  26   7.582   8.920 -10.586
  189    HA   ARG  26           HA       ARG  26   8.376   6.860  -8.563
  190    HB2  ARG  26           HB2      ARG  26   5.636   8.132  -9.058
  191    HB3  ARG  26           HB3      ARG  26   5.921   6.754  -8.005
  192    HG2  ARG  26           HG2      ARG  26   7.044   9.556  -7.575
  193    HG3  ARG  26           HG3      ARG  26   5.638   8.855  -6.765
  194    HD2  ARG  26           HD2      ARG  26   7.177   7.024  -5.890
  195    HD3  ARG  26           HD3      ARG  26   8.537   7.978  -6.526
  196    HE   ARG  26           HE       ARG  26   6.784   9.551  -4.855
  197   HH11  ARG  26          HH11      ARG  26   9.422   7.179  -4.687
  198   HH12  ARG  26          HH12      ARG  26   9.974   7.686  -3.136
  199   HH21  ARG  26          HH21      ARG  26   7.531  10.246  -2.789
  200   HH22  ARG  26          HH22      ARG  26   8.874   9.475  -2.040
  201    H    ASP  27           H        ASP  27   7.847   4.756  -9.143
  202    HA   ASP  27           HA       ASP  27   7.279   4.102 -11.913
  203    HB2  ASP  27           HB2      ASP  27   8.539   2.511 -10.652
  204    HB3  ASP  27           HB3      ASP  27   7.383   2.536  -9.315
  205    H    VAL  28           H        VAL  28   5.314   3.898 -12.855
  206    HA   VAL  28           HA       VAL  28   2.882   3.488 -11.222
  207    HB   VAL  28           HB       VAL  28   3.237   5.644 -13.357
  208   HG11  VAL  28          HG11      VAL  28   0.980   4.582 -13.397
  209   HG12  VAL  28          HG12      VAL  28   0.790   4.981 -11.671
  210   HG13  VAL  28          HG13      VAL  28   0.930   6.259 -12.899
  211   HG21  VAL  28          HG21      VAL  28   4.199   6.441 -11.258
  212   HG22  VAL  28          HG22      VAL  28   2.652   7.236 -11.495
  213   HG23  VAL  28          HG23      VAL  28   2.781   5.888 -10.348
  214    H    ASP  29           H        ASP  29   1.664   1.901 -12.155
  215    HA   ASP  29           HA       ASP  29   2.491   0.762 -14.748
  216    HB2  ASP  29           HB2      ASP  29   2.020  -0.706 -12.818
  217    HB3  ASP  29           HB3      ASP  29   0.366  -0.090 -12.758
  218    H    LEU  30           H        LEU  30   1.212   0.671 -16.555
  219    HA   LEU  30           HA       LEU  30  -0.792   2.866 -16.720
  220    HB2  LEU  30           HB2      LEU  30   0.973   1.649 -18.878
  221    HB3  LEU  30           HB3      LEU  30  -0.134   2.994 -19.088
  222    HG   LEU  30           HG       LEU  30   2.414   3.010 -17.431
  223   HD11  LEU  30          HD11      LEU  30   2.764   3.141 -19.844
  224   HD12  LEU  30          HD12      LEU  30   1.561   4.443 -19.986
  225   HD13  LEU  30          HD13      LEU  30   3.081   4.720 -19.120
  226   HD21  LEU  30          HD21      LEU  30   0.813   4.413 -16.255
  227   HD22  LEU  30          HD22      LEU  30   1.947   5.451 -17.115
  228   HD23  LEU  30          HD23      LEU  30   0.316   5.200 -17.776
  229    H    THR  31           H        THR  31  -1.143  -0.403 -16.380
  230    HA   THR  31           HA       THR  31  -2.404  -1.306 -18.682
  231    HB   THR  31           HB       THR  31  -3.230  -1.968 -15.824
  232    HG1  THR  31           HG1      THR  31  -1.103  -2.236 -15.914
  233   HG21  THR  31          HG21      THR  31  -4.736  -3.030 -17.450
  234   HG22  THR  31          HG22      THR  31  -3.349  -3.617 -18.395
  235   HG23  THR  31          HG23      THR  31  -3.658  -4.244 -16.758
  236    H    LEU  32           H        LEU  32  -3.806   0.838 -16.211
  237    HA   LEU  32           HA       LEU  32  -6.532   0.510 -17.115
  238    HB2  LEU  32           HB2      LEU  32  -5.271   2.673 -15.405
  239    HB3  LEU  32           HB3      LEU  32  -6.999   2.399 -15.588
  240    HG   LEU  32           HG       LEU  32  -4.999   0.531 -14.249
  241   HD11  LEU  32          HD11      LEU  32  -7.344   2.110 -13.113
  242   HD12  LEU  32          HD12      LEU  32  -6.244   1.044 -12.206
  243   HD13  LEU  32          HD13      LEU  32  -5.631   2.533 -12.940
  244   HD21  LEU  32          HD21      LEU  32  -6.689  -0.864 -15.336
  245   HD22  LEU  32          HD22      LEU  32  -6.987  -0.831 -13.600
  246   HD23  LEU  32          HD23      LEU  32  -7.996   0.152 -14.684
  247    H    VAL  33           H        VAL  33  -3.939   2.289 -18.520
  248    HA   VAL  33           HA       VAL  33  -5.880   4.001 -20.008
  249    HB   VAL  33           HB       VAL  33  -4.290   5.832 -19.966
  250   HG11  VAL  33          HG11      VAL  33  -6.025   5.703 -18.193
  251   HG12  VAL  33          HG12      VAL  33  -4.863   4.894 -17.120
  252   HG13  VAL  33          HG13      VAL  33  -4.566   6.554 -17.657
  253   HG21  VAL  33          HG21      VAL  33  -2.330   5.867 -18.483
  254   HG22  VAL  33          HG22      VAL  33  -2.592   4.165 -18.056
  255   HG23  VAL  33          HG23      VAL  33  -2.152   4.617 -19.714
  256    H    GLY  34           H        GLY  34  -3.193   1.822 -20.156
  257    HA2  GLY  34           HA2      GLY  34  -2.327   0.727 -21.970
  258    HA3  GLY  34           HA3      GLY  34  -3.213   1.775 -23.083
  259    H    SER  35           H        SER  35  -0.192   0.948 -22.515
  260    HA   SER  35           HA       SER  35   1.196   3.457 -22.334
  261    HB2  SER  35           HB2      SER  35   2.068   0.798 -23.550
  262    HB3  SER  35           HB3      SER  35   3.117   2.147 -23.078
  263    HG   SER  35           HG       SER  35   3.201   0.960 -21.342
  264    H    CYS  36           H        CYS  36   2.301   4.412 -24.065
  265    HA   CYS  36           HA       CYS  36   2.413   5.622 -25.927
  266    HB2  CYS  36           HB2      CYS  36   1.159   3.283 -27.388
  267    HB3  CYS  36           HB3      CYS  36   1.882   4.714 -28.132
  268    HG   CYS  36           HG       CYS  36   3.309   2.561 -26.055
  269    H    ASP  37           H        ASP  37   1.321   7.110 -27.104
  270    HA   ASP  37           HA       ASP  37  -1.379   7.822 -26.223
  271    HB2  ASP  37           HB2      ASP  37   0.402   9.517 -26.505
  272    HB3  ASP  37           HB3      ASP  37   0.617   9.004 -28.179
  273    H    GLU  38           H        GLU  38  -3.118   8.150 -27.776
  274    HA   GLU  38           HA       GLU  38  -3.634   5.939 -29.397
  275    HB2  GLU  38           HB2      GLU  38  -5.268   7.457 -28.285
  276    HB3  GLU  38           HB3      GLU  38  -4.913   8.705 -29.486
  277    HG2  GLU  38           HG2      GLU  38  -5.787   7.257 -31.279
  278    HG3  GLU  38           HG3      GLU  38  -6.012   5.933 -30.132
  279    H    ASN  39           H        ASN  39  -2.030   8.975 -30.273
  280    HA   ASN  39           HA       ASN  39  -2.282   8.823 -33.112
  281    HB2  ASN  39           HB2      ASN  39  -1.544  10.835 -31.910
  282    HB3  ASN  39           HB3      ASN  39  -0.127   9.971 -31.317
  283   HD21  ASN  39          HD22      ASN  39  -1.675  11.137 -34.330
  284   HD22  ASN  39          HD21      ASN  39  -0.180  11.305 -35.217
  285    H    GLY  40           H        GLY  40  -0.379   6.854 -30.909
  286    HA2  GLY  40           HA2      GLY  40   0.872   4.965 -31.492
  287    HA3  GLY  40           HA3      GLY  40   0.979   5.503 -33.175
  288    H    GLN  41           H        GLN  41   1.780   7.029 -30.000
  289    HA   GLN  41           HA       GLN  41   4.617   7.298 -30.701
  290    HB2  GLN  41           HB2      GLN  41   4.613   9.719 -30.284
  291    HB3  GLN  41           HB3      GLN  41   3.539   9.336 -31.630
  292    HG2  GLN  41           HG2      GLN  41   1.599   9.450 -30.066
  293    HG3  GLN  41           HG3      GLN  41   2.682   9.946 -28.762
  294   HE21  GLN  41          HE22      GLN  41   0.374  11.441 -29.666
  295   HE22  GLN  41          HE21      GLN  41   0.996  12.959 -30.288
  296    HA   PRO  42           HA       PRO  42   4.750   6.552 -26.288
  297    HB2  PRO  42           HB2      PRO  42   6.958   7.984 -25.428
  298    HB3  PRO  42           HB3      PRO  42   7.037   6.431 -26.308
  299    HG2  PRO  42           HG2      PRO  42   7.309   9.231 -27.437
  300    HG3  PRO  42           HG3      PRO  42   8.327   7.794 -27.767
  301    HD2  PRO  42           HD2      PRO  42   6.343   8.578 -29.449
  302    HD3  PRO  42           HD3      PRO  42   6.678   6.845 -29.166
  303    H    ARG  43           H        ARG  43   3.879   7.482 -24.415
  304    HA   ARG  43           HA       ARG  43   2.464   9.959 -24.699
  305    HB2  ARG  43           HB2      ARG  43   2.863   8.188 -22.240
  306    HB3  ARG  43           HB3      ARG  43   1.734   9.532 -22.367
  307    HG2  ARG  43           HG2      ARG  43   0.564   8.342 -24.234
  308    HG3  ARG  43           HG3      ARG  43   1.567   6.918 -23.870
  309    HD2  ARG  43           HD2      ARG  43   0.751   6.895 -21.549
  310    HD3  ARG  43           HD3      ARG  43  -0.174   8.372 -21.819
  311    HE   ARG  43           HE       ARG  43  -0.916   5.654 -22.522
  312   HH11  ARG  43          HH11      ARG  43  -1.477   9.076 -23.447
  313   HH12  ARG  43          HH12      ARG  43  -3.080   8.760 -24.013
  314   HH21  ARG  43          HH21      ARG  43  -3.030   5.301 -23.141
  315   HH22  ARG  43          HH22      ARG  43  -3.985   6.553 -23.856
  316    H    VAL  44           H        VAL  44   5.636  10.084 -24.478
  317    HA   VAL  44           HA       VAL  44   6.213  11.109 -21.891
  318    HB   VAL  44           HB       VAL  44   8.284  11.999 -23.011
  319   HG11  VAL  44          HG11      VAL  44   8.191   9.826 -21.877
  320   HG12  VAL  44          HG12      VAL  44   7.653   9.041 -23.377
  321   HG13  VAL  44          HG13      VAL  44   9.270   9.765 -23.277
  322   HG21  VAL  44          HG21      VAL  44   7.462  12.273 -25.333
  323   HG22  VAL  44          HG22      VAL  44   8.875  11.216 -25.251
  324   HG23  VAL  44          HG23      VAL  44   7.264  10.516 -25.474
  325    H    GLY  45           H        GLY  45   6.024  13.057 -21.010
  326    HA2  GLY  45           HA2      GLY  45   5.813  15.373 -20.898
  327    HA3  GLY  45           HA3      GLY  45   5.467  15.458 -22.628
  328    H    GLN  46           H        GLN  46   3.352  13.090 -21.973
  329    HA   GLN  46           HA       GLN  46   1.085  14.875 -21.583
  330    HB2  GLN  46           HB2      GLN  46   1.239  11.828 -21.466
  331    HB3  GLN  46           HB3      GLN  46  -0.239  12.789 -21.440
  332    HG2  GLN  46           HG2      GLN  46   0.390  13.760 -23.657
  333    HG3  GLN  46           HG3      GLN  46   1.758  12.655 -23.742
  334   HE21  GLN  46          HE22      GLN  46  -0.211  12.748 -25.713
  335   HE22  GLN  46          HE21      GLN  46  -1.174  11.285 -25.694
  336    H    TRP  47           H        TRP  47  -0.387  14.711 -19.727
  337    HA   TRP  47           HA       TRP  47   1.059  14.179 -17.180
  338    HB2  TRP  47           HB2      TRP  47  -1.179  16.097 -17.874
  339    HB3  TRP  47           HB3      TRP  47  -0.709  15.690 -16.226
  340    HD1  TRP  47           HD1      TRP  47   0.862  17.236 -19.387
  341    HE1  TRP  47           HE1      TRP  47   2.570  19.012 -18.690
  342    HE3  TRP  47           HE3      TRP  47   0.755  16.472 -14.340
  343    HZ2  TRP  47           HZ2      TRP  47   3.893  19.845 -16.231
  344    HZ3  TRP  47           HZ3      TRP  47   2.263  17.732 -12.846
  345    HH2  TRP  47           HH2      TRP  47   3.833  19.427 -13.770
  346    H    VAL  48           H        VAL  48  -0.250  13.281 -15.450
  347    HA   VAL  48           HA       VAL  48  -2.615  11.739 -16.229
  348    HB   VAL  48           HB       VAL  48  -0.805  10.464 -17.213
  349   HG11  VAL  48          HG11      VAL  48   1.048   9.480 -15.921
  350   HG12  VAL  48          HG12      VAL  48   1.145  11.245 -15.969
  351   HG13  VAL  48          HG13      VAL  48   0.571  10.439 -14.509
  352   HG21  VAL  48          HG21      VAL  48  -1.652   9.037 -14.686
  353   HG22  VAL  48          HG22      VAL  48  -2.607   9.161 -16.180
  354   HG23  VAL  48          HG23      VAL  48  -1.058   8.311 -16.190
  355    H    LEU  49           H        LEU  49  -3.833  11.237 -14.500
  356    HA   LEU  49           HA       LEU  49  -3.111  12.205 -11.790
  357    HB2  LEU  49           HB2      LEU  49  -5.485  10.653 -12.930
  358    HB3  LEU  49           HB3      LEU  49  -5.338  11.136 -11.240
  359    HG   LEU  49           HG       LEU  49  -5.510  13.054 -13.595
  360   HD11  LEU  49          HD11      LEU  49  -7.562  11.725 -13.306
  361   HD12  LEU  49          HD12      LEU  49  -7.644  12.199 -11.596
  362   HD13  LEU  49          HD13      LEU  49  -7.830  13.423 -12.875
  363   HD21  LEU  49          HD21      LEU  49  -4.375  14.067 -11.651
  364   HD22  LEU  49          HD22      LEU  49  -5.982  14.763 -11.877
  365   HD23  LEU  49          HD23      LEU  49  -5.709  13.566 -10.591
  366    H    VAL  50           H        VAL  50  -2.113  10.743 -10.317
  367    HA   VAL  50           HA       VAL  50  -2.165   7.867 -11.110
  368    HB   VAL  50           HB       VAL  50   0.146   7.667 -10.380
  369   HG11  VAL  50          HG11      VAL  50  -0.484   8.048 -12.775
  370   HG12  VAL  50          HG12      VAL  50  -0.206   9.781 -12.542
  371   HG13  VAL  50          HG13      VAL  50   1.138   8.642 -12.384
  372   HG21  VAL  50          HG21      VAL  50   0.328  10.713 -10.392
  373   HG22  VAL  50          HG22      VAL  50   0.319   9.732  -8.912
  374   HG23  VAL  50          HG23      VAL  50   1.628   9.552 -10.094
  375    H    HIS  51           H        HIS  51  -2.571   6.432  -9.569
  376    HA   HIS  51           HA       HIS  51  -3.067   7.392  -6.809
  377    HB2  HIS  51           HB2      HIS  51  -5.111   7.738  -8.139
  378    HB3  HIS  51           HB3      HIS  51  -5.067   6.059  -8.675
  379    HD1  HIS  51           HD1      HIS  51  -6.266   4.333  -7.075
  380    HD2  HIS  51           HD2      HIS  51  -5.560   8.133  -5.403
  381    HE1  HIS  51           HE1      HIS  51  -7.496   4.375  -4.847
  382    H    VAL  52           H        VAL  52  -2.184   5.969  -5.471
  383    HA   VAL  52           HA       VAL  52  -0.934   4.211  -4.782
  384    HB   VAL  52           HB       VAL  52  -3.490   2.696  -5.385
  385   HG11  VAL  52          HG11      VAL  52  -1.531   2.587  -3.028
  386   HG12  VAL  52          HG12      VAL  52  -3.021   1.633  -3.190
  387   HG13  VAL  52          HG13      VAL  52  -1.678   1.354  -4.293
  388   HG21  VAL  52          HG21      VAL  52  -4.154   4.863  -4.423
  389   HG22  VAL  52          HG22      VAL  52  -4.336   3.598  -3.219
  390   HG23  VAL  52          HG23      VAL  52  -2.943   4.696  -3.138
  391    H    GLY  53           H        GLY  53   0.104   4.672  -7.171
  392    HA2  GLY  53           HA2      GLY  53   1.745   3.620  -8.374
  393    HA3  GLY  53           HA3      GLY  53   1.164   2.055  -7.806
  394    H    PHE  54           H        PHE  54  -1.468   3.752  -9.262
  395    HA   PHE  54           HA       PHE  54  -0.848   2.606 -11.955
  396    HB2  PHE  54           HB2      PHE  54  -3.454   2.523 -10.389
  397    HB3  PHE  54           HB3      PHE  54  -3.335   2.213 -12.111
  398    HD1  PHE  54           HD2      PHE  54  -2.320   0.175 -13.010
  399    HD2  PHE  54           HD1      PHE  54  -2.569   0.864  -8.757
  400    HE1  PHE  54           HE2      PHE  54  -1.825  -2.215 -12.593
  401    HE2  PHE  54           HE1      PHE  54  -2.062  -1.531  -8.343
  402    HZ   PHE  54           HZ       PHE  54  -1.691  -3.077 -10.260
  403    H    ALA  55           H        ALA  55  -1.593   3.772 -13.707
  404    HA   ALA  55           HA       ALA  55  -2.101   6.615 -13.425
  405    HB1  ALA  55           HB1      ALA  55  -2.610   6.418 -15.881
  406    HB2  ALA  55           HB2      ALA  55  -1.025   5.752 -15.432
  407    HB3  ALA  55           HB3      ALA  55  -2.397   4.661 -15.749
  408    H    MET  56           H        MET  56  -3.996   7.430 -12.702
  409    HA   MET  56           HA       MET  56  -6.426   5.804 -12.579
  410    HB2  MET  56           HB2      MET  56  -5.764   7.319 -10.752
  411    HB3  MET  56           HB3      MET  56  -5.864   8.705 -11.837
  412    HG2  MET  56           HG2      MET  56  -8.284   8.288 -12.153
  413    HG3  MET  56           HG3      MET  56  -8.177   6.889 -11.073
  414    HE1  MET  56           HE1      MET  56 -10.239   9.507  -8.994
  415    HE2  MET  56           HE2      MET  56 -10.281   9.270 -10.755
  416    HE3  MET  56           HE3      MET  56 -10.201   7.864  -9.669
  417    H    SER  57           H        SER  57  -5.359   8.829 -14.315
  418    HA   SER  57           HA       SER  57  -6.668   7.982 -16.741
  419    HB2  SER  57           HB2      SER  57  -7.756  10.402 -15.218
  420    HB3  SER  57           HB3      SER  57  -8.070  10.087 -16.930
  421    HG   SER  57           HG       SER  57  -8.576   7.980 -15.211
  422    H    VAL  58           H        VAL  58  -5.763   9.138 -18.505
  423    HA   VAL  58           HA       VAL  58  -3.449  10.870 -18.002
  424    HB   VAL  58           HB       VAL  58  -4.880   9.970 -20.539
  425   HG11  VAL  58          HG11      VAL  58  -2.914  10.744 -21.789
  426   HG12  VAL  58          HG12      VAL  58  -3.685  12.105 -20.977
  427   HG13  VAL  58          HG13      VAL  58  -2.194  11.400 -20.309
  428   HG21  VAL  58          HG21      VAL  58  -2.240   9.082 -19.276
  429   HG22  VAL  58          HG22      VAL  58  -3.733   8.125 -19.347
  430   HG23  VAL  58          HG23      VAL  58  -2.881   8.523 -20.835
  431    H    ILE  59           H        ILE  59  -3.431  13.148 -18.517
  432    HA   ILE  59           HA       ILE  59  -6.023  14.492 -18.951
  433    HB   ILE  59           HB       ILE  59  -5.642  16.039 -17.119
  434   HG12  ILE  59          HG12      ILE  59  -3.224  14.378 -16.403
  435   HG13  ILE  59          HG13      ILE  59  -3.285  16.074 -16.914
  436   HG21  ILE  59          HG21      ILE  59  -5.626  13.212 -16.005
  437   HG22  ILE  59          HG22      ILE  59  -6.392  14.657 -15.308
  438   HG23  ILE  59          HG23      ILE  59  -7.023  13.970 -16.801
  439   HD11  ILE  59          HD11      ILE  59  -4.571  16.595 -14.817
  440   HD12  ILE  59          HD12      ILE  59  -4.270  14.924 -14.281
  441   HD13  ILE  59          HD13      ILE  59  -2.910  16.015 -14.547
  442    H    ASN  60           H        ASN  60  -5.703  16.777 -19.571
  443    HA   ASN  60           HA       ASN  60  -3.282  17.003 -21.257
  444    HB2  ASN  60           HB2      ASN  60  -4.286  18.787 -22.383
  445    HB3  ASN  60           HB3      ASN  60  -5.541  17.590 -22.162
  446   HD21  ASN  60          HD22      ASN  60  -7.500  18.382 -21.346
  447   HD22  ASN  60          HD21      ASN  60  -7.676  19.944 -20.592
  448    H    GLU  61           H        GLU  61  -2.218  19.285 -21.309
  449    HA   GLU  61           HA       GLU  61  -0.766  19.477 -18.899
  450    HB2  GLU  61           HB2      GLU  61  -1.038  21.317 -21.318
  451    HB3  GLU  61           HB3      GLU  61   0.039  21.689 -19.989
  452    HG2  GLU  61           HG2      GLU  61   0.574  18.966 -20.779
  453    HG3  GLU  61           HG3      GLU  61   0.477  19.937 -22.237
  454    H    ALA  62           H        ALA  62  -3.486  21.476 -20.080
  455    HA   ALA  62           HA       ALA  62  -3.062  23.529 -18.028
  456    HB1  ALA  62           HB1      ALA  62  -3.964  24.129 -20.255
  457    HB2  ALA  62           HB2      ALA  62  -5.380  23.087 -19.971
  458    HB3  ALA  62           HB3      ALA  62  -5.115  24.525 -18.963
  459    H    GLU  63           H        GLU  63  -5.199  20.771 -18.630
  460    HA   GLU  63           HA       GLU  63  -6.898  20.974 -16.348
  461    HB2  GLU  63           HB2      GLU  63  -7.326  19.624 -18.313
  462    HB3  GLU  63           HB3      GLU  63  -5.880  18.652 -18.026
  463    HG2  GLU  63           HG2      GLU  63  -6.906  17.688 -16.014
  464    HG3  GLU  63           HG3      GLU  63  -8.313  18.742 -16.217
  465    H    ALA  64           H        ALA  64  -3.638  19.465 -16.825
  466    HA   ALA  64           HA       ALA  64  -3.412  18.509 -14.143
  467    HB1  ALA  64           HB1      ALA  64  -1.145  19.396 -15.977
  468    HB2  ALA  64           HB2      ALA  64  -1.059  18.307 -14.586
  469    HB3  ALA  64           HB3      ALA  64  -1.941  17.814 -16.046
  470    H    ARG  65           H        ARG  65  -2.441  21.687 -15.618
  471    HA   ARG  65           HA       ARG  65  -1.306  22.674 -13.164
  472    HB2  ARG  65           HB2      ARG  65  -2.598  24.348 -15.364
  473    HB3  ARG  65           HB3      ARG  65  -1.538  24.916 -14.086
  474    HG2  ARG  65           HG2      ARG  65  -0.834  23.410 -16.580
  475    HG3  ARG  65           HG3      ARG  65  -0.161  24.888 -15.935
  476    HD2  ARG  65           HD2      ARG  65   0.906  23.557 -14.086
  477    HD3  ARG  65           HD3      ARG  65   0.333  22.074 -14.857
  478    HE   ARG  65           HE       ARG  65   2.577  23.733 -15.617
  479   HH11  ARG  65          HH21      ARG  65   0.173  21.468 -17.054
  480   HH12  ARG  65          HH22      ARG  65   1.348  20.924 -18.245
  481   HH21  ARG  65          HH11      ARG  65   3.951  22.973 -17.379
  482   HH22  ARG  65          HH12      ARG  65   3.292  21.785 -18.485
  483    H    ASP  66           H        ASP  66  -4.650  22.848 -14.463
  484    HA   ASP  66           HA       ASP  66  -5.722  24.414 -12.348
  485    HB2  ASP  66           HB2      ASP  66  -6.933  24.020 -14.429
  486    HB3  ASP  66           HB3      ASP  66  -7.024  22.289 -14.093
  487    H    THR  67           H        THR  67  -5.347  20.841 -12.669
  488    HA   THR  67           HA       THR  67  -6.602  20.222 -10.183
  489    HB   THR  67           HB       THR  67  -4.440  18.647 -11.647
  490    HG1  THR  67           HG1      THR  67  -6.115  19.067 -13.064
  491   HG21  THR  67          HG21      THR  67  -6.707  17.727  -9.814
  492   HG22  THR  67          HG22      THR  67  -5.520  16.685 -10.632
  493   HG23  THR  67          HG23      THR  67  -4.995  17.792  -9.360
  494    H    LEU  68           H        LEU  68  -3.152  20.899 -11.017
  495    HA   LEU  68           HA       LEU  68  -2.103  20.420  -8.407
  496    HB2  LEU  68           HB2      LEU  68  -1.196  22.147 -10.740
  497    HB3  LEU  68           HB3      LEU  68  -0.278  22.070  -9.246
  498    HG   LEU  68           HG       LEU  68  -0.966  19.565 -10.831
  499   HD11  LEU  68          HD11      LEU  68   1.543  21.289 -11.016
  500   HD12  LEU  68          HD12      LEU  68   1.302  19.701 -11.783
  501   HD13  LEU  68          HD13      LEU  68   0.314  21.074 -12.283
  502   HD21  LEU  68          HD21      LEU  68   1.186  20.143  -8.740
  503   HD22  LEU  68          HD22      LEU  68  -0.285  19.187  -8.472
  504   HD23  LEU  68          HD23      LEU  68   0.943  18.604  -9.595
  505    H    ASP  69           H        ASP  69  -3.368  23.428  -9.944
  506    HA   ASP  69           HA       ASP  69  -2.897  25.139  -7.707
  507    HB2  ASP  69           HB2      ASP  69  -3.410  26.012  -9.923
  508    HB3  ASP  69           HB3      ASP  69  -5.007  25.259  -9.894
  509    H    ALA  70           H        ALA  70  -5.797  23.168  -8.593
  510    HA   ALA  70           HA       ALA  70  -7.383  23.990  -6.397
  511    HB1  ALA  70           HB1      ALA  70  -8.280  22.803  -8.366
  512    HB2  ALA  70           HB2      ALA  70  -7.398  21.331  -7.896
  513    HB3  ALA  70           HB3      ALA  70  -8.699  21.957  -6.863
  514    H    LEU  71           H        LEU  71  -5.029  21.285  -6.683
  515    HA   LEU  71           HA       LEU  71  -5.494  20.229  -4.066
  516    HB2  LEU  71           HB2      LEU  71  -4.416  19.006  -5.903
  517    HB3  LEU  71           HB3      LEU  71  -3.042  20.092  -5.882
  518    HG   LEU  71           HG       LEU  71  -2.743  17.820  -4.853
  519   HD11  LEU  71          HD11      LEU  71  -2.108  20.031  -2.871
  520   HD12  LEU  71          HD12      LEU  71  -1.285  18.486  -3.096
  521   HD13  LEU  71          HD13      LEU  71  -1.201  19.713  -4.368
  522   HD21  LEU  71          HD21      LEU  71  -4.911  17.670  -3.662
  523   HD22  LEU  71          HD22      LEU  71  -3.523  17.338  -2.615
  524   HD23  LEU  71          HD23      LEU  71  -4.353  18.900  -2.507
  525    H    GLN  72           H        GLN  72  -2.979  22.526  -5.311
  526    HA   GLN  72           HA       GLN  72  -1.747  22.939  -2.804
  527    HB2  GLN  72           HB2      GLN  72  -0.705  23.479  -4.942
  528    HB3  GLN  72           HB3      GLN  72  -1.891  24.760  -5.248
  529    HG2  GLN  72           HG2      GLN  72  -1.022  26.116  -3.463
  530    HG3  GLN  72           HG3      GLN  72  -0.107  24.776  -2.789
  531   HE21  GLN  72          HE22      GLN  72   2.076  24.649  -3.347
  532   HE22  GLN  72          HE21      GLN  72   2.783  25.489  -4.706
  533    H    ASN  73           H        ASN  73  -4.608  24.524  -4.244
  534    HA   ASN  73           HA       ASN  73  -4.859  26.680  -2.499
  535    HB2  ASN  73           HB2      ASN  73  -6.288  26.217  -4.512
  536    HB3  ASN  73           HB3      ASN  73  -7.149  24.988  -3.577
  537   HD21  ASN  73          HD22      ASN  73  -6.365  28.478  -3.741
  538   HD22  ASN  73          HD21      ASN  73  -7.730  29.009  -2.795
  539    H    MET  74           H        MET  74  -5.529  23.256  -1.834
  540    HA   MET  74           HA       MET  74  -7.086  23.609   0.536
  541    HB2  MET  74           HB2      MET  74  -5.250  21.288  -0.192
  542    HB3  MET  74           HB3      MET  74  -6.567  21.263   0.978
  543    HG2  MET  74           HG2      MET  74  -8.206  21.673  -0.822
  544    HG3  MET  74           HG3      MET  74  -6.899  21.728  -2.007
  545    HE1  MET  74           HE1      MET  74  -9.351  19.951  -2.560
  546    HE2  MET  74           HE2      MET  74  -7.910  20.018  -3.600
  547    HE3  MET  74           HE3      MET  74  -8.574  18.446  -3.100
  548    H    PHE  75           H        PHE  75  -3.735  24.219  -0.027
  549    HA   PHE  75           HA       PHE  75  -3.126  24.147   2.897
  550    HB2  PHE  75           HB2      PHE  75  -1.252  23.664   0.560
  551    HB3  PHE  75           HB3      PHE  75  -0.837  23.586   2.268
  552    HD1  PHE  75           HD2      PHE  75  -1.899  21.769   3.727
  553    HD2  PHE  75           HD1      PHE  75  -2.190  21.763  -0.580
  554    HE1  PHE  75           HE2      PHE  75  -2.517  19.365   3.767
  555    HE2  PHE  75           HE1      PHE  75  -2.813  19.367  -0.531
  556    HZ   PHE  75           HZ       PHE  75  -2.977  18.159   1.639
  557    H    ASP  76           H        ASP  76  -3.023  26.017  -0.126
  558    HA   ASP  76           HA       ASP  76  -1.388  28.158   0.710
  559    HB2  ASP  76           HB2      ASP  76  -2.240  27.891  -1.579
  560    HB3  ASP  76           HB3      ASP  76  -3.891  28.171  -1.015
  561    H    VAL  77           H        VAL  77  -4.736  27.366   1.577
  562    HA   VAL  77           HA       VAL  77  -5.322  29.829   2.933
  563    HB   VAL  77           HB       VAL  77  -7.224  28.528   3.885
  564   HG11  VAL  77          HG11      VAL  77  -7.408  29.681   1.714
  565   HG12  VAL  77          HG12      VAL  77  -6.869  28.213   0.873
  566   HG13  VAL  77          HG13      VAL  77  -8.399  28.216   1.768
  567   HG21  VAL  77          HG21      VAL  77  -6.153  26.275   4.020
  568   HG22  VAL  77          HG22      VAL  77  -7.689  26.253   3.149
  569   HG23  VAL  77          HG23      VAL  77  -6.168  26.172   2.251
  570    H    GLU  78           H        GLU  78  -3.077  27.430   3.794
  571    HA   GLU  78           HA       GLU  78  -3.033  28.357   6.605
  572    HB2  GLU  78           HB2      GLU  78  -2.925  25.461   5.662
  573    HB3  GLU  78           HB3      GLU  78  -2.396  25.993   7.255
  574    HG2  GLU  78           HG2      GLU  78  -5.219  26.205   6.142
  575    HG3  GLU  78           HG3      GLU  78  -4.644  25.030   7.313
  576    HA   PRO  79           HA       PRO  79   0.668  28.705   3.849
  577    HB2  PRO  79           HB2      PRO  79   1.623  31.165   4.686
  578    HB3  PRO  79           HB3      PRO  79   0.347  30.929   3.453
  579    HG2  PRO  79           HG2      PRO  79   0.002  31.511   6.407
  580    HG3  PRO  79           HG3      PRO  79  -0.819  32.295   5.019
  581    HD2  PRO  79           HD2      PRO  79  -2.013  30.317   6.436
  582    HD3  PRO  79           HD3      PRO  79  -2.203  30.407   4.661
  583    H    ASP  80           H        ASP  80   0.459  28.830   7.357
  584    HA   ASP  80           HA       ASP  80   3.231  28.542   7.999
  585    HB2  ASP  80           HB2      ASP  80   1.531  28.981   9.695
  586    HB3  ASP  80           HB3      ASP  80   0.729  27.448   9.338
  587    H    VAL  81           H        VAL  81   0.778  26.235   6.813
  588    HA   VAL  81           HA       VAL  81   2.614  23.934   6.988
  589    HB   VAL  81           HB       VAL  81  -0.156  24.175   5.716
  590   HG11  VAL  81          HG11      VAL  81  -0.187  21.708   5.897
  591   HG12  VAL  81          HG12      VAL  81   1.125  22.256   4.851
  592   HG13  VAL  81          HG13      VAL  81   1.481  21.726   6.510
  593   HG21  VAL  81          HG21      VAL  81   0.622  23.173   8.492
  594   HG22  VAL  81          HG22      VAL  81  -0.353  24.614   8.130
  595   HG23  VAL  81          HG23      VAL  81  -0.987  23.014   7.753
  596    H    GLY  82           H        GLY  82   1.074  26.089   4.529
  597    HA2  GLY  82           HA2      GLY  82   2.016  24.954   2.194
  598    HA3  GLY  82           HA3      GLY  82   1.754  26.691   2.425
  599    H    ALA  83           H        ALA  83   3.780  27.324   4.262
  600    HA   ALA  83           HA       ALA  83   6.043  27.561   2.565
  601    HB1  ALA  83           HB1      ALA  83   5.781  28.109   5.552
  602    HB2  ALA  83           HB2      ALA  83   7.023  28.762   4.458
  603    HB3  ALA  83           HB3      ALA  83   5.333  29.236   4.249
  604    H    LEU  84           H        LEU  84   5.198  24.774   4.211
  605    HA   LEU  84           HA       LEU  84   8.043  23.867   4.257
  606    HB2  LEU  84           HB2      LEU  84   7.157  24.044   6.536
  607    HB3  LEU  84           HB3      LEU  84   5.775  23.039   6.097
  608    HG   LEU  84           HG       LEU  84   7.232  21.102   5.722
  609   HD11  LEU  84          HD11      LEU  84   9.643  21.168   6.368
  610   HD12  LEU  84          HD12      LEU  84   9.314  22.137   4.933
  611   HD13  LEU  84          HD13      LEU  84   9.544  22.937   6.504
  612   HD21  LEU  84          HD21      LEU  84   6.350  21.540   7.979
  613   HD22  LEU  84          HD22      LEU  84   7.922  20.730   8.045
  614   HD23  LEU  84          HD23      LEU  84   7.809  22.473   8.377
  615    H    LEU  85           H        LEU  85   4.612  23.109   3.494
  616    HA   LEU  85           HA       LEU  85   5.167  20.592   2.249
  617    HB2  LEU  85           HB2      LEU  85   2.918  21.370   2.950
  618    HB3  LEU  85           HB3      LEU  85   2.963  22.622   1.704
  619    HG   LEU  85           HG       LEU  85   2.969  20.917  -0.069
  620   HD11  LEU  85          HD11      LEU  85   4.178  19.054   0.969
  621   HD12  LEU  85          HD12      LEU  85   2.908  18.873   2.201
  622   HD13  LEU  85          HD13      LEU  85   2.572  18.511   0.493
  623   HD21  LEU  85          HD21      LEU  85   0.824  21.720   0.891
  624   HD22  LEU  85          HD22      LEU  85   0.701  20.072   0.268
  625   HD23  LEU  85          HD23      LEU  85   0.820  20.354   2.019
  626    H    TYR  86           H        TYR  86   5.437  23.957   1.164
  627    HA   TYR  86           HA       TYR  86   6.659  23.068  -1.403
  628    HB2  TYR  86           HB2      TYR  86   4.920  25.526  -0.976
  629    HB3  TYR  86           HB3      TYR  86   5.571  24.937  -2.497
  630    HD1  TYR  86           HD2      TYR  86   4.791  22.554  -3.291
  631    HD2  TYR  86           HD1      TYR  86   2.741  24.916  -0.320
  632    HE1  TYR  86           HE2      TYR  86   2.731  21.240  -3.680
  633    HE2  TYR  86           HE1      TYR  86   0.673  23.606  -0.706
  634    HH   TYR  86           HH       TYR  86   0.510  20.905  -3.061
  635    H    GLY  87           H        GLY  87   7.996  23.644   1.170
  636    HA2  GLY  87           HA2      GLY  87   9.986  25.537   0.374
  637    HA3  GLY  87           HA3      GLY  87   8.888  26.245   1.570
  638    H    GLU  88           H        GLU  88  10.791  26.265   3.022
  639    HA   GLU  88           HA       GLU  88  11.252  23.662   4.386
  640    HB2  GLU  88           HB2      GLU  88  13.410  25.618   3.474
  641    HB3  GLU  88           HB3      GLU  88  13.675  24.220   4.524
  642    HG2  GLU  88           HG2      GLU  88  12.873  22.713   2.707
  643    HG3  GLU  88           HG3      GLU  88  12.746  24.107   1.629
  644    H    GLU  89           H        GLU  89   9.657  26.275   4.925
  645    HA   GLU  89           HA       GLU  89  11.069  27.678   7.006
  646    HB2  GLU  89           HB2      GLU  89   9.213  28.646   5.659
  647    HB3  GLU  89           HB3      GLU  89   8.092  27.489   6.385
  648    HG2  GLU  89           HG2      GLU  89   7.876  29.690   7.412
  649    HG3  GLU  89           HG3      GLU  89   8.402  28.500   8.592
  650    H    LYS  90           H        LYS  90  10.809  27.513   9.274
  651    HA   LYS  90           HA       LYS  90   9.169  25.456  10.474
  652    HB2  LYS  90           HB2      LYS  90  11.109  24.087   9.714
  653    HB3  LYS  90           HB3      LYS  90  12.202  25.144  10.623
  654    HG2  LYS  90           HG2      LYS  90  11.088  24.488  12.740
  655    HG3  LYS  90           HG3      LYS  90   9.897  23.544  11.835
  656    HD2  LYS  90           HD2      LYS  90  11.531  22.052  12.797
  657    HD3  LYS  90           HD3      LYS  90  11.694  22.032  11.034
  658    HE2  LYS  90           HE2      LYS  90  13.633  23.579  11.195
  659    HE3  LYS  90           HE3      LYS  90  13.443  23.646  12.952
  660    HZ1  LYS  90           HZ1      LYS  90  13.943  21.274  13.031
  661    HZ2  LYS  90           HZ2      LYS  90  14.115  21.210  11.405
  662    HZ3  LYS  90           HZ3      LYS  90  15.157  22.080  12.304
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1   5.273   9.306   2.823
    2    H2   MET   1           H2       MET   1   3.651   9.463   2.996
    3    H3   MET   1           H3       MET   1   4.250   8.410   1.901
    4    HA   MET   1           HA       MET   1   4.502  11.330   1.801
    5    HB2  MET   1           HB2      MET   1   6.487  10.220   0.855
    6    HB3  MET   1           HB3      MET   1   5.466   9.247  -0.211
    7    HG2  MET   1           HG2      MET   1   6.493  11.167  -1.364
    8    HG3  MET   1           HG3      MET   1   4.739  11.226  -1.411
    9    HE1  MET   1           HE1      MET   1   4.662  13.689  -2.193
   10    HE2  MET   1           HE2      MET   1   5.597  15.008  -1.452
   11    HE3  MET   1           HE3      MET   1   6.440  13.678  -2.278
   12    H    CYS   2           H        CYS   2   2.842  12.399   0.804
   13    HA   CYS   2           HA       CYS   2   0.380  11.085   0.256
   14    HB2  CYS   2           HB2      CYS   2   1.358  13.835  -0.655
   15    HB3  CYS   2           HB3      CYS   2  -0.324  13.295  -0.580
   16    HG   CYS   2           HG       CYS   2   0.145  14.961   1.383
   17    H    ILE   3           H        ILE   3  -0.733  10.795  -1.718
   18    HA   ILE   3           HA       ILE   3   0.540  11.103  -4.272
   19    HB   ILE   3           HB       ILE   3   1.602   9.028  -3.367
   20   HG12  ILE   3          HG12      ILE   3   1.310   7.540  -5.225
   21   HG13  ILE   3          HG13      ILE   3  -0.166   8.350  -5.730
   22   HG21  ILE   3          HG21      ILE   3  -1.166   7.767  -3.432
   23   HG22  ILE   3          HG22      ILE   3   0.377   6.978  -3.032
   24   HG23  ILE   3          HG23      ILE   3  -0.273   8.215  -1.960
   25   HD11  ILE   3          HD11      ILE   3   1.084  10.366  -6.325
   26   HD12  ILE   3          HD12      ILE   3   2.563   9.710  -5.575
   27   HD13  ILE   3          HD13      ILE   3   1.900   8.970  -7.040
   28    H    GLY   4           H        GLY   4  -1.236   9.952  -5.950
   29    HA2  GLY   4           HA2      GLY   4  -3.508   9.853  -6.529
   30    HA3  GLY   4           HA3      GLY   4  -3.983  10.493  -4.949
   31    H    VAL   5           H        VAL   5  -1.575  11.630  -7.403
   32    HA   VAL   5           HA       VAL   5  -2.921  14.249  -7.604
   33    HB   VAL   5           HB       VAL   5  -0.796  15.406  -7.035
   34   HG11  VAL   5          HG11      VAL   5  -1.688  13.655  -4.711
   35   HG12  VAL   5          HG12      VAL   5  -0.944  15.261  -4.642
   36   HG13  VAL   5          HG13      VAL   5  -2.576  15.074  -5.303
   37   HG21  VAL   5          HG21      VAL   5   0.218  12.704  -6.046
   38   HG22  VAL   5          HG22      VAL   5   0.823  13.586  -7.463
   39   HG23  VAL   5          HG23      VAL   5   1.016  14.275  -5.848
   40    HA   PRO   6           HA       PRO   6  -1.357  14.100 -11.779
   41    HB2  PRO   6           HB2      PRO   6  -0.175  16.841 -11.353
   42    HB3  PRO   6           HB3      PRO   6  -1.187  16.249 -12.704
   43    HG2  PRO   6           HG2      PRO   6  -2.264  17.785 -10.741
   44    HG3  PRO   6           HG3      PRO   6  -3.163  16.372 -11.373
   45    HD2  PRO   6           HD2      PRO   6  -1.510  16.586  -8.849
   46    HD3  PRO   6           HD3      PRO   6  -3.120  15.833  -9.086
   47    H    GLY   7           H        GLY   7   0.534  13.745 -12.992
   48    HA2  GLY   7           HA2      GLY   7   3.155  14.626 -12.111
   49    HA3  GLY   7           HA3      GLY   7   2.928  12.860 -12.132
   50    H    GLN   8           H        GLN   8   4.759  13.922 -13.914
   51    HA   GLN   8           HA       GLN   8   3.312  13.925 -16.538
   52    HB2  GLN   8           HB2      GLN   8   4.523  16.083 -15.828
   53    HB3  GLN   8           HB3      GLN   8   6.026  15.173 -16.043
   54    HG2  GLN   8           HG2      GLN   8   5.174  14.621 -18.419
   55    HG3  GLN   8           HG3      GLN   8   3.878  15.786 -18.128
   56   HE21  GLN   8          HE22      GLN   8   4.665  18.080 -17.487
   57   HE22  GLN   8          HE21      GLN   8   6.139  18.640 -18.249
   58    H    ILE   9           H        ILE   9   3.896  12.419 -17.993
   59    HA   ILE   9           HA       ILE   9   5.541  10.164 -17.199
   60    HB   ILE   9           HB       ILE   9   4.143  10.924 -19.804
   61   HG12  ILE   9          HG12      ILE   9   3.316   8.993 -17.584
   62   HG13  ILE   9          HG13      ILE   9   2.624  10.596 -17.849
   63   HG21  ILE   9          HG21      ILE   9   4.431   8.582 -20.481
   64   HG22  ILE   9          HG22      ILE   9   6.008   9.294 -20.190
   65   HG23  ILE   9          HG23      ILE   9   5.294   8.222 -18.974
   66   HD11  ILE   9          HD11      ILE   9   1.780   9.880 -20.054
   67   HD12  ILE   9          HD12      ILE   9   2.348   8.222 -19.710
   68   HD13  ILE   9          HD13      ILE   9   1.106   8.965 -18.697
   69    H    ARG  10           H        ARG  10   7.712  10.791 -16.930
   70    HA   ARG  10           HA       ARG  10   8.966  12.525 -18.955
   71    HB2  ARG  10           HB2      ARG  10   9.975  11.136 -16.452
   72    HB3  ARG  10           HB3      ARG  10  11.030  12.080 -17.490
   73    HG2  ARG  10           HG2      ARG  10   8.539  13.293 -16.209
   74    HG3  ARG  10           HG3      ARG  10  10.076  13.156 -15.368
   75    HD2  ARG  10           HD2      ARG  10   9.982  15.350 -16.210
   76    HD3  ARG  10           HD3      ARG  10  11.192  14.496 -17.149
   77    HE   ARG  10           HE       ARG  10   8.478  15.392 -18.018
   78   HH11  ARG  10          HH11      ARG  10  11.638  14.082 -19.021
   79   HH12  ARG  10          HH12      ARG  10  11.387  14.445 -20.687
   80   HH21  ARG  10          HH21      ARG  10   8.188  15.909 -20.114
   81   HH22  ARG  10          HH22      ARG  10   9.355  15.522 -21.352
   82    H    THR  11           H        THR  11   9.141   9.102 -17.876
   83    HA   THR  11           HA       THR  11  10.227   8.339 -20.503
   84    HB   THR  11           HB       THR  11  11.770   6.787 -19.028
   85    HG1  THR  11           HG1      THR  11  12.444   7.625 -17.165
   86   HG21  THR  11          HG21      THR  11  13.629   8.335 -19.257
   87   HG22  THR  11          HG22      THR  11  12.579   8.484 -20.675
   88   HG23  THR  11          HG23      THR  11  12.524   9.717 -19.392
   89    H    ILE  12           H        ILE  12  10.051   5.974 -20.833
   90    HA   ILE  12           HA       ILE  12   7.830   4.714 -19.330
   91    HB   ILE  12           HB       ILE  12   8.023   4.996 -22.356
   92   HG12  ILE  12          HG12      ILE  12   6.085   6.270 -20.374
   93   HG13  ILE  12          HG13      ILE  12   7.309   7.108 -21.326
   94   HG21  ILE  12          HG21      ILE  12   7.039   2.826 -21.705
   95   HG22  ILE  12          HG22      ILE  12   5.872   3.655 -20.646
   96   HG23  ILE  12          HG23      ILE  12   5.820   3.850 -22.410
   97   HD11  ILE  12          HD11      ILE  12   6.105   6.316 -23.417
   98   HD12  ILE  12          HD12      ILE  12   4.757   5.853 -22.344
   99   HD13  ILE  12          HD13      ILE  12   5.294   7.536 -22.419
  100    H    ASP  13           H        ASP  13   7.992   2.444 -19.297
  101    HA   ASP  13           HA       ASP  13  10.549   1.275 -20.348
  102    HB2  ASP  13           HB2      ASP  13  10.579   1.660 -17.918
  103    HB3  ASP  13           HB3      ASP  13   9.082   0.742 -17.742
  104    H    GLY  14           H        GLY  14   7.096   1.064 -20.320
  105    HA2  GLY  14           HA2      GLY  14   6.706  -0.871 -22.225
  106    HA3  GLY  14           HA3      GLY  14   6.788  -1.779 -20.693
  107    H    ASN  15           H        ASN  15   4.646  -2.164 -20.138
  108    HA   ASN  15           HA       ASN  15   2.601  -0.087 -20.336
  109    HB2  ASN  15           HB2      ASN  15   2.202  -2.637 -20.434
  110    HB3  ASN  15           HB3      ASN  15   2.475  -2.628 -18.675
  111   HD21  ASN  15          HD22      ASN  15   0.620  -0.584 -21.086
  112   HD22  ASN  15          HD21      ASN  15  -0.851  -0.557 -20.127
  113    H    GLN  16           H        GLN  16   5.074   0.550 -18.835
  114    HA   GLN  16           HA       GLN  16   3.935   1.475 -16.333
  115    HB2  GLN  16           HB2      GLN  16   6.456  -0.242 -16.526
  116    HB3  GLN  16           HB3      GLN  16   6.075   0.789 -15.141
  117    HG2  GLN  16           HG2      GLN  16   4.056  -0.473 -14.658
  118    HG3  GLN  16           HG3      GLN  16   4.267  -1.466 -16.107
  119   HE21  GLN  16          HE22      GLN  16   5.994  -0.558 -13.042
  120   HE22  GLN  16          HE21      GLN  16   6.699  -2.151 -12.833
  121    H    ALA  17           H        ALA  17   5.041   3.370 -15.657
  122    HA   ALA  17           HA       ALA  17   7.137   4.471 -17.438
  123    HB1  ALA  17           HB1      ALA  17   5.058   5.326 -18.401
  124    HB2  ALA  17           HB2      ALA  17   4.462   5.803 -16.790
  125    HB3  ALA  17           HB3      ALA  17   5.851   6.632 -17.509
  126    H    LYS  18           H        LYS  18   8.077   6.453 -16.519
  127    HA   LYS  18           HA       LYS  18   8.179   6.300 -13.530
  128    HB2  LYS  18           HB2      LYS  18  10.341   7.004 -15.545
  129    HB3  LYS  18           HB3      LYS  18  10.489   7.194 -13.790
  130    HG2  LYS  18           HG2      LYS  18  10.100   4.761 -13.485
  131    HG3  LYS  18           HG3      LYS  18  10.004   4.559 -15.247
  132    HD2  LYS  18           HD2      LYS  18  12.321   5.407 -15.479
  133    HD3  LYS  18           HD3      LYS  18  12.425   5.606 -13.714
  134    HE2  LYS  18           HE2      LYS  18  12.009   3.169 -13.421
  135    HE3  LYS  18           HE3      LYS  18  11.914   2.973 -15.176
  136    HZ1  LYS  18           HZ1      LYS  18  14.233   3.684 -15.314
  137    HZ2  LYS  18           HZ2      LYS  18  14.319   3.868 -13.692
  138    HZ3  LYS  18           HZ3      LYS  18  14.099   2.390 -14.335
  139    H    VAL  19           H        VAL  19   6.368   7.690 -13.381
  140    HA   VAL  19           HA       VAL  19   6.273  10.198 -14.823
  141    HB   VAL  19           HB       VAL  19   4.317  10.566 -13.194
  142   HG11  VAL  19          HG11      VAL  19   3.947   9.959 -15.476
  143   HG12  VAL  19          HG12      VAL  19   4.299   8.241 -15.152
  144   HG13  VAL  19          HG13      VAL  19   2.857   9.018 -14.462
  145   HG21  VAL  19          HG21      VAL  19   4.703   7.600 -12.595
  146   HG22  VAL  19          HG22      VAL  19   4.884   8.924 -11.433
  147   HG23  VAL  19          HG23      VAL  19   3.310   8.587 -12.156
  148    H    ASP  20           H        ASP  20   7.001  12.168 -14.093
  149    HA   ASP  20           HA       ASP  20   8.390  12.301 -11.476
  150    HB2  ASP  20           HB2      ASP  20   9.468  13.609 -13.158
  151    HB3  ASP  20           HB3      ASP  20   7.934  14.290 -13.727
  152    H    VAL  21           H        VAL  21   7.094  12.407  -9.754
  153    HA   VAL  21           HA       VAL  21   4.354  13.456  -9.973
  154    HB   VAL  21           HB       VAL  21   5.708  12.244  -7.529
  155   HG11  VAL  21          HG11      VAL  21   3.526  13.448  -7.161
  156   HG12  VAL  21          HG12      VAL  21   2.770  12.405  -8.380
  157   HG13  VAL  21          HG13      VAL  21   3.397  11.716  -6.865
  158   HG21  VAL  21          HG21      VAL  21   4.198  10.827  -9.773
  159   HG22  VAL  21          HG22      VAL  21   5.883  10.552  -9.281
  160   HG23  VAL  21          HG23      VAL  21   4.571  10.104  -8.193
  161    H    CYS  22           H        CYS  22   5.813  15.420 -10.637
  162    HA   CYS  22           HA       CYS  22   6.734  17.439 -10.290
  163    HB2  CYS  22           HB2      CYS  22   4.512  17.593  -8.219
  164    HB3  CYS  22           HB3      CYS  22   5.296  18.962  -9.025
  165    HG   CYS  22           HG       CYS  22   2.929  18.621 -10.052
  166    H    GLY  23           H        GLY  23   8.468  15.729  -9.082
  167    HA2  GLY  23           HA2      GLY  23   9.956  17.376  -7.446
  168    HA3  GLY  23           HA3      GLY  23   9.005  16.406  -6.308
  169    H    ILE  24           H        ILE  24   8.967  13.955  -7.951
  170    HA   ILE  24           HA       ILE  24  11.708  13.208  -8.455
  171    HB   ILE  24           HB       ILE  24  11.499  13.033  -5.948
  172   HG12  ILE  24          HG12      ILE  24  11.951  10.361  -7.330
  173   HG13  ILE  24          HG13      ILE  24  13.105  11.698  -7.303
  174   HG21  ILE  24          HG21      ILE  24   9.080  12.319  -5.905
  175   HG22  ILE  24          HG22      ILE  24   9.601  10.721  -6.485
  176   HG23  ILE  24          HG23      ILE  24  10.145  11.332  -4.904
  177   HD11  ILE  24          HD11      ILE  24  13.153  11.570  -4.802
  178   HD12  ILE  24          HD12      ILE  24  12.104  10.132  -4.890
  179   HD13  ILE  24          HD13      ILE  24  13.720  10.093  -5.610
  180    H    GLN  25           H        GLN  25  11.773  11.138  -9.563
  181    HA   GLN  25           HA       GLN  25   9.306  10.537 -11.005
  182    HB2  GLN  25           HB2      GLN  25  12.104   9.374 -11.174
  183    HB3  GLN  25           HB3      GLN  25  10.715   8.747 -12.073
  184    HG2  GLN  25           HG2      GLN  25  10.352  11.029 -13.062
  185    HG3  GLN  25           HG3      GLN  25  11.841  11.570 -12.283
  186   HE21  GLN  25          HE22      GLN  25  10.455   9.573 -14.875
  187   HE22  GLN  25          HE21      GLN  25  11.943   9.267 -15.717
  188    H    ARG  26           H        ARG  26   7.971   8.870 -10.655
  189    HA   ARG  26           HA       ARG  26   8.748   6.696  -8.752
  190    HB2  ARG  26           HB2      ARG  26   6.014   8.046  -8.978
  191    HB3  ARG  26           HB3      ARG  26   6.367   6.631  -8.002
  192    HG2  ARG  26           HG2      ARG  26   7.494   9.430  -7.538
  193    HG3  ARG  26           HG3      ARG  26   6.186   8.649  -6.643
  194    HD2  ARG  26           HD2      ARG  26   7.823   6.824  -5.986
  195    HD3  ARG  26           HD3      ARG  26   9.105   7.811  -6.717
  196    HE   ARG  26           HE       ARG  26   7.463   9.214  -4.755
  197   HH11  ARG  26          HH11      ARG  26  10.316   7.139  -5.155
  198   HH12  ARG  26          HH12      ARG  26  11.062   7.626  -3.680
  199   HH21  ARG  26          HH21      ARG  26   8.482   9.904  -2.800
  200   HH22  ARG  26          HH22      ARG  26   9.989   9.233  -2.314
  201    H    ASP  27           H        ASP  27   7.964   4.624  -9.406
  202    HA   ASP  27           HA       ASP  27   7.340   4.346 -12.235
  203    HB2  ASP  27           HB2      ASP  27   8.661   2.663 -10.944
  204    HB3  ASP  27           HB3      ASP  27   7.204   2.254 -10.034
  205    H    VAL  28           H        VAL  28   5.282   3.852 -13.128
  206    HA   VAL  28           HA       VAL  28   3.009   3.426 -11.307
  207    HB   VAL  28           HB       VAL  28   3.218   5.897 -11.802
  208   HG11  VAL  28          HG11      VAL  28   3.993   5.808 -14.161
  209   HG12  VAL  28          HG12      VAL  28   2.424   5.134 -14.648
  210   HG13  VAL  28          HG13      VAL  28   2.511   6.763 -13.976
  211   HG21  VAL  28          HG21      VAL  28   1.111   4.981 -11.114
  212   HG22  VAL  28          HG22      VAL  28   0.820   6.191 -12.373
  213   HG23  VAL  28          HG23      VAL  28   0.744   4.470 -12.782
  214    H    ASP  29           H        ASP  29   1.532   2.001 -12.161
  215    HA   ASP  29           HA       ASP  29   2.142   0.573 -14.653
  216    HB2  ASP  29           HB2      ASP  29   1.459  -0.615 -12.606
  217    HB3  ASP  29           HB3      ASP  29  -0.031   0.328 -12.538
  218    H    LEU  30           H        LEU  30   0.789   0.529 -16.471
  219    HA   LEU  30           HA       LEU  30  -0.975   2.913 -16.766
  220    HB2  LEU  30           HB2      LEU  30   0.736   1.491 -18.836
  221    HB3  LEU  30           HB3      LEU  30  -0.227   2.926 -19.113
  222    HG   LEU  30           HG       LEU  30   2.214   2.787 -17.300
  223   HD11  LEU  30          HD11      LEU  30   2.737   2.586 -19.705
  224   HD12  LEU  30          HD12      LEU  30   1.795   4.058 -20.039
  225   HD13  LEU  30          HD13      LEU  30   3.273   4.139 -19.063
  226   HD21  LEU  30          HD21      LEU  30   2.032   5.265 -17.251
  227   HD22  LEU  30          HD22      LEU  30   0.478   5.166 -18.106
  228   HD23  LEU  30          HD23      LEU  30   0.654   4.487 -16.469
  229    H    THR  31           H        THR  31  -1.711  -0.156 -16.142
  230    HA   THR  31           HA       THR  31  -2.899  -1.256 -18.408
  231    HB   THR  31           HB       THR  31  -4.564  -2.259 -16.678
  232    HG1  THR  31           HG1      THR  31  -2.642  -1.177 -14.897
  233   HG21  THR  31          HG21      THR  31  -1.579  -2.720 -16.349
  234   HG22  THR  31          HG22      THR  31  -2.874  -3.800 -15.788
  235   HG23  THR  31          HG23      THR  31  -2.651  -3.506 -17.520
  236    H    LEU  32           H        LEU  32  -4.229   1.322 -16.351
  237    HA   LEU  32           HA       LEU  32  -6.865   1.146 -17.573
  238    HB2  LEU  32           HB2      LEU  32  -5.703   3.240 -15.706
  239    HB3  LEU  32           HB3      LEU  32  -7.400   3.064 -16.128
  240    HG   LEU  32           HG       LEU  32  -5.730   1.083 -14.526
  241   HD11  LEU  32          HD11      LEU  32  -7.258   1.669 -12.689
  242   HD12  LEU  32          HD12      LEU  32  -6.405   3.096 -13.284
  243   HD13  LEU  32          HD13      LEU  32  -8.100   2.831 -13.740
  244   HD21  LEU  32          HD21      LEU  32  -7.327  -0.212 -15.846
  245   HD22  LEU  32          HD22      LEU  32  -7.875  -0.148 -14.174
  246   HD23  LEU  32          HD23      LEU  32  -8.650   0.889 -15.392
  247    H    VAL  33           H        VAL  33  -4.004   2.533 -18.760
  248    HA   VAL  33           HA       VAL  33  -5.565   4.505 -20.370
  249    HB   VAL  33           HB       VAL  33  -3.746   6.117 -20.169
  250   HG11  VAL  33          HG11      VAL  33  -5.683   6.242 -18.620
  251   HG12  VAL  33          HG12      VAL  33  -4.776   5.303 -17.415
  252   HG13  VAL  33          HG13      VAL  33  -4.198   6.900 -17.910
  253   HG21  VAL  33          HG21      VAL  33  -1.841   4.634 -19.656
  254   HG22  VAL  33          HG22      VAL  33  -1.998   5.919 -18.457
  255   HG23  VAL  33          HG23      VAL  33  -2.536   4.276 -18.059
  256    H    GLY  34           H        GLY  34  -3.044   2.058 -20.339
  257    HA2  GLY  34           HA2      GLY  34  -2.297   0.891 -22.197
  258    HA3  GLY  34           HA3      GLY  34  -2.946   2.121 -23.288
  259    H    SER  35           H        SER  35  -0.256   0.881 -23.141
  260    HA   SER  35           HA       SER  35   1.645   2.511 -21.901
  261    HB2  SER  35           HB2      SER  35   2.095   0.788 -24.351
  262    HB3  SER  35           HB3      SER  35   3.208   1.090 -23.006
  263    HG   SER  35           HG       SER  35   2.084  -0.985 -23.010
  264    H    CYS  36           H        CYS  36  -0.038   3.069 -24.898
  265    HA   CYS  36           HA       CYS  36   1.925   5.152 -25.724
  266    HB2  CYS  36           HB2      CYS  36   0.401   3.213 -27.519
  267    HB3  CYS  36           HB3      CYS  36   1.364   4.589 -28.071
  268    HG   CYS  36           HG       CYS  36   2.325   1.938 -26.337
  269    H    ASP  37           H        ASP  37   1.008   6.876 -26.846
  270    HA   ASP  37           HA       ASP  37  -1.572   7.850 -25.947
  271    HB2  ASP  37           HB2      ASP  37   0.230   9.412 -26.252
  272    HB3  ASP  37           HB3      ASP  37   0.576   8.761 -27.849
  273    H    GLU  38           H        GLU  38  -3.381   8.117 -27.127
  274    HA   GLU  38           HA       GLU  38  -4.236   6.015 -28.610
  275    HB2  GLU  38           HB2      GLU  38  -5.367   8.846 -28.736
  276    HB3  GLU  38           HB3      GLU  38  -6.202   7.366 -29.194
  277    HG2  GLU  38           HG2      GLU  38  -7.070   7.680 -27.108
  278    HG3  GLU  38           HG3      GLU  38  -5.748   6.585 -26.736
  279    H    ASN  39           H        ASN  39  -2.638   8.886 -30.008
  280    HA   ASN  39           HA       ASN  39  -3.527   8.124 -32.702
  281    HB2  ASN  39           HB2      ASN  39  -3.168  10.194 -33.315
  282    HB3  ASN  39           HB3      ASN  39  -2.991  10.582 -31.615
  283   HD21  ASN  39          HD22      ASN  39  -0.646  10.378 -30.741
  284   HD22  ASN  39          HD21      ASN  39   0.615  10.920 -31.840
  285    H    GLY  40           H        GLY  40  -1.026   7.021 -30.709
  286    HA2  GLY  40           HA2      GLY  40   0.166   5.140 -31.434
  287    HA3  GLY  40           HA3      GLY  40   0.223   5.747 -33.086
  288    H    GLN  41           H        GLN  41   1.261   7.017 -29.839
  289    HA   GLN  41           HA       GLN  41   4.065   7.032 -30.688
  290    HB2  GLN  41           HB2      GLN  41   4.399   9.390 -30.104
  291    HB3  GLN  41           HB3      GLN  41   3.196   9.257 -31.390
  292    HG2  GLN  41           HG2      GLN  41   1.395   9.504 -29.732
  293    HG3  GLN  41           HG3      GLN  41   2.581   9.685 -28.431
  294   HE21  GLN  41          HE22      GLN  41   0.440  11.511 -29.248
  295   HE22  GLN  41          HE21      GLN  41   1.243  13.029 -29.623
  296    HA   PRO  42           HA       PRO  42   4.377   6.082 -26.279
  297    HB2  PRO  42           HB2      PRO  42   6.738   7.319 -25.516
  298    HB3  PRO  42           HB3      PRO  42   6.646   5.772 -26.409
  299    HG2  PRO  42           HG2      PRO  42   7.102   8.552 -27.523
  300    HG3  PRO  42           HG3      PRO  42   7.975   7.038 -27.917
  301    HD2  PRO  42           HD2      PRO  42   5.993   8.011 -29.496
  302    HD3  PRO  42           HD3      PRO  42   6.186   6.255 -29.246
  303    H    ARG  43           H        ARG  43   3.668   7.068 -24.362
  304    HA   ARG  43           HA       ARG  43   2.407   9.619 -24.612
  305    HB2  ARG  43           HB2      ARG  43   2.793   7.827 -22.167
  306    HB3  ARG  43           HB3      ARG  43   1.741   9.241 -22.250
  307    HG2  ARG  43           HG2      ARG  43   0.501   8.133 -24.139
  308    HG3  ARG  43           HG3      ARG  43   1.376   6.639 -23.746
  309    HD2  ARG  43           HD2      ARG  43   0.501   6.669 -21.464
  310    HD3  ARG  43           HD3      ARG  43  -0.230   8.256 -21.715
  311    HE   ARG  43           HE       ARG  43  -1.278   5.666 -22.476
  312   HH11  ARG  43          HH11      ARG  43  -1.416   9.175 -23.434
  313   HH12  ARG  43          HH12      ARG  43  -2.945   8.911 -24.255
  314   HH21  ARG  43          HH21      ARG  43  -3.434   5.614 -23.409
  315   HH22  ARG  43          HH22      ARG  43  -3.963   7.029 -24.318
  316    H    VAL  44           H        VAL  44   5.561   9.649 -24.550
  317    HA   VAL  44           HA       VAL  44   6.316  10.747 -22.024
  318    HB   VAL  44           HB       VAL  44   8.339  11.520 -23.295
  319   HG11  VAL  44          HG11      VAL  44   8.236   9.370 -22.103
  320   HG12  VAL  44          HG12      VAL  44   7.603   8.574 -23.561
  321   HG13  VAL  44          HG13      VAL  44   9.242   9.256 -23.552
  322   HG21  VAL  44          HG21      VAL  44   7.133   9.998 -25.650
  323   HG22  VAL  44          HG22      VAL  44   7.373  11.754 -25.572
  324   HG23  VAL  44          HG23      VAL  44   8.768  10.671 -25.544
  325    H    GLY  45           H        GLY  45   6.305  12.752 -21.242
  326    HA2  GLY  45           HA2      GLY  45   6.153  15.056 -21.192
  327    HA3  GLY  45           HA3      GLY  45   5.703  15.098 -22.901
  328    H    GLN  46           H        GLN  46   3.577  12.796 -21.915
  329    HA   GLN  46           HA       GLN  46   1.419  14.744 -21.622
  330    HB2  GLN  46           HB2      GLN  46   1.373  11.697 -21.477
  331    HB3  GLN  46           HB3      GLN  46  -0.038  12.758 -21.495
  332    HG2  GLN  46           HG2      GLN  46   0.741  13.689 -23.694
  333    HG3  GLN  46           HG3      GLN  46   2.009  12.468 -23.742
  334   HE21  GLN  46          HE22      GLN  46  -0.076  12.844 -25.683
  335   HE22  GLN  46          HE21      GLN  46  -1.069  11.403 -25.723
  336    H    TRP  47           H        TRP  47  -0.075  14.727 -19.799
  337    HA   TRP  47           HA       TRP  47   1.290  14.209 -17.210
  338    HB2  TRP  47           HB2      TRP  47  -1.032  16.010 -17.959
  339    HB3  TRP  47           HB3      TRP  47  -0.497  15.695 -16.312
  340    HD1  TRP  47           HD1      TRP  47   0.652  17.435 -19.526
  341    HE1  TRP  47           HE1      TRP  47   2.374  19.229 -18.957
  342    HE3  TRP  47           HE3      TRP  47   1.296  16.353 -14.572
  343    HZ2  TRP  47           HZ2      TRP  47   3.813  20.146 -16.595
  344    HZ3  TRP  47           HZ3      TRP  47   2.872  17.676 -13.195
  345    HH2  TRP  47           HH2      TRP  47   4.128  19.576 -14.188
  346    H    VAL  48           H        VAL  48  -0.027  13.248 -15.525
  347    HA   VAL  48           HA       VAL  48  -2.429  11.765 -16.284
  348    HB   VAL  48           HB       VAL  48  -0.595  10.444 -17.252
  349   HG11  VAL  48          HG11      VAL  48   0.605  10.260 -14.472
  350   HG12  VAL  48          HG12      VAL  48   1.138   9.382 -15.923
  351   HG13  VAL  48          HG13      VAL  48   1.298  11.140 -15.846
  352   HG21  VAL  48          HG21      VAL  48  -0.977   8.293 -16.257
  353   HG22  VAL  48          HG22      VAL  48  -1.661   9.030 -14.794
  354   HG23  VAL  48          HG23      VAL  48  -2.490   9.190 -16.361
  355    H    LEU  49           H        LEU  49  -3.534  10.994 -14.436
  356    HA   LEU  49           HA       LEU  49  -2.712  12.208 -11.849
  357    HB2  LEU  49           HB2      LEU  49  -5.125  10.596 -12.743
  358    HB3  LEU  49           HB3      LEU  49  -4.877  11.140 -11.081
  359    HG   LEU  49           HG       LEU  49  -5.201  12.955 -13.510
  360   HD11  LEU  49          HD11      LEU  49  -7.146  12.278 -11.266
  361   HD12  LEU  49          HD12      LEU  49  -7.420  13.454 -12.572
  362   HD13  LEU  49          HD13      LEU  49  -7.258  11.733 -12.954
  363   HD21  LEU  49          HD21      LEU  49  -3.861  14.079 -11.793
  364   HD22  LEU  49          HD22      LEU  49  -5.484  14.766 -11.813
  365   HD23  LEU  49          HD23      LEU  49  -5.031  13.621 -10.530
  366    H    VAL  50           H        VAL  50  -1.604  11.059 -10.359
  367    HA   VAL  50           HA       VAL  50  -0.983   8.227 -10.982
  368    HB   VAL  50           HB       VAL  50   0.604  10.270  -9.361
  369   HG11  VAL  50          HG11      VAL  50   1.143   7.866  -8.937
  370   HG12  VAL  50          HG12      VAL  50   1.465   7.652 -10.664
  371   HG13  VAL  50          HG13      VAL  50   2.479   8.739  -9.693
  372   HG21  VAL  50          HG21      VAL  50   0.937   9.526 -12.295
  373   HG22  VAL  50          HG22      VAL  50   0.472  11.121 -11.660
  374   HG23  VAL  50          HG23      VAL  50   2.081  10.495 -11.334
  375    H    HIS  51           H        HIS  51  -2.267   6.935  -9.783
  376    HA   HIS  51           HA       HIS  51  -3.028   7.568  -7.011
  377    HB2  HIS  51           HB2      HIS  51  -4.505   6.363  -8.735
  378    HB3  HIS  51           HB3      HIS  51  -3.415   4.994  -8.594
  379    HD1  HIS  51           HD1      HIS  51  -4.995   3.298  -7.351
  380    HD2  HIS  51           HD2      HIS  51  -4.882   7.147  -5.637
  381    HE1  HIS  51           HE1      HIS  51  -6.276   3.150  -5.161
  382    H    VAL  52           H        VAL  52  -2.646   5.144  -5.713
  383    HA   VAL  52           HA       VAL  52  -0.078   5.415  -4.739
  384    HB   VAL  52           HB       VAL  52  -0.458   3.283  -3.559
  385   HG11  VAL  52          HG11      VAL  52  -2.454   3.968  -2.321
  386   HG12  VAL  52          HG12      VAL  52  -1.443   5.366  -2.687
  387   HG13  VAL  52          HG13      VAL  52  -2.928   5.077  -3.619
  388   HG21  VAL  52          HG21      VAL  52  -1.594   1.965  -5.312
  389   HG22  VAL  52          HG22      VAL  52  -2.549   2.029  -3.831
  390   HG23  VAL  52          HG23      VAL  52  -3.011   3.032  -5.213
  391    H    GLY  53           H        GLY  53  -0.985   3.433  -7.519
  392    HA2  GLY  53           HA2      GLY  53   1.793   3.364  -8.300
  393    HA3  GLY  53           HA3      GLY  53   1.191   1.757  -7.857
  394    H    PHE  54           H        PHE  54  -1.074   4.081  -9.338
  395    HA   PHE  54           HA       PHE  54  -0.941   2.629 -11.917
  396    HB2  PHE  54           HB2      PHE  54  -3.422   2.853 -10.158
  397    HB3  PHE  54           HB3      PHE  54  -3.405   2.302 -11.822
  398    HD1  PHE  54           HD2      PHE  54  -2.524   1.406  -8.333
  399    HD2  PHE  54           HD1      PHE  54  -2.608   0.075 -12.437
  400    HE1  PHE  54           HE2      PHE  54  -2.106  -0.921  -7.589
  401    HE2  PHE  54           HE1      PHE  54  -2.198  -2.251 -11.689
  402    HZ   PHE  54           HZ       PHE  54  -1.940  -2.757  -9.263
  403    H    ALA  55           H        ALA  55  -1.591   3.904 -13.618
  404    HA   ALA  55           HA       ALA  55  -2.068   6.752 -13.255
  405    HB1  ALA  55           HB1      ALA  55  -2.312   4.829 -15.625
  406    HB2  ALA  55           HB2      ALA  55  -2.571   6.575 -15.739
  407    HB3  ALA  55           HB3      ALA  55  -0.969   5.946 -15.282
  408    H    MET  56           H        MET  56  -4.091   7.627 -12.750
  409    HA   MET  56           HA       MET  56  -6.474   5.899 -12.750
  410    HB2  MET  56           HB2      MET  56  -6.454   8.927 -12.505
  411    HB3  MET  56           HB3      MET  56  -7.726   7.815 -12.051
  412    HG2  MET  56           HG2      MET  56  -6.340   6.934 -10.223
  413    HG3  MET  56           HG3      MET  56  -5.002   7.991 -10.709
  414    HE1  MET  56           HE1      MET  56  -4.723   9.041  -8.369
  415    HE2  MET  56           HE2      MET  56  -6.039   9.759  -7.410
  416    HE3  MET  56           HE3      MET  56  -6.019   8.009  -7.714
  417    H    SER  57           H        SER  57  -5.455   8.872 -14.504
  418    HA   SER  57           HA       SER  57  -6.564   8.010 -17.065
  419    HB2  SER  57           HB2      SER  57  -7.539  10.531 -15.626
  420    HB3  SER  57           HB3      SER  57  -7.994  10.008 -17.253
  421    HG   SER  57           HG       SER  57  -9.593   9.514 -15.696
  422    H    VAL  58           H        VAL  58  -5.549   9.248 -18.746
  423    HA   VAL  58           HA       VAL  58  -3.265  10.929 -18.014
  424    HB   VAL  58           HB       VAL  58  -3.162  11.203 -20.533
  425   HG11  VAL  58          HG11      VAL  58  -1.686   9.693 -19.310
  426   HG12  VAL  58          HG12      VAL  58  -2.913   8.407 -19.345
  427   HG13  VAL  58          HG13      VAL  58  -2.159   8.967 -20.849
  428   HG21  VAL  58          HG21      VAL  58  -5.102   8.847 -20.612
  429   HG22  VAL  58          HG22      VAL  58  -5.518  10.516 -21.075
  430   HG23  VAL  58          HG23      VAL  58  -4.285   9.625 -21.974
  431    H    ILE  59           H        ILE  59  -3.169  13.189 -18.576
  432    HA   ILE  59           HA       ILE  59  -5.715  14.576 -19.086
  433    HB   ILE  59           HB       ILE  59  -5.438  16.075 -17.201
  434   HG12  ILE  59          HG12      ILE  59  -3.086  14.340 -16.355
  435   HG13  ILE  59          HG13      ILE  59  -3.041  16.027 -16.885
  436   HG21  ILE  59          HG21      ILE  59  -6.829  14.000 -16.977
  437   HG22  ILE  59          HG22      ILE  59  -5.470  13.231 -16.125
  438   HG23  ILE  59          HG23      ILE  59  -6.267  14.665 -15.447
  439   HD11  ILE  59          HD11      ILE  59  -4.423  16.645 -14.882
  440   HD12  ILE  59          HD12      ILE  59  -4.243  14.970 -14.307
  441   HD13  ILE  59          HD13      ILE  59  -2.814  15.987 -14.506
  442    H    ASN  60           H        ASN  60  -5.184  17.025 -19.374
  443    HA   ASN  60           HA       ASN  60  -2.679  17.205 -20.969
  444    HB2  ASN  60           HB2      ASN  60  -3.645  18.715 -22.337
  445    HB3  ASN  60           HB3      ASN  60  -5.047  17.729 -21.980
  446   HD21  ASN  60          HD22      ASN  60  -4.615  20.711 -22.741
  447   HD22  ASN  60          HD21      ASN  60  -5.598  21.552 -21.575
  448    H    GLU  61           H        GLU  61  -1.834  19.577 -20.974
  449    HA   GLU  61           HA       GLU  61  -0.677  19.980 -18.448
  450    HB2  GLU  61           HB2      GLU  61  -0.888  22.093 -20.639
  451    HB3  GLU  61           HB3      GLU  61   0.328  21.954 -19.377
  452    HG2  GLU  61           HG2      GLU  61   1.549  21.109 -21.079
  453    HG3  GLU  61           HG3      GLU  61   0.816  19.600 -20.560
  454    H    ALA  62           H        ALA  62  -3.602  21.455 -19.845
  455    HA   ALA  62           HA       ALA  62  -3.731  23.652 -17.950
  456    HB1  ALA  62           HB1      ALA  62  -5.966  22.407 -19.615
  457    HB2  ALA  62           HB2      ALA  62  -5.992  23.979 -18.801
  458    HB3  ALA  62           HB3      ALA  62  -4.882  23.716 -20.158
  459    H    GLU  63           H        GLU  63  -5.392  20.444 -18.182
  460    HA   GLU  63           HA       GLU  63  -6.804  20.723 -15.708
  461    HB2  GLU  63           HB2      GLU  63  -5.936  18.322 -17.365
  462    HB3  GLU  63           HB3      GLU  63  -6.894  18.156 -15.895
  463    HG2  GLU  63           HG2      GLU  63  -7.753  19.778 -18.333
  464    HG3  GLU  63           HG3      GLU  63  -8.237  18.120 -18.003
  465    H    ALA  64           H        ALA  64  -3.557  19.393 -16.503
  466    HA   ALA  64           HA       ALA  64  -2.985  18.378 -13.910
  467    HB1  ALA  64           HB1      ALA  64  -1.643  17.854 -15.925
  468    HB2  ALA  64           HB2      ALA  64  -1.073  19.534 -15.996
  469    HB3  ALA  64           HB3      ALA  64  -0.635  18.507 -14.617
  470    H    ARG  65           H        ARG  65  -2.206  21.601 -15.368
  471    HA   ARG  65           HA       ARG  65  -1.014  22.604 -12.962
  472    HB2  ARG  65           HB2      ARG  65  -2.182  23.976 -15.410
  473    HB3  ARG  65           HB3      ARG  65  -1.447  24.873 -14.076
  474    HG2  ARG  65           HG2      ARG  65   0.685  23.769 -14.353
  475    HG3  ARG  65           HG3      ARG  65   0.045  22.665 -15.572
  476    HD2  ARG  65           HD2      ARG  65   0.188  25.693 -15.878
  477    HD3  ARG  65           HD3      ARG  65   1.382  24.548 -16.520
  478    HE   ARG  65           HE       ARG  65  -1.055  23.638 -17.467
  479   HH11  ARG  65          HH11      ARG  65   0.874  26.600 -17.815
  480   HH12  ARG  65          HH12      ARG  65   0.255  27.012 -19.368
  481   HH21  ARG  65          HH21      ARG  65  -1.932  24.222 -19.561
  482   HH22  ARG  65          HH22      ARG  65  -1.357  25.620 -20.379
  483    H    ASP  66           H        ASP  66  -4.416  22.779 -14.161
  484    HA   ASP  66           HA       ASP  66  -5.360  24.476 -12.081
  485    HB2  ASP  66           HB2      ASP  66  -6.685  23.986 -14.073
  486    HB3  ASP  66           HB3      ASP  66  -6.779  22.278 -13.633
  487    H    THR  67           H        THR  67  -5.069  20.887 -12.242
  488    HA   THR  67           HA       THR  67  -6.211  20.445  -9.653
  489    HB   THR  67           HB       THR  67  -4.266  18.701 -11.219
  490    HG1  THR  67           HG1      THR  67  -5.952  19.103 -12.533
  491   HG21  THR  67          HG21      THR  67  -4.629  17.900  -8.904
  492   HG22  THR  67          HG22      THR  67  -6.386  18.000  -9.130
  493   HG23  THR  67          HG23      THR  67  -5.429  16.827 -10.062
  494    H    LEU  68           H        LEU  68  -2.793  20.898 -10.758
  495    HA   LEU  68           HA       LEU  68  -1.633  20.495  -8.171
  496    HB2  LEU  68           HB2      LEU  68  -0.692  22.026 -10.622
  497    HB3  LEU  68           HB3      LEU  68   0.293  21.851  -9.175
  498    HG   LEU  68           HG       LEU  68  -0.756  19.474 -10.758
  499   HD11  LEU  68          HD11      LEU  68   0.744  20.837 -12.151
  500   HD12  LEU  68          HD12      LEU  68   1.989  20.776 -10.884
  501   HD13  LEU  68          HD13      LEU  68   1.478  19.291 -11.725
  502   HD21  LEU  68          HD21      LEU  68   0.972  18.203  -9.551
  503   HD22  LEU  68          HD22      LEU  68   1.409  19.658  -8.624
  504   HD23  LEU  68          HD23      LEU  68  -0.186  18.903  -8.430
  505    H    ASP  69           H        ASP  69  -2.990  23.413  -9.749
  506    HA   ASP  69           HA       ASP  69  -2.176  25.255  -7.718
  507    HB2  ASP  69           HB2      ASP  69  -2.897  26.029  -9.894
  508    HB3  ASP  69           HB3      ASP  69  -4.500  25.325  -9.668
  509    H    ALA  70           H        ALA  70  -5.191  23.305  -8.149
  510    HA   ALA  70           HA       ALA  70  -6.519  24.193  -5.801
  511    HB1  ALA  70           HB1      ALA  70  -6.621  21.450  -7.128
  512    HB2  ALA  70           HB2      ALA  70  -7.783  22.092  -5.956
  513    HB3  ALA  70           HB3      ALA  70  -7.622  22.856  -7.550
  514    H    LEU  71           H        LEU  71  -4.250  21.464  -6.297
  515    HA   LEU  71           HA       LEU  71  -4.231  20.521  -3.641
  516    HB2  LEU  71           HB2      LEU  71  -2.244  20.345  -5.925
  517    HB3  LEU  71           HB3      LEU  71  -1.934  19.544  -4.398
  518    HG   LEU  71           HG       LEU  71  -4.479  19.015  -5.982
  519   HD11  LEU  71          HD11      LEU  71  -3.349  16.970  -6.801
  520   HD12  LEU  71          HD12      LEU  71  -2.566  18.441  -7.396
  521   HD13  LEU  71          HD13      LEU  71  -1.822  17.525  -6.069
  522   HD21  LEU  71          HD21      LEU  71  -4.572  18.343  -3.606
  523   HD22  LEU  71          HD22      LEU  71  -4.521  16.930  -4.660
  524   HD23  LEU  71          HD23      LEU  71  -3.056  17.437  -3.792
  525    H    GLN  72           H        GLN  72  -2.961  23.542  -4.640
  526    HA   GLN  72           HA       GLN  72  -1.362  23.641  -2.136
  527    HB2  GLN  72           HB2      GLN  72   0.352  24.917  -3.162
  528    HB3  GLN  72           HB3      GLN  72   0.098  23.461  -4.115
  529    HG2  GLN  72           HG2      GLN  72  -1.362  24.903  -5.664
  530    HG3  GLN  72           HG3      GLN  72  -0.742  26.308  -4.805
  531   HE21  GLN  72          HE22      GLN  72   0.065  23.594  -6.920
  532   HE22  GLN  72          HE21      GLN  72   1.633  24.196  -7.450
  533    H    ASN  73           H        ASN  73  -4.248  24.514  -2.983
  534    HA   ASN  73           HA       ASN  73  -4.009  26.834  -1.223
  535    HB2  ASN  73           HB2      ASN  73  -4.921  28.497  -2.465
  536    HB3  ASN  73           HB3      ASN  73  -3.967  27.696  -3.702
  537   HD21  ASN  73          HD22      ASN  73  -5.192  26.180  -5.203
  538   HD22  ASN  73          HD21      ASN  73  -6.865  26.578  -5.539
  539    H    MET  74           H        MET  74  -5.964  24.192  -2.466
  540    HA   MET  74           HA       MET  74  -8.485  25.082  -1.711
  541    HB2  MET  74           HB2      MET  74  -7.833  23.038  -3.083
  542    HB3  MET  74           HB3      MET  74  -7.519  22.200  -1.565
  543    HG2  MET  74           HG2      MET  74  -9.714  21.623  -2.397
  544    HG3  MET  74           HG3      MET  74  -9.888  22.546  -0.915
  545    HE1  MET  74           HE1      MET  74  -9.233  23.923  -4.672
  546    HE2  MET  74           HE2      MET  74 -10.278  22.486  -4.807
  547    HE3  MET  74           HE3      MET  74 -10.924  24.100  -5.175
  548    H    PHE  75           H        PHE  75  -5.914  24.017   0.419
  549    HA   PHE  75           HA       PHE  75  -7.334  23.305   2.737
  550    HB2  PHE  75           HB2      PHE  75  -5.307  24.200   3.931
  551    HB3  PHE  75           HB3      PHE  75  -5.039  22.950   2.738
  552    HD1  PHE  75           HD2      PHE  75  -4.880  26.701   3.183
  553    HD2  PHE  75           HD1      PHE  75  -3.369  23.230   1.101
  554    HE1  PHE  75           HE2      PHE  75  -3.140  28.096   2.112
  555    HE2  PHE  75           HE1      PHE  75  -1.593  24.627   0.086
  556    HZ   PHE  75           HZ       PHE  75  -1.488  27.064   0.565
  557    H    ASP  76           H        ASP  76  -6.981  26.486   1.253
  558    HA   ASP  76           HA       ASP  76  -7.535  28.119   3.509
  559    HB2  ASP  76           HB2      ASP  76  -6.522  28.852   1.361
  560    HB3  ASP  76           HB3      ASP  76  -8.073  28.591   0.555
  561    H    VAL  77           H        VAL  77  -9.655  25.972   1.836
  562    HA   VAL  77           HA       VAL  77 -12.023  27.268   3.090
  563    HB   VAL  77           HB       VAL  77 -13.314  26.496   1.063
  564   HG11  VAL  77          HG11      VAL  77 -12.697  28.867   1.452
  565   HG12  VAL  77          HG12      VAL  77 -11.200  28.624   0.528
  566   HG13  VAL  77          HG13      VAL  77 -12.777  28.461  -0.270
  567   HG21  VAL  77          HG21      VAL  77 -11.629  24.937   0.095
  568   HG22  VAL  77          HG22      VAL  77 -12.206  26.149  -1.054
  569   HG23  VAL  77          HG23      VAL  77 -10.604  26.330  -0.318
  570    H    GLU  78           H        GLU  78 -10.125  24.921   3.809
  571    HA   GLU  78           HA       GLU  78 -12.198  22.798   4.078
  572    HB2  GLU  78           HB2      GLU  78  -9.401  22.701   2.912
  573    HB3  GLU  78           HB3      GLU  78 -10.112  21.254   3.581
  574    HG2  GLU  78           HG2      GLU  78 -11.466  22.890   1.390
  575    HG3  GLU  78           HG3      GLU  78 -10.350  21.563   1.085
  576    HA   PRO  79           HA       PRO  79 -11.175  22.256   8.242
  577    HB2  PRO  79           HB2      PRO  79 -10.073  19.503   7.669
  578    HB3  PRO  79           HB3      PRO  79 -11.165  20.024   8.995
  579    HG2  PRO  79           HG2      PRO  79 -12.211  18.846   6.807
  580    HG3  PRO  79           HG3      PRO  79 -12.992  20.323   7.467
  581    HD2  PRO  79           HD2      PRO  79 -11.116  20.068   5.118
  582    HD3  PRO  79           HD3      PRO  79 -12.617  21.031   5.267
  583    H    ASP  80           H        ASP  80  -8.431  21.712   6.111
  584    HA   ASP  80           HA       ASP  80  -6.405  21.393   8.077
  585    HB2  ASP  80           HB2      ASP  80  -6.079  20.885   5.697
  586    HB3  ASP  80           HB3      ASP  80  -6.221  22.599   5.301
  587    H    VAL  81           H        VAL  81  -7.916  24.351   6.735
  588    HA   VAL  81           HA       VAL  81  -7.079  25.807   9.063
  589    HB   VAL  81           HB       VAL  81  -4.977  26.003   7.829
  590   HG11  VAL  81          HG11      VAL  81  -4.740  27.251   5.762
  591   HG12  VAL  81          HG12      VAL  81  -5.768  25.838   5.508
  592   HG13  VAL  81          HG13      VAL  81  -6.498  27.456   5.632
  593   HG21  VAL  81          HG21      VAL  81  -5.703  27.847   9.300
  594   HG22  VAL  81          HG22      VAL  81  -4.658  28.386   7.975
  595   HG23  VAL  81          HG23      VAL  81  -6.407  28.680   7.896
  596    H    GLY  82           H        GLY  82  -8.629  25.880   5.813
  597    HA2  GLY  82           HA2      GLY  82  -9.957  28.308   5.946
  598    HA3  GLY  82           HA3      GLY  82 -10.569  26.841   5.161
  599    H    ALA  83           H        ALA  83 -10.961  25.196   7.458
  600    HA   ALA  83           HA       ALA  83 -13.509  26.136   8.330
  601    HB1  ALA  83           HB1      ALA  83 -13.533  24.162   9.767
  602    HB2  ALA  83           HB2      ALA  83 -12.885  23.746   8.175
  603    HB3  ALA  83           HB3      ALA  83 -11.781  23.956   9.569
  604    H    LEU  84           H        LEU  84 -10.350  26.853   9.628
  605    HA   LEU  84           HA       LEU  84 -11.437  27.843  12.221
  606    HB2  LEU  84           HB2      LEU  84  -9.316  26.662  12.331
  607    HB3  LEU  84           HB3      LEU  84  -8.645  27.624  11.021
  608    HG   LEU  84           HG       LEU  84  -8.678  29.654  12.432
  609   HD11  LEU  84          HD11      LEU  84  -9.055  29.431  14.879
  610   HD12  LEU  84          HD12      LEU  84 -10.532  29.142  13.961
  611   HD13  LEU  84          HD13      LEU  84  -9.619  27.763  14.634
  612   HD21  LEU  84          HD21      LEU  84  -6.679  28.225  12.325
  613   HD22  LEU  84          HD22      LEU  84  -6.845  28.980  13.917
  614   HD23  LEU  84          HD23      LEU  84  -7.273  27.267  13.699
  615    H    LEU  85           H        LEU  85  -9.932  28.906   9.142
  616    HA   LEU  85           HA       LEU  85  -9.761  31.653   9.710
  617    HB2  LEU  85           HB2      LEU  85  -8.881  30.059   7.726
  618    HB3  LEU  85           HB3      LEU  85 -10.310  30.645   6.915
  619    HG   LEU  85           HG       LEU  85  -8.447  31.929   6.214
  620   HD11  LEU  85          HD11      LEU  85  -9.780  33.785   8.214
  621   HD12  LEU  85          HD12      LEU  85  -9.018  34.196   6.668
  622   HD13  LEU  85          HD13      LEU  85 -10.527  33.270   6.685
  623   HD21  LEU  85          HD21      LEU  85  -7.795  32.567   9.123
  624   HD22  LEU  85          HD22      LEU  85  -6.924  31.419   8.086
  625   HD23  LEU  85          HD23      LEU  85  -6.927  33.141   7.687
  626    H    TYR  86           H        TYR  86 -12.427  29.741   8.312
  627    HA   TYR  86           HA       TYR  86 -14.210  32.130   8.310
  628    HB2  TYR  86           HB2      TYR  86 -14.092  29.794   6.362
  629    HB3  TYR  86           HB3      TYR  86 -15.243  31.121   6.305
  630    HD1  TYR  86           HD2      TYR  86 -14.274  33.553   6.131
  631    HD2  TYR  86           HD1      TYR  86 -12.098  29.975   5.076
  632    HE1  TYR  86           HE2      TYR  86 -12.784  34.894   4.684
  633    HE2  TYR  86           HE1      TYR  86 -10.600  31.309   3.630
  634    HH   TYR  86           HH       TYR  86 -10.959  34.869   3.234
  635    H    GLY  87           H        GLY  87 -13.952  30.410  10.613
  636    HA2  GLY  87           HA2      GLY  87 -16.742  29.764  10.977
  637    HA3  GLY  87           HA3      GLY  87 -15.712  28.321  10.942
  638    H    GLU  88           H        GLU  88 -16.902  28.571  13.257
  639    HA   GLU  88           HA       GLU  88 -15.506  30.122  15.234
  640    HB2  GLU  88           HB2      GLU  88 -17.808  29.226  15.536
  641    HB3  GLU  88           HB3      GLU  88 -17.186  27.578  15.444
  642    HG2  GLU  88           HG2      GLU  88 -17.639  28.232  17.756
  643    HG3  GLU  88           HG3      GLU  88 -15.931  27.896  17.533
  644    H    GLU  89           H        GLU  89 -13.954  29.271  16.722
  645    HA   GLU  89           HA       GLU  89 -11.879  27.910  15.315
  646    HB2  GLU  89           HB2      GLU  89 -10.496  28.247  17.225
  647    HB3  GLU  89           HB3      GLU  89 -11.458  29.695  16.950
  648    HG2  GLU  89           HG2      GLU  89 -13.011  28.975  18.792
  649    HG3  GLU  89           HG3      GLU  89 -12.000  27.557  19.066
  650    H    LYS  90           H        LYS  90 -10.613  26.034  16.068
  651    HA   LYS  90           HA       LYS  90 -12.214  23.798  17.127
  652    HB2  LYS  90           HB2      LYS  90 -10.988  23.940  14.327
  653    HB3  LYS  90           HB3      LYS  90 -11.624  22.475  15.082
  654    HG2  LYS  90           HG2      LYS  90 -13.883  23.422  15.152
  655    HG3  LYS  90           HG3      LYS  90 -13.280  24.963  14.531
  656    HD2  LYS  90           HD2      LYS  90 -12.611  23.880  12.405
  657    HD3  LYS  90           HD3      LYS  90 -13.261  22.347  13.008
  658    HE2  LYS  90           HE2      LYS  90 -14.939  23.360  11.594
  659    HE3  LYS  90           HE3      LYS  90 -15.504  23.402  13.263
  660    HZ1  LYS  90           HZ1      LYS  90 -15.917  25.498  12.177
  661    HZ2  LYS  90           HZ2      LYS  90 -14.794  25.767  13.342
  662    HZ3  LYS  90           HZ3      LYS  90 -14.340  25.711  11.785
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   4.112   4.862   2.414
    2    H2   MET   1           H2       MET   1   2.504   4.597   2.226
    3    H3   MET   1           H3       MET   1   3.563   3.873   1.221
    4    HA   MET   1           HA       MET   1   3.056   6.769   1.372
    5    HB2  MET   1           HB2      MET   1   4.877   5.184  -0.500
    6    HB3  MET   1           HB3      MET   1   4.395   6.861  -0.752
    7    HG2  MET   1           HG2      MET   1   5.477   7.530   1.351
    8    HG3  MET   1           HG3      MET   1   5.982   5.857   1.636
    9    HE1  MET   1           HE1      MET   1   8.473   6.633   1.985
   10    HE2  MET   1           HE2      MET   1   9.368   7.642   0.828
   11    HE3  MET   1           HE3      MET   1   7.980   8.320   1.707
   12    H    CYS   2           H        CYS   2   1.643   7.615  -0.199
   13    HA   CYS   2           HA       CYS   2   0.717   5.891  -2.372
   14    HB2  CYS   2           HB2      CYS   2  -1.702   6.502  -1.905
   15    HB3  CYS   2           HB3      CYS   2  -0.989   5.308  -0.821
   16    HG   CYS   2           HG       CYS   2  -2.632   6.842   0.481
   17    H    ILE   3           H        ILE   3  -0.782   7.311  -3.820
   18    HA   ILE   3           HA       ILE   3   0.291  10.069  -4.001
   19    HB   ILE   3           HB       ILE   3   0.192   8.060  -6.301
   20   HG12  ILE   3          HG12      ILE   3   2.672   9.048  -4.821
   21   HG13  ILE   3          HG13      ILE   3   1.989   7.428  -4.694
   22   HG21  ILE   3          HG21      ILE   3   1.317  10.897  -6.109
   23   HG22  ILE   3          HG22      ILE   3   1.539   9.833  -7.505
   24   HG23  ILE   3          HG23      ILE   3  -0.066  10.361  -7.098
   25   HD11  ILE   3          HD11      ILE   3   2.353   7.115  -7.166
   26   HD12  ILE   3          HD12      ILE   3   3.322   8.612  -7.136
   27   HD13  ILE   3          HD13      ILE   3   3.807   7.224  -6.158
   28    H    GLY   4           H        GLY   4  -1.099  11.405  -5.399
   29    HA2  GLY   4           HA2      GLY   4  -3.654  10.654  -6.411
   30    HA3  GLY   4           HA3      GLY   4  -3.828  11.299  -4.770
   31    H    VAL   5           H        VAL   5  -1.639  12.082  -7.555
   32    HA   VAL   5           HA       VAL   5  -2.359  14.927  -7.421
   33    HB   VAL   5           HB       VAL   5   0.497  13.950  -6.953
   34   HG11  VAL   5          HG11      VAL   5  -0.659  16.771  -6.829
   35   HG12  VAL   5          HG12      VAL   5   1.006  16.312  -6.423
   36   HG13  VAL   5          HG13      VAL   5   0.441  16.140  -8.077
   37   HG21  VAL   5          HG21      VAL   5  -0.693  13.529  -4.879
   38   HG22  VAL   5          HG22      VAL   5   0.316  14.946  -4.669
   39   HG23  VAL   5          HG23      VAL   5  -1.432  15.146  -4.922
   40    HA   PRO   6           HA       PRO   6  -1.399  14.359 -11.811
   41    HB2  PRO   6           HB2      PRO   6  -0.429  17.202 -11.606
   42    HB3  PRO   6           HB3      PRO   6  -1.443  16.457 -12.870
   43    HG2  PRO   6           HG2      PRO   6  -2.598  17.971 -10.945
   44    HG3  PRO   6           HG3      PRO   6  -3.351  16.422 -11.433
   45    HD2  PRO   6           HD2      PRO   6  -1.616  16.997  -9.024
   46    HD3  PRO   6           HD3      PRO   6  -3.128  16.046  -9.126
   47    H    GLY   7           H        GLY   7   0.442  14.271 -13.250
   48    HA2  GLY   7           HA2      GLY   7   3.028  15.323 -12.508
   49    HA3  GLY   7           HA3      GLY   7   2.946  13.552 -12.426
   50    H    GLN   8           H        GLN   8   4.663  14.335 -14.244
   51    HA   GLN   8           HA       GLN   8   3.252  14.219 -16.876
   52    HB2  GLN   8           HB2      GLN   8   4.497  16.384 -16.375
   53    HB3  GLN   8           HB3      GLN   8   5.992  15.433 -16.389
   54    HG2  GLN   8           HG2      GLN   8   5.477  14.721 -18.736
   55    HG3  GLN   8           HG3      GLN   8   3.967  15.634 -18.665
   56   HE21  GLN   8          HE22      GLN   8   4.812  16.676 -20.637
   57   HE22  GLN   8          HE21      GLN   8   5.930  18.021 -20.474
   58    H    ILE   9           H        ILE   9   3.888  12.586 -18.238
   59    HA   ILE   9           HA       ILE   9   5.263  10.353 -17.001
   60    HB   ILE   9           HB       ILE   9   4.118  10.589 -19.809
   61   HG12  ILE   9          HG12      ILE   9   2.772   9.609 -17.248
   62   HG13  ILE   9          HG13      ILE   9   2.361  11.082 -18.109
   63   HG21  ILE   9          HG21      ILE   9   4.073   8.137 -19.736
   64   HG22  ILE   9          HG22      ILE   9   5.707   8.665 -19.369
   65   HG23  ILE   9          HG23      ILE   9   4.644   8.133 -18.055
   66   HD11  ILE   9          HD11      ILE   9   1.663   9.742 -20.068
   67   HD12  ILE   9          HD12      ILE   9   1.933   8.253 -19.124
   68   HD13  ILE   9          HD13      ILE   9   0.715   9.420 -18.611
   69    H    ARG  10           H        ARG  10   7.245  11.645 -16.710
   70    HA   ARG  10           HA       ARG  10   8.761  12.667 -18.828
   71    HB2  ARG  10           HB2      ARG  10   9.054  13.349 -16.506
   72    HB3  ARG  10           HB3      ARG  10   9.550  11.727 -16.036
   73    HG2  ARG  10           HG2      ARG  10  11.460  13.250 -16.132
   74    HG3  ARG  10           HG3      ARG  10  11.639  11.941 -17.292
   75    HD2  ARG  10           HD2      ARG  10  10.775  13.553 -19.095
   76    HD3  ARG  10           HD3      ARG  10  10.811  14.819 -17.871
   77    HE   ARG  10           HE       ARG  10  13.107  14.895 -17.978
   78   HH11  ARG  10          HH11      ARG  10  12.016  12.022 -19.808
   79   HH12  ARG  10          HH12      ARG  10  13.544  11.789 -20.580
   80   HH21  ARG  10          HH21      ARG  10  15.131  14.532 -18.989
   81   HH22  ARG  10          HH22      ARG  10  15.350  13.226 -20.087
   82    H    THR  11           H        THR  11   8.678   9.305 -17.637
   83    HA   THR  11           HA       THR  11  10.236   8.515 -19.986
   84    HB   THR  11           HB       THR  11  11.056   7.411 -17.289
   85    HG1  THR  11           HG1      THR  11  12.233   9.650 -18.554
   86   HG21  THR  11          HG21      THR  11  13.216   6.978 -18.444
   87   HG22  THR  11          HG22      THR  11  11.859   6.131 -19.188
   88   HG23  THR  11          HG23      THR  11  12.512   7.599 -19.953
   89    H    ILE  12           H        ILE  12   9.941   6.181 -20.386
   90    HA   ILE  12           HA       ILE  12   7.761   4.851 -18.896
   91    HB   ILE  12           HB       ILE  12   7.924   5.192 -21.923
   92   HG12  ILE  12          HG12      ILE  12   5.879   6.109 -19.856
   93   HG13  ILE  12          HG13      ILE  12   6.935   7.133 -20.833
   94   HG21  ILE  12          HG21      ILE  12   7.265   2.878 -21.368
   95   HG22  ILE  12          HG22      ILE  12   5.985   3.492 -20.289
   96   HG23  ILE  12          HG23      ILE  12   5.918   3.745 -22.048
   97   HD11  ILE  12          HD11      ILE  12   5.739   6.323 -22.889
   98   HD12  ILE  12          HD12      ILE  12   4.566   5.506 -21.819
   99   HD13  ILE  12          HD13      ILE  12   4.747   7.254 -21.752
  100    H    ASP  13           H        ASP  13   8.155   2.638 -18.695
  101    HA   ASP  13           HA       ASP  13  10.718   1.588 -19.835
  102    HB2  ASP  13           HB2      ASP  13  10.672   1.617 -17.392
  103    HB3  ASP  13           HB3      ASP  13   9.125   0.767 -17.381
  104    H    GLY  14           H        GLY  14   7.226   1.165 -19.545
  105    HA2  GLY  14           HA2      GLY  14   6.781  -0.167 -21.924
  106    HA3  GLY  14           HA3      GLY  14   7.010  -1.451 -20.712
  107    H    ASN  15           H        ASN  15   5.078  -2.084 -19.875
  108    HA   ASN  15           HA       ASN  15   2.733  -0.407 -19.671
  109    HB2  ASN  15           HB2      ASN  15   2.695  -2.898 -19.761
  110    HB3  ASN  15           HB3      ASN  15   3.448  -2.956 -18.166
  111   HD21  ASN  15          HD22      ASN  15   2.107  -2.654 -16.322
  112   HD22  ASN  15          HD21      ASN  15   0.367  -2.421 -16.458
  113    H    GLN  16           H        GLN  16   5.655  -0.482 -17.852
  114    HA   GLN  16           HA       GLN  16   4.391   1.011 -15.606
  115    HB2  GLN  16           HB2      GLN  16   7.229  -0.011 -15.555
  116    HB3  GLN  16           HB3      GLN  16   6.180   0.442 -14.221
  117    HG2  GLN  16           HG2      GLN  16   6.221  -2.120 -15.834
  118    HG3  GLN  16           HG3      GLN  16   6.450  -1.912 -14.104
  119   HE21  GLN  16          HE22      GLN  16   4.286  -0.765 -13.029
  120   HE22  GLN  16          HE21      GLN  16   2.785  -1.534 -13.568
  121    H    ALA  17           H        ALA  17   5.475   3.010 -15.016
  122    HA   ALA  17           HA       ALA  17   7.349   4.184 -16.956
  123    HB1  ALA  17           HB1      ALA  17   5.830   6.139 -17.314
  124    HB2  ALA  17           HB2      ALA  17   5.145   4.634 -17.946
  125    HB3  ALA  17           HB3      ALA  17   4.558   5.305 -16.401
  126    H    LYS  18           H        LYS  18   7.872   6.498 -16.218
  127    HA   LYS  18           HA       LYS  18   8.141   6.485 -13.237
  128    HB2  LYS  18           HB2      LYS  18  10.307   7.089 -15.277
  129    HB3  LYS  18           HB3      LYS  18  10.454   7.237 -13.521
  130    HG2  LYS  18           HG2      LYS  18   9.962   4.795 -13.294
  131    HG3  LYS  18           HG3      LYS  18   9.922   4.656 -15.063
  132    HD2  LYS  18           HD2      LYS  18  12.278   5.538 -15.128
  133    HD3  LYS  18           HD3      LYS  18  12.325   5.451 -13.364
  134    HE2  LYS  18           HE2      LYS  18  11.817   3.108 -15.268
  135    HE3  LYS  18           HE3      LYS  18  13.364   3.485 -14.509
  136    HZ1  LYS  18           HZ1      LYS  18  12.272   1.782 -13.279
  137    HZ2  LYS  18           HZ2      LYS  18  12.290   3.109 -12.340
  138    HZ3  LYS  18           HZ3      LYS  18  10.895   2.630 -13.083
  139    H    VAL  19           H        VAL  19   6.304   7.819 -13.261
  140    HA   VAL  19           HA       VAL  19   6.181  10.217 -14.904
  141    HB   VAL  19           HB       VAL  19   4.434   9.197 -12.609
  142   HG11  VAL  19          HG11      VAL  19   4.138  11.642 -13.033
  143   HG12  VAL  19          HG12      VAL  19   3.774  11.279 -14.736
  144   HG13  VAL  19          HG13      VAL  19   2.705  10.704 -13.458
  145   HG21  VAL  19          HG21      VAL  19   2.890   8.467 -14.434
  146   HG22  VAL  19          HG22      VAL  19   4.118   8.927 -15.632
  147   HG23  VAL  19          HG23      VAL  19   4.429   7.608 -14.507
  148    H    ASP  20           H        ASP  20   6.873  12.244 -14.275
  149    HA   ASP  20           HA       ASP  20   8.190  12.634 -11.656
  150    HB2  ASP  20           HB2      ASP  20   9.268  13.761 -13.475
  151    HB3  ASP  20           HB3      ASP  20   7.734  14.412 -14.068
  152    H    VAL  21           H        VAL  21   6.773  12.723 -10.008
  153    HA   VAL  21           HA       VAL  21   4.093  13.899 -10.380
  154    HB   VAL  21           HB       VAL  21   5.287  12.633  -7.883
  155   HG11  VAL  21          HG11      VAL  21   2.376  13.091  -8.724
  156   HG12  VAL  21          HG12      VAL  21   2.937  12.341  -7.213
  157   HG13  VAL  21          HG13      VAL  21   3.238  14.053  -7.510
  158   HG21  VAL  21          HG21      VAL  21   3.939  10.617  -8.545
  159   HG22  VAL  21          HG22      VAL  21   3.618  11.377 -10.116
  160   HG23  VAL  21          HG23      VAL  21   5.273  10.933  -9.651
  161    H    CYS  22           H        CYS  22   5.586  15.751 -11.063
  162    HA   CYS  22           HA       CYS  22   6.557  17.759 -10.796
  163    HB2  CYS  22           HB2      CYS  22   4.243  18.040  -8.844
  164    HB3  CYS  22           HB3      CYS  22   5.067  19.361  -9.692
  165    HG   CYS  22           HG       CYS  22   2.731  18.882 -10.795
  166    H    GLY  23           H        GLY  23   8.253  16.171  -9.478
  167    HA2  GLY  23           HA2      GLY  23   9.646  17.917  -7.833
  168    HA3  GLY  23           HA3      GLY  23   8.707  16.910  -6.716
  169    H    ILE  24           H        ILE  24   8.768  14.444  -8.234
  170    HA   ILE  24           HA       ILE  24  11.502  13.812  -8.868
  171    HB   ILE  24           HB       ILE  24  11.431  13.689  -6.340
  172   HG12  ILE  24          HG12      ILE  24  11.997  11.030  -7.704
  173   HG13  ILE  24          HG13      ILE  24  13.054  12.446  -7.756
  174   HG21  ILE  24          HG21      ILE  24   9.076  12.823  -6.146
  175   HG22  ILE  24          HG22      ILE  24   9.661  11.248  -6.727
  176   HG23  ILE  24          HG23      ILE  24  10.253  11.921  -5.192
  177   HD11  ILE  24          HD11      ILE  24  13.237  12.363  -5.259
  178   HD12  ILE  24          HD12      ILE  24  12.293  10.852  -5.274
  179   HD13  ILE  24          HD13      ILE  24  13.869  10.920  -6.076
  180    H    GLN  25           H        GLN  25  11.602  11.716  -9.921
  181    HA   GLN  25           HA       GLN  25   9.122  10.900 -11.213
  182    HB2  GLN  25           HB2      GLN  25  11.949   9.797 -11.335
  183    HB3  GLN  25           HB3      GLN  25  10.563   9.103 -12.191
  184    HG2  GLN  25           HG2      GLN  25  10.160  11.303 -13.310
  185    HG3  GLN  25           HG3      GLN  25  11.608  11.947 -12.540
  186   HE21  GLN  25          HE22      GLN  25  10.371   9.706 -15.009
  187   HE22  GLN  25          HE21      GLN  25  11.880   9.555 -15.886
  188    H    ARG  26           H        ARG  26   7.826   9.270 -10.669
  189    HA   ARG  26           HA       ARG  26   8.584   7.439  -8.421
  190    HB2  ARG  26           HB2      ARG  26   5.836   8.550  -9.170
  191    HB3  ARG  26           HB3      ARG  26   6.139   7.359  -7.916
  192    HG2  ARG  26           HG2      ARG  26   7.163  10.237  -7.905
  193    HG3  ARG  26           HG3      ARG  26   5.749   9.662  -7.036
  194    HD2  ARG  26           HD2      ARG  26   8.594   8.685  -6.538
  195    HD3  ARG  26           HD3      ARG  26   7.750   9.932  -5.606
  196    HE   ARG  26           HE       ARG  26   6.167   7.551  -5.693
  197   HH11  ARG  26          HH21      ARG  26   9.046   8.895  -4.105
  198   HH12  ARG  26          HH22      ARG  26   8.881   7.941  -2.680
  199   HH21  ARG  26          HH11      ARG  26   5.979   6.234  -3.806
  200   HH22  ARG  26          HH12      ARG  26   7.086   6.429  -2.496
  201    H    ASP  27           H        ASP  27   8.543   5.318  -9.035
  202    HA   ASP  27           HA       ASP  27   7.870   4.624 -11.791
  203    HB2  ASP  27           HB2      ASP  27   9.777   3.604 -10.560
  204    HB3  ASP  27           HB3      ASP  27   8.638   2.829  -9.457
  205    H    VAL  28           H        VAL  28   5.832   4.126 -12.424
  206    HA   VAL  28           HA       VAL  28   3.822   3.085 -10.527
  207    HB   VAL  28           HB       VAL  28   2.227   4.851 -11.265
  208   HG11  VAL  28          HG11      VAL  28   2.967   6.570  -9.756
  209   HG12  VAL  28          HG12      VAL  28   3.441   5.002  -9.089
  210   HG13  VAL  28          HG13      VAL  28   4.649   6.044  -9.870
  211   HG21  VAL  28          HG21      VAL  28   4.647   6.310 -12.386
  212   HG22  VAL  28          HG22      VAL  28   3.332   5.594 -13.343
  213   HG23  VAL  28          HG23      VAL  28   2.992   6.936 -12.240
  214    H    ASP  29           H        ASP  29   1.713   2.738 -11.811
  215    HA   ASP  29           HA       ASP  29   2.481   1.059 -14.143
  216    HB2  ASP  29           HB2      ASP  29   1.692   0.046 -12.025
  217    HB3  ASP  29           HB3      ASP  29   0.202   0.975 -12.139
  218    H    LEU  30           H        LEU  30   1.302   1.098 -16.083
  219    HA   LEU  30           HA       LEU  30  -0.594   3.376 -16.427
  220    HB2  LEU  30           HB2      LEU  30   1.251   2.057 -18.460
  221    HB3  LEU  30           HB3      LEU  30   0.123   3.353 -18.793
  222    HG   LEU  30           HG       LEU  30   2.638   3.564 -17.117
  223   HD11  LEU  30          HD11      LEU  30   3.207   5.213 -18.952
  224   HD12  LEU  30          HD12      LEU  30   3.021   3.545 -19.524
  225   HD13  LEU  30          HD13      LEU  30   1.727   4.736 -19.791
  226   HD21  LEU  30          HD21      LEU  30   2.098   6.003 -16.972
  227   HD22  LEU  30          HD22      LEU  30   0.486   5.667 -17.641
  228   HD23  LEU  30          HD23      LEU  30   0.971   4.999 -16.061
  229    H    THR  31           H        THR  31  -1.050   0.185 -15.886
  230    HA   THR  31           HA       THR  31  -2.078  -0.896 -18.239
  231    HB   THR  31           HB       THR  31  -3.227  -1.434 -15.473
  232    HG1  THR  31           HG1      THR  31  -1.116  -1.518 -15.169
  233   HG21  THR  31          HG21      THR  31  -4.331  -2.695 -17.279
  234   HG22  THR  31          HG22      THR  31  -2.755  -3.243 -17.890
  235   HG23  THR  31          HG23      THR  31  -3.341  -3.781 -16.298
  236    H    LEU  32           H        LEU  32  -3.680   1.363 -16.017
  237    HA   LEU  32           HA       LEU  32  -6.332   0.964 -17.113
  238    HB2  LEU  32           HB2      LEU  32  -5.189   3.167 -15.362
  239    HB3  LEU  32           HB3      LEU  32  -6.900   2.947 -15.704
  240    HG   LEU  32           HG       LEU  32  -5.139   0.958 -14.203
  241   HD11  LEU  32          HD11      LEU  32  -7.316   2.840 -13.203
  242   HD12  LEU  32          HD12      LEU  32  -6.444   1.631 -12.229
  243   HD13  LEU  32          HD13      LEU  32  -5.568   3.000 -12.926
  244   HD21  LEU  32          HD21      LEU  32  -8.138   0.909 -14.767
  245   HD22  LEU  32          HD22      LEU  32  -6.926  -0.252 -15.358
  246   HD23  LEU  32          HD23      LEU  32  -7.290  -0.168 -13.635
  247    H    VAL  33           H        VAL  33  -3.641   2.662 -18.398
  248    HA   VAL  33           HA       VAL  33  -5.454   4.327 -20.086
  249    HB   VAL  33           HB       VAL  33  -3.837   6.143 -20.007
  250   HG11  VAL  33          HG11      VAL  33  -4.693   5.359 -17.184
  251   HG12  VAL  33          HG12      VAL  33  -4.318   6.986 -17.771
  252   HG13  VAL  33          HG13      VAL  33  -5.734   6.129 -18.400
  253   HG21  VAL  33          HG21      VAL  33  -2.362   4.579 -17.845
  254   HG22  VAL  33          HG22      VAL  33  -1.758   4.905 -19.481
  255   HG23  VAL  33          HG23      VAL  33  -2.026   6.244 -18.363
  256    H    GLY  34           H        GLY  34  -2.764   2.123 -19.978
  257    HA2  GLY  34           HA2      GLY  34  -1.941   0.913 -21.768
  258    HA3  GLY  34           HA3      GLY  34  -2.611   2.075 -22.922
  259    H    SER  35           H        SER  35   0.180   0.970 -22.538
  260    HA   SER  35           HA       SER  35   1.959   2.958 -21.654
  261    HB2  SER  35           HB2      SER  35   2.478   1.038 -23.933
  262    HB3  SER  35           HB3      SER  35   3.595   1.576 -22.664
  263    HG   SER  35           HG       SER  35   2.765  -0.596 -22.409
  264    H    CYS  36           H        CYS  36   0.008   2.817 -24.520
  265    HA   CYS  36           HA       CYS  36   1.511   5.020 -25.821
  266    HB2  CYS  36           HB2      CYS  36   0.206   2.609 -27.160
  267    HB3  CYS  36           HB3      CYS  36   0.920   3.992 -28.001
  268    HG   CYS  36           HG       CYS  36   2.525   1.930 -28.176
  269    H    ASP  37           H        ASP  37   0.138   6.054 -27.474
  270    HA   ASP  37           HA       ASP  37  -2.479   6.813 -26.271
  271    HB2  ASP  37           HB2      ASP  37  -0.598   8.424 -26.020
  272    HB3  ASP  37           HB3      ASP  37  -0.308   8.341 -27.754
  273    H    GLU  38           H        GLU  38  -4.110   7.538 -27.783
  274    HA   GLU  38           HA       GLU  38  -4.554   5.777 -29.882
  275    HB2  GLU  38           HB2      GLU  38  -6.223   7.044 -28.533
  276    HB3  GLU  38           HB3      GLU  38  -5.810   8.516 -29.421
  277    HG2  GLU  38           HG2      GLU  38  -6.621   7.506 -31.516
  278    HG3  GLU  38           HG3      GLU  38  -6.890   5.963 -30.698
  279    H    ASN  39           H        ASN  39  -2.848   8.865 -29.991
  280    HA   ASN  39           HA       ASN  39  -2.947   9.388 -32.790
  281    HB2  ASN  39           HB2      ASN  39  -2.160  11.013 -31.134
  282    HB3  ASN  39           HB3      ASN  39  -0.851   9.928 -30.674
  283   HD21  ASN  39          HD22      ASN  39  -2.076  11.915 -33.385
  284   HD22  ASN  39          HD21      ASN  39  -0.516  12.136 -34.136
  285    H    GLY  40           H        GLY  40  -1.224   6.868 -31.016
  286    HA2  GLY  40           HA2      GLY  40  -0.117   5.056 -32.011
  287    HA3  GLY  40           HA3      GLY  40   0.127   5.969 -33.507
  288    H    GLN  41           H        GLN  41   0.854   6.623 -30.025
  289    HA   GLN  41           HA       GLN  41   3.736   6.869 -30.553
  290    HB2  GLN  41           HB2      GLN  41   3.824   9.138 -29.608
  291    HB3  GLN  41           HB3      GLN  41   2.795   9.123 -31.043
  292    HG2  GLN  41           HG2      GLN  41   0.790   8.987 -29.548
  293    HG3  GLN  41           HG3      GLN  41   1.841   9.134 -28.140
  294   HE21  GLN  41          HE22      GLN  41  -0.367  10.906 -28.729
  295   HE22  GLN  41          HE21      GLN  41   0.348  12.485 -28.982
  296    HA   PRO  42           HA       PRO  42   3.577   5.375 -26.259
  297    HB2  PRO  42           HB2      PRO  42   5.961   6.290 -25.238
  298    HB3  PRO  42           HB3      PRO  42   5.827   4.890 -26.344
  299    HG2  PRO  42           HG2      PRO  42   6.548   7.750 -27.027
  300    HG3  PRO  42           HG3      PRO  42   7.343   6.243 -27.577
  301    HD2  PRO  42           HD2      PRO  42   5.515   7.597 -29.097
  302    HD3  PRO  42           HD3      PRO  42   5.634   5.813 -29.138
  303    H    ARG  43           H        ARG  43   3.034   6.335 -24.153
  304    HA   ARG  43           HA       ARG  43   1.901   8.958 -24.383
  305    HB2  ARG  43           HB2      ARG  43   2.222   7.141 -21.945
  306    HB3  ARG  43           HB3      ARG  43   1.304   8.647 -21.985
  307    HG2  ARG  43           HG2      ARG  43   0.037   7.609 -23.996
  308    HG3  ARG  43           HG3      ARG  43   0.654   6.070 -23.389
  309    HD2  ARG  43           HD2      ARG  43  -0.370   6.477 -21.200
  310    HD3  ARG  43           HD3      ARG  43  -0.883   8.094 -21.694
  311    HE   ARG  43           HE       ARG  43  -2.117   5.540 -22.338
  312   HH11  ARG  43          HH11      ARG  43  -1.779   8.898 -23.493
  313   HH12  ARG  43          HH12      ARG  43  -3.108   8.807 -24.588
  314   HH21  ARG  43          HH21      ARG  43  -4.062   5.534 -23.422
  315   HH22  ARG  43          HH22      ARG  43  -4.615   6.891 -24.361
  316    H    VAL  44           H        VAL  44   5.016   8.779 -24.425
  317    HA   VAL  44           HA       VAL  44   5.907   9.831 -21.907
  318    HB   VAL  44           HB       VAL  44   7.294   8.507 -23.464
  319   HG11  VAL  44          HG11      VAL  44   8.365   9.449 -25.405
  320   HG12  VAL  44          HG12      VAL  44   6.612   9.605 -25.617
  321   HG13  VAL  44          HG13      VAL  44   7.575  11.018 -25.157
  322   HG21  VAL  44          HG21      VAL  44   9.378   9.713 -23.094
  323   HG22  VAL  44          HG22      VAL  44   8.489  11.216 -22.775
  324   HG23  VAL  44          HG23      VAL  44   8.326   9.830 -21.675
  325    H    GLY  45           H        GLY  45   6.211  11.917 -21.248
  326    HA2  GLY  45           HA2      GLY  45   6.221  14.209 -21.279
  327    HA3  GLY  45           HA3      GLY  45   5.957  14.199 -23.026
  328    H    GLN  46           H        GLN  46   3.433  12.286 -22.110
  329    HA   GLN  46           HA       GLN  46   1.497  14.463 -22.072
  330    HB2  GLN  46           HB2      GLN  46   1.145  11.490 -21.480
  331    HB3  GLN  46           HB3      GLN  46  -0.153  12.668 -21.673
  332    HG2  GLN  46           HG2      GLN  46   0.662  13.144 -23.990
  333    HG3  GLN  46           HG3      GLN  46   1.819  11.824 -23.842
  334   HE21  GLN  46          HE22      GLN  46  -0.500  12.164 -25.708
  335   HE22  GLN  46          HE21      GLN  46  -1.573  10.802 -25.433
  336    H    TRP  47           H        TRP  47  -0.109  14.629 -20.213
  337    HA   TRP  47           HA       TRP  47   1.287  14.366 -17.593
  338    HB2  TRP  47           HB2      TRP  47  -0.882  16.293 -18.469
  339    HB3  TRP  47           HB3      TRP  47  -0.329  16.074 -16.816
  340    HD1  TRP  47           HD1      TRP  47   1.122  17.156 -20.226
  341    HE1  TRP  47           HE1      TRP  47   2.952  18.894 -19.854
  342    HE3  TRP  47           HE3      TRP  47   1.277  17.053 -15.114
  343    HZ2  TRP  47           HZ2      TRP  47   4.311  20.123 -17.600
  344    HZ3  TRP  47           HZ3      TRP  47   2.853  18.514 -13.882
  345    HH2  TRP  47           HH2      TRP  47   4.370  20.051 -15.107
  346    H    VAL  48           H        VAL  48  -0.028  13.643 -15.812
  347    HA   VAL  48           HA       VAL  48  -2.473  12.150 -16.488
  348    HB   VAL  48           HB       VAL  48  -0.585  10.769 -17.256
  349   HG11  VAL  48          HG11      VAL  48   0.414  10.787 -14.385
  350   HG12  VAL  48          HG12      VAL  48   1.025   9.760 -15.688
  351   HG13  VAL  48          HG13      VAL  48   1.229  11.515 -15.782
  352   HG21  VAL  48          HG21      VAL  48  -1.083   8.707 -16.132
  353   HG22  VAL  48          HG22      VAL  48  -1.870   9.565 -14.787
  354   HG23  VAL  48          HG23      VAL  48  -2.563   9.617 -16.429
  355    H    LEU  49           H        LEU  49  -3.716  11.713 -14.673
  356    HA   LEU  49           HA       LEU  49  -2.907  12.928 -12.105
  357    HB2  LEU  49           HB2      LEU  49  -5.189  13.243 -13.139
  358    HB3  LEU  49           HB3      LEU  49  -5.467  11.519 -13.005
  359    HG   LEU  49           HG       LEU  49  -6.595  12.798 -11.297
  360   HD11  LEU  49          HD11      LEU  49  -5.702  10.474 -10.772
  361   HD12  LEU  49          HD12      LEU  49  -4.436  11.270  -9.820
  362   HD13  LEU  49          HD13      LEU  49  -6.135  11.490  -9.385
  363   HD21  LEU  49          HD21      LEU  49  -3.882  13.620 -10.186
  364   HD22  LEU  49          HD22      LEU  49  -4.989  14.678 -11.095
  365   HD23  LEU  49          HD23      LEU  49  -5.476  14.022  -9.524
  366    H    VAL  50           H        VAL  50  -1.612  11.591 -10.831
  367    HA   VAL  50           HA       VAL  50  -1.746   8.652 -11.251
  368    HB   VAL  50           HB       VAL  50   0.183  10.336  -9.592
  369   HG11  VAL  50          HG11      VAL  50   1.602   8.341  -9.622
  370   HG12  VAL  50          HG12      VAL  50   0.050   7.949  -8.887
  371   HG13  VAL  50          HG13      VAL  50   0.382   7.442 -10.559
  372   HG21  VAL  50          HG21      VAL  50   0.532   9.225 -12.408
  373   HG22  VAL  50          HG22      VAL  50   0.501  10.942 -11.935
  374   HG23  VAL  50          HG23      VAL  50   1.830   9.911 -11.404
  375    H    HIS  51           H        HIS  51  -2.573   7.330  -9.637
  376    HA   HIS  51           HA       HIS  51  -3.194   8.485  -7.003
  377    HB2  HIS  51           HB2      HIS  51  -5.413   7.670  -6.933
  378    HB3  HIS  51           HB3      HIS  51  -5.270   8.693  -8.350
  379    HD1  HIS  51           HD1      HIS  51  -3.970   5.871  -9.973
  380    HD2  HIS  51           HD2      HIS  51  -7.643   6.619  -8.058
  381    HE1  HIS  51           HE1      HIS  51  -5.646   4.237 -10.969
  382    H    VAL  52           H        VAL  52  -2.977   6.994  -5.361
  383    HA   VAL  52           HA       VAL  52  -2.038   5.322  -4.236
  384    HB   VAL  52           HB       VAL  52  -3.127   3.479  -6.392
  385   HG11  VAL  52          HG11      VAL  52  -2.429   2.965  -3.465
  386   HG12  VAL  52          HG12      VAL  52  -3.181   1.805  -4.581
  387   HG13  VAL  52          HG13      VAL  52  -1.530   2.354  -4.871
  388   HG21  VAL  52          HG21      VAL  52  -4.450   4.552  -3.861
  389   HG22  VAL  52          HG22      VAL  52  -4.952   4.869  -5.538
  390   HG23  VAL  52          HG23      VAL  52  -5.088   3.241  -4.878
  391    H    GLY  53           H        GLY  53  -1.391   4.059  -7.507
  392    HA2  GLY  53           HA2      GLY  53   1.328   4.892  -7.674
  393    HA3  GLY  53           HA3      GLY  53   1.234   3.165  -7.258
  394    H    PHE  54           H        PHE  54  -1.251   4.858  -9.174
  395    HA   PHE  54           HA       PHE  54  -0.549   3.370 -11.646
  396    HB2  PHE  54           HB2      PHE  54  -3.205   3.384 -10.129
  397    HB3  PHE  54           HB3      PHE  54  -3.017   2.834 -11.779
  398    HD1  PHE  54           HD2      PHE  54  -2.062   2.074  -8.239
  399    HD2  PHE  54           HD1      PHE  54  -2.374   0.600 -12.281
  400    HE1  PHE  54           HE2      PHE  54  -1.605  -0.227  -7.437
  401    HE2  PHE  54           HE1      PHE  54  -1.928  -1.698 -11.475
  402    HZ   PHE  54           HZ       PHE  54  -1.531  -2.119  -9.052
  403    H    ALA  55           H        ALA  55  -1.210   4.501 -13.485
  404    HA   ALA  55           HA       ALA  55  -1.994   7.284 -13.344
  405    HB1  ALA  55           HB1      ALA  55  -2.473   6.871 -15.807
  406    HB2  ALA  55           HB2      ALA  55  -0.826   6.419 -15.300
  407    HB3  ALA  55           HB3      ALA  55  -2.067   5.168 -15.549
  408    H    MET  56           H        MET  56  -4.055   8.022 -12.834
  409    HA   MET  56           HA       MET  56  -6.354   6.170 -12.892
  410    HB2  MET  56           HB2      MET  56  -6.016   7.998 -11.128
  411    HB3  MET  56           HB3      MET  56  -6.345   9.170 -12.402
  412    HG2  MET  56           HG2      MET  56  -8.560   8.070 -12.799
  413    HG3  MET  56           HG3      MET  56  -8.201   6.947 -11.489
  414    HE1  MET  56           HE1      MET  56  -9.550  10.420 -12.522
  415    HE2  MET  56           HE2      MET  56  -9.282  11.429 -11.084
  416    HE3  MET  56           HE3      MET  56  -7.900  10.882 -12.054
  417    H    SER  57           H        SER  57  -5.454   9.341 -14.374
  418    HA   SER  57           HA       SER  57  -6.761   8.592 -16.934
  419    HB2  SER  57           HB2      SER  57  -7.432  11.105 -15.334
  420    HB3  SER  57           HB3      SER  57  -8.129  10.611 -16.884
  421    HG   SER  57           HG       SER  57  -9.534  10.107 -15.197
  422    H    VAL  58           H        VAL  58  -5.792   9.599 -18.674
  423    HA   VAL  58           HA       VAL  58  -3.401  11.251 -18.294
  424    HB   VAL  58           HB       VAL  58  -4.973  10.476 -20.794
  425   HG11  VAL  58          HG11      VAL  58  -3.541  12.476 -21.188
  426   HG12  VAL  58          HG12      VAL  58  -2.136  11.577 -20.567
  427   HG13  VAL  58          HG13      VAL  58  -2.951  11.060 -22.056
  428   HG21  VAL  58          HG21      VAL  58  -4.055   8.479 -19.702
  429   HG22  VAL  58          HG22      VAL  58  -3.131   8.839 -21.152
  430   HG23  VAL  58          HG23      VAL  58  -2.459   9.250 -19.560
  431    H    ILE  59           H        ILE  59  -3.345  13.523 -18.785
  432    HA   ILE  59           HA       ILE  59  -5.924  14.935 -19.114
  433    HB   ILE  59           HB       ILE  59  -5.381  16.441 -17.253
  434   HG12  ILE  59          HG12      ILE  59  -3.083  14.559 -16.675
  435   HG13  ILE  59          HG13      ILE  59  -3.009  16.270 -17.113
  436   HG21  ILE  59          HG21      ILE  59  -6.896  14.445 -16.970
  437   HG22  ILE  59          HG22      ILE  59  -5.532  13.582 -16.223
  438   HG23  ILE  59          HG23      ILE  59  -6.191  15.049 -15.472
  439   HD11  ILE  59          HD11      ILE  59  -4.250  16.761 -14.945
  440   HD12  ILE  59          HD12      ILE  59  -3.996  15.054 -14.505
  441   HD13  ILE  59          HD13      ILE  59  -2.601  16.107 -14.774
  442    H    ASN  60           H        ASN  60  -5.563  17.237 -19.681
  443    HA   ASN  60           HA       ASN  60  -3.183  17.451 -21.434
  444    HB2  ASN  60           HB2      ASN  60  -4.168  19.270 -22.495
  445    HB3  ASN  60           HB3      ASN  60  -5.455  18.106 -22.269
  446   HD21  ASN  60          HD22      ASN  60  -7.369  18.951 -21.400
  447   HD22  ASN  60          HD21      ASN  60  -7.475  20.500 -20.606
  448    H    GLU  61           H        GLU  61  -2.028  19.639 -21.452
  449    HA   GLU  61           HA       GLU  61  -0.597  19.695 -19.024
  450    HB2  GLU  61           HB2      GLU  61  -0.497  21.878 -21.146
  451    HB3  GLU  61           HB3      GLU  61   0.761  21.381 -20.024
  452    HG2  GLU  61           HG2      GLU  61   1.570  20.350 -21.866
  453    HG3  GLU  61           HG3      GLU  61   0.525  19.046 -21.325
  454    H    ALA  62           H        ALA  62  -3.273  21.756 -20.093
  455    HA   ALA  62           HA       ALA  62  -2.702  23.871 -18.093
  456    HB1  ALA  62           HB1      ALA  62  -4.755  24.898 -18.959
  457    HB2  ALA  62           HB2      ALA  62  -3.657  24.499 -20.294
  458    HB3  ALA  62           HB3      ALA  62  -5.078  23.479 -19.972
  459    H    GLU  63           H        GLU  63  -4.952  21.189 -18.703
  460    HA   GLU  63           HA       GLU  63  -6.568  21.393 -16.372
  461    HB2  GLU  63           HB2      GLU  63  -7.130  20.107 -18.332
  462    HB3  GLU  63           HB3      GLU  63  -5.694  19.095 -18.156
  463    HG2  GLU  63           HG2      GLU  63  -6.635  18.088 -16.117
  464    HG3  GLU  63           HG3      GLU  63  -8.039  19.159 -16.234
  465    H    ALA  64           H        ALA  64  -3.420  19.719 -16.965
  466    HA   ALA  64           HA       ALA  64  -3.141  18.597 -14.372
  467    HB1  ALA  64           HB1      ALA  64  -0.761  18.456 -14.913
  468    HB2  ALA  64           HB2      ALA  64  -1.717  18.008 -16.338
  469    HB3  ALA  64           HB3      ALA  64  -0.950  19.603 -16.254
  470    H    ARG  65           H        ARG  65  -1.957  21.753 -15.659
  471    HA   ARG  65           HA       ARG  65  -0.790  22.573 -13.178
  472    HB2  ARG  65           HB2      ARG  65  -1.712  24.090 -15.643
  473    HB3  ARG  65           HB3      ARG  65  -0.998  24.909 -14.246
  474    HG2  ARG  65           HG2      ARG  65   1.055  23.661 -14.414
  475    HG3  ARG  65           HG3      ARG  65   0.411  22.602 -15.671
  476    HD2  ARG  65           HD2      ARG  65   0.729  25.612 -15.992
  477    HD3  ARG  65           HD3      ARG  65   1.956  24.429 -16.480
  478    HE   ARG  65           HE       ARG  65  -0.269  23.478 -17.718
  479   HH11  ARG  65          HH11      ARG  65   1.363  26.636 -17.751
  480   HH12  ARG  65          HH12      ARG  65   0.870  27.049 -19.350
  481   HH21  ARG  65          HH21      ARG  65  -0.947  24.046 -19.878
  482   HH22  ARG  65          HH22      ARG  65  -0.462  25.540 -20.578
  483    H    ASP  66           H        ASP  66  -4.097  23.127 -14.490
  484    HA   ASP  66           HA       ASP  66  -4.990  24.763 -12.334
  485    HB2  ASP  66           HB2      ASP  66  -6.241  24.552 -14.419
  486    HB3  ASP  66           HB3      ASP  66  -6.509  22.831 -14.128
  487    H    THR  67           H        THR  67  -5.039  21.181 -12.771
  488    HA   THR  67           HA       THR  67  -6.354  20.656 -10.294
  489    HB   THR  67           HB       THR  67  -4.484  18.850 -11.884
  490    HG1  THR  67           HG1      THR  67  -6.068  19.515 -13.228
  491   HG21  THR  67          HG21      THR  67  -6.763  18.210  -9.945
  492   HG22  THR  67          HG22      THR  67  -5.880  17.021 -10.929
  493   HG23  THR  67          HG23      THR  67  -5.037  17.917  -9.656
  494    H    LEU  68           H        LEU  68  -2.856  20.978 -11.127
  495    HA   LEU  68           HA       LEU  68  -1.866  20.253  -8.538
  496    HB2  LEU  68           HB2      LEU  68  -0.772  21.999 -10.779
  497    HB3  LEU  68           HB3      LEU  68   0.135  21.721  -9.300
  498    HG   LEU  68           HG       LEU  68  -0.865  19.413 -10.985
  499   HD11  LEU  68          HD11      LEU  68   0.517  20.864 -12.419
  500   HD12  LEU  68          HD12      LEU  68   1.837  20.785 -11.234
  501   HD13  LEU  68          HD13      LEU  68   1.286  19.319 -12.097
  502   HD21  LEU  68          HD21      LEU  68  -0.137  18.879  -8.665
  503   HD22  LEU  68          HD22      LEU  68   0.941  18.168  -9.865
  504   HD23  LEU  68          HD23      LEU  68   1.432  19.634  -8.989
  505    H    ASP  69           H        ASP  69  -2.844  23.419  -9.940
  506    HA   ASP  69           HA       ASP  69  -2.087  24.994  -7.688
  507    HB2  ASP  69           HB2      ASP  69  -2.530  25.980  -9.867
  508    HB3  ASP  69           HB3      ASP  69  -4.215  25.453  -9.807
  509    H    ALA  70           H        ALA  70  -5.157  23.311  -8.502
  510    HA   ALA  70           HA       ALA  70  -6.590  24.190  -6.179
  511    HB1  ALA  70           HB1      ALA  70  -7.704  23.204  -8.144
  512    HB2  ALA  70           HB2      ALA  70  -6.895  21.649  -7.851
  513    HB3  ALA  70           HB3      ALA  70  -8.069  22.272  -6.680
  514    H    LEU  71           H        LEU  71  -4.712  21.181  -6.838
  515    HA   LEU  71           HA       LEU  71  -5.187  19.892  -4.431
  516    HB2  LEU  71           HB2      LEU  71  -4.205  18.904  -6.453
  517    HB3  LEU  71           HB3      LEU  71  -2.713  19.791  -6.220
  518    HG   LEU  71           HG       LEU  71  -2.706  17.352  -5.666
  519   HD11  LEU  71          HD11      LEU  71  -0.975  18.910  -4.759
  520   HD12  LEU  71          HD12      LEU  71  -1.911  19.006  -3.247
  521   HD13  LEU  71          HD13      LEU  71  -1.259  17.459  -3.786
  522   HD21  LEU  71          HD21      LEU  71  -4.273  18.127  -3.183
  523   HD22  LEU  71          HD22      LEU  71  -4.918  17.216  -4.570
  524   HD23  LEU  71          HD23      LEU  71  -3.619  16.526  -3.584
  525    H    GLN  72           H        GLN  72  -2.456  22.118  -5.194
  526    HA   GLN  72           HA       GLN  72  -1.332  21.856  -2.567
  527    HB2  GLN  72           HB2      GLN  72   0.328  23.389  -3.284
  528    HB3  GLN  72           HB3      GLN  72  -0.067  22.355  -4.650
  529    HG2  GLN  72           HG2      GLN  72  -1.629  24.266  -5.432
  530    HG3  GLN  72           HG3      GLN  72  -0.853  25.266  -4.207
  531   HE21  GLN  72          HE22      GLN  72  -0.234  23.248  -7.085
  532   HE22  GLN  72          HE21      GLN  72   1.231  24.079  -7.598
  533    H    ASN  73           H        ASN  73  -4.224  23.261  -3.149
  534    HA   ASN  73           HA       ASN  73  -3.854  25.280  -0.966
  535    HB2  ASN  73           HB2      ASN  73  -5.416  25.536  -3.563
  536    HB3  ASN  73           HB3      ASN  73  -5.803  26.487  -2.134
  537   HD21  ASN  73          HD22      ASN  73  -3.631  26.229  -4.838
  538   HD22  ASN  73          HD21      ASN  73  -2.627  27.597  -4.406
  539    H    MET  74           H        MET  74  -5.910  22.781  -2.472
  540    HA   MET  74           HA       MET  74  -8.184  23.079  -0.879
  541    HB2  MET  74           HB2      MET  74  -6.934  20.754  -2.359
  542    HB3  MET  74           HB3      MET  74  -8.369  20.495  -1.357
  543    HG2  MET  74           HG2      MET  74  -9.631  22.150  -2.575
  544    HG3  MET  74           HG3      MET  74  -8.226  22.594  -3.546
  545    HE1  MET  74           HE1      MET  74 -10.846  20.822  -5.973
  546    HE2  MET  74           HE2      MET  74 -11.310  21.618  -4.454
  547    HE3  MET  74           HE3      MET  74 -10.096  22.366  -5.512
  548    H    PHE  75           H        PHE  75  -5.068  21.862   0.198
  549    HA   PHE  75           HA       PHE  75  -5.958  20.319   2.384
  550    HB2  PHE  75           HB2      PHE  75  -3.811  20.504   3.273
  551    HB3  PHE  75           HB3      PHE  75  -3.566  20.588   1.540
  552    HD1  PHE  75           HD1      PHE  75  -2.900  22.793   0.479
  553    HD2  PHE  75           HD2      PHE  75  -3.352  22.367   4.752
  554    HE1  PHE  75           HE1      PHE  75  -1.720  24.951   0.831
  555    HE2  PHE  75           HE2      PHE  75  -2.166  24.516   5.090
  556    HZ   PHE  75           HZ       PHE  75  -1.354  25.816   3.129
  557    H    ASP  76           H        ASP  76  -6.177  23.791   1.905
  558    HA   ASP  76           HA       ASP  76  -6.410  24.616   4.624
  559    HB2  ASP  76           HB2      ASP  76  -6.001  26.120   2.699
  560    HB3  ASP  76           HB3      ASP  76  -7.621  25.774   2.086
  561    H    VAL  77           H        VAL  77  -8.615  22.825   2.592
  562    HA   VAL  77           HA       VAL  77 -10.832  23.220   4.548
  563    HB   VAL  77           HB       VAL  77 -12.355  22.973   2.527
  564   HG11  VAL  77          HG11      VAL  77 -12.010  25.105   3.741
  565   HG12  VAL  77          HG12      VAL  77 -10.643  25.493   2.675
  566   HG13  VAL  77          HG13      VAL  77 -12.286  25.363   2.012
  567   HG21  VAL  77          HG21      VAL  77 -10.672  22.231   0.849
  568   HG22  VAL  77          HG22      VAL  77 -11.562  23.668   0.342
  569   HG23  VAL  77          HG23      VAL  77  -9.898  23.828   0.931
  570    H    GLU  78           H        GLU  78  -8.916  20.945   2.712
  571    HA   GLU  78           HA       GLU  78 -10.209  18.764   4.204
  572    HB2  GLU  78           HB2      GLU  78 -10.164  17.331   2.142
  573    HB3  GLU  78           HB3      GLU  78 -11.447  18.519   2.288
  574    HG2  GLU  78           HG2      GLU  78 -10.275  20.023   0.703
  575    HG3  GLU  78           HG3      GLU  78  -9.009  18.812   0.486
  576    HA   PRO  79           HA       PRO  79  -5.648  19.267   4.378
  577    HB2  PRO  79           HB2      PRO  79  -5.237  18.351   6.961
  578    HB3  PRO  79           HB3      PRO  79  -5.694  20.022   6.515
  579    HG2  PRO  79           HG2      PRO  79  -7.505  17.760   7.395
  580    HG3  PRO  79           HG3      PRO  79  -7.499  19.462   7.960
  581    HD2  PRO  79           HD2      PRO  79  -9.256  18.609   6.100
  582    HD3  PRO  79           HD3      PRO  79  -8.498  20.224   5.946
  583    H    ASP  80           H        ASP  80  -7.545  16.395   4.543
  584    HA   ASP  80           HA       ASP  80  -5.598  14.350   4.697
  585    HB2  ASP  80           HB2      ASP  80  -7.944  13.806   4.595
  586    HB3  ASP  80           HB3      ASP  80  -8.128  14.632   3.044
  587    H    VAL  81           H        VAL  81  -6.422  16.580   1.938
  588    HA   VAL  81           HA       VAL  81  -4.748  15.098   0.123
  589    HB   VAL  81           HB       VAL  81  -5.041  16.763  -1.455
  590   HG11  VAL  81          HG11      VAL  81  -7.611  16.797   0.164
  591   HG12  VAL  81          HG12      VAL  81  -7.429  17.063  -1.580
  592   HG13  VAL  81          HG13      VAL  81  -7.074  15.470  -0.891
  593   HG21  VAL  81          HG21      VAL  81  -5.995  19.006  -1.034
  594   HG22  VAL  81          HG22      VAL  81  -5.889  18.708   0.713
  595   HG23  VAL  81          HG23      VAL  81  -4.416  18.787  -0.278
  596    H    GLY  82           H        GLY  82  -4.083  17.504   2.580
  597    HA2  GLY  82           HA2      GLY  82  -1.471  18.335   1.611
  598    HA3  GLY  82           HA3      GLY  82  -2.148  18.554   3.242
  599    H    ALA  83           H        ALA  83  -2.727  16.042   4.115
  600    HA   ALA  83           HA       ALA  83  -0.228  14.917   4.824
  601    HB1  ALA  83           HB1      ALA  83  -1.543  13.093   5.761
  602    HB2  ALA  83           HB2      ALA  83  -2.347  14.634   6.100
  603    HB3  ALA  83           HB3      ALA  83  -2.964  13.571   4.811
  604    H    LEU  84           H        LEU  84  -2.582  13.897   2.316
  605    HA   LEU  84           HA       LEU  84  -1.210  11.673   1.289
  606    HB2  LEU  84           HB2      LEU  84  -3.509  12.213   0.779
  607    HB3  LEU  84           HB3      LEU  84  -3.052  13.712  -0.000
  608    HG   LEU  84           HG       LEU  84  -3.785  11.905  -1.503
  609   HD11  LEU  84          HD11      LEU  84  -2.250  13.829  -2.210
  610   HD12  LEU  84          HD12      LEU  84  -0.944  12.616  -2.259
  611   HD13  LEU  84          HD13      LEU  84  -2.382  12.431  -3.264
  612   HD21  LEU  84          HD21      LEU  84  -2.735   9.997  -0.337
  613   HD22  LEU  84          HD22      LEU  84  -2.372  10.029  -2.066
  614   HD23  LEU  84          HD23      LEU  84  -1.136  10.535  -0.897
  615    H    LEU  85           H        LEU  85  -0.961  15.145   0.263
  616    HA   LEU  85           HA       LEU  85   1.029  14.729  -1.703
  617    HB2  LEU  85           HB2      LEU  85  -0.287  16.790  -1.525
  618    HB3  LEU  85           HB3      LEU  85   0.422  17.144   0.047
  619    HG   LEU  85           HG       LEU  85   2.657  17.425  -1.000
  620   HD11  LEU  85          HD11      LEU  85   2.425  15.984  -2.996
  621   HD12  LEU  85          HD12      LEU  85   1.166  17.060  -3.641
  622   HD13  LEU  85          HD13      LEU  85   2.837  17.632  -3.465
  623   HD21  LEU  85          HD21      LEU  85   0.456  19.116  -2.250
  624   HD22  LEU  85          HD22      LEU  85   1.178  19.354  -0.645
  625   HD23  LEU  85          HD23      LEU  85   2.168  19.565  -2.097
  626    H    TYR  86           H        TYR  86   1.314  15.370   1.830
  627    HA   TYR  86           HA       TYR  86   4.175  15.435   1.860
  628    HB2  TYR  86           HB2      TYR  86   2.375  14.516   4.117
  629    HB3  TYR  86           HB3      TYR  86   4.033  15.062   4.248
  630    HD1  TYR  86           HD2      TYR  86   3.594  17.558   2.270
  631    HD2  TYR  86           HD1      TYR  86   1.578  16.061   5.787
  632    HE1  TYR  86           HE2      TYR  86   2.743  19.819   2.737
  633    HE2  TYR  86           HE1      TYR  86   0.713  18.330   6.256
  634    HH   TYR  86           HH       TYR  86   1.448  21.150   4.147
  635    H    GLY  87           H        GLY  87   1.903  12.675   1.878
  636    HA2  GLY  87           HA2      GLY  87   3.472  10.982   0.524
  637    HA3  GLY  87           HA3      GLY  87   4.087  10.724   2.160
  638    H    GLU  88           H        GLU  88   1.045  11.220   3.110
  639    HA   GLU  88           HA       GLU  88   0.013   8.539   2.402
  640    HB2  GLU  88           HB2      GLU  88   0.876   9.342   5.218
  641    HB3  GLU  88           HB3      GLU  88  -0.155   7.960   4.830
  642    HG2  GLU  88           HG2      GLU  88   1.695   7.017   3.427
  643    HG3  GLU  88           HG3      GLU  88   2.747   8.322   3.992
  644    H    GLU  89           H        GLU  89  -2.186   8.564   2.417
  645    HA   GLU  89           HA       GLU  89  -3.773  10.837   3.061
  646    HB2  GLU  89           HB2      GLU  89  -5.664   9.315   2.798
  647    HB3  GLU  89           HB3      GLU  89  -4.488   9.098   1.503
  648    HG2  GLU  89           HG2      GLU  89  -3.616   7.060   2.651
  649    HG3  GLU  89           HG3      GLU  89  -4.796   7.290   3.944
  650    H    LYS  90           H        LYS  90  -5.435  10.986   4.762
  651    HA   LYS  90           HA       LYS  90  -4.657   9.757   7.358
  652    HB2  LYS  90           HB2      LYS  90  -3.391  11.862   7.099
  653    HB3  LYS  90           HB3      LYS  90  -4.898  12.747   6.818
  654    HG2  LYS  90           HG2      LYS  90  -5.675  12.124   9.105
  655    HG3  LYS  90           HG3      LYS  90  -4.169  11.219   9.358
  656    HD2  LYS  90           HD2      LYS  90  -2.861  13.321   9.097
  657    HD3  LYS  90           HD3      LYS  90  -4.351  14.207   8.760
  658    HE2  LYS  90           HE2      LYS  90  -3.760  14.644  11.034
  659    HE3  LYS  90           HE3      LYS  90  -5.208  13.636  11.029
  660    HZ1  LYS  90           HZ1      LYS  90  -2.450  12.662  11.524
  661    HZ2  LYS  90           HZ2      LYS  90  -3.587  12.898  12.663
  662    HZ3  LYS  90           HZ3      LYS  90  -3.795  11.728  11.552
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1   2.824   3.260  -4.490
    2    H2   MET   1           H2       MET   1   3.975   2.644  -3.489
    3    H3   MET   1           H3       MET   1   2.389   2.526  -3.098
    4    HA   MET   1           HA       MET   1   3.385   4.224  -1.775
    5    HB2  MET   1           HB2      MET   1   5.199   4.759  -3.423
    6    HB3  MET   1           HB3      MET   1   4.014   5.600  -4.429
    7    HG2  MET   1           HG2      MET   1   3.550   7.148  -2.514
    8    HG3  MET   1           HG3      MET   1   4.783   6.320  -1.564
    9    HE1  MET   1           HE1      MET   1   7.241   5.896  -3.594
   10    HE2  MET   1           HE2      MET   1   8.115   7.409  -3.284
   11    HE3  MET   1           HE3      MET   1   7.359   6.532  -1.936
   12    H    CYS   2           H        CYS   2   1.859   5.626  -0.936
   13    HA   CYS   2           HA       CYS   2  -0.739   5.717  -2.179
   14    HB2  CYS   2           HB2      CYS   2   0.295   7.025   0.375
   15    HB3  CYS   2           HB3      CYS   2  -1.399   6.792  -0.075
   16    HG   CYS   2           HG       CYS   2  -1.346   4.188  -0.190
   17    H    ILE   3           H        ILE   3   0.814   7.023  -3.995
   18    HA   ILE   3           HA       ILE   3   0.754   9.907  -3.753
   19    HB   ILE   3           HB       ILE   3   1.107   9.907  -6.167
   20   HG12  ILE   3          HG12      ILE   3   0.573   6.911  -6.030
   21   HG13  ILE   3          HG13      ILE   3  -0.327   8.134  -6.932
   22   HG21  ILE   3          HG21      ILE   3   2.851   7.760  -4.896
   23   HG22  ILE   3          HG22      ILE   3   3.289   8.912  -6.168
   24   HG23  ILE   3          HG23      ILE   3   2.982   9.496  -4.533
   25   HD11  ILE   3          HD11      ILE   3   2.461   7.081  -7.518
   26   HD12  ILE   3          HD12      ILE   3   1.005   6.958  -8.517
   27   HD13  ILE   3          HD13      ILE   3   1.794   8.532  -8.294
   28    H    GLY   4           H        GLY   4  -0.750  11.312  -5.003
   29    HA2  GLY   4           HA2      GLY   4  -3.335  10.338  -5.827
   30    HA3  GLY   4           HA3      GLY   4  -3.369  11.004  -4.190
   31    H    VAL   5           H        VAL   5  -1.575  12.012  -7.190
   32    HA   VAL   5           HA       VAL   5  -2.735  14.709  -7.105
   33    HB   VAL   5           HB       VAL   5   0.256  14.179  -6.704
   34   HG11  VAL   5          HG11      VAL   5  -1.283  16.810  -6.719
   35   HG12  VAL   5          HG12      VAL   5   0.426  16.626  -6.288
   36   HG13  VAL   5          HG13      VAL   5  -0.090  16.258  -7.924
   37   HG21  VAL   5          HG21      VAL   5   0.009  15.279  -4.470
   38   HG22  VAL   5          HG22      VAL   5  -1.755  15.210  -4.663
   39   HG23  VAL   5          HG23      VAL   5  -0.791  13.720  -4.561
   40    HA   PRO   6           HA       PRO   6  -1.794  14.052 -11.510
   41    HB2  PRO   6           HB2      PRO   6  -0.985  16.955 -11.515
   42    HB3  PRO   6           HB3      PRO   6  -2.001  16.071 -12.694
   43    HG2  PRO   6           HG2      PRO   6  -3.141  17.667 -10.817
   44    HG3  PRO   6           HG3      PRO   6  -3.860  16.074 -11.219
   45    HD2  PRO   6           HD2      PRO   6  -2.148  16.837  -8.859
   46    HD3  PRO   6           HD3      PRO   6  -3.593  15.785  -8.908
   47    H    GLY   7           H        GLY   7   0.052  13.901 -12.935
   48    HA2  GLY   7           HA2      GLY   7   2.644  14.993 -12.137
   49    HA3  GLY   7           HA3      GLY   7   2.507  13.225 -12.084
   50    H    GLN   8           H        GLN   8   4.334  14.115 -13.812
   51    HA   GLN   8           HA       GLN   8   3.046  14.097 -16.514
   52    HB2  GLN   8           HB2      GLN   8   4.132  16.298 -15.844
   53    HB3  GLN   8           HB3      GLN   8   5.675  15.435 -15.805
   54    HG2  GLN   8           HG2      GLN   8   5.302  14.772 -18.218
   55    HG3  GLN   8           HG3      GLN   8   3.785  15.673 -18.193
   56   HE21  GLN   8          HE22      GLN   8   4.536  17.017 -19.931
   57   HE22  GLN   8          HE21      GLN   8   5.711  18.289 -19.639
   58    H    ILE   9           H        ILE   9   3.723  12.508 -17.865
   59    HA   ILE   9           HA       ILE   9   5.458  10.405 -16.860
   60    HB   ILE   9           HB       ILE   9   4.259  10.885 -19.627
   61   HG12  ILE   9          HG12      ILE   9   3.218   9.165 -17.320
   62   HG13  ILE   9          HG13      ILE   9   2.521  10.692 -17.858
   63   HG21  ILE   9          HG21      ILE   9   6.198   9.311 -19.652
   64   HG22  ILE   9          HG22      ILE   9   5.427   8.353 -18.372
   65   HG23  ILE   9          HG23      ILE   9   4.694   8.476 -19.983
   66   HD11  ILE   9          HD11      ILE   9   1.970   9.720 -20.031
   67   HD12  ILE   9          HD12      ILE   9   2.581   8.131 -19.484
   68   HD13  ILE   9          HD13      ILE   9   1.194   8.872 -18.687
   69    H    ARG  10           H        ARG  10   7.645  10.267 -17.151
   70    HA   ARG  10           HA       ARG  10   8.946  12.261 -18.986
   71    HB2  ARG  10           HB2      ARG  10   9.835  11.182 -16.281
   72    HB3  ARG  10           HB3      ARG  10  10.858  12.154 -17.335
   73    HG2  ARG  10           HG2      ARG  10   8.176  13.136 -16.273
   74    HG3  ARG  10           HG3      ARG  10   9.702  13.368 -15.433
   75    HD2  ARG  10           HD2      ARG  10  10.593  14.716 -17.271
   76    HD3  ARG  10           HD3      ARG  10   9.190  14.341 -18.275
   77    HE   ARG  10           HE       ARG  10   8.054  16.045 -17.330
   78   HH11  ARG  10          HH11      ARG  10  10.686  15.333 -15.034
   79   HH12  ARG  10          HH12      ARG  10   9.960  16.270 -13.761
   80   HH21  ARG  10          HH21      ARG  10   7.380  17.534 -15.857
   81   HH22  ARG  10          HH22      ARG  10   8.222  17.786 -14.349
   82    H    THR  11           H        THR  11   8.915   8.866 -17.848
   83    HA   THR  11           HA       THR  11  10.365   8.142 -20.297
   84    HB   THR  11           HB       THR  11  11.258   6.833 -17.724
   85    HG1  THR  11           HG1      THR  11  11.703   8.948 -17.257
   86   HG21  THR  11          HG21      THR  11  13.373   6.533 -18.979
   87   HG22  THR  11          HG22      THR  11  11.996   5.841 -19.841
   88   HG23  THR  11          HG23      THR  11  12.673   7.400 -20.365
   89    H    ILE  12           H        ILE  12   9.920   5.837 -20.814
   90    HA   ILE  12           HA       ILE  12   7.844   4.528 -19.163
   91    HB   ILE  12           HB       ILE  12   7.667   4.837 -22.188
   92   HG12  ILE  12          HG12      ILE  12   6.096   6.186 -19.955
   93   HG13  ILE  12          HG13      ILE  12   7.080   6.952 -21.196
   94   HG21  ILE  12          HG21      ILE  12   5.756   3.498 -20.211
   95   HG22  ILE  12          HG22      ILE  12   5.498   3.670 -21.960
   96   HG23  ILE  12          HG23      ILE  12   6.801   2.664 -21.383
   97   HD11  ILE  12          HD11      ILE  12   4.869   7.327 -21.877
   98   HD12  ILE  12          HD12      ILE  12   5.421   6.002 -22.906
   99   HD13  ILE  12          HD13      ILE  12   4.362   5.671 -21.514
  100    H    ASP  13           H        ASP  13   8.146   2.309 -19.078
  101    HA   ASP  13           HA       ASP  13  10.568   1.222 -20.478
  102    HB2  ASP  13           HB2      ASP  13  10.945   1.663 -18.092
  103    HB3  ASP  13           HB3      ASP  13   9.526   0.701 -17.674
  104    H    GLY  14           H        GLY  14   7.172   0.879 -19.922
  105    HA2  GLY  14           HA2      GLY  14   6.670  -1.144 -21.748
  106    HA3  GLY  14           HA3      GLY  14   6.882  -1.953 -20.176
  107    H    ASN  15           H        ASN  15   4.772  -2.384 -19.595
  108    HA   ASN  15           HA       ASN  15   2.588  -0.508 -19.732
  109    HB2  ASN  15           HB2      ASN  15   2.406  -3.025 -19.584
  110    HB3  ASN  15           HB3      ASN  15   2.964  -2.917 -17.910
  111   HD21  ASN  15          HD22      ASN  15   1.182  -3.247 -16.589
  112   HD22  ASN  15          HD21      ASN  15  -0.379  -2.500 -16.818
  113    H    GLN  16           H        GLN  16   5.331   0.039 -18.105
  114    HA   GLN  16           HA       GLN  16   4.055   1.493 -15.887
  115    HB2  GLN  16           HB2      GLN  16   6.448  -0.393 -15.678
  116    HB3  GLN  16           HB3      GLN  16   6.079   0.855 -14.483
  117    HG2  GLN  16           HG2      GLN  16   3.955  -0.176 -13.938
  118    HG3  GLN  16           HG3      GLN  16   4.135  -1.369 -15.232
  119   HE21  GLN  16          HE22      GLN  16   5.962  -0.148 -12.321
  120   HE22  GLN  16          HE21      GLN  16   6.458  -1.750 -11.808
  121    H    ALA  17           H        ALA  17   5.287   3.320 -15.277
  122    HA   ALA  17           HA       ALA  17   7.372   4.261 -17.159
  123    HB1  ALA  17           HB1      ALA  17   5.956   6.321 -17.501
  124    HB2  ALA  17           HB2      ALA  17   5.226   4.855 -18.180
  125    HB3  ALA  17           HB3      ALA  17   4.633   5.525 -16.638
  126    H    LYS  18           H        LYS  18   8.294   6.301 -16.455
  127    HA   LYS  18           HA       LYS  18   8.244   6.671 -13.488
  128    HB2  LYS  18           HB2      LYS  18  10.404   6.867 -15.540
  129    HB3  LYS  18           HB3      LYS  18  10.289   8.259 -14.477
  130    HG2  LYS  18           HG2      LYS  18  11.871   6.553 -13.647
  131    HG3  LYS  18           HG3      LYS  18  10.598   6.964 -12.507
  132    HD2  LYS  18           HD2      LYS  18  11.106   4.592 -12.443
  133    HD3  LYS  18           HD3      LYS  18   9.439   4.862 -12.935
  134    HE2  LYS  18           HE2      LYS  18  10.041   4.451 -15.296
  135    HE3  LYS  18           HE3      LYS  18  11.739   4.241 -14.839
  136    HZ1  LYS  18           HZ1      LYS  18  11.124   2.305 -13.567
  137    HZ2  LYS  18           HZ2      LYS  18   9.525   2.524 -13.828
  138    HZ3  LYS  18           HZ3      LYS  18  10.525   2.120 -15.070
  139    H    VAL  19           H        VAL  19   7.041   8.270 -12.835
  140    HA   VAL  19           HA       VAL  19   6.274  10.438 -14.728
  141    HB   VAL  19           HB       VAL  19   4.622   9.051 -12.575
  142   HG11  VAL  19          HG11      VAL  19   3.982  11.437 -13.022
  143   HG12  VAL  19          HG12      VAL  19   3.666  10.987 -14.716
  144   HG13  VAL  19          HG13      VAL  19   2.719  10.267 -13.403
  145   HG21  VAL  19          HG21      VAL  19   3.273   8.175 -14.543
  146   HG22  VAL  19          HG22      VAL  19   4.597   8.709 -15.599
  147   HG23  VAL  19          HG23      VAL  19   4.882   7.464 -14.376
  148    H    ASP  20           H        ASP  20   6.788  12.423 -13.957
  149    HA   ASP  20           HA       ASP  20   8.030  12.811 -11.331
  150    HB2  ASP  20           HB2      ASP  20   8.706  14.079 -13.325
  151    HB3  ASP  20           HB3      ASP  20   7.082  14.740 -13.500
  152    H    VAL  21           H        VAL  21   6.906  13.235  -9.494
  153    HA   VAL  21           HA       VAL  21   4.229  14.492  -9.698
  154    HB   VAL  21           HB       VAL  21   4.984  12.273  -7.745
  155   HG11  VAL  21          HG11      VAL  21   2.344  13.735  -8.174
  156   HG12  VAL  21          HG12      VAL  21   2.613  12.377  -7.061
  157   HG13  VAL  21          HG13      VAL  21   3.424  13.919  -6.774
  158   HG21  VAL  21          HG21      VAL  21   3.264  10.899  -8.852
  159   HG22  VAL  21          HG22      VAL  21   3.042  12.160 -10.087
  160   HG23  VAL  21          HG23      VAL  21   4.581  11.279  -9.960
  161    H    CYS  22           H        CYS  22   4.354  16.397  -8.659
  162    HA   CYS  22           HA       CYS  22   5.185  18.164  -7.565
  163    HB2  CYS  22           HB2      CYS  22   5.633  16.119  -5.361
  164    HB3  CYS  22           HB3      CYS  22   5.456  17.867  -5.150
  165    HG   CYS  22           HG       CYS  22   3.269  16.680  -4.365
  166    H    GLY  23           H        GLY  23   7.300  16.695  -9.186
  167    HA2  GLY  23           HA2      GLY  23   9.289  17.820  -9.690
  168    HA3  GLY  23           HA3      GLY  23   9.584  18.163  -7.985
  169    H    ILE  24           H        ILE  24   8.594  14.920  -8.141
  170    HA   ILE  24           HA       ILE  24  11.384  13.903  -8.458
  171    HB   ILE  24           HB       ILE  24   9.486  13.501  -6.115
  172   HG12  ILE  24          HG12      ILE  24  10.789  15.578  -5.936
  173   HG13  ILE  24          HG13      ILE  24  11.158  14.418  -4.682
  174   HG21  ILE  24          HG21      ILE  24  10.449  11.336  -6.537
  175   HG22  ILE  24          HG22      ILE  24  12.078  12.021  -6.705
  176   HG23  ILE  24          HG23      ILE  24  11.254  12.026  -5.130
  177   HD11  ILE  24          HD11      ILE  24  12.920  14.901  -7.128
  178   HD12  ILE  24          HD12      ILE  24  13.173  15.578  -5.511
  179   HD13  ILE  24          HD13      ILE  24  13.286  13.830  -5.757
  180    H    GLN  25           H        GLN  25  11.464  12.001  -9.582
  181    HA   GLN  25           HA       GLN  25   9.089  11.060 -10.911
  182    HB2  GLN  25           HB2      GLN  25  11.888   9.891 -10.711
  183    HB3  GLN  25           HB3      GLN  25  10.586   9.229 -11.710
  184    HG2  GLN  25           HG2      GLN  25  10.428  11.382 -12.944
  185    HG3  GLN  25           HG3      GLN  25  11.785  12.016 -12.011
  186   HE21  GLN  25          HE21      GLN  25  12.133  12.088 -14.687
  187   HE22  GLN  25          HE22      GLN  25  13.199  10.821 -15.234
  188    H    ARG  26           H        ARG  26   7.801   9.382 -10.511
  189    HA   ARG  26           HA       ARG  26   8.430   7.414  -8.348
  190    HB2  ARG  26           HB2      ARG  26   5.648   8.329  -9.217
  191    HB3  ARG  26           HB3      ARG  26   6.044   7.268  -7.876
  192    HG2  ARG  26           HG2      ARG  26   6.535  10.267  -8.057
  193    HG3  ARG  26           HG3      ARG  26   5.311   9.437  -7.106
  194    HD2  ARG  26           HD2      ARG  26   7.321   8.234  -5.946
  195    HD3  ARG  26           HD3      ARG  26   8.303   9.542  -6.612
  196    HE   ARG  26           HE       ARG  26   6.568   9.609  -4.351
  197   HH11  ARG  26          HH11      ARG  26   7.592  11.739  -7.030
  198   HH12  ARG  26          HH12      ARG  26   7.045  13.174  -6.283
  199   HH21  ARG  26          HH21      ARG  26   6.011  11.560  -3.269
  200   HH22  ARG  26          HH22      ARG  26   6.265  13.084  -4.027
  201    H    ASP  27           H        ASP  27   7.771   5.207  -8.998
  202    HA   ASP  27           HA       ASP  27   7.408   4.864 -11.916
  203    HB2  ASP  27           HB2      ASP  27   8.870   3.281 -10.683
  204    HB3  ASP  27           HB3      ASP  27   7.473   2.755  -9.730
  205    H    VAL  28           H        VAL  28   5.418   4.421 -12.837
  206    HA   VAL  28           HA       VAL  28   3.070   4.046 -11.074
  207    HB   VAL  28           HB       VAL  28   3.323   6.100 -13.300
  208   HG11  VAL  28          HG11      VAL  28   1.053   5.148 -13.185
  209   HG12  VAL  28          HG12      VAL  28   0.974   5.533 -11.447
  210   HG13  VAL  28          HG13      VAL  28   1.072   6.822 -12.667
  211   HG21  VAL  28          HG21      VAL  28   2.897   7.779 -11.467
  212   HG22  VAL  28          HG22      VAL  28   3.078   6.474 -10.277
  213   HG23  VAL  28          HG23      VAL  28   4.447   6.956 -11.300
  214    H    ASP  29           H        ASP  29   1.626   2.627 -11.907
  215    HA   ASP  29           HA       ASP  29   2.250   1.099 -14.333
  216    HB2  ASP  29           HB2      ASP  29   1.493   0.030 -12.234
  217    HB3  ASP  29           HB3      ASP  29   0.002   0.967 -12.290
  218    H    LEU  30           H        LEU  30   1.091   1.146 -16.227
  219    HA   LEU  30           HA       LEU  30  -0.764   3.465 -16.564
  220    HB2  LEU  30           HB2      LEU  30   1.163   2.191 -18.545
  221    HB3  LEU  30           HB3      LEU  30   0.053   3.499 -18.906
  222    HG   LEU  30           HG       LEU  30   2.481   3.644 -17.100
  223   HD11  LEU  30          HD11      LEU  30   3.114   5.397 -18.806
  224   HD12  LEU  30          HD12      LEU  30   2.962   3.765 -19.482
  225   HD13  LEU  30          HD13      LEU  30   1.674   4.969 -19.732
  226   HD21  LEU  30          HD21      LEU  30   1.941   6.066 -16.837
  227   HD22  LEU  30          HD22      LEU  30   0.356   5.780 -17.587
  228   HD23  LEU  30          HD23      LEU  30   0.774   5.024 -16.029
  229    H    THR  31           H        THR  31  -1.392   0.359 -16.052
  230    HA   THR  31           HA       THR  31  -2.358  -0.768 -18.383
  231    HB   THR  31           HB       THR  31  -3.670  -0.999 -15.642
  232    HG1  THR  31           HG1      THR  31  -1.570  -1.367 -15.339
  233   HG21  THR  31          HG21      THR  31  -4.953  -2.200 -17.358
  234   HG22  THR  31          HG22      THR  31  -3.472  -2.974 -17.966
  235   HG23  THR  31          HG23      THR  31  -4.091  -3.359 -16.343
  236    H    LEU  32           H        LEU  32  -4.015   1.711 -16.418
  237    HA   LEU  32           HA       LEU  32  -6.555   1.341 -17.789
  238    HB2  LEU  32           HB2      LEU  32  -5.629   3.538 -15.916
  239    HB3  LEU  32           HB3      LEU  32  -7.289   3.254 -16.410
  240    HG   LEU  32           HG       LEU  32  -5.602   1.315 -14.763
  241   HD11  LEU  32          HD11      LEU  32  -7.874   3.170 -13.945
  242   HD12  LEU  32          HD12      LEU  32  -7.092   1.956 -12.905
  243   HD13  LEU  32          HD13      LEU  32  -6.157   3.327 -13.509
  244   HD21  LEU  32          HD21      LEU  32  -7.757   0.132 -14.380
  245   HD22  LEU  32          HD22      LEU  32  -8.548   1.206 -15.556
  246   HD23  LEU  32          HD23      LEU  32  -7.269   0.082 -16.074
  247    H    VAL  33           H        VAL  33  -3.720   2.940 -18.803
  248    HA   VAL  33           HA       VAL  33  -5.303   4.741 -20.579
  249    HB   VAL  33           HB       VAL  33  -3.592   6.478 -20.295
  250   HG11  VAL  33          HG11      VAL  33  -5.668   6.555 -18.943
  251   HG12  VAL  33          HG12      VAL  33  -4.841   5.695 -17.626
  252   HG13  VAL  33          HG13      VAL  33  -4.290   7.303 -18.116
  253   HG21  VAL  33          HG21      VAL  33  -2.001   6.454 -18.443
  254   HG22  VAL  33          HG22      VAL  33  -2.494   4.813 -17.985
  255   HG23  VAL  33          HG23      VAL  33  -1.670   5.106 -19.533
  256    H    GLY  34           H        GLY  34  -2.712   2.433 -20.288
  257    HA2  GLY  34           HA2      GLY  34  -1.639   1.299 -21.981
  258    HA3  GLY  34           HA3      GLY  34  -2.286   2.410 -23.196
  259    H    SER  35           H        SER  35   0.495   1.496 -22.850
  260    HA   SER  35           HA       SER  35   2.079   3.616 -21.724
  261    HB2  SER  35           HB2      SER  35   3.886   2.254 -23.004
  262    HB3  SER  35           HB3      SER  35   3.011   1.492 -21.664
  263    HG   SER  35           HG       SER  35   3.144   0.134 -23.516
  264    H    CYS  36           H        CYS  36   0.467   3.246 -24.773
  265    HA   CYS  36           HA       CYS  36   2.052   5.491 -25.920
  266    HB2  CYS  36           HB2      CYS  36   0.859   3.090 -27.370
  267    HB3  CYS  36           HB3      CYS  36   1.555   4.514 -28.156
  268    HG   CYS  36           HG       CYS  36   3.239   2.499 -28.286
  269    H    ASP  37           H        ASP  37   0.904   6.944 -27.173
  270    HA   ASP  37           HA       ASP  37  -1.840   7.449 -26.288
  271    HB2  ASP  37           HB2      ASP  37  -0.067   9.227 -26.506
  272    HB3  ASP  37           HB3      ASP  37  -0.063   8.950 -28.254
  273    H    GLU  38           H        GLU  38  -3.536   7.949 -27.857
  274    HA   GLU  38           HA       GLU  38  -4.267   6.111 -29.786
  275    HB2  GLU  38           HB2      GLU  38  -5.584   7.983 -28.682
  276    HB3  GLU  38           HB3      GLU  38  -4.756   9.121 -29.762
  277    HG2  GLU  38           HG2      GLU  38  -5.754   8.010 -31.728
  278    HG3  GLU  38           HG3      GLU  38  -6.483   6.778 -30.695
  279    H    ASN  39           H        ASN  39  -2.345   9.102 -30.155
  280    HA   ASN  39           HA       ASN  39  -2.238   9.139 -32.993
  281    HB2  ASN  39           HB2      ASN  39  -1.887  11.095 -31.596
  282    HB3  ASN  39           HB3      ASN  39  -0.469  10.360 -30.852
  283   HD21  ASN  39          HD22      ASN  39   1.456  10.758 -31.740
  284   HD22  ASN  39          HD21      ASN  39   1.740  11.488 -33.320
  285    H    GLY  40           H        GLY  40  -0.595   6.998 -30.816
  286    HA2  GLY  40           HA2      GLY  40   0.426   5.087 -31.568
  287    HA3  GLY  40           HA3      GLY  40   0.744   5.813 -33.141
  288    H    GLN  41           H        GLN  41   1.715   7.155 -29.925
  289    HA   GLN  41           HA       GLN  41   4.414   6.120 -30.264
  290    HB2  GLN  41           HB2      GLN  41   5.580   8.066 -30.474
  291    HB3  GLN  41           HB3      GLN  41   4.178   8.473 -31.432
  292    HG2  GLN  41           HG2      GLN  41   4.863   9.402 -28.622
  293    HG3  GLN  41           HG3      GLN  41   4.814  10.363 -30.082
  294   HE21  GLN  41          HE22      GLN  41   3.170   9.919 -27.291
  295   HE22  GLN  41          HE21      GLN  41   1.558  10.369 -27.834
  296    HA   PRO  42           HA       PRO  42   4.289   5.716 -25.852
  297    HB2  PRO  42           HB2      PRO  42   6.749   7.463 -25.681
  298    HB3  PRO  42           HB3      PRO  42   6.430   5.894 -24.879
  299    HG2  PRO  42           HG2      PRO  42   7.996   5.979 -27.066
  300    HG3  PRO  42           HG3      PRO  42   6.750   4.695 -26.911
  301    HD2  PRO  42           HD2      PRO  42   6.615   7.267 -28.495
  302    HD3  PRO  42           HD3      PRO  42   6.120   5.613 -28.975
  303    H    ARG  43           H        ARG  43   3.413   6.804 -24.023
  304    HA   ARG  43           HA       ARG  43   2.294   9.407 -24.474
  305    HB2  ARG  43           HB2      ARG  43   2.365   7.651 -21.976
  306    HB3  ARG  43           HB3      ARG  43   1.450   9.151 -22.136
  307    HG2  ARG  43           HG2      ARG  43   0.311   8.111 -24.173
  308    HG3  ARG  43           HG3      ARG  43   0.958   6.565 -23.605
  309    HD2  ARG  43           HD2      ARG  43  -0.139   6.853 -21.429
  310    HD3  ARG  43           HD3      ARG  43  -0.700   8.463 -21.876
  311    HE   ARG  43           HE       ARG  43  -1.852   5.907 -22.601
  312   HH11  ARG  43          HH11      ARG  43  -1.569   9.292 -23.672
  313   HH12  ARG  43          HH12      ARG  43  -2.867   9.211 -24.797
  314   HH21  ARG  43          HH21      ARG  43  -3.772   5.879 -23.754
  315   HH22  ARG  43          HH22      ARG  43  -4.329   7.249 -24.675
  316    H    VAL  44           H        VAL  44   5.348   9.427 -24.337
  317    HA   VAL  44           HA       VAL  44   6.151  10.495 -21.800
  318    HB   VAL  44           HB       VAL  44   8.169  11.233 -23.084
  319   HG11  VAL  44          HG11      VAL  44   7.362   8.310 -23.400
  320   HG12  VAL  44          HG12      VAL  44   9.017   8.950 -23.437
  321   HG13  VAL  44          HG13      VAL  44   8.064   9.064 -21.952
  322   HG21  VAL  44          HG21      VAL  44   6.896   9.820 -25.475
  323   HG22  VAL  44          HG22      VAL  44   7.195  11.563 -25.338
  324   HG23  VAL  44          HG23      VAL  44   8.553  10.434 -25.362
  325    H    GLY  45           H        GLY  45   6.241  12.578 -21.039
  326    HA2  GLY  45           HA2      GLY  45   6.103  14.857 -21.029
  327    HA3  GLY  45           HA3      GLY  45   5.726  14.873 -22.756
  328    H    GLN  46           H        GLN  46   3.455  12.729 -21.937
  329    HA   GLN  46           HA       GLN  46   1.354  14.726 -21.654
  330    HB2  GLN  46           HB2      GLN  46   1.223  11.683 -21.460
  331    HB3  GLN  46           HB3      GLN  46  -0.153  12.784 -21.550
  332    HG2  GLN  46           HG2      GLN  46   0.683  13.611 -23.761
  333    HG3  GLN  46           HG3      GLN  46   1.939  12.368 -23.735
  334   HE21  GLN  46          HE22      GLN  46  -0.227  12.667 -25.715
  335   HE22  GLN  46          HE21      GLN  46  -1.248  11.240 -25.593
  336    H    TRP  47           H        TRP  47  -0.262  14.561 -19.849
  337    HA   TRP  47           HA       TRP  47   1.116  14.079 -17.255
  338    HB2  TRP  47           HB2      TRP  47  -1.086  16.025 -17.979
  339    HB3  TRP  47           HB3      TRP  47  -0.577  15.660 -16.338
  340    HD1  TRP  47           HD1      TRP  47   0.962  17.073 -19.582
  341    HE1  TRP  47           HE1      TRP  47   2.659  18.892 -19.009
  342    HE3  TRP  47           HE3      TRP  47   0.888  16.602 -14.490
  343    HZ2  TRP  47           HZ2      TRP  47   3.928  19.933 -16.604
  344    HZ3  TRP  47           HZ3      TRP  47   2.389  17.985 -13.083
  345    HH2  TRP  47           HH2      TRP  47   3.902  19.659 -14.126
  346    H    VAL  48           H        VAL  48  -0.205  13.230 -15.559
  347    HA   VAL  48           HA       VAL  48  -2.616  11.729 -16.351
  348    HB   VAL  48           HB       VAL  48  -1.489   9.757 -15.037
  349   HG11  VAL  48          HG11      VAL  48  -0.609   8.751 -17.099
  350   HG12  VAL  48          HG12      VAL  48  -2.175   9.518 -17.339
  351   HG13  VAL  48          HG13      VAL  48  -0.697  10.330 -17.914
  352   HG21  VAL  48          HG21      VAL  48   0.621  11.023 -14.460
  353   HG22  VAL  48          HG22      VAL  48   0.896   9.472 -15.275
  354   HG23  VAL  48          HG23      VAL  48   1.056  10.996 -16.170
  355    H    LEU  49           H        LEU  49  -3.969  11.344 -14.626
  356    HA   LEU  49           HA       LEU  49  -3.340  12.700 -12.063
  357    HB2  LEU  49           HB2      LEU  49  -5.492  13.147 -13.145
  358    HB3  LEU  49           HB3      LEU  49  -5.858  11.437 -13.257
  359    HG   LEU  49           HG       LEU  49  -6.998  12.842 -11.499
  360   HD11  LEU  49          HD11      LEU  49  -5.659  10.312 -10.478
  361   HD12  LEU  49          HD12      LEU  49  -7.150  11.060  -9.874
  362   HD13  LEU  49          HD13      LEU  49  -7.103  10.409 -11.512
  363   HD21  LEU  49          HD21      LEU  49  -5.952  13.274  -9.375
  364   HD22  LEU  49          HD22      LEU  49  -4.437  12.502  -9.881
  365   HD23  LEU  49          HD23      LEU  49  -4.974  14.022 -10.638
  366    H    VAL  50           H        VAL  50  -2.251  11.344 -10.594
  367    HA   VAL  50           HA       VAL  50  -2.503   8.418 -11.083
  368    HB   VAL  50           HB       VAL  50  -0.202   8.176 -10.387
  369   HG11  VAL  50          HG11      VAL  50   0.896   9.163 -12.365
  370   HG12  VAL  50          HG12      VAL  50  -0.670   8.482 -12.798
  371   HG13  VAL  50          HG13      VAL  50  -0.491  10.234 -12.618
  372   HG21  VAL  50          HG21      VAL  50   1.357   9.988 -10.131
  373   HG22  VAL  50          HG22      VAL  50   0.127  11.199 -10.490
  374   HG23  VAL  50          HG23      VAL  50   0.049  10.271  -8.972
  375    H    HIS  51           H        HIS  51  -2.877   7.095  -9.378
  376    HA   HIS  51           HA       HIS  51  -3.010   8.217  -6.644
  377    HB2  HIS  51           HB2      HIS  51  -5.301   6.909  -8.156
  378    HB3  HIS  51           HB3      HIS  51  -5.190   6.868  -6.410
  379    HD1  HIS  51           HD1      HIS  51  -4.285  10.241  -7.906
  380    HD2  HIS  51           HD2      HIS  51  -7.555   8.139  -6.298
  381    HE1  HIS  51           HE1      HIS  51  -6.066  11.987  -7.355
  382    H    VAL  52           H        VAL  52  -2.365   6.677  -5.191
  383    HA   VAL  52           HA       VAL  52  -1.272   4.857  -4.445
  384    HB   VAL  52           HB       VAL  52  -2.720   2.908  -4.261
  385   HG11  VAL  52          HG11      VAL  52  -4.541   4.012  -3.087
  386   HG12  VAL  52          HG12      VAL  52  -3.027   4.880  -2.806
  387   HG13  VAL  52          HG13      VAL  52  -4.230   5.535  -3.938
  388   HG21  VAL  52          HG21      VAL  52  -4.923   2.779  -5.240
  389   HG22  VAL  52          HG22      VAL  52  -4.715   4.320  -6.086
  390   HG23  VAL  52          HG23      VAL  52  -3.748   2.907  -6.556
  391    H    GLY  53           H        GLY  53  -0.305   5.430  -7.133
  392    HA2  GLY  53           HA2      GLY  53   1.618   4.445  -8.061
  393    HA3  GLY  53           HA3      GLY  53   1.072   2.846  -7.558
  394    H    PHE  54           H        PHE  54  -1.526   4.535  -9.101
  395    HA   PHE  54           HA       PHE  54  -0.872   3.299 -11.746
  396    HB2  PHE  54           HB2      PHE  54  -3.507   3.328 -10.220
  397    HB3  PHE  54           HB3      PHE  54  -3.324   2.824 -11.888
  398    HD1  PHE  54           HD2      PHE  54  -2.396   1.961  -8.372
  399    HD2  PHE  54           HD1      PHE  54  -2.639   0.600 -12.458
  400    HE1  PHE  54           HE2      PHE  54  -1.938  -0.360  -7.627
  401    HE2  PHE  54           HE1      PHE  54  -2.188  -1.719 -11.711
  402    HZ   PHE  54           HZ       PHE  54  -1.829  -2.208  -9.294
  403    H    ALA  55           H        ALA  55  -1.451   4.506 -13.522
  404    HA   ALA  55           HA       ALA  55  -2.333   7.295 -13.156
  405    HB1  ALA  55           HB1      ALA  55  -1.807   5.601 -15.645
  406    HB2  ALA  55           HB2      ALA  55  -2.247   7.320 -15.653
  407    HB3  ALA  55           HB3      ALA  55  -0.704   6.806 -14.936
  408    H    MET  56           H        MET  56  -4.419   7.708 -12.788
  409    HA   MET  56           HA       MET  56  -6.436   5.613 -13.361
  410    HB2  MET  56           HB2      MET  56  -6.609   8.252 -11.865
  411    HB3  MET  56           HB3      MET  56  -7.934   7.098 -12.038
  412    HG2  MET  56           HG2      MET  56  -5.288   6.591 -10.623
  413    HG3  MET  56           HG3      MET  56  -6.848   6.905  -9.863
  414    HE1  MET  56           HE1      MET  56  -6.177   3.172  -8.896
  415    HE2  MET  56           HE2      MET  56  -5.040   4.534  -8.985
  416    HE3  MET  56           HE3      MET  56  -6.661   4.774  -8.295
  417    H    SER  57           H        SER  57  -5.394   8.784 -14.571
  418    HA   SER  57           HA       SER  57  -6.970   8.341 -16.976
  419    HB2  SER  57           HB2      SER  57  -7.408  10.824 -15.241
  420    HB3  SER  57           HB3      SER  57  -7.982  10.639 -16.906
  421    HG   SER  57           HG       SER  57  -8.671   8.538 -15.302
  422    H    VAL  58           H        VAL  58  -6.210   9.759 -18.694
  423    HA   VAL  58           HA       VAL  58  -3.572  11.038 -18.194
  424    HB   VAL  58           HB       VAL  58  -3.374   9.115 -19.639
  425   HG11  VAL  58          HG11      VAL  58  -4.437   8.938 -21.838
  426   HG12  VAL  58          HG12      VAL  58  -5.646   8.907 -20.557
  427   HG13  VAL  58          HG13      VAL  58  -5.406  10.388 -21.515
  428   HG21  VAL  58          HG21      VAL  58  -1.925  11.012 -20.122
  429   HG22  VAL  58          HG22      VAL  58  -2.340  10.147 -21.599
  430   HG23  VAL  58          HG23      VAL  58  -3.132  11.689 -21.240
  431    H    ILE  59           H        ILE  59  -3.359  13.183 -18.842
  432    HA   ILE  59           HA       ILE  59  -5.803  14.601 -19.718
  433    HB   ILE  59           HB       ILE  59  -5.626  16.135 -17.810
  434   HG12  ILE  59          HG12      ILE  59  -3.502  14.234 -16.738
  435   HG13  ILE  59          HG13      ILE  59  -3.299  15.925 -17.205
  436   HG21  ILE  59          HG21      ILE  59  -7.169  14.145 -17.792
  437   HG22  ILE  59          HG22      ILE  59  -5.980  13.299 -16.775
  438   HG23  ILE  59          HG23      ILE  59  -6.767  14.783 -16.201
  439   HD11  ILE  59          HD11      ILE  59  -4.889  16.554 -15.348
  440   HD12  ILE  59          HD12      ILE  59  -4.850  14.854 -14.821
  441   HD13  ILE  59          HD13      ILE  59  -3.363  15.807 -14.813
  442    H    ASN  60           H        ASN  60  -5.385  16.870 -20.201
  443    HA   ASN  60           HA       ASN  60  -2.777  17.264 -21.508
  444    HB2  ASN  60           HB2      ASN  60  -3.755  19.203 -22.527
  445    HB3  ASN  60           HB3      ASN  60  -4.895  17.880 -22.678
  446   HD21  ASN  60          HD22      ASN  60  -7.022  18.298 -21.960
  447   HD22  ASN  60          HD21      ASN  60  -7.458  19.675 -20.988
  448    H    GLU  61           H        GLU  61  -1.791  19.540 -21.216
  449    HA   GLU  61           HA       GLU  61  -0.841  19.540 -18.551
  450    HB2  GLU  61           HB2      GLU  61  -0.419  21.804 -20.537
  451    HB3  GLU  61           HB3      GLU  61   0.623  21.289 -19.210
  452    HG2  GLU  61           HG2      GLU  61   0.720  19.015 -20.596
  453    HG3  GLU  61           HG3      GLU  61   0.201  20.031 -21.926
  454    H    ALA  62           H        ALA  62  -3.432  21.471 -20.024
  455    HA   ALA  62           HA       ALA  62  -3.314  23.583 -17.970
  456    HB1  ALA  62           HB1      ALA  62  -5.465  22.948 -20.041
  457    HB2  ALA  62           HB2      ALA  62  -5.365  24.395 -19.025
  458    HB3  ALA  62           HB3      ALA  62  -4.125  24.099 -20.259
  459    H    GLU  63           H        GLU  63  -5.250  20.670 -18.739
  460    HA   GLU  63           HA       GLU  63  -7.012  20.816 -16.497
  461    HB2  GLU  63           HB2      GLU  63  -7.275  19.378 -18.550
  462    HB3  GLU  63           HB3      GLU  63  -5.938  18.386 -17.988
  463    HG2  GLU  63           HG2      GLU  63  -7.880  17.203 -17.398
  464    HG3  GLU  63           HG3      GLU  63  -7.326  17.898 -15.886
  465    H    ALA  64           H        ALA  64  -3.756  19.324 -16.933
  466    HA   ALA  64           HA       ALA  64  -3.559  18.192 -14.337
  467    HB1  ALA  64           HB1      ALA  64  -1.317  19.299 -16.090
  468    HB2  ALA  64           HB2      ALA  64  -1.158  18.141 -14.756
  469    HB3  ALA  64           HB3      ALA  64  -2.026  17.678 -16.233
  470    H    ARG  65           H        ARG  65  -2.483  21.427 -15.536
  471    HA   ARG  65           HA       ARG  65  -1.502  22.276 -12.980
  472    HB2  ARG  65           HB2      ARG  65  -2.360  23.770 -15.480
  473    HB3  ARG  65           HB3      ARG  65  -1.788  24.613 -14.036
  474    HG2  ARG  65           HG2      ARG  65   0.349  23.507 -14.082
  475    HG3  ARG  65           HG3      ARG  65  -0.144  22.417 -15.378
  476    HD2  ARG  65           HD2      ARG  65   0.021  25.444 -15.659
  477    HD3  ARG  65           HD3      ARG  65   1.320  24.323 -16.111
  478    HE   ARG  65           HE       ARG  65  -0.870  23.325 -17.427
  479   HH11  ARG  65          HH11      ARG  65   0.828  26.446 -17.429
  480   HH12  ARG  65          HH12      ARG  65   0.409  26.853 -19.050
  481   HH21  ARG  65          HH21      ARG  65  -1.464  23.892 -19.622
  482   HH22  ARG  65          HH22      ARG  65  -0.908  25.364 -20.314
  483    H    ASP  66           H        ASP  66  -4.772  22.618 -14.467
  484    HA   ASP  66           HA       ASP  66  -5.839  24.212 -12.349
  485    HB2  ASP  66           HB2      ASP  66  -6.976  23.941 -14.503
  486    HB3  ASP  66           HB3      ASP  66  -7.215  22.219 -14.191
  487    H    THR  67           H        THR  67  -5.640  20.642 -12.788
  488    HA   THR  67           HA       THR  67  -7.035  20.036 -10.361
  489    HB   THR  67           HB       THR  67  -5.025  18.325 -11.879
  490    HG1  THR  67           HG1      THR  67  -6.561  18.956 -13.307
  491   HG21  THR  67          HG21      THR  67  -7.397  17.582 -10.095
  492   HG22  THR  67          HG22      THR  67  -6.391  16.436 -11.010
  493   HG23  THR  67          HG23      THR  67  -5.686  17.367  -9.680
  494    H    LEU  68           H        LEU  68  -3.544  20.577 -11.086
  495    HA   LEU  68           HA       LEU  68  -2.583  19.931  -8.469
  496    HB2  LEU  68           HB2      LEU  68  -1.557  21.754 -10.674
  497    HB3  LEU  68           HB3      LEU  68  -0.718  21.619  -9.138
  498    HG   LEU  68           HG       LEU  68  -1.321  19.189 -10.856
  499   HD11  LEU  68          HD11      LEU  68   1.018  19.333 -11.639
  500   HD12  LEU  68          HD12      LEU  68   0.056  20.710 -12.182
  501   HD13  LEU  68          HD13      LEU  68   1.193  20.907 -10.829
  502   HD21  LEU  68          HD21      LEU  68   0.489  18.148  -9.556
  503   HD22  LEU  68          HD22      LEU  68   0.724  19.651  -8.639
  504   HD23  LEU  68          HD23      LEU  68  -0.776  18.726  -8.469
  505    H    ASP  69           H        ASP  69  -3.736  23.059  -9.888
  506    HA   ASP  69           HA       ASP  69  -3.330  24.584  -7.526
  507    HB2  ASP  69           HB2      ASP  69  -3.762  25.627  -9.681
  508    HB3  ASP  69           HB3      ASP  69  -5.376  24.916  -9.750
  509    H    ALA  70           H        ALA  70  -6.175  22.640  -8.584
  510    HA   ALA  70           HA       ALA  70  -7.829  23.285  -6.365
  511    HB1  ALA  70           HB1      ALA  70  -9.094  21.279  -6.993
  512    HB2  ALA  70           HB2      ALA  70  -8.644  22.204  -8.439
  513    HB3  ALA  70           HB3      ALA  70  -7.758  20.720  -8.015
  514    H    LEU  71           H        LEU  71  -5.242  20.840  -6.724
  515    HA   LEU  71           HA       LEU  71  -5.782  19.573  -4.172
  516    HB2  LEU  71           HB2      LEU  71  -4.747  18.449  -6.109
  517    HB3  LEU  71           HB3      LEU  71  -3.361  19.513  -6.043
  518    HG   LEU  71           HG       LEU  71  -3.094  17.166  -5.207
  519   HD11  LEU  71          HD11      LEU  71  -2.288  19.214  -3.118
  520   HD12  LEU  71          HD12      LEU  71  -1.531  17.663  -3.482
  521   HD13  LEU  71          HD13      LEU  71  -1.464  18.967  -4.674
  522   HD21  LEU  71          HD21      LEU  71  -5.201  16.973  -3.937
  523   HD22  LEU  71          HD22      LEU  71  -3.775  16.527  -2.987
  524   HD23  LEU  71          HD23      LEU  71  -4.558  18.093  -2.713
  525    H    GLN  72           H        GLN  72  -3.523  22.130  -5.305
  526    HA   GLN  72           HA       GLN  72  -2.181  22.470  -2.791
  527    HB2  GLN  72           HB2      GLN  72  -2.587  24.280  -5.208
  528    HB3  GLN  72           HB3      GLN  72  -1.651  24.774  -3.796
  529    HG2  GLN  72           HG2      GLN  72  -0.081  22.930  -4.098
  530    HG3  GLN  72           HG3      GLN  72  -1.018  22.287  -5.442
  531   HE21  GLN  72          HE22      GLN  72   1.036  25.039  -4.386
  532   HE22  GLN  72          HE21      GLN  72   1.407  25.592  -6.011
  533    H    ASN  73           H        ASN  73  -5.280  23.706  -4.039
  534    HA   ASN  73           HA       ASN  73  -5.697  25.696  -2.033
  535    HB2  ASN  73           HB2      ASN  73  -7.518  24.110  -3.822
  536    HB3  ASN  73           HB3      ASN  73  -8.216  24.863  -2.397
  537   HD21  ASN  73          HD22      ASN  73  -6.207  25.643  -5.297
  538   HD22  ASN  73          HD21      ASN  73  -6.758  27.296  -5.402
  539    H    MET  74           H        MET  74  -6.531  25.585   0.030
  540    HA   MET  74           HA       MET  74  -6.866  24.840   2.085
  541    HB2  MET  74           HB2      MET  74  -7.749  22.129   1.087
  542    HB3  MET  74           HB3      MET  74  -8.278  23.013   2.511
  543    HG2  MET  74           HG2      MET  74  -8.951  23.613  -0.387
  544    HG3  MET  74           HG3      MET  74 -10.022  22.978   0.847
  545    HE1  MET  74           HE1      MET  74 -11.827  24.772   0.084
  546    HE2  MET  74           HE2      MET  74 -11.521  26.521   0.029
  547    HE3  MET  74           HE3      MET  74 -10.684  25.439  -1.105
  548    H    PHE  75           H        PHE  75  -4.243  23.833   0.466
  549    HA   PHE  75           HA       PHE  75  -3.263  22.074   2.681
  550    HB2  PHE  75           HB2      PHE  75  -4.097  20.685   0.849
  551    HB3  PHE  75           HB3      PHE  75  -3.150  21.602  -0.313
  552    HD1  PHE  75           HD1      PHE  75  -2.653  19.604   2.857
  553    HD2  PHE  75           HD2      PHE  75  -1.106  20.697  -1.022
  554    HE1  PHE  75           HE1      PHE  75  -0.788  17.992   3.141
  555    HE2  PHE  75           HE2      PHE  75   0.755  19.085  -0.730
  556    HZ   PHE  75           HZ       PHE  75   0.914  17.722   1.345
  557    H    ASP  76           H        ASP  76  -2.353  24.067  -0.160
  558    HA   ASP  76           HA       ASP  76   0.355  24.508   1.030
  559    HB2  ASP  76           HB2      ASP  76   0.501  22.857  -0.715
  560    HB3  ASP  76           HB3      ASP  76  -0.504  23.827  -1.791
  561    H    VAL  77           H        VAL  77  -2.429  25.930  -0.650
  562    HA   VAL  77           HA       VAL  77  -1.237  28.495  -1.156
  563    HB   VAL  77           HB       VAL  77  -3.558  29.323  -1.223
  564   HG11  VAL  77          HG11      VAL  77  -3.217  26.677  -2.700
  565   HG12  VAL  77          HG12      VAL  77  -4.329  27.991  -3.122
  566   HG13  VAL  77          HG13      VAL  77  -2.582  28.250  -3.210
  567   HG21  VAL  77          HG21      VAL  77  -4.373  26.518  -0.339
  568   HG22  VAL  77          HG22      VAL  77  -4.590  28.016   0.581
  569   HG23  VAL  77          HG23      VAL  77  -5.469  27.794  -0.930
  570    H    GLU  78           H        GLU  78  -1.920  26.869   1.747
  571    HA   GLU  78           HA       GLU  78  -1.216  29.186   3.386
  572    HB2  GLU  78           HB2      GLU  78  -3.570  27.289   3.882
  573    HB3  GLU  78           HB3      GLU  78  -2.830  28.261   5.151
  574    HG2  GLU  78           HG2      GLU  78  -3.353  30.335   3.850
  575    HG3  GLU  78           HG3      GLU  78  -4.203  29.346   2.659
  576    HA   PRO  79           HA       PRO  79   1.659  26.128   4.541
  577    HB2  PRO  79           HB2      PRO  79   2.487  26.782   7.073
  578    HB3  PRO  79           HB3      PRO  79   2.693  27.857   5.667
  579    HG2  PRO  79           HG2      PRO  79   0.433  27.899   7.698
  580    HG3  PRO  79           HG3      PRO  79   1.487  29.263   7.194
  581    HD2  PRO  79           HD2      PRO  79  -0.941  28.876   6.065
  582    HD3  PRO  79           HD3      PRO  79   0.450  29.402   5.073
  583    H    ASP  80           H        ASP  80  -1.078  25.069   4.910
  584    HA   ASP  80           HA       ASP  80  -1.303  23.587   7.378
  585    HB2  ASP  80           HB2      ASP  80  -3.249  24.008   5.979
  586    HB3  ASP  80           HB3      ASP  80  -2.518  23.138   4.631
  587    H    VAL  81           H        VAL  81   0.062  22.788   4.122
  588    HA   VAL  81           HA       VAL  81   0.958  20.201   4.769
  589    HB   VAL  81           HB       VAL  81   0.875  21.071   2.511
  590   HG11  VAL  81          HG11      VAL  81   2.479  22.607   1.559
  591   HG12  VAL  81          HG12      VAL  81   1.653  23.420   2.888
  592   HG13  VAL  81          HG13      VAL  81   3.307  22.807   3.111
  593   HG21  VAL  81          HG21      VAL  81   2.384  19.177   3.030
  594   HG22  VAL  81          HG22      VAL  81   2.928  20.133   1.642
  595   HG23  VAL  81          HG23      VAL  81   3.736  20.312   3.212
  596    H    GLY  82           H        GLY  82   2.480  23.382   5.468
  597    HA2  GLY  82           HA2      GLY  82   4.988  22.369   6.404
  598    HA3  GLY  82           HA3      GLY  82   4.272  23.952   6.763
  599    H    ALA  83           H        ALA  83   1.879  23.132   8.030
  600    HA   ALA  83           HA       ALA  83   2.692  22.697  10.675
  601    HB1  ALA  83           HB1      ALA  83   0.561  23.764  10.004
  602    HB2  ALA  83           HB2      ALA  83  -0.058  22.179   9.481
  603    HB3  ALA  83           HB3      ALA  83   0.320  22.465  11.188
  604    H    LEU  84           H        LEU  84   2.278  20.332   8.170
  605    HA   LEU  84           HA       LEU  84   2.280  18.098  10.140
  606    HB2  LEU  84           HB2      LEU  84   0.545  18.097   8.390
  607    HB3  LEU  84           HB3      LEU  84   1.762  18.163   7.132
  608    HG   LEU  84           HG       LEU  84   0.654  15.953   7.536
  609   HD11  LEU  84          HD11      LEU  84   2.869  16.151   6.367
  610   HD12  LEU  84          HD12      LEU  84   3.654  15.687   7.895
  611   HD13  LEU  84          HD13      LEU  84   2.528  14.583   7.110
  612   HD21  LEU  84          HD21      LEU  84   1.322  14.539   9.397
  613   HD22  LEU  84          HD22      LEU  84   2.351  15.823  10.060
  614   HD23  LEU  84          HD23      LEU  84   0.591  16.035   9.999
  615    H    LEU  85           H        LEU  85   4.020  19.363   7.245
  616    HA   LEU  85           HA       LEU  85   5.984  17.357   7.208
  617    HB2  LEU  85           HB2      LEU  85   5.419  18.880   5.340
  618    HB3  LEU  85           HB3      LEU  85   6.118  20.237   6.227
  619    HG   LEU  85           HG       LEU  85   8.357  19.222   6.086
  620   HD11  LEU  85          HD11      LEU  85   7.854  16.824   6.081
  621   HD12  LEU  85          HD12      LEU  85   6.989  16.976   4.535
  622   HD13  LEU  85          HD13      LEU  85   8.745  17.238   4.619
  623   HD21  LEU  85          HD21      LEU  85   6.944  19.272   3.383
  624   HD22  LEU  85          HD22      LEU  85   7.519  20.699   4.267
  625   HD23  LEU  85          HD23      LEU  85   8.683  19.505   3.675
  626    H    TYR  86           H        TYR  86   5.913  20.436   8.988
  627    HA   TYR  86           HA       TYR  86   8.390  19.626  10.453
  628    HB2  TYR  86           HB2      TYR  86   7.635  22.438   9.587
  629    HB3  TYR  86           HB3      TYR  86   9.090  21.959  10.441
  630    HD1  TYR  86           HD2      TYR  86  10.563  20.079   9.171
  631    HD2  TYR  86           HD1      TYR  86   7.816  22.822   7.283
  632    HE1  TYR  86           HE2      TYR  86  11.797  19.835   7.042
  633    HE2  TYR  86           HE1      TYR  86   9.058  22.602   5.151
  634    HH   TYR  86           HH       TYR  86  11.951  20.489   4.808
  635    H    GLY  87           H        GLY  87   5.130  20.905  10.578
  636    HA2  GLY  87           HA2      GLY  87   5.380  22.236  13.120
  637    HA3  GLY  87           HA3      GLY  87   3.914  21.947  12.207
  638    H    GLU  88           H        GLU  88   2.962  21.591  14.306
  639    HA   GLU  88           HA       GLU  88   3.994  19.640  16.140
  640    HB2  GLU  88           HB2      GLU  88   1.301  21.070  16.003
  641    HB3  GLU  88           HB3      GLU  88   1.861  20.121  17.378
  642    HG2  GLU  88           HG2      GLU  88   3.174  22.663  16.321
  643    HG3  GLU  88           HG3      GLU  88   2.151  22.536  17.742
  644    H    GLU  89           H        GLU  89   1.909  19.318  13.350
  645    HA   GLU  89           HA       GLU  89   0.549  16.949  14.388
  646    HB2  GLU  89           HB2      GLU  89  -0.339  18.756  12.734
  647    HB3  GLU  89           HB3      GLU  89   0.596  17.910  11.513
  648    HG2  GLU  89           HG2      GLU  89  -1.684  17.164  11.411
  649    HG3  GLU  89           HG3      GLU  89  -0.726  15.824  12.009
  650    H    LYS  90           H        LYS  90   3.661  17.530  13.183
  651    HA   LYS  90           HA       LYS  90   4.207  15.367  11.476
  652    HB2  LYS  90           HB2      LYS  90   5.661  17.361  11.986
  653    HB3  LYS  90           HB3      LYS  90   6.085  16.605  13.528
  654    HG2  LYS  90           HG2      LYS  90   7.056  14.673  12.295
  655    HG3  LYS  90           HG3      LYS  90   6.556  15.413  10.758
  656    HD2  LYS  90           HD2      LYS  90   7.994  17.412  11.314
  657    HD3  LYS  90           HD3      LYS  90   8.515  16.587  12.783
  658    HE2  LYS  90           HE2      LYS  90  10.231  16.315  11.134
  659    HE3  LYS  90           HE3      LYS  90   9.476  14.742  11.400
  660    HZ1  LYS  90           HZ1      LYS  90   8.818  16.555   9.139
  661    HZ2  LYS  90           HZ2      LYS  90   9.853  15.285   9.038
  662    HZ3  LYS  90           HZ3      LYS  90   8.273  15.020   9.338
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  -4.264   5.166  -1.496
    2    H2   MET   1           H2       MET   1  -3.798   4.172  -0.270
    3    H3   MET   1           H3       MET   1  -4.760   5.463   0.031
    4    HA   MET   1           HA       MET   1  -2.539   5.965   0.751
    5    HB2  MET   1           HB2      MET   1  -1.832   5.388  -2.166
    6    HB3  MET   1           HB3      MET   1  -0.790   6.267  -1.051
    7    HG2  MET   1           HG2      MET   1  -1.710   3.395  -0.710
    8    HG3  MET   1           HG3      MET   1  -0.123   3.924  -1.239
    9    HE1  MET   1           HE1      MET   1   0.776   6.267   0.693
   10    HE2  MET   1           HE2      MET   1   1.569   5.313   1.963
   11    HE3  MET   1           HE3      MET   1   1.762   4.850   0.259
   12    H    CYS   2           H        CYS   2  -2.647   8.121   1.153
   13    HA   CYS   2           HA       CYS   2  -4.298   9.829  -0.503
   14    HB2  CYS   2           HB2      CYS   2  -2.676  10.440   2.009
   15    HB3  CYS   2           HB3      CYS   2  -3.920  11.470   1.291
   16    HG   CYS   2           HG       CYS   2  -4.872  10.321   3.442
   17    H    ILE   3           H        ILE   3  -2.499   9.240  -2.291
   18    HA   ILE   3           HA       ILE   3  -0.557  11.495  -2.408
   19    HB   ILE   3           HB       ILE   3   1.068   9.983  -3.442
   20   HG12  ILE   3          HG12      ILE   3  -0.938   7.743  -2.910
   21   HG13  ILE   3          HG13      ILE   3  -0.501   8.374  -4.487
   22   HG21  ILE   3          HG21      ILE   3   0.137   8.803  -0.797
   23   HG22  ILE   3          HG22      ILE   3   1.785   8.840  -1.457
   24   HG23  ILE   3          HG23      ILE   3   1.006  10.344  -0.965
   25   HD11  ILE   3          HD11      ILE   3   1.867   7.636  -4.098
   26   HD12  ILE   3          HD12      ILE   3   1.326   6.854  -2.592
   27   HD13  ILE   3          HD13      ILE   3   0.680   6.317  -4.151
   28    H    GLY   4           H        GLY   4  -3.247  11.222  -3.481
   29    HA2  GLY   4           HA2      GLY   4  -3.199  10.822  -6.340
   30    HA3  GLY   4           HA3      GLY   4  -4.488  11.554  -5.383
   31    H    VAL   5           H        VAL   5  -1.530  12.137  -7.198
   32    HA   VAL   5           HA       VAL   5  -2.127  15.045  -7.284
   33    HB   VAL   5           HB       VAL   5   0.638  13.858  -6.779
   34   HG11  VAL   5          HG11      VAL   5   1.356  16.172  -6.357
   35   HG12  VAL   5          HG12      VAL   5   0.691  16.047  -7.982
   36   HG13  VAL   5          HG13      VAL   5  -0.281  16.771  -6.677
   37   HG21  VAL   5          HG21      VAL   5   0.536  14.938  -4.531
   38   HG22  VAL   5          HG22      VAL   5  -1.181  15.307  -4.805
   39   HG23  VAL   5          HG23      VAL   5  -0.619  13.626  -4.695
   40    HA   PRO   6           HA       PRO   6  -1.278  14.018 -11.593
   41    HB2  PRO   6           HB2      PRO   6  -0.928  16.490 -12.713
   42    HB3  PRO   6           HB3      PRO   6  -2.527  15.905 -12.156
   43    HG2  PRO   6           HG2      PRO   6  -0.553  17.615 -10.640
   44    HG3  PRO   6           HG3      PRO   6  -2.298  17.937 -10.915
   45    HD2  PRO   6           HD2      PRO   6  -1.460  16.816  -8.621
   46    HD3  PRO   6           HD3      PRO   6  -2.937  16.207  -9.414
   47    H    GLY   7           H        GLY   7   0.473  14.005 -13.160
   48    HA2  GLY   7           HA2      GLY   7   2.880  15.549 -12.730
   49    HA3  GLY   7           HA3      GLY   7   3.100  13.828 -12.373
   50    H    GLN   8           H        GLN   8   4.603  14.696 -14.370
   51    HA   GLN   8           HA       GLN   8   3.196  14.263 -16.962
   52    HB2  GLN   8           HB2      GLN   8   4.762  16.235 -16.640
   53    HB3  GLN   8           HB3      GLN   8   6.086  15.080 -16.436
   54    HG2  GLN   8           HG2      GLN   8   5.578  14.160 -18.727
   55    HG3  GLN   8           HG3      GLN   8   4.265  15.332 -18.866
   56   HE21  GLN   8          HE22      GLN   8   5.025  16.557 -20.578
   57   HE22  GLN   8          HE21      GLN   8   6.524  17.472 -20.526
   58    H    ILE   9           H        ILE   9   3.610  12.368 -18.145
   59    HA   ILE   9           HA       ILE   9   5.096  10.175 -16.912
   60    HB   ILE   9           HB       ILE   9   4.098  10.329 -19.785
   61   HG12  ILE   9          HG12      ILE   9   2.519   9.267 -17.399
   62   HG13  ILE   9          HG13      ILE   9   2.159  10.762 -18.276
   63   HG21  ILE   9          HG21      ILE   9   4.620   7.997 -17.877
   64   HG22  ILE   9          HG22      ILE   9   4.198   7.870 -19.593
   65   HG23  ILE   9          HG23      ILE   9   5.756   8.543 -19.129
   66   HD11  ILE   9          HD11      ILE   9   0.687   9.092 -19.138
   67   HD12  ILE   9          HD12      ILE   9   1.904   9.423 -20.368
   68   HD13  ILE   9          HD13      ILE   9   1.996   7.938 -19.385
   69    H    ARG  10           H        ARG  10   7.220  10.822 -16.654
   70    HA   ARG  10           HA       ARG  10   8.463  12.527 -18.652
   71    HB2  ARG  10           HB2      ARG  10   8.715  12.600 -16.064
   72    HB3  ARG  10           HB3      ARG  10   9.790  11.214 -16.245
   73    HG2  ARG  10           HG2      ARG  10  11.123  13.198 -16.094
   74    HG3  ARG  10           HG3      ARG  10  11.245  12.623 -17.760
   75    HD2  ARG  10           HD2      ARG  10   9.615  14.349 -18.484
   76    HD3  ARG  10           HD3      ARG  10   9.390  14.856 -16.798
   77    HE   ARG  10           HE       ARG  10  12.151  14.982 -17.456
   78   HH11  ARG  10          HH12      ARG  10   9.118  16.720 -18.233
   79   HH12  ARG  10          HH11      ARG  10   9.924  18.219 -18.514
   80   HH21  ARG  10          HH21      ARG  10  13.180  16.987 -17.850
   81   HH22  ARG  10          HH22      ARG  10  12.266  18.372 -18.305
   82    H    THR  11           H        THR  11   8.623   9.087 -17.733
   83    HA   THR  11           HA       THR  11  10.076   8.490 -20.222
   84    HB   THR  11           HB       THR  11  11.033   7.217 -17.654
   85    HG1  THR  11           HG1      THR  11  12.585   8.772 -17.363
   86   HG21  THR  11          HG21      THR  11  13.169   7.034 -18.912
   87   HG22  THR  11          HG22      THR  11  11.833   6.275 -19.780
   88   HG23  THR  11          HG23      THR  11  12.424   7.872 -20.291
   89    H    ILE  12           H        ILE  12   9.784   6.187 -20.781
   90    HA   ILE  12           HA       ILE  12   7.744   4.698 -19.235
   91    HB   ILE  12           HB       ILE  12   7.672   5.203 -22.244
   92   HG12  ILE  12          HG12      ILE  12   5.795   6.068 -20.008
   93   HG13  ILE  12          HG13      ILE  12   6.803   7.118 -20.997
   94   HG21  ILE  12          HG21      ILE  12   7.006   2.873 -21.715
   95   HG22  ILE  12          HG22      ILE  12   5.817   3.473 -20.536
   96   HG23  ILE  12          HG23      ILE  12   5.641   3.801 -22.275
   97   HD11  ILE  12          HD11      ILE  12   4.592   7.352 -21.801
   98   HD12  ILE  12          HD12      ILE  12   5.452   6.390 -23.010
   99   HD13  ILE  12          HD13      ILE  12   4.326   5.608 -21.873
  100    H    ASP  13           H        ASP  13   8.145   2.469 -19.278
  101    HA   ASP  13           HA       ASP  13  10.643   1.573 -20.679
  102    HB2  ASP  13           HB2      ASP  13  10.989   1.878 -18.273
  103    HB3  ASP  13           HB3      ASP  13   9.592   0.858 -17.920
  104    H    GLY  14           H        GLY  14   7.252   0.960 -20.029
  105    HA2  GLY  14           HA2      GLY  14   6.810  -0.889 -22.047
  106    HA3  GLY  14           HA3      GLY  14   7.195  -1.850 -20.599
  107    H    ASN  15           H        ASN  15   5.250  -2.504 -19.743
  108    HA   ASN  15           HA       ASN  15   2.866  -0.873 -19.679
  109    HB2  ASN  15           HB2      ASN  15   1.932  -2.534 -18.236
  110    HB3  ASN  15           HB3      ASN  15   2.809  -3.359 -19.516
  111   HD21  ASN  15          HD22      ASN  15   2.466  -3.030 -16.043
  112   HD22  ASN  15          HD21      ASN  15   3.810  -4.078 -15.650
  113    H    GLN  16           H        GLN  16   5.775  -0.323 -18.097
  114    HA   GLN  16           HA       GLN  16   4.409   1.186 -15.955
  115    HB2  GLN  16           HB2      GLN  16   7.031  -0.342 -15.676
  116    HB3  GLN  16           HB3      GLN  16   6.372   0.792 -14.489
  117    HG2  GLN  16           HG2      GLN  16   4.342  -0.646 -14.269
  118    HG3  GLN  16           HG3      GLN  16   5.089  -1.828 -15.345
  119   HE21  GLN  16          HE22      GLN  16   4.328  -1.743 -12.296
  120   HE22  GLN  16          HE21      GLN  16   5.752  -2.401 -11.535
  121    H    ALA  17           H        ALA  17   5.565   3.060 -15.280
  122    HA   ALA  17           HA       ALA  17   7.517   4.260 -17.127
  123    HB1  ALA  17           HB1      ALA  17   5.329   4.554 -18.234
  124    HB2  ALA  17           HB2      ALA  17   4.632   5.210 -16.729
  125    HB3  ALA  17           HB3      ALA  17   5.884   6.111 -17.592
  126    H    LYS  18           H        LYS  18   8.082   6.467 -16.357
  127    HA   LYS  18           HA       LYS  18   7.883   6.716 -13.370
  128    HB2  LYS  18           HB2      LYS  18  10.102   7.185 -15.337
  129    HB3  LYS  18           HB3      LYS  18   9.843   8.483 -14.189
  130    HG2  LYS  18           HG2      LYS  18  11.537   6.895 -13.405
  131    HG3  LYS  18           HG3      LYS  18  10.184   7.084 -12.298
  132    HD2  LYS  18           HD2      LYS  18  10.918   4.778 -12.380
  133    HD3  LYS  18           HD3      LYS  18   9.260   4.929 -12.958
  134    HE2  LYS  18           HE2      LYS  18  10.014   4.747 -15.290
  135    HE3  LYS  18           HE3      LYS  18  11.703   4.676 -14.763
  136    HZ1  LYS  18           HZ1      LYS  18   9.652   2.692 -13.922
  137    HZ2  LYS  18           HZ2      LYS  18  10.672   2.465 -15.201
  138    HZ3  LYS  18           HZ3      LYS  18  11.266   2.598 -13.689
  139    H    VAL  19           H        VAL  19   6.247   8.050 -12.892
  140    HA   VAL  19           HA       VAL  19   5.717  10.357 -14.678
  141    HB   VAL  19           HB       VAL  19   4.186   9.124 -12.364
  142   HG11  VAL  19          HG11      VAL  19   3.902  11.573 -12.214
  143   HG12  VAL  19          HG12      VAL  19   3.513  11.643 -13.949
  144   HG13  VAL  19          HG13      VAL  19   2.423  10.820 -12.817
  145   HG21  VAL  19          HG21      VAL  19   4.035   8.019 -14.632
  146   HG22  VAL  19          HG22      VAL  19   2.499   8.718 -14.109
  147   HG23  VAL  19          HG23      VAL  19   3.489   9.562 -15.307
  148    H    ASP  20           H        ASP  20   6.611  12.302 -14.170
  149    HA   ASP  20           HA       ASP  20   7.983  12.664 -11.556
  150    HB2  ASP  20           HB2      ASP  20   9.305  13.468 -13.391
  151    HB3  ASP  20           HB3      ASP  20   7.923  14.301 -14.112
  152    H    VAL  21           H        VAL  21   6.628  13.196 -10.006
  153    HA   VAL  21           HA       VAL  21   4.175  14.771 -10.449
  154    HB   VAL  21           HB       VAL  21   5.307  13.394  -7.972
  155   HG11  VAL  21          HG11      VAL  21   3.078  13.645  -7.000
  156   HG12  VAL  21          HG12      VAL  21   3.694  15.246  -7.396
  157   HG13  VAL  21          HG13      VAL  21   2.497  14.477  -8.453
  158   HG21  VAL  21          HG21      VAL  21   3.386  11.779  -8.445
  159   HG22  VAL  21          HG22      VAL  21   3.184  12.573 -10.008
  160   HG23  VAL  21          HG23      VAL  21   4.694  11.712  -9.628
  161    H    CYS  22           H        CYS  22   5.897  16.287 -11.340
  162    HA   CYS  22           HA       CYS  22   7.258  18.088 -11.269
  163    HB2  CYS  22           HB2      CYS  22   5.011  18.958  -9.413
  164    HB3  CYS  22           HB3      CYS  22   6.072  20.032 -10.338
  165    HG   CYS  22           HG       CYS  22   3.783  19.974 -11.525
  166    H    GLY  23           H        GLY  23   8.652  16.390  -9.664
  167    HA2  GLY  23           HA2      GLY  23  10.493  17.804  -8.389
  168    HA3  GLY  23           HA3      GLY  23   9.258  17.809  -7.120
  169    H    ILE  24           H        ILE  24   8.511  14.921  -8.227
  170    HA   ILE  24           HA       ILE  24  10.864  13.424  -7.413
  171    HB   ILE  24           HB       ILE  24   9.597  13.875  -5.277
  172   HG12  ILE  24          HG12      ILE  24   9.547  11.578  -4.426
  173   HG13  ILE  24          HG13      ILE  24   9.655  10.930  -6.059
  174   HG21  ILE  24          HG21      ILE  24   7.474  12.759  -4.847
  175   HG22  ILE  24          HG22      ILE  24   7.294  13.836  -6.243
  176   HG23  ILE  24          HG23      ILE  24   7.464  12.081  -6.489
  177   HD11  ILE  24          HD11      ILE  24  11.777  12.683  -4.734
  178   HD12  ILE  24          HD12      ILE  24  11.819  10.911  -4.814
  179   HD13  ILE  24          HD13      ILE  24  11.927  11.856  -6.304
  180    H    GLN  25           H        GLN  25  10.798  11.305  -8.249
  181    HA   GLN  25           HA       GLN  25   8.839  10.966 -10.465
  182    HB2  GLN  25           HB2      GLN  25  11.582   9.719 -10.015
  183    HB3  GLN  25           HB3      GLN  25  10.439   9.227 -11.274
  184    HG2  GLN  25           HG2      GLN  25  10.430  11.579 -12.150
  185    HG3  GLN  25           HG3      GLN  25  11.700  11.987 -10.995
  186   HE21  GLN  25          HE22      GLN  25  11.119  10.890 -14.169
  187   HE22  GLN  25          HE21      GLN  25  12.708  10.258 -14.513
  188    H    ARG  26           H        ARG  26   7.405   9.386 -10.353
  189    HA   ARG  26           HA       ARG  26   7.607   7.304  -8.203
  190    HB2  ARG  26           HB2      ARG  26   5.295   9.089  -9.058
  191    HB3  ARG  26           HB3      ARG  26   5.005   7.510  -8.317
  192    HG2  ARG  26           HG2      ARG  26   6.049   8.112  -6.272
  193    HG3  ARG  26           HG3      ARG  26   6.845   9.520  -6.973
  194    HD2  ARG  26           HD2      ARG  26   4.976  10.111  -5.470
  195    HD3  ARG  26           HD3      ARG  26   4.831  10.760  -7.103
  196    HE   ARG  26           HE       ARG  26   3.455   8.265  -6.967
  197   HH11  ARG  26          HH11      ARG  26   3.031  11.540  -5.609
  198   HH12  ARG  26          HH12      ARG  26   1.291  11.427  -5.644
  199   HH21  ARG  26          HH21      ARG  26   1.138   8.219  -6.996
  200   HH22  ARG  26          HH22      ARG  26   0.245   9.642  -6.517
  201    H    ASP  27           H        ASP  27   7.776   5.357  -9.126
  202    HA   ASP  27           HA       ASP  27   7.244   4.923 -11.954
  203    HB2  ASP  27           HB2      ASP  27   9.029   3.681 -10.792
  204    HB3  ASP  27           HB3      ASP  27   7.840   2.964  -9.704
  205    H    VAL  28           H        VAL  28   5.324   4.231 -12.830
  206    HA   VAL  28           HA       VAL  28   3.275   3.060 -11.075
  207    HB   VAL  28           HB       VAL  28   1.525   4.478 -12.085
  208   HG11  VAL  28          HG11      VAL  28   1.803   6.378 -10.663
  209   HG12  VAL  28          HG12      VAL  28   2.533   4.998  -9.840
  210   HG13  VAL  28          HG13      VAL  28   3.568   6.200 -10.636
  211   HG21  VAL  28          HG21      VAL  28   2.728   5.231 -14.130
  212   HG22  VAL  28          HG22      VAL  28   2.035   6.564 -13.211
  213   HG23  VAL  28          HG23      VAL  28   3.782   6.238 -13.116
  214    H    ASP  29           H        ASP  29   1.669   1.872 -12.258
  215    HA   ASP  29           HA       ASP  29   2.607   0.766 -14.831
  216    HB2  ASP  29           HB2      ASP  29   1.851  -0.719 -13.039
  217    HB3  ASP  29           HB3      ASP  29   0.291   0.088 -13.004
  218    H    LEU  30           H        LEU  30   1.382   0.938 -16.763
  219    HA   LEU  30           HA       LEU  30  -0.445   3.308 -16.857
  220    HB2  LEU  30           HB2      LEU  30   1.444   2.195 -18.966
  221    HB3  LEU  30           HB3      LEU  30   0.312   3.512 -19.221
  222    HG   LEU  30           HG       LEU  30   2.788   3.555 -17.476
  223   HD11  LEU  30          HD11      LEU  30   3.364   5.432 -19.048
  224   HD12  LEU  30          HD12      LEU  30   3.146   3.883 -19.880
  225   HD13  LEU  30          HD13      LEU  30   1.872   5.126 -19.936
  226   HD21  LEU  30          HD21      LEU  30   2.211   5.950 -17.011
  227   HD22  LEU  30          HD22      LEU  30   0.601   5.671 -17.710
  228   HD23  LEU  30          HD23      LEU  30   1.115   4.811 -16.234
  229    H    THR  31           H        THR  31  -0.829   0.009 -16.866
  230    HA   THR  31           HA       THR  31  -2.032  -0.533 -19.340
  231    HB   THR  31           HB       THR  31  -2.805  -1.826 -16.699
  232    HG1  THR  31           HG1      THR  31  -0.696  -1.786 -16.621
  233   HG21  THR  31          HG21      THR  31  -4.030  -2.710 -18.645
  234   HG22  THR  31          HG22      THR  31  -2.507  -2.944 -19.529
  235   HG23  THR  31          HG23      THR  31  -2.861  -3.904 -18.073
  236    H    LEU  32           H        LEU  32  -3.400   1.209 -16.589
  237    HA   LEU  32           HA       LEU  32  -6.170   0.947 -17.302
  238    HB2  LEU  32           HB2      LEU  32  -4.753   3.202 -15.833
  239    HB3  LEU  32           HB3      LEU  32  -6.494   2.969 -15.908
  240    HG   LEU  32           HG       LEU  32  -4.480   1.177 -14.508
  241   HD11  LEU  32          HD11      LEU  32  -6.798   2.839 -13.430
  242   HD12  LEU  32          HD12      LEU  32  -5.643   1.881 -12.477
  243   HD13  LEU  32          HD13      LEU  32  -5.090   3.308 -13.370
  244   HD21  LEU  32          HD21      LEU  32  -7.488   0.778 -14.819
  245   HD22  LEU  32          HD22      LEU  32  -6.201  -0.296 -15.417
  246   HD23  LEU  32          HD23      LEU  32  -6.450  -0.112 -13.682
  247    H    VAL  33           H        VAL  33  -3.604   2.812 -18.771
  248    HA   VAL  33           HA       VAL  33  -5.598   4.324 -20.396
  249    HB   VAL  33           HB       VAL  33  -4.027   6.221 -20.368
  250   HG11  VAL  33          HG11      VAL  33  -4.861   5.380 -17.553
  251   HG12  VAL  33          HG12      VAL  33  -4.515   7.022 -18.105
  252   HG13  VAL  33          HG13      VAL  33  -5.913   6.150 -18.761
  253   HG21  VAL  33          HG21      VAL  33  -2.500   4.749 -18.173
  254   HG22  VAL  33          HG22      VAL  33  -1.905   5.018 -19.823
  255   HG23  VAL  33          HG23      VAL  33  -2.207   6.396 -18.759
  256    H    GLY  34           H        GLY  34  -2.966   2.159 -20.413
  257    HA2  GLY  34           HA2      GLY  34  -1.945   1.075 -22.176
  258    HA3  GLY  34           HA3      GLY  34  -2.649   2.211 -23.339
  259    H    SER  35           H        SER  35   0.277   1.304 -22.590
  260    HA   SER  35           HA       SER  35   1.588   3.685 -21.716
  261    HB2  SER  35           HB2      SER  35   2.730   1.363 -23.317
  262    HB3  SER  35           HB3      SER  35   3.629   2.538 -22.338
  263    HG   SER  35           HG       SER  35   3.395   0.927 -20.989
  264    H    CYS  36           H        CYS  36   0.095   3.032 -24.715
  265    HA   CYS  36           HA       CYS  36   1.684   5.159 -26.054
  266    HB2  CYS  36           HB2      CYS  36   0.342   2.730 -27.312
  267    HB3  CYS  36           HB3      CYS  36   1.080   4.072 -28.200
  268    HG   CYS  36           HG       CYS  36   2.661   1.971 -28.261
  269    H    ASP  37           H        ASP  37   0.544   6.622 -27.262
  270    HA   ASP  37           HA       ASP  37  -2.186   7.189 -26.324
  271    HB2  ASP  37           HB2      ASP  37  -0.401   8.957 -26.510
  272    HB3  ASP  37           HB3      ASP  37  -0.370   8.682 -28.258
  273    H    GLU  38           H        GLU  38  -3.878   7.692 -27.896
  274    HA   GLU  38           HA       GLU  38  -4.489   5.803 -29.851
  275    HB2  GLU  38           HB2      GLU  38  -5.289   8.731 -29.562
  276    HB3  GLU  38           HB3      GLU  38  -6.089   7.579 -30.645
  277    HG2  GLU  38           HG2      GLU  38  -6.634   6.144 -28.667
  278    HG3  GLU  38           HG3      GLU  38  -5.941   7.381 -27.609
  279    H    ASN  39           H        ASN  39  -2.596   8.831 -30.157
  280    HA   ASN  39           HA       ASN  39  -2.651   8.914 -33.000
  281    HB2  ASN  39           HB2      ASN  39  -2.090  10.801 -31.397
  282    HB3  ASN  39           HB3      ASN  39  -0.494  10.076 -31.204
  283   HD21  ASN  39          HD22      ASN  39  -2.822  11.166 -33.748
  284   HD22  ASN  39          HD21      ASN  39  -1.609  11.774 -34.844
  285    H    GLY  40           H        GLY  40  -0.971   6.688 -30.980
  286    HA2  GLY  40           HA2      GLY  40  -0.100   4.758 -31.896
  287    HA3  GLY  40           HA3      GLY  40   0.265   5.575 -33.412
  288    H    GLN  41           H        GLN  41   1.330   6.713 -30.156
  289    HA   GLN  41           HA       GLN  41   3.919   5.450 -30.462
  290    HB2  GLN  41           HB2      GLN  41   5.292   7.284 -30.674
  291    HB3  GLN  41           HB3      GLN  41   3.987   7.724 -31.742
  292    HG2  GLN  41           HG2      GLN  41   4.551   8.803 -28.955
  293    HG3  GLN  41           HG3      GLN  41   4.703   9.651 -30.476
  294   HE21  GLN  41          HE22      GLN  41   2.702   9.309 -27.814
  295   HE22  GLN  41          HE21      GLN  41   1.199   9.876 -28.535
  296    HA   PRO  42           HA       PRO  42   3.782   5.291 -26.034
  297    HB2  PRO  42           HB2      PRO  42   6.321   6.910 -25.909
  298    HB3  PRO  42           HB3      PRO  42   5.889   5.410 -25.022
  299    HG2  PRO  42           HG2      PRO  42   7.494   5.271 -27.184
  300    HG3  PRO  42           HG3      PRO  42   6.165   4.081 -26.984
  301    HD2  PRO  42           HD2      PRO  42   6.220   6.569 -28.700
  302    HD3  PRO  42           HD3      PRO  42   5.630   4.927 -29.110
  303    H    ARG  43           H        ARG  43   3.063   6.523 -24.193
  304    HA   ARG  43           HA       ARG  43   2.032   9.153 -24.769
  305    HB2  ARG  43           HB2      ARG  43   2.061   7.527 -22.184
  306    HB3  ARG  43           HB3      ARG  43   1.201   9.052 -22.426
  307    HG2  ARG  43           HG2      ARG  43  -0.064   7.983 -24.318
  308    HG3  ARG  43           HG3      ARG  43   0.595   6.428 -23.786
  309    HD2  ARG  43           HD2      ARG  43  -0.368   6.746 -21.544
  310    HD3  ARG  43           HD3      ARG  43  -0.966   8.347 -21.983
  311    HE   ARG  43           HE       ARG  43  -2.092   5.750 -22.644
  312   HH11  ARG  43          HH11      ARG  43  -1.978   9.154 -23.681
  313   HH12  ARG  43          HH12      ARG  43  -3.269   9.015 -24.807
  314   HH21  ARG  43          HH21      ARG  43  -4.074   5.671 -23.716
  315   HH22  ARG  43          HH22      ARG  43  -4.690   7.024 -24.619
  316    H    VAL  44           H        VAL  44   5.066   9.007 -24.734
  317    HA   VAL  44           HA       VAL  44   6.063  10.035 -22.264
  318    HB   VAL  44           HB       VAL  44   8.009  10.753 -23.711
  319   HG11  VAL  44          HG11      VAL  44   7.152   7.836 -23.856
  320   HG12  VAL  44          HG12      VAL  44   8.805   8.452 -24.045
  321   HG13  VAL  44          HG13      VAL  44   7.973   8.632 -22.496
  322   HG21  VAL  44          HG21      VAL  44   6.874  11.010 -25.903
  323   HG22  VAL  44          HG22      VAL  44   8.224   9.875 -25.976
  324   HG23  VAL  44          HG23      VAL  44   6.563   9.264 -25.953
  325    H    GLY  45           H        GLY  45   6.077  12.033 -21.417
  326    HA2  GLY  45           HA2      GLY  45   6.100  14.324 -21.348
  327    HA3  GLY  45           HA3      GLY  45   5.778  14.415 -23.082
  328    H    GLN  46           H        GLN  46   3.360  12.365 -22.201
  329    HA   GLN  46           HA       GLN  46   1.348  14.474 -21.968
  330    HB2  GLN  46           HB2      GLN  46   1.106  11.446 -21.668
  331    HB3  GLN  46           HB3      GLN  46  -0.234  12.593 -21.723
  332    HG2  GLN  46           HG2      GLN  46   0.554  13.329 -24.003
  333    HG3  GLN  46           HG3      GLN  46   1.701  11.986 -23.995
  334   HE21  GLN  46          HE22      GLN  46  -0.441  12.321 -25.922
  335   HE22  GLN  46          HE21      GLN  46  -1.598  11.016 -25.685
  336    H    TRP  47           H        TRP  47  -0.315  14.220 -20.092
  337    HA   TRP  47           HA       TRP  47   1.165  13.925 -17.523
  338    HB2  TRP  47           HB2      TRP  47  -0.929  15.959 -18.357
  339    HB3  TRP  47           HB3      TRP  47  -0.365  15.721 -16.711
  340    HD1  TRP  47           HD1      TRP  47   1.173  16.635 -20.150
  341    HE1  TRP  47           HE1      TRP  47   3.088  18.285 -19.798
  342    HE3  TRP  47           HE3      TRP  47   1.161  16.751 -15.046
  343    HZ2  TRP  47           HZ2      TRP  47   4.487  19.491 -17.541
  344    HZ3  TRP  47           HZ3      TRP  47   2.772  18.166 -13.816
  345    HH2  TRP  47           HH2      TRP  47   4.445  19.538 -15.047
  346    H    VAL  48           H        VAL  48   0.003  13.129 -15.754
  347    HA   VAL  48           HA       VAL  48  -2.627  11.890 -16.229
  348    HB   VAL  48           HB       VAL  48  -1.664   9.728 -15.252
  349   HG11  VAL  48          HG11      VAL  48  -0.816   8.838 -17.397
  350   HG12  VAL  48          HG12      VAL  48  -2.333   9.709 -17.541
  351   HG13  VAL  48          HG13      VAL  48  -0.817  10.483 -18.066
  352   HG21  VAL  48          HG21      VAL  48   1.017  10.851 -16.168
  353   HG22  VAL  48          HG22      VAL  48   0.524  10.607 -14.487
  354   HG23  VAL  48          HG23      VAL  48   0.689   9.215 -15.565
  355    H    LEU  49           H        LEU  49  -3.576  11.137 -14.284
  356    HA   LEU  49           HA       LEU  49  -2.691  12.489 -11.775
  357    HB2  LEU  49           HB2      LEU  49  -5.072  10.722 -12.496
  358    HB3  LEU  49           HB3      LEU  49  -4.789  11.385 -10.886
  359    HG   LEU  49           HG       LEU  49  -5.243  13.060 -13.393
  360   HD11  LEU  49          HD11      LEU  49  -7.188  12.325 -11.167
  361   HD12  LEU  49          HD12      LEU  49  -7.514  13.413 -12.537
  362   HD13  LEU  49          HD13      LEU  49  -7.211  11.692 -12.826
  363   HD21  LEU  49          HD21      LEU  49  -4.006  14.282 -11.621
  364   HD22  LEU  49          HD22      LEU  49  -5.642  14.909 -11.825
  365   HD23  LEU  49          HD23      LEU  49  -5.263  13.854 -10.443
  366    H    VAL  50           H        VAL  50  -1.666  11.211 -10.121
  367    HA   VAL  50           HA       VAL  50  -1.690   8.262 -10.518
  368    HB   VAL  50           HB       VAL  50   0.690   8.282  -9.655
  369   HG11  VAL  50          HG11      VAL  50   0.184   9.399 -12.444
  370   HG12  VAL  50          HG12      VAL  50   1.642   8.543 -11.897
  371   HG13  VAL  50          HG13      VAL  50   0.090   7.692 -11.962
  372   HG21  VAL  50          HG21      VAL  50   0.782  11.136 -10.730
  373   HG22  VAL  50          HG22      VAL  50   0.868  10.707  -9.013
  374   HG23  VAL  50          HG23      VAL  50   2.135  10.164 -10.122
  375    H    HIS  51           H        HIS  51  -2.378   7.249  -8.771
  376    HA   HIS  51           HA       HIS  51  -2.420   8.685  -6.148
  377    HB2  HIS  51           HB2      HIS  51  -4.443   9.121  -7.658
  378    HB3  HIS  51           HB3      HIS  51  -4.845   7.420  -7.496
  379    HD1  HIS  51           HD1      HIS  51  -4.065   7.672  -4.123
  380    HD2  HIS  51           HD2      HIS  51  -6.813   9.732  -6.569
  381    HE1  HIS  51           HE1      HIS  51  -5.844   8.613  -2.573
  382    H    VAL  52           H        VAL  52  -2.658   5.581  -7.906
  383    HA   VAL  52           HA       VAL  52  -2.413   4.131  -5.313
  384    HB   VAL  52           HB       VAL  52  -4.064   2.507  -6.224
  385   HG11  VAL  52          HG11      VAL  52  -5.218   5.314  -6.023
  386   HG12  VAL  52          HG12      VAL  52  -6.043   3.777  -5.717
  387   HG13  VAL  52          HG13      VAL  52  -4.738   4.304  -4.644
  388   HG21  VAL  52          HG21      VAL  52  -4.678   4.605  -8.365
  389   HG22  VAL  52          HG22      VAL  52  -3.859   3.053  -8.663
  390   HG23  VAL  52          HG23      VAL  52  -5.526   3.078  -8.081
  391    H    GLY  53           H        GLY  53  -0.369   4.791  -7.458
  392    HA2  GLY  53           HA2      GLY  53   1.504   3.626  -8.190
  393    HA3  GLY  53           HA3      GLY  53   0.736   2.091  -7.777
  394    H    PHE  54           H        PHE  54  -1.303   4.125  -9.679
  395    HA   PHE  54           HA       PHE  54  -0.422   2.990 -12.255
  396    HB2  PHE  54           HB2      PHE  54  -3.265   2.933 -11.146
  397    HB3  PHE  54           HB3      PHE  54  -2.844   2.667 -12.824
  398    HD1  PHE  54           HD2      PHE  54  -2.386   1.223  -9.392
  399    HD2  PHE  54           HD1      PHE  54  -2.312   0.518 -13.646
  400    HE1  PHE  54           HE2      PHE  54  -2.215  -1.215  -8.986
  401    HE2  PHE  54           HE1      PHE  54  -2.165  -1.917 -13.238
  402    HZ   PHE  54           HZ       PHE  54  -2.106  -2.794 -10.908
  403    H    ALA  55           H        ALA  55  -1.085   4.344 -14.019
  404    HA   ALA  55           HA       ALA  55  -1.583   7.169 -13.435
  405    HB1  ALA  55           HB1      ALA  55  -0.315   6.643 -15.420
  406    HB2  ALA  55           HB2      ALA  55  -1.584   5.536 -16.012
  407    HB3  ALA  55           HB3      ALA  55  -1.890   7.280 -15.936
  408    H    MET  56           H        MET  56  -3.512   7.645 -12.542
  409    HA   MET  56           HA       MET  56  -5.741   5.847 -12.638
  410    HB2  MET  56           HB2      MET  56  -5.088   7.280 -10.710
  411    HB3  MET  56           HB3      MET  56  -5.572   8.715 -11.617
  412    HG2  MET  56           HG2      MET  56  -7.896   7.887 -11.700
  413    HG3  MET  56           HG3      MET  56  -7.405   6.414 -10.849
  414    HE1  MET  56           HE1      MET  56  -9.578   8.275  -8.172
  415    HE2  MET  56           HE2      MET  56  -9.837   8.236  -9.931
  416    HE3  MET  56           HE3      MET  56  -9.323   6.764  -9.073
  417    H    SER  57           H        SER  57  -5.068   8.985 -14.294
  418    HA   SER  57           HA       SER  57  -6.689   8.188 -16.538
  419    HB2  SER  57           HB2      SER  57  -7.520  10.624 -14.882
  420    HB3  SER  57           HB3      SER  57  -8.097  10.280 -16.519
  421    HG   SER  57           HG       SER  57  -8.351   8.184 -14.754
  422    H    VAL  58           H        VAL  58  -6.241   9.620 -18.364
  423    HA   VAL  58           HA       VAL  58  -3.729  11.145 -18.193
  424    HB   VAL  58           HB       VAL  58  -5.610  10.815 -20.567
  425   HG11  VAL  58          HG11      VAL  58  -2.620  11.425 -20.433
  426   HG12  VAL  58          HG12      VAL  58  -3.578  11.232 -21.915
  427   HG13  VAL  58          HG13      VAL  58  -3.899  12.591 -20.840
  428   HG21  VAL  58          HG21      VAL  58  -5.006   8.551 -19.927
  429   HG22  VAL  58          HG22      VAL  58  -4.076   8.995 -21.348
  430   HG23  VAL  58          HG23      VAL  58  -3.292   9.005 -19.754
  431    H    ILE  59           H        ILE  59  -3.632  13.409 -18.534
  432    HA   ILE  59           HA       ILE  59  -6.138  14.963 -18.576
  433    HB   ILE  59           HB       ILE  59  -5.350  16.423 -16.770
  434   HG12  ILE  59          HG12      ILE  59  -3.086  14.429 -16.430
  435   HG13  ILE  59          HG13      ILE  59  -2.969  16.134 -16.887
  436   HG21  ILE  59          HG21      ILE  59  -6.015  15.052 -14.910
  437   HG22  ILE  59          HG22      ILE  59  -6.916  14.513 -16.325
  438   HG23  ILE  59          HG23      ILE  59  -5.529  13.562 -15.750
  439   HD11  ILE  59          HD11      ILE  59  -3.750  14.991 -14.187
  440   HD12  ILE  59          HD12      ILE  59  -2.322  15.944 -14.613
  441   HD13  ILE  59          HD13      ILE  59  -3.931  16.710 -14.620
  442    H    ASN  60           H        ASN  60  -5.666  17.261 -19.154
  443    HA   ASN  60           HA       ASN  60  -3.568  17.367 -21.198
  444    HB2  ASN  60           HB2      ASN  60  -5.797  18.560 -21.403
  445    HB3  ASN  60           HB3      ASN  60  -5.222  19.672 -20.144
  446   HD21  ASN  60          HD22      ASN  60  -5.343  21.513 -21.585
  447   HD22  ASN  60          HD21      ASN  60  -4.154  21.714 -22.840
  448    H    GLU  61           H        GLU  61  -2.014  19.119 -21.264
  449    HA   GLU  61           HA       GLU  61  -0.152  19.152 -19.172
  450    HB2  GLU  61           HB2      GLU  61  -0.627  21.179 -21.400
  451    HB3  GLU  61           HB3      GLU  61   0.903  20.921 -20.535
  452    HG2  GLU  61           HG2      GLU  61   0.920  18.562 -21.461
  453    HG3  GLU  61           HG3      GLU  61  -0.519  18.965 -22.399
  454    H    ALA  62           H        ALA  62  -2.695  21.530 -20.006
  455    HA   ALA  62           HA       ALA  62  -1.888  23.415 -17.924
  456    HB1  ALA  62           HB1      ALA  62  -3.847  24.686 -18.683
  457    HB2  ALA  62           HB2      ALA  62  -2.850  24.188 -20.062
  458    HB3  ALA  62           HB3      ALA  62  -4.368  23.329 -19.700
  459    H    GLU  63           H        GLU  63  -4.308  20.874 -18.367
  460    HA   GLU  63           HA       GLU  63  -6.015  21.452 -16.160
  461    HB2  GLU  63           HB2      GLU  63  -6.588  20.063 -18.100
  462    HB3  GLU  63           HB3      GLU  63  -5.357  18.880 -17.639
  463    HG2  GLU  63           HG2      GLU  63  -6.604  18.287 -15.633
  464    HG3  GLU  63           HG3      GLU  63  -7.781  19.573 -15.956
  465    H    ALA  64           H        ALA  64  -2.976  19.565 -16.473
  466    HA   ALA  64           HA       ALA  64  -2.868  18.537 -13.835
  467    HB1  ALA  64           HB1      ALA  64  -1.293  17.917 -15.659
  468    HB2  ALA  64           HB2      ALA  64  -0.582  19.543 -15.596
  469    HB3  ALA  64           HB3      ALA  64  -0.439  18.462 -14.198
  470    H    ARG  65           H        ARG  65  -1.985  21.800 -15.081
  471    HA   ARG  65           HA       ARG  65  -0.783  22.613 -12.567
  472    HB2  ARG  65           HB2      ARG  65  -1.893  24.603 -14.552
  473    HB3  ARG  65           HB3      ARG  65  -0.494  24.745 -13.499
  474    HG2  ARG  65           HG2      ARG  65  -0.760  23.142 -16.052
  475    HG3  ARG  65           HG3      ARG  65   0.202  24.590 -15.816
  476    HD2  ARG  65           HD2      ARG  65   1.791  23.401 -14.430
  477    HD3  ARG  65           HD3      ARG  65   0.770  21.959 -14.380
  478    HE   ARG  65           HE       ARG  65   0.996  21.769 -16.825
  479   HH11  ARG  65          HH11      ARG  65   3.593  23.443 -15.051
  480   HH12  ARG  65          HH12      ARG  65   4.750  23.282 -16.318
  481   HH21  ARG  65          HH21      ARG  65   2.530  21.562 -18.493
  482   HH22  ARG  65          HH22      ARG  65   4.125  22.197 -18.329
  483    H    ASP  66           H        ASP  66  -3.997  23.053 -14.098
  484    HA   ASP  66           HA       ASP  66  -5.158  24.618 -12.021
  485    HB2  ASP  66           HB2      ASP  66  -6.229  24.322 -14.197
  486    HB3  ASP  66           HB3      ASP  66  -6.421  22.592 -13.906
  487    H    THR  67           H        THR  67  -4.863  21.062 -12.413
  488    HA   THR  67           HA       THR  67  -6.302  20.398 -10.041
  489    HB   THR  67           HB       THR  67  -4.146  18.834 -11.512
  490    HG1  THR  67           HG1      THR  67  -5.748  19.330 -12.925
  491   HG21  THR  67          HG21      THR  67  -4.699  17.857  -9.290
  492   HG22  THR  67          HG22      THR  67  -6.422  17.880  -9.712
  493   HG23  THR  67          HG23      THR  67  -5.289  16.844 -10.609
  494    H    LEU  68           H        LEU  68  -2.762  21.016 -10.603
  495    HA   LEU  68           HA       LEU  68  -1.977  20.454  -7.905
  496    HB2  LEU  68           HB2      LEU  68  -0.804  22.305 -10.021
  497    HB3  LEU  68           HB3      LEU  68  -0.070  22.093  -8.439
  498    HG   LEU  68           HG       LEU  68  -0.545  19.818 -10.387
  499   HD11  LEU  68          HD11      LEU  68   2.023  21.343  -9.819
  500   HD12  LEU  68          HD12      LEU  68   1.844  19.918 -10.871
  501   HD13  LEU  68          HD13      LEU  68   1.058  21.440 -11.309
  502   HD21  LEU  68          HD21      LEU  68   1.109  19.966  -7.826
  503   HD22  LEU  68          HD22      LEU  68  -0.369  19.012  -8.068
  504   HD23  LEU  68          HD23      LEU  68   1.094  18.598  -8.958
  505    H    ASP  69           H        ASP  69  -3.179  23.471  -9.466
  506    HA   ASP  69           HA       ASP  69  -2.851  25.071  -7.134
  507    HB2  ASP  69           HB2      ASP  69  -3.221  26.030  -9.363
  508    HB3  ASP  69           HB3      ASP  69  -4.898  25.459  -9.324
  509    H    ALA  70           H        ALA  70  -5.651  23.086  -8.254
  510    HA   ALA  70           HA       ALA  70  -7.357  23.740  -6.073
  511    HB1  ALA  70           HB1      ALA  70  -7.181  21.133  -7.647
  512    HB2  ALA  70           HB2      ALA  70  -8.540  21.665  -6.640
  513    HB3  ALA  70           HB3      ALA  70  -8.125  22.569  -8.110
  514    H    LEU  71           H        LEU  71  -4.832  21.208  -6.406
  515    HA   LEU  71           HA       LEU  71  -5.312  19.892  -3.964
  516    HB2  LEU  71           HB2      LEU  71  -3.924  19.096  -5.893
  517    HB3  LEU  71           HB3      LEU  71  -2.658  20.216  -5.440
  518    HG   LEU  71           HG       LEU  71  -2.239  17.883  -4.816
  519   HD11  LEU  71          HD11      LEU  71  -1.323  18.201  -2.657
  520   HD12  LEU  71          HD12      LEU  71  -1.203  19.755  -3.496
  521   HD13  LEU  71          HD13      LEU  71  -2.455  19.492  -2.255
  522   HD21  LEU  71          HD21      LEU  71  -4.578  17.225  -4.295
  523   HD22  LEU  71          HD22      LEU  71  -3.415  16.742  -3.054
  524   HD23  LEU  71          HD23      LEU  71  -4.473  18.134  -2.769
  525    H    GLN  72           H        GLN  72  -2.909  22.541  -4.672
  526    HA   GLN  72           HA       GLN  72  -2.186  22.757  -1.906
  527    HB2  GLN  72           HB2      GLN  72  -0.988  24.753  -2.469
  528    HB3  GLN  72           HB3      GLN  72  -0.715  23.531  -3.716
  529    HG2  GLN  72           HG2      GLN  72  -2.396  24.661  -5.143
  530    HG3  GLN  72           HG3      GLN  72  -2.611  25.921  -3.932
  531   HE21  GLN  72          HE22      GLN  72  -2.046  27.047  -6.224
  532   HE22  GLN  72          HE21      GLN  72  -0.348  27.445  -6.374
  533    H    ASN  73           H        ASN  73  -4.854  24.157  -3.761
  534    HA   ASN  73           HA       ASN  73  -5.389  26.327  -1.966
  535    HB2  ASN  73           HB2      ASN  73  -6.273  26.211  -4.296
  536    HB3  ASN  73           HB3      ASN  73  -7.315  24.860  -3.824
  537   HD21  ASN  73          HD22      ASN  73  -6.623  28.315  -3.340
  538   HD22  ASN  73          HD21      ASN  73  -8.182  28.730  -2.670
  539    H    MET  74           H        MET  74  -6.472  22.935  -2.164
  540    HA   MET  74           HA       MET  74  -8.487  22.916  -0.284
  541    HB2  MET  74           HB2      MET  74  -7.721  21.064  -1.798
  542    HB3  MET  74           HB3      MET  74  -6.393  20.730  -0.683
  543    HG2  MET  74           HG2      MET  74  -9.320  20.706   0.094
  544    HG3  MET  74           HG3      MET  74  -8.451  19.295  -0.507
  545    HE1  MET  74           HE1      MET  74  -9.016  18.405   3.273
  546    HE2  MET  74           HE2      MET  74 -10.113  19.360   2.250
  547    HE3  MET  74           HE3      MET  74  -9.298  17.923   1.588
  548    H    PHE  75           H        PHE  75  -5.015  22.262   0.440
  549    HA   PHE  75           HA       PHE  75  -5.599  22.316   3.273
  550    HB2  PHE  75           HB2      PHE  75  -3.211  22.058   3.646
  551    HB3  PHE  75           HB3      PHE  75  -3.886  20.863   2.569
  552    HD1  PHE  75           HD1      PHE  75  -1.998  24.141   2.467
  553    HD2  PHE  75           HD2      PHE  75  -2.673  20.278   0.654
  554    HE1  PHE  75           HE1      PHE  75  -0.066  24.501   0.963
  555    HE2  PHE  75           HE2      PHE  75  -0.701  20.624  -0.802
  556    HZ   PHE  75           HZ       PHE  75   0.604  22.739  -0.661
  557    H    ASP  76           H        ASP  76  -4.898  24.869   0.995
  558    HA   ASP  76           HA       ASP  76  -3.943  26.743   2.994
  559    HB2  ASP  76           HB2      ASP  76  -3.442  27.041   0.611
  560    HB3  ASP  76           HB3      ASP  76  -5.161  27.231   0.254
  561    H    VAL  77           H        VAL  77  -7.180  25.783   1.773
  562    HA   VAL  77           HA       VAL  77  -8.386  27.925   3.434
  563    HB   VAL  77           HB       VAL  77 -10.357  27.718   2.152
  564   HG11  VAL  77          HG11      VAL  77  -7.992  27.721   0.237
  565   HG12  VAL  77          HG12      VAL  77  -9.579  28.470  -0.009
  566   HG13  VAL  77          HG13      VAL  77  -8.499  29.091   1.249
  567   HG21  VAL  77          HG21      VAL  77 -10.511  26.221   0.141
  568   HG22  VAL  77          HG22      VAL  77  -9.123  25.313   0.771
  569   HG23  VAL  77          HG23      VAL  77 -10.625  25.399   1.694
  570    H    GLU  78           H        GLU  78  -7.947  24.476   3.533
  571    HA   GLU  78           HA       GLU  78  -9.610  24.446   6.007
  572    HB2  GLU  78           HB2      GLU  78  -9.401  22.261   3.896
  573    HB3  GLU  78           HB3      GLU  78 -10.156  22.063   5.473
  574    HG2  GLU  78           HG2      GLU  78 -11.095  23.935   3.278
  575    HG3  GLU  78           HG3      GLU  78 -11.811  22.394   3.716
  576    HA   PRO  79           HA       PRO  79  -5.080  23.150   6.425
  577    HB2  PRO  79           HB2      PRO  79  -4.296  24.876   8.434
  578    HB3  PRO  79           HB3      PRO  79  -4.201  25.256   6.690
  579    HG2  PRO  79           HG2      PRO  79  -6.388  26.015   8.647
  580    HG3  PRO  79           HG3      PRO  79  -5.557  27.061   7.450
  581    HD2  PRO  79           HD2      PRO  79  -7.979  25.965   6.917
  582    HD3  PRO  79           HD3      PRO  79  -6.722  26.080   5.648
  583    H    ASP  80           H        ASP  80  -7.725  23.665   8.680
  584    HA   ASP  80           HA       ASP  80  -6.811  22.330  10.974
  585    HB2  ASP  80           HB2      ASP  80  -8.875  23.650  10.855
  586    HB3  ASP  80           HB3      ASP  80  -9.597  22.462   9.767
  587    H    VAL  81           H        VAL  81  -7.715  20.975   7.860
  588    HA   VAL  81           HA       VAL  81  -7.164  18.257   8.960
  589    HB   VAL  81           HB       VAL  81  -9.509  18.414   8.418
  590   HG11  VAL  81          HG11      VAL  81  -8.701  19.169   5.579
  591   HG12  VAL  81          HG12      VAL  81 -10.336  18.743   6.119
  592   HG13  VAL  81          HG13      VAL  81  -9.559  20.194   6.751
  593   HG21  VAL  81          HG21      VAL  81  -9.723  16.496   6.957
  594   HG22  VAL  81          HG22      VAL  81  -8.087  16.741   6.314
  595   HG23  VAL  81          HG23      VAL  81  -8.319  16.280   8.014
  596    H    GLY  82           H        GLY  82  -6.618  20.632   6.348
  597    HA2  GLY  82           HA2      GLY  82  -5.046  19.159   4.602
  598    HA3  GLY  82           HA3      GLY  82  -4.838  20.879   4.986
  599    H    ALA  83           H        ALA  83  -4.054  20.642   7.753
  600    HA   ALA  83           HA       ALA  83  -1.279  20.093   7.454
  601    HB1  ALA  83           HB1      ALA  83  -2.931  20.439   9.995
  602    HB2  ALA  83           HB2      ALA  83  -1.166  20.594   9.858
  603    HB3  ALA  83           HB3      ALA  83  -2.218  21.758   9.034
  604    H    LEU  84           H        LEU  84  -3.772  17.808   7.837
  605    HA   LEU  84           HA       LEU  84  -1.880  15.824   9.032
  606    HB2  LEU  84           HB2      LEU  84  -3.839  16.310  10.462
  607    HB3  LEU  84           HB3      LEU  84  -4.922  15.943   9.120
  608    HG   LEU  84           HG       LEU  84  -4.151  13.587   9.105
  609   HD11  LEU  84          HD11      LEU  84  -1.858  13.805   9.960
  610   HD12  LEU  84          HD12      LEU  84  -2.470  14.425  11.512
  611   HD13  LEU  84          HD13      LEU  84  -2.781  12.744  11.019
  612   HD21  LEU  84          HD21      LEU  84  -6.096  14.254  10.466
  613   HD22  LEU  84          HD22      LEU  84  -5.212  12.920  11.219
  614   HD23  LEU  84          HD23      LEU  84  -5.031  14.572  11.853
  615    H    LEU  85           H        LEU  85  -4.510  16.357   6.628
  616    HA   LEU  85           HA       LEU  85  -4.180  13.862   5.291
  617    HB2  LEU  85           HB2      LEU  85  -6.193  15.304   5.188
  618    HB3  LEU  85           HB3      LEU  85  -5.278  16.531   4.311
  619    HG   LEU  85           HG       LEU  85  -5.004  15.005   2.394
  620   HD11  LEU  85          HD11      LEU  85  -4.967  12.806   3.472
  621   HD12  LEU  85          HD12      LEU  85  -6.639  13.020   4.038
  622   HD13  LEU  85          HD13      LEU  85  -6.284  12.864   2.303
  623   HD21  LEU  85          HD21      LEU  85  -7.343  14.993   1.669
  624   HD22  LEU  85          HD22      LEU  85  -7.897  15.157   3.351
  625   HD23  LEU  85          HD23      LEU  85  -7.001  16.476   2.573
  626    H    TYR  86           H        TYR  86  -2.556  17.003   4.958
  627    HA   TYR  86           HA       TYR  86  -0.653  15.878   2.979
  628    HB2  TYR  86           HB2      TYR  86  -1.933  18.642   2.884
  629    HB3  TYR  86           HB3      TYR  86  -0.738  18.011   1.764
  630    HD1  TYR  86           HD1      TYR  86  -1.423  15.720   0.542
  631    HD2  TYR  86           HD2      TYR  86  -4.189  18.579   2.211
  632    HE1  TYR  86           HE1      TYR  86  -3.200  14.869  -0.958
  633    HE2  TYR  86           HE2      TYR  86  -5.955  17.774   0.680
  634    HH   TYR  86           HH       TYR  86  -6.526  16.237  -0.982
  635    H    GLY  87           H        GLY  87  -0.379  16.051   5.872
  636    HA2  GLY  87           HA2      GLY  87   2.025  17.656   6.106
  637    HA3  GLY  87           HA3      GLY  87   0.666  18.294   7.035
  638    H    GLU  88           H        GLU  88   2.166  17.783   8.863
  639    HA   GLU  88           HA       GLU  88   2.240  14.900   9.628
  640    HB2  GLU  88           HB2      GLU  88   4.395  17.022   9.985
  641    HB3  GLU  88           HB3      GLU  88   4.501  15.353  10.536
  642    HG2  GLU  88           HG2      GLU  88   4.393  16.300   7.646
  643    HG3  GLU  88           HG3      GLU  88   5.798  15.695   8.506
  644    H    GLU  89           H        GLU  89   0.268  17.046  10.388
  645    HA   GLU  89           HA       GLU  89   0.701  18.067  12.946
  646    HB2  GLU  89           HB2      GLU  89  -1.150  18.697  11.494
  647    HB3  GLU  89           HB3      GLU  89  -1.849  17.084  11.615
  648    HG2  GLU  89           HG2      GLU  89  -3.068  18.726  12.956
  649    HG3  GLU  89           HG3      GLU  89  -2.415  17.430  13.944
  650    H    LYS  90           H        LYS  90   0.042  14.702  12.084
  651    HA   LYS  90           HA       LYS  90   0.547  13.906  14.838
  652    HB2  LYS  90           HB2      LYS  90  -1.965  14.017  14.662
  653    HB3  LYS  90           HB3      LYS  90  -1.888  12.854  13.326
  654    HG2  LYS  90           HG2      LYS  90  -0.871  11.175  14.825
  655    HG3  LYS  90           HG3      LYS  90  -0.877  12.349  16.159
  656    HD2  LYS  90           HD2      LYS  90  -3.354  12.462  16.044
  657    HD3  LYS  90           HD3      LYS  90  -3.346  11.291  14.706
  658    HE2  LYS  90           HE2      LYS  90  -2.251   9.617  16.183
  659    HE3  LYS  90           HE3      LYS  90  -2.257  10.782  17.514
  660    HZ1  LYS  90           HZ1      LYS  90  -4.683  10.758  17.435
  661    HZ2  LYS  90           HZ2      LYS  90  -4.677   9.679  16.205
  662    HZ3  LYS  90           HZ3      LYS  90  -4.111   9.252  17.671
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -0.716   3.336   1.088
    2    H2   MET   1           H2       MET   1  -0.222   3.869   2.562
    3    H3   MET   1           H3       MET   1  -1.622   4.418   1.911
    4    HA   MET   1           HA       MET   1   0.047   6.097   1.723
    5    HB2  MET   1           HB2      MET   1   1.995   4.558   1.706
    6    HB3  MET   1           HB3      MET   1   1.568   4.022   0.078
    7    HG2  MET   1           HG2      MET   1   3.374   5.678   0.057
    8    HG3  MET   1           HG3      MET   1   1.960   6.271  -0.804
    9    HE1  MET   1           HE1      MET   1   2.858   8.728  -0.840
   10    HE2  MET   1           HE2      MET   1   3.496   9.574   0.586
   11    HE3  MET   1           HE3      MET   1   4.344   8.147  -0.051
   12    H    CYS   2           H        CYS   2  -0.424   7.630   0.166
   13    HA   CYS   2           HA       CYS   2  -1.524   6.782  -2.450
   14    HB2  CYS   2           HB2      CYS   2  -2.847   8.707  -0.472
   15    HB3  CYS   2           HB3      CYS   2  -3.301   8.547  -2.172
   16    HG   CYS   2           HG       CYS   2  -5.051   7.356  -0.566
   17    H    ILE   3           H        ILE   3  -1.353   8.440  -4.002
   18    HA   ILE   3           HA       ILE   3   0.380  10.777  -3.431
   19    HB   ILE   3           HB       ILE   3   1.736  10.175  -5.455
   20   HG12  ILE   3          HG12      ILE   3   0.610   7.352  -5.119
   21   HG13  ILE   3          HG13      ILE   3   0.128   8.453  -6.407
   22   HG21  ILE   3          HG21      ILE   3   3.278   8.783  -4.243
   23   HG22  ILE   3          HG22      ILE   3   2.488   9.851  -3.087
   24   HG23  ILE   3          HG23      ILE   3   1.992   8.148  -3.201
   25   HD11  ILE   3          HD11      ILE   3   2.485   8.545  -7.211
   26   HD12  ILE   3          HD12      ILE   3   2.931   7.345  -5.970
   27   HD13  ILE   3          HD13      ILE   3   1.793   6.912  -7.250
   28    H    GLY   4           H        GLY   4  -2.240  11.046  -3.627
   29    HA2  GLY   4           HA2      GLY   4  -3.498  11.165  -6.173
   30    HA3  GLY   4           HA3      GLY   4  -4.049  11.892  -4.676
   31    H    VAL   5           H        VAL   5  -1.605  12.389  -7.266
   32    HA   VAL   5           HA       VAL   5  -2.098  15.305  -7.305
   33    HB   VAL   5           HB       VAL   5   0.651  14.021  -6.989
   34   HG11  VAL   5          HG11      VAL   5  -0.160  16.959  -6.891
   35   HG12  VAL   5          HG12      VAL   5   1.470  16.323  -6.589
   36   HG13  VAL   5          HG13      VAL   5   0.766  16.167  -8.188
   37   HG21  VAL   5          HG21      VAL   5   0.777  15.101  -4.740
   38   HG22  VAL   5          HG22      VAL   5  -0.954  15.485  -4.864
   39   HG23  VAL   5          HG23      VAL   5  -0.396  13.797  -4.817
   40    HA   PRO   6           HA       PRO   6  -1.447  14.384 -11.730
   41    HB2  PRO   6           HB2      PRO   6  -0.132  17.108 -11.723
   42    HB3  PRO   6           HB3      PRO   6  -1.308  16.435 -12.887
   43    HG2  PRO   6           HG2      PRO   6  -2.113  18.193 -10.999
   44    HG3  PRO   6           HG3      PRO   6  -3.111  16.741 -11.345
   45    HD2  PRO   6           HD2      PRO   6  -1.149  17.192  -9.088
   46    HD3  PRO   6           HD3      PRO   6  -2.782  16.463  -9.032
   47    H    GLY   7           H        GLY   7   0.394  14.022 -13.240
   48    HA2  GLY   7           HA2      GLY   7   3.038  14.895 -12.462
   49    HA3  GLY   7           HA3      GLY   7   2.830  13.131 -12.398
   50    H    GLN   8           H        GLN   8   4.643  14.276 -14.160
   51    HA   GLN   8           HA       GLN   8   3.334  13.980 -16.834
   52    HB2  GLN   8           HB2      GLN   8   4.239  16.278 -16.300
   53    HB3  GLN   8           HB3      GLN   8   5.851  15.563 -16.198
   54    HG2  GLN   8           HG2      GLN   8   5.671  14.821 -18.567
   55    HG3  GLN   8           HG3      GLN   8   4.010  15.419 -18.628
   56   HE21  GLN   8          HE22      GLN   8   4.620  16.743 -20.472
   57   HE22  GLN   8          HE21      GLN   8   5.484  18.249 -20.222
   58    H    ILE   9           H        ILE   9   4.117  12.370 -18.106
   59    HA   ILE   9           HA       ILE   9   5.830  10.360 -16.915
   60    HB   ILE   9           HB       ILE   9   4.648  10.667 -19.708
   61   HG12  ILE   9          HG12      ILE   9   3.752   8.859 -17.415
   62   HG13  ILE   9          HG13      ILE   9   3.004  10.417 -17.766
   63   HG21  ILE   9          HG21      ILE   9   5.175   8.270 -20.007
   64   HG22  ILE   9          HG22      ILE   9   6.652   9.166 -19.716
   65   HG23  ILE   9          HG23      ILE   9   5.935   8.217 -18.403
   66   HD11  ILE   9          HD11      ILE   9   1.661   8.633 -18.677
   67   HD12  ILE   9          HD12      ILE   9   2.322   9.631 -19.984
   68   HD13  ILE   9          HD13      ILE   9   3.011   8.022 -19.635
   69    H    ARG  10           H        ARG  10   8.007  10.484 -16.859
   70    HA   ARG  10           HA       ARG  10   9.455  12.182 -18.855
   71    HB2  ARG  10           HB2      ARG  10  10.185  10.957 -16.179
   72    HB3  ARG  10           HB3      ARG  10  11.452  11.267 -17.357
   73    HG2  ARG  10           HG2      ARG  10  11.313  13.122 -15.831
   74    HG3  ARG  10           HG3      ARG  10  10.896  13.643 -17.467
   75    HD2  ARG  10           HD2      ARG  10   8.501  13.632 -16.891
   76    HD3  ARG  10           HD3      ARG  10   8.864  12.958 -15.308
   77    HE   ARG  10           HE       ARG  10   9.852  14.997 -14.609
   78   HH11  ARG  10          HH11      ARG  10   8.665  15.430 -17.898
   79   HH12  ARG  10          HH12      ARG  10   7.893  16.956 -17.575
   80   HH21  ARG  10          HH21      ARG  10   8.841  17.035 -14.150
   81   HH22  ARG  10          HH22      ARG  10   8.262  17.987 -15.480
   82    H    THR  11           H        THR  11   8.928   8.770 -17.895
   83    HA   THR  11           HA       THR  11  10.432   7.895 -20.287
   84    HB   THR  11           HB       THR  11  10.989   6.593 -17.620
   85    HG1  THR  11           HG1      THR  11  12.709   7.961 -17.232
   86   HG21  THR  11          HG21      THR  11  13.196   6.132 -18.667
   87   HG22  THR  11          HG22      THR  11  11.866   5.512 -19.646
   88   HG23  THR  11          HG23      THR  11  12.686   7.016 -20.122
   89    H    ILE  12           H        ILE  12   9.925   5.681 -20.846
   90    HA   ILE  12           HA       ILE  12   7.804   4.313 -19.334
   91    HB   ILE  12           HB       ILE  12   7.736   4.752 -22.347
   92   HG12  ILE  12          HG12      ILE  12   5.913   5.726 -20.104
   93   HG13  ILE  12          HG13      ILE  12   6.911   6.711 -21.162
   94   HG21  ILE  12          HG21      ILE  12   5.859   3.108 -20.580
   95   HG22  ILE  12          HG22      ILE  12   5.692   3.375 -22.330
   96   HG23  ILE  12          HG23      ILE  12   7.041   2.444 -21.732
   97   HD11  ILE  12          HD11      ILE  12   4.692   6.946 -21.914
   98   HD12  ILE  12          HD12      ILE  12   5.500   5.912 -23.108
   99   HD13  ILE  12          HD13      ILE  12   4.391   5.207 -21.901
  100    H    ASP  13           H        ASP  13   8.218   2.117 -19.266
  101    HA   ASP  13           HA       ASP  13  10.752   1.165 -20.558
  102    HB2  ASP  13           HB2      ASP  13  10.984   1.559 -18.149
  103    HB3  ASP  13           HB3      ASP  13   9.571   0.552 -17.827
  104    H    GLY  14           H        GLY  14   7.340   0.617 -20.075
  105    HA2  GLY  14           HA2      GLY  14   6.993  -1.306 -22.043
  106    HA3  GLY  14           HA3      GLY  14   7.237  -2.208 -20.529
  107    H    ASN  15           H        ASN  15   5.253  -2.739 -19.727
  108    HA   ASN  15           HA       ASN  15   2.894  -1.085 -19.945
  109    HB2  ASN  15           HB2      ASN  15   3.060  -3.636 -19.509
  110    HB3  ASN  15           HB3      ASN  15   3.390  -3.211 -17.828
  111   HD21  ASN  15          HD22      ASN  15   1.528  -2.531 -16.487
  112   HD22  ASN  15          HD21      ASN  15  -0.071  -2.604 -17.151
  113    H    GLN  16           H        GLN  16   5.720  -0.631 -18.147
  114    HA   GLN  16           HA       GLN  16   4.354   1.054 -16.116
  115    HB2  GLN  16           HB2      GLN  16   6.855  -0.669 -15.850
  116    HB3  GLN  16           HB3      GLN  16   6.424   0.619 -14.719
  117    HG2  GLN  16           HG2      GLN  16   4.309  -0.495 -14.179
  118    HG3  GLN  16           HG3      GLN  16   4.660  -1.788 -15.335
  119   HE21  GLN  16          HE22      GLN  16   6.369  -0.098 -12.572
  120   HE22  GLN  16          HE21      GLN  16   6.884  -1.592 -11.821
  121    H    ALA  17           H        ALA  17   5.624   2.851 -15.420
  122    HA   ALA  17           HA       ALA  17   7.485   4.058 -17.348
  123    HB1  ALA  17           HB1      ALA  17   5.844   5.959 -17.646
  124    HB2  ALA  17           HB2      ALA  17   5.230   4.426 -18.288
  125    HB3  ALA  17           HB3      ALA  17   4.648   5.039 -16.723
  126    H    LYS  18           H        LYS  18   7.755   6.470 -16.553
  127    HA   LYS  18           HA       LYS  18   7.810   6.544 -13.569
  128    HB2  LYS  18           HB2      LYS  18  10.076   7.323 -15.459
  129    HB3  LYS  18           HB3      LYS  18  10.013   7.674 -13.727
  130    HG2  LYS  18           HG2      LYS  18   9.892   5.230 -13.237
  131    HG3  LYS  18           HG3      LYS  18  10.048   4.890 -14.971
  132    HD2  LYS  18           HD2      LYS  18  12.249   6.043 -14.998
  133    HD3  LYS  18           HD3      LYS  18  12.096   6.356 -13.254
  134    HE2  LYS  18           HE2      LYS  18  11.959   3.908 -12.833
  135    HE3  LYS  18           HE3      LYS  18  12.127   3.599 -14.565
  136    HZ1  LYS  18           HZ1      LYS  18  14.175   4.901 -12.861
  137    HZ2  LYS  18           HZ2      LYS  18  14.234   3.372 -13.415
  138    HZ3  LYS  18           HZ3      LYS  18  14.333   4.612 -14.464
  139    H    VAL  19           H        VAL  19   6.847   8.340 -12.822
  140    HA   VAL  19           HA       VAL  19   6.376  10.601 -14.682
  141    HB   VAL  19           HB       VAL  19   4.380  10.916 -13.093
  142   HG11  VAL  19          HG11      VAL  19   4.430   8.631 -15.088
  143   HG12  VAL  19          HG12      VAL  19   2.952   9.357 -14.413
  144   HG13  VAL  19          HG13      VAL  19   4.037  10.344 -15.387
  145   HG21  VAL  19          HG21      VAL  19   3.373   8.956 -12.066
  146   HG22  VAL  19          HG22      VAL  19   4.767   7.958 -12.522
  147   HG23  VAL  19          HG23      VAL  19   4.958   9.268 -11.350
  148    H    ASP  20           H        ASP  20   6.803  12.622 -13.893
  149    HA   ASP  20           HA       ASP  20   8.114  12.842 -11.219
  150    HB2  ASP  20           HB2      ASP  20   9.212  14.081 -12.960
  151    HB3  ASP  20           HB3      ASP  20   7.667  14.725 -13.551
  152    H    VAL  21           H        VAL  21   6.611  12.859  -9.644
  153    HA   VAL  21           HA       VAL  21   3.838  13.631 -10.165
  154    HB   VAL  21           HB       VAL  21   5.109  12.577  -7.600
  155   HG11  VAL  21          HG11      VAL  21   2.787  11.784  -7.134
  156   HG12  VAL  21          HG12      VAL  21   2.860  13.540  -7.271
  157   HG13  VAL  21          HG13      VAL  21   2.222  12.581  -8.621
  158   HG21  VAL  21          HG21      VAL  21   5.546  10.921  -9.333
  159   HG22  VAL  21          HG22      VAL  21   4.197  10.349  -8.352
  160   HG23  VAL  21          HG23      VAL  21   3.885  11.063  -9.948
  161    H    CYS  22           H        CYS  22   5.044  15.746 -10.729
  162    HA   CYS  22           HA       CYS  22   5.612  17.884 -10.374
  163    HB2  CYS  22           HB2      CYS  22   3.281  17.755  -8.426
  164    HB3  CYS  22           HB3      CYS  22   3.897  19.199  -9.248
  165    HG   CYS  22           HG       CYS  22   2.496  16.462 -10.472
  166    H    GLY  23           H        GLY  23   7.465  16.389  -9.005
  167    HA2  GLY  23           HA2      GLY  23   8.705  18.231  -7.410
  168    HA3  GLY  23           HA3      GLY  23   7.762  17.287  -6.245
  169    H    ILE  24           H        ILE  24   7.942  14.705  -7.468
  170    HA   ILE  24           HA       ILE  24  10.812  14.076  -7.627
  171    HB   ILE  24           HB       ILE  24  10.498  12.201  -5.994
  172   HG12  ILE  24          HG12      ILE  24   8.045  13.743  -5.032
  173   HG13  ILE  24          HG13      ILE  24   7.994  12.218  -5.924
  174   HG21  ILE  24          HG21      ILE  24  11.738  14.305  -5.523
  175   HG22  ILE  24          HG22      ILE  24  10.279  14.961  -4.740
  176   HG23  ILE  24          HG23      ILE  24  11.094  13.528  -4.077
  177   HD11  ILE  24          HD11      ILE  24   7.720  11.757  -3.579
  178   HD12  ILE  24          HD12      ILE  24   9.299  11.125  -4.102
  179   HD13  ILE  24          HD13      ILE  24   9.195  12.636  -3.161
  180    H    GLN  25           H        GLN  25  11.237  12.056  -8.526
  181    HA   GLN  25           HA       GLN  25   9.229  11.238 -10.476
  182    HB2  GLN  25           HB2      GLN  25  11.680  11.480 -10.988
  183    HB3  GLN  25           HB3      GLN  25  11.990  10.072  -9.957
  184    HG2  GLN  25           HG2      GLN  25  10.560   8.682 -11.444
  185    HG3  GLN  25           HG3      GLN  25  10.160  10.111 -12.403
  186   HE21  GLN  25          HE22      GLN  25  11.350  10.256 -14.297
  187   HE22  GLN  25          HE21      GLN  25  12.964   9.632 -14.512
  188    H    ARG  26           H        ARG  26   7.996   9.400 -10.384
  189    HA   ARG  26           HA       ARG  26   8.598   7.303  -8.344
  190    HB2  ARG  26           HB2      ARG  26   5.854   8.501  -8.965
  191    HB3  ARG  26           HB3      ARG  26   6.122   7.078  -7.981
  192    HG2  ARG  26           HG2      ARG  26   7.018   9.903  -7.260
  193    HG3  ARG  26           HG3      ARG  26   5.616   9.033  -6.629
  194    HD2  ARG  26           HD2      ARG  26   7.291   7.221  -5.854
  195    HD3  ARG  26           HD3      ARG  26   8.550   8.442  -6.149
  196    HE   ARG  26           HE       ARG  26   6.484   9.581  -4.561
  197   HH11  ARG  26          HH11      ARG  26   9.102   7.200  -4.280
  198   HH12  ARG  26          HH12      ARG  26   9.253   7.350  -2.570
  199   HH21  ARG  26          HH21      ARG  26   6.676   9.776  -2.264
  200   HH22  ARG  26          HH22      ARG  26   7.852   8.858  -1.408
  201    H    ASP  27           H        ASP  27   7.963   5.220  -8.999
  202    HA   ASP  27           HA       ASP  27   7.659   4.646 -11.847
  203    HB2  ASP  27           HB2      ASP  27   8.776   2.964 -10.611
  204    HB3  ASP  27           HB3      ASP  27   7.647   3.067  -9.262
  205    H    VAL  28           H        VAL  28   5.708   3.932 -12.859
  206    HA   VAL  28           HA       VAL  28   3.287   3.723 -11.252
  207    HB   VAL  28           HB       VAL  28   3.475   6.142 -11.850
  208   HG11  VAL  28          HG11      VAL  28   4.558   5.996 -14.068
  209   HG12  VAL  28          HG12      VAL  28   3.104   5.223 -14.734
  210   HG13  VAL  28          HG13      VAL  28   3.027   6.888 -14.149
  211   HG21  VAL  28          HG21      VAL  28   1.307   5.096 -11.417
  212   HG22  VAL  28          HG22      VAL  28   1.189   6.412 -12.596
  213   HG23  VAL  28          HG23      VAL  28   1.152   4.726 -13.155
  214    H    ASP  29           H        ASP  29   1.826   2.255 -12.196
  215    HA   ASP  29           HA       ASP  29   2.697   0.882 -14.678
  216    HB2  ASP  29           HB2      ASP  29   2.147  -0.476 -12.681
  217    HB3  ASP  29           HB3      ASP  29   0.521   0.218 -12.668
  218    H    LEU  30           H        LEU  30   1.389   0.785 -16.485
  219    HA   LEU  30           HA       LEU  30  -0.567   3.032 -16.676
  220    HB2  LEU  30           HB2      LEU  30   1.271   1.851 -18.790
  221    HB3  LEU  30           HB3      LEU  30   0.116   3.146 -19.050
  222    HG   LEU  30           HG       LEU  30   2.630   3.286 -17.355
  223   HD11  LEU  30          HD11      LEU  30   2.988   3.487 -19.762
  224   HD12  LEU  30          HD12      LEU  30   1.688   4.703 -19.890
  225   HD13  LEU  30          HD13      LEU  30   3.177   5.087 -19.025
  226   HD21  LEU  30          HD21      LEU  30   0.449   5.395 -17.693
  227   HD22  LEU  30          HD22      LEU  30   0.949   4.611 -16.174
  228   HD23  LEU  30          HD23      LEU  30   2.058   5.695 -17.009
  229    H    THR  31           H        THR  31  -1.053  -0.127 -16.207
  230    HA   THR  31           HA       THR  31  -2.322  -1.170 -18.437
  231    HB   THR  31           HB       THR  31  -3.246  -1.429 -15.540
  232    HG1  THR  31           HG1      THR  31  -1.151  -1.957 -15.619
  233   HG21  THR  31          HG21      THR  31  -3.942  -3.730 -16.228
  234   HG22  THR  31          HG22      THR  31  -4.888  -2.475 -17.031
  235   HG23  THR  31          HG23      THR  31  -3.596  -3.310 -17.922
  236    H    LEU  32           H        LEU  32  -3.670   1.284 -16.215
  237    HA   LEU  32           HA       LEU  32  -6.367   1.039 -17.228
  238    HB2  LEU  32           HB2      LEU  32  -5.081   3.268 -15.625
  239    HB3  LEU  32           HB3      LEU  32  -6.807   3.035 -15.849
  240    HG   LEU  32           HG       LEU  32  -4.934   1.177 -14.321
  241   HD11  LEU  32          HD11      LEU  32  -7.159   3.021 -13.354
  242   HD12  LEU  32          HD12      LEU  32  -6.191   1.922 -12.343
  243   HD13  LEU  32          HD13      LEU  32  -5.415   3.288 -13.155
  244   HD21  LEU  32          HD21      LEU  32  -7.010  -0.003 -13.612
  245   HD22  LEU  32          HD22      LEU  32  -7.947   0.974 -14.764
  246   HD23  LEU  32          HD23      LEU  32  -6.711  -0.167 -15.342
  247    H    VAL  33           H        VAL  33  -3.612   2.573 -18.613
  248    HA   VAL  33           HA       VAL  33  -5.346   4.398 -20.218
  249    HB   VAL  33           HB       VAL  33  -3.607   6.130 -20.005
  250   HG11  VAL  33          HG11      VAL  33  -5.617   6.159 -18.531
  251   HG12  VAL  33          HG12      VAL  33  -4.694   5.300 -17.279
  252   HG13  VAL  33          HG13      VAL  33  -4.200   6.922 -17.787
  253   HG21  VAL  33          HG21      VAL  33  -1.652   4.746 -19.387
  254   HG22  VAL  33          HG22      VAL  33  -1.920   6.068 -18.249
  255   HG23  VAL  33          HG23      VAL  33  -2.386   4.417 -17.799
  256    H    GLY  34           H        GLY  34  -2.695   2.137 -20.221
  257    HA2  GLY  34           HA2      GLY  34  -1.691   1.128 -22.029
  258    HA3  GLY  34           HA3      GLY  34  -2.433   2.282 -23.143
  259    H    SER  35           H        SER  35   0.425   1.372 -22.828
  260    HA   SER  35           HA       SER  35   1.952   3.632 -21.883
  261    HB2  SER  35           HB2      SER  35   3.776   2.225 -23.124
  262    HB3  SER  35           HB3      SER  35   3.024   1.597 -21.648
  263    HG   SER  35           HG       SER  35   3.112   0.027 -23.316
  264    H    CYS  36           H        CYS  36   0.274   2.951 -24.818
  265    HA   CYS  36           HA       CYS  36   1.717   5.164 -26.187
  266    HB2  CYS  36           HB2      CYS  36   0.230   2.812 -27.423
  267    HB3  CYS  36           HB3      CYS  36   0.890   4.195 -28.311
  268    HG   CYS  36           HG       CYS  36   2.450   2.112 -28.636
  269    H    ASP  37           H        ASP  37   0.330   6.477 -27.552
  270    HA   ASP  37           HA       ASP  37  -2.098   7.146 -26.030
  271    HB2  ASP  37           HB2      ASP  37  -1.561   9.332 -26.308
  272    HB3  ASP  37           HB3      ASP  37   0.056   8.639 -26.295
  273    H    GLU  38           H        GLU  38  -3.487   8.745 -27.350
  274    HA   GLU  38           HA       GLU  38  -5.068   7.217 -29.116
  275    HB2  GLU  38           HB2      GLU  38  -4.998  10.183 -28.379
  276    HB3  GLU  38           HB3      GLU  38  -6.281   9.441 -29.324
  277    HG2  GLU  38           HG2      GLU  38  -7.017   9.670 -27.049
  278    HG3  GLU  38           HG3      GLU  38  -6.893   7.969 -27.481
  279    H    ASN  39           H        ASN  39  -2.200   8.994 -29.869
  280    HA   ASN  39           HA       ASN  39  -3.077   9.662 -32.639
  281    HB2  ASN  39           HB2      ASN  39  -0.555  10.409 -31.093
  282    HB3  ASN  39           HB3      ASN  39  -0.893  10.840 -32.759
  283   HD21  ASN  39          HD22      ASN  39  -1.576  11.617 -29.405
  284   HD22  ASN  39          HD21      ASN  39  -2.589  13.012 -29.742
  285    H    GLY  40           H        GLY  40  -0.739   7.762 -30.728
  286    HA2  GLY  40           HA2      GLY  40  -0.391   5.457 -31.640
  287    HA3  GLY  40           HA3      GLY  40   0.046   6.216 -33.176
  288    H    GLN  41           H        GLN  41   1.012   7.574 -29.980
  289    HA   GLN  41           HA       GLN  41   3.832   6.774 -30.547
  290    HB2  GLN  41           HB2      GLN  41   4.583   8.983 -30.242
  291    HB3  GLN  41           HB3      GLN  41   3.150   9.153 -31.238
  292    HG2  GLN  41           HG2      GLN  41   1.976   9.480 -28.838
  293    HG3  GLN  41           HG3      GLN  41   3.596   9.926 -28.357
  294   HE21  GLN  41          HE22      GLN  41   0.760  11.301 -29.129
  295   HE22  GLN  41          HE21      GLN  41   1.323  12.745 -29.957
  296    HA   PRO  42           HA       PRO  42   3.812   5.598 -26.231
  297    HB2  PRO  42           HB2      PRO  42   6.313   6.289 -25.317
  298    HB3  PRO  42           HB3      PRO  42   5.989   4.888 -26.379
  299    HG2  PRO  42           HG2      PRO  42   6.945   7.652 -27.171
  300    HG3  PRO  42           HG3      PRO  42   7.584   6.063 -27.701
  301    HD2  PRO  42           HD2      PRO  42   5.845   7.490 -29.222
  302    HD3  PRO  42           HD3      PRO  42   5.750   5.707 -29.149
  303    H    ARG  43           H        ARG  43   3.235   6.582 -24.244
  304    HA   ARG  43           HA       ARG  43   2.422   9.304 -24.446
  305    HB2  ARG  43           HB2      ARG  43   2.419   7.462 -22.013
  306    HB3  ARG  43           HB3      ARG  43   1.606   9.023 -22.128
  307    HG2  ARG  43           HG2      ARG  43   0.336   8.071 -24.143
  308    HG3  ARG  43           HG3      ARG  43   0.903   6.485 -23.600
  309    HD2  ARG  43           HD2      ARG  43  -0.063   6.933 -21.348
  310    HD3  ARG  43           HD3      ARG  43  -0.653   8.504 -21.908
  311    HE   ARG  43           HE       ARG  43  -1.714   5.842 -22.472
  312   HH11  ARG  43          HH11      ARG  43  -1.701   9.231 -23.718
  313   HH12  ARG  43          HH12      ARG  43  -3.253   9.029 -24.497
  314   HH21  ARG  43          HH21      ARG  43  -3.791   5.742 -23.360
  315   HH22  ARG  43          HH22      ARG  43  -4.466   7.085 -24.268
  316    H    VAL  44           H        VAL  44   5.521   8.841 -24.289
  317    HA   VAL  44           HA       VAL  44   6.470  10.048 -21.871
  318    HB   VAL  44           HB       VAL  44   7.621   9.979 -24.696
  319   HG11  VAL  44          HG11      VAL  44   9.812  10.457 -23.595
  320   HG12  VAL  44          HG12      VAL  44   8.691  11.811 -23.459
  321   HG13  VAL  44          HG13      VAL  44   8.961  10.748 -22.062
  322   HG21  VAL  44          HG21      VAL  44   9.053   8.174 -23.821
  323   HG22  VAL  44          HG22      VAL  44   8.269   8.292 -22.234
  324   HG23  VAL  44          HG23      VAL  44   7.356   7.726 -23.650
  325    H    GLY  45           H        GLY  45   6.446  12.145 -21.208
  326    HA2  GLY  45           HA2      GLY  45   6.373  14.430 -21.332
  327    HA3  GLY  45           HA3      GLY  45   6.019  14.361 -23.063
  328    H    GLN  46           H        GLN  46   3.713  12.271 -22.034
  329    HA   GLN  46           HA       GLN  46   1.673  14.381 -21.916
  330    HB2  GLN  46           HB2      GLN  46   1.371  11.348 -21.786
  331    HB3  GLN  46           HB3      GLN  46   0.064  12.531 -21.928
  332    HG2  GLN  46           HG2      GLN  46   1.138  13.384 -24.043
  333    HG3  GLN  46           HG3      GLN  46   2.276  12.043 -23.973
  334   HE21  GLN  46          HE22      GLN  46   0.761  12.460 -26.193
  335   HE22  GLN  46          HE21      GLN  46  -0.392  11.179 -26.410
  336    H    TRP  47           H        TRP  47  -0.021  14.247 -20.172
  337    HA   TRP  47           HA       TRP  47   1.310  13.892 -17.533
  338    HB2  TRP  47           HB2      TRP  47  -0.918  15.764 -18.391
  339    HB3  TRP  47           HB3      TRP  47  -0.411  15.506 -16.732
  340    HD1  TRP  47           HD1      TRP  47   1.092  16.816 -20.042
  341    HE1  TRP  47           HE1      TRP  47   2.706  18.718 -19.539
  342    HE3  TRP  47           HE3      TRP  47   1.018  16.546 -14.933
  343    HZ2  TRP  47           HZ2      TRP  47   3.865  19.963 -17.175
  344    HZ3  TRP  47           HZ3      TRP  47   2.383  18.110 -13.580
  345    HH2  TRP  47           HH2      TRP  47   3.805  19.822 -14.684
  346    H    VAL  48           H        VAL  48   0.097  12.988 -15.853
  347    HA   VAL  48           HA       VAL  48  -2.474  11.709 -16.508
  348    HB   VAL  48           HB       VAL  48  -1.691   9.596 -15.430
  349   HG11  VAL  48          HG11      VAL  48  -0.175  10.258 -17.988
  350   HG12  VAL  48          HG12      VAL  48  -0.538   8.638 -17.365
  351   HG13  VAL  48          HG13      VAL  48  -1.853   9.691 -17.878
  352   HG21  VAL  48          HG21      VAL  48   0.686   9.036 -15.301
  353   HG22  VAL  48          HG22      VAL  48   1.138  10.671 -15.823
  354   HG23  VAL  48          HG23      VAL  48   0.334  10.418 -14.258
  355    H    LEU  49           H        LEU  49  -3.717  11.285 -14.632
  356    HA   LEU  49           HA       LEU  49  -2.872  12.731 -12.184
  357    HB2  LEU  49           HB2      LEU  49  -5.128  13.123 -13.138
  358    HB3  LEU  49           HB3      LEU  49  -5.490  11.409 -13.060
  359    HG   LEU  49           HG       LEU  49  -6.461  12.955 -11.327
  360   HD11  LEU  49          HD11      LEU  49  -6.556  10.552 -11.071
  361   HD12  LEU  49          HD12      LEU  49  -4.979  10.530 -10.251
  362   HD13  LEU  49          HD13      LEU  49  -6.363  11.341  -9.499
  363   HD21  LEU  49          HD21      LEU  49  -3.744  12.795  -9.962
  364   HD22  LEU  49          HD22      LEU  49  -4.384  14.237 -10.792
  365   HD23  LEU  49          HD23      LEU  49  -5.207  13.589  -9.366
  366    H    VAL  50           H        VAL  50  -1.934  11.458 -10.586
  367    HA   VAL  50           HA       VAL  50  -2.276   8.509 -10.765
  368    HB   VAL  50           HB       VAL  50  -0.089   9.115 -11.571
  369   HG11  VAL  50          HG11      VAL  50   1.646  10.111 -10.095
  370   HG12  VAL  50          HG12      VAL  50   0.388  11.246 -10.572
  371   HG13  VAL  50          HG13      VAL  50   0.375  10.549  -8.933
  372   HG21  VAL  50          HG21      VAL  50   1.296   7.736 -10.153
  373   HG22  VAL  50          HG22      VAL  50   0.162   7.905  -8.804
  374   HG23  VAL  50          HG23      VAL  50  -0.320   7.038 -10.279
  375    H    HIS  51           H        HIS  51  -2.151   7.491  -8.593
  376    HA   HIS  51           HA       HIS  51  -2.796   9.194  -6.315
  377    HB2  HIS  51           HB2      HIS  51  -4.932   9.023  -7.734
  378    HB3  HIS  51           HB3      HIS  51  -4.966   7.313  -7.314
  379    HD1  HIS  51           HD1      HIS  51  -4.368   7.509  -4.183
  380    HD2  HIS  51           HD2      HIS  51  -6.873  10.064  -6.405
  381    HE1  HIS  51           HE1      HIS  51  -6.032   8.512  -2.525
  382    H    VAL  52           H        VAL  52  -2.493   5.993  -7.758
  383    HA   VAL  52           HA       VAL  52  -1.142   5.038  -5.327
  384    HB   VAL  52           HB       VAL  52  -2.184   2.789  -5.679
  385   HG11  VAL  52          HG11      VAL  52  -4.243   3.239  -4.492
  386   HG12  VAL  52          HG12      VAL  52  -2.981   4.332  -3.901
  387   HG13  VAL  52          HG13      VAL  52  -4.235   4.936  -5.005
  388   HG21  VAL  52          HG21      VAL  52  -4.265   4.225  -7.396
  389   HG22  VAL  52          HG22      VAL  52  -3.020   3.131  -8.031
  390   HG23  VAL  52          HG23      VAL  52  -4.251   2.518  -6.922
  391    H    GLY  53           H        GLY  53  -0.346   2.551  -6.582
  392    HA2  GLY  53           HA2      GLY  53   1.747   3.479  -8.275
  393    HA3  GLY  53           HA3      GLY  53   1.326   1.798  -7.930
  394    H    PHE  54           H        PHE  54  -1.080   3.933  -9.447
  395    HA   PHE  54           HA       PHE  54  -0.624   2.741 -12.099
  396    HB2  PHE  54           HB2      PHE  54  -3.270   2.677 -10.590
  397    HB3  PHE  54           HB3      PHE  54  -3.100   2.401 -12.313
  398    HD1  PHE  54           HD2      PHE  54  -2.421   0.971  -8.951
  399    HD2  PHE  54           HD1      PHE  54  -2.232   0.314 -13.213
  400    HE1  PHE  54           HE2      PHE  54  -2.042  -1.450  -8.566
  401    HE2  PHE  54           HE1      PHE  54  -1.866  -2.104 -12.822
  402    HZ   PHE  54           HZ       PHE  54  -1.765  -2.994 -10.498
  403    H    ALA  55           H        ALA  55  -1.085   4.215 -13.701
  404    HA   ALA  55           HA       ALA  55  -1.705   6.996 -13.032
  405    HB1  ALA  55           HB1      ALA  55  -0.266   6.515 -14.952
  406    HB2  ALA  55           HB2      ALA  55  -1.516   5.476 -15.677
  407    HB3  ALA  55           HB3      ALA  55  -1.790   7.221 -15.535
  408    H    MET  56           H        MET  56  -3.783   7.644 -12.578
  409    HA   MET  56           HA       MET  56  -5.929   5.694 -12.765
  410    HB2  MET  56           HB2      MET  56  -6.045   8.630 -11.996
  411    HB3  MET  56           HB3      MET  56  -7.276   7.414 -11.671
  412    HG2  MET  56           HG2      MET  56  -4.495   7.615 -10.467
  413    HG3  MET  56           HG3      MET  56  -6.028   7.861  -9.650
  414    HE1  MET  56           HE1      MET  56  -7.433   4.220  -9.275
  415    HE2  MET  56           HE2      MET  56  -7.690   5.947  -8.941
  416    HE3  MET  56           HE3      MET  56  -7.807   5.331 -10.607
  417    H    SER  57           H        SER  57  -5.184   8.872 -14.324
  418    HA   SER  57           HA       SER  57  -6.635   8.041 -16.737
  419    HB2  SER  57           HB2      SER  57  -7.904  10.298 -16.637
  420    HB3  SER  57           HB3      SER  57  -8.499   8.957 -15.653
  421    HG   SER  57           HG       SER  57  -8.435  10.901 -14.477
  422    H    VAL  58           H        VAL  58  -6.133   9.391 -18.559
  423    HA   VAL  58           HA       VAL  58  -3.581  10.857 -18.394
  424    HB   VAL  58           HB       VAL  58  -5.431  10.492 -20.789
  425   HG11  VAL  58          HG11      VAL  58  -3.364  10.839 -22.104
  426   HG12  VAL  58          HG12      VAL  58  -3.679  12.229 -21.066
  427   HG13  VAL  58          HG13      VAL  58  -2.431  11.051 -20.607
  428   HG21  VAL  58          HG21      VAL  58  -3.991   8.611 -21.480
  429   HG22  VAL  58          HG22      VAL  58  -3.142   8.671 -19.919
  430   HG23  VAL  58          HG23      VAL  58  -4.869   8.238 -20.015
  431    H    ILE  59           H        ILE  59  -3.460  13.130 -18.709
  432    HA   ILE  59           HA       ILE  59  -5.985  14.652 -18.863
  433    HB   ILE  59           HB       ILE  59  -5.398  16.036 -16.971
  434   HG12  ILE  59          HG12      ILE  59  -3.035  14.181 -16.504
  435   HG13  ILE  59          HG13      ILE  59  -2.965  15.874 -17.008
  436   HG21  ILE  59          HG21      ILE  59  -6.042  14.593 -15.178
  437   HG22  ILE  59          HG22      ILE  59  -6.827  14.005 -16.638
  438   HG23  ILE  59          HG23      ILE  59  -5.398  13.159 -16.003
  439   HD11  ILE  59          HD11      ILE  59  -2.439  15.746 -14.686
  440   HD12  ILE  59          HD12      ILE  59  -4.028  16.532 -14.845
  441   HD13  ILE  59          HD13      ILE  59  -3.902  14.836 -14.313
  442    H    ASN  60           H        ASN  60  -5.525  16.983 -19.379
  443    HA   ASN  60           HA       ASN  60  -3.150  17.256 -21.123
  444    HB2  ASN  60           HB2      ASN  60  -5.445  18.251 -21.718
  445    HB3  ASN  60           HB3      ASN  60  -5.175  19.396 -20.382
  446   HD21  ASN  60          HD22      ASN  60  -3.677  18.245 -23.475
  447   HD22  ASN  60          HD21      ASN  60  -2.906  19.771 -23.811
  448    H    GLU  61           H        GLU  61  -1.744  19.187 -20.786
  449    HA   GLU  61           HA       GLU  61  -0.622  19.517 -18.236
  450    HB2  GLU  61           HB2      GLU  61  -0.777  21.710 -20.318
  451    HB3  GLU  61           HB3      GLU  61   0.505  21.356 -19.144
  452    HG2  GLU  61           HG2      GLU  61   0.577  19.092 -20.673
  453    HG3  GLU  61           HG3      GLU  61  -0.048  20.221 -21.853
  454    H    ALA  62           H        ALA  62  -3.234  21.382 -19.888
  455    HA   ALA  62           HA       ALA  62  -3.423  23.460 -17.962
  456    HB1  ALA  62           HB1      ALA  62  -4.389  23.592 -20.234
  457    HB2  ALA  62           HB2      ALA  62  -5.570  22.326 -19.815
  458    HB3  ALA  62           HB3      ALA  62  -5.621  23.900 -18.994
  459    H    GLU  63           H        GLU  63  -4.907  20.223 -18.084
  460    HA   GLU  63           HA       GLU  63  -6.725  20.687 -15.858
  461    HB2  GLU  63           HB2      GLU  63  -5.668  18.154 -17.161
  462    HB3  GLU  63           HB3      GLU  63  -6.921  18.179 -15.922
  463    HG2  GLU  63           HG2      GLU  63  -7.106  19.422 -18.702
  464    HG3  GLU  63           HG3      GLU  63  -7.831  17.906 -18.192
  465    H    ALA  64           H        ALA  64  -3.417  19.307 -16.291
  466    HA   ALA  64           HA       ALA  64  -3.061  18.511 -13.576
  467    HB1  ALA  64           HB1      ALA  64  -0.953  19.508 -15.553
  468    HB2  ALA  64           HB2      ALA  64  -0.665  18.576 -14.079
  469    HB3  ALA  64           HB3      ALA  64  -1.542  17.840 -15.439
  470    H    ARG  65           H        ARG  65  -2.269  21.605 -15.249
  471    HA   ARG  65           HA       ARG  65  -1.265  22.959 -12.954
  472    HB2  ARG  65           HB2      ARG  65  -2.564  23.980 -15.516
  473    HB3  ARG  65           HB3      ARG  65  -1.827  25.043 -14.310
  474    HG2  ARG  65           HG2      ARG  65   0.361  24.082 -14.635
  475    HG3  ARG  65           HG3      ARG  65  -0.282  22.768 -15.624
  476    HD2  ARG  65           HD2      ARG  65  -1.074  24.492 -17.284
  477    HD3  ARG  65           HD3      ARG  65  -0.174  25.715 -16.370
  478    HE   ARG  65           HE       ARG  65   1.833  24.132 -16.736
  479   HH11  ARG  65          HH21      ARG  65  -0.677  24.720 -19.188
  480   HH12  ARG  65          HH22      ARG  65   0.267  24.091 -20.489
  481   HH21  ARG  65          HH11      ARG  65   3.071  23.300 -18.499
  482   HH22  ARG  65          HH12      ARG  65   2.333  23.097 -20.059
  483    H    ASP  66           H        ASP  66  -4.635  22.827 -14.281
  484    HA   ASP  66           HA       ASP  66  -5.772  24.538 -12.318
  485    HB2  ASP  66           HB2      ASP  66  -6.964  23.909 -14.350
  486    HB3  ASP  66           HB3      ASP  66  -6.987  22.214 -13.856
  487    H    THR  67           H        THR  67  -5.240  20.977 -12.296
  488    HA   THR  67           HA       THR  67  -6.523  20.525  -9.788
  489    HB   THR  67           HB       THR  67  -4.287  18.947 -11.126
  490    HG1  THR  67           HG1      THR  67  -5.968  19.121 -12.525
  491   HG21  THR  67          HG21      THR  67  -5.296  16.999  -9.939
  492   HG22  THR  67          HG22      THR  67  -4.652  18.197  -8.808
  493   HG23  THR  67          HG23      THR  67  -6.402  18.103  -9.090
  494    H    LEU  68           H        LEU  68  -3.090  21.333 -10.616
  495    HA   LEU  68           HA       LEU  68  -2.155  21.178  -7.901
  496    HB2  LEU  68           HB2      LEU  68  -1.148  22.705 -10.334
  497    HB3  LEU  68           HB3      LEU  68  -0.304  22.698  -8.792
  498    HG   LEU  68           HG       LEU  68  -0.878  20.179 -10.406
  499   HD11  LEU  68          HD11      LEU  68   0.634  21.727 -11.598
  500   HD12  LEU  68          HD12      LEU  68   1.684  21.813 -10.166
  501   HD13  LEU  68          HD13      LEU  68   1.484  20.283 -11.049
  502   HD21  LEU  68          HD21      LEU  68   0.831  19.155  -8.935
  503   HD22  LEU  68          HD22      LEU  68   0.903  20.649  -7.977
  504   HD23  LEU  68          HD23      LEU  68  -0.583  19.673  -8.025
  505    H    ASP  69           H        ASP  69  -3.607  23.849  -9.811
  506    HA   ASP  69           HA       ASP  69  -3.179  25.886  -7.846
  507    HB2  ASP  69           HB2      ASP  69  -3.742  26.425 -10.149
  508    HB3  ASP  69           HB3      ASP  69  -5.306  25.621  -9.996
  509    H    ALA  70           H        ALA  70  -5.892  23.587  -8.387
  510    HA   ALA  70           HA       ALA  70  -7.511  24.502  -6.216
  511    HB1  ALA  70           HB1      ALA  70  -7.275  21.734  -7.490
  512    HB2  ALA  70           HB2      ALA  70  -8.563  22.254  -6.392
  513    HB3  ALA  70           HB3      ALA  70  -8.385  23.034  -7.976
  514    H    LEU  71           H        LEU  71  -5.108  21.827  -6.411
  515    HA   LEU  71           HA       LEU  71  -5.306  20.902  -3.798
  516    HB2  LEU  71           HB2      LEU  71  -4.149  19.840  -5.711
  517    HB3  LEU  71           HB3      LEU  71  -2.824  20.987  -5.577
  518    HG   LEU  71           HG       LEU  71  -3.628  19.021  -3.381
  519   HD11  LEU  71          HD11      LEU  71  -1.748  17.640  -4.170
  520   HD12  LEU  71          HD12      LEU  71  -2.963  17.834  -5.437
  521   HD13  LEU  71          HD13      LEU  71  -1.456  18.776  -5.508
  522   HD21  LEU  71          HD21      LEU  71  -1.121  20.726  -3.772
  523   HD22  LEU  71          HD22      LEU  71  -2.240  20.752  -2.389
  524   HD23  LEU  71          HD23      LEU  71  -1.216  19.358  -2.646
  525    H    GLN  72           H        GLN  72  -2.968  23.384  -5.038
  526    HA   GLN  72           HA       GLN  72  -1.730  23.641  -2.537
  527    HB2  GLN  72           HB2      GLN  72  -0.500  25.466  -3.422
  528    HB3  GLN  72           HB3      GLN  72  -0.718  24.255  -4.679
  529    HG2  GLN  72           HG2      GLN  72  -2.685  25.700  -5.511
  530    HG3  GLN  72           HG3      GLN  72  -2.115  26.952  -4.408
  531   HE21  GLN  72          HE22      GLN  72  -1.080  24.814  -7.092
  532   HE22  GLN  72          HE21      GLN  72   0.106  25.920  -7.777
  533    H    ASN  73           H        ASN  73  -4.832  24.913  -3.396
  534    HA   ASN  73           HA       ASN  73  -4.661  26.794  -1.081
  535    HB2  ASN  73           HB2      ASN  73  -5.656  28.467  -2.142
  536    HB3  ASN  73           HB3      ASN  73  -4.871  27.748  -3.535
  537   HD21  ASN  73          HD22      ASN  73  -6.279  26.468  -5.066
  538   HD22  ASN  73          HD21      ASN  73  -7.995  26.801  -5.072
  539    H    MET  74           H        MET  74  -6.321  24.003  -2.271
  540    HA   MET  74           HA       MET  74  -8.347  24.365  -0.099
  541    HB2  MET  74           HB2      MET  74  -8.676  22.915  -2.751
  542    HB3  MET  74           HB3      MET  74  -9.874  23.018  -1.456
  543    HG2  MET  74           HG2      MET  74  -9.758  25.543  -1.669
  544    HG3  MET  74           HG3      MET  74  -8.823  25.299  -3.145
  545    HE1  MET  74           HE1      MET  74 -11.402  23.659  -5.581
  546    HE2  MET  74           HE2      MET  74  -9.767  24.327  -5.385
  547    HE3  MET  74           HE3      MET  74 -10.215  22.807  -4.572
  548    H    PHE  75           H        PHE  75  -5.640  22.469  -0.993
  549    HA   PHE  75           HA       PHE  75  -6.513  20.382   0.972
  550    HB2  PHE  75           HB2      PHE  75  -6.426  19.469  -1.304
  551    HB3  PHE  75           HB3      PHE  75  -4.785  20.058  -1.506
  552    HD1  PHE  75           HD2      PHE  75  -6.907  17.618   0.344
  553    HD2  PHE  75           HD1      PHE  75  -2.883  18.858  -0.605
  554    HE1  PHE  75           HE2      PHE  75  -6.025  15.498   1.289
  555    HE2  PHE  75           HE1      PHE  75  -2.009  16.737   0.337
  556    HZ   PHE  75           HZ       PHE  75  -3.577  15.053   1.287
  557    H    ASP  76           H        ASP  76  -3.632  22.031  -0.507
  558    HA   ASP  76           HA       ASP  76  -2.060  21.642   1.942
  559    HB2  ASP  76           HB2      ASP  76  -1.058  21.763  -0.353
  560    HB3  ASP  76           HB3      ASP  76  -1.550  23.458  -0.426
  561    H    VAL  77           H        VAL  77  -4.436  23.850   0.840
  562    HA   VAL  77           HA       VAL  77  -5.116  25.914   1.350
  563    HB   VAL  77           HB       VAL  77  -5.774  26.234   3.661
  564   HG11  VAL  77          HG11      VAL  77  -6.283  23.414   2.614
  565   HG12  VAL  77          HG12      VAL  77  -7.297  24.327   3.746
  566   HG13  VAL  77          HG13      VAL  77  -7.118  24.894   2.083
  567   HG21  VAL  77          HG21      VAL  77  -3.841  25.150   4.845
  568   HG22  VAL  77          HG22      VAL  77  -5.418  24.551   5.380
  569   HG23  VAL  77          HG23      VAL  77  -4.423  23.567   4.291
  570    H    GLU  78           H        GLU  78  -2.633  26.114   0.519
  571    HA   GLU  78           HA       GLU  78  -1.378  27.793  -0.039
  572    HB2  GLU  78           HB2      GLU  78  -2.318  29.448   2.334
  573    HB3  GLU  78           HB3      GLU  78  -1.452  30.000   0.913
  574    HG2  GLU  78           HG2      GLU  78  -3.385  29.262  -0.523
  575    HG3  GLU  78           HG3      GLU  78  -4.287  28.864   0.943
  576    HA   PRO  79           HA       PRO  79   2.194  26.516   2.003
  577    HB2  PRO  79           HB2      PRO  79   4.142  28.313   1.186
  578    HB3  PRO  79           HB3      PRO  79   3.445  27.017   0.170
  579    HG2  PRO  79           HG2      PRO  79   2.643  29.936   0.281
  580    HG3  PRO  79           HG3      PRO  79   2.936  28.919  -1.167
  581    HD2  PRO  79           HD2      PRO  79   0.429  29.376  -0.263
  582    HD3  PRO  79           HD3      PRO  79   0.887  27.757  -0.874
  583    H    ASP  80           H        ASP  80   1.152  29.803   2.587
  584    HA   ASP  80           HA       ASP  80   2.784  30.671   4.673
  585    HB2  ASP  80           HB2      ASP  80   1.094  32.035   3.528
  586    HB3  ASP  80           HB3      ASP  80  -0.198  31.063   4.237
  587    H    VAL  81           H        VAL  81   0.443  28.052   4.758
  588    HA   VAL  81           HA       VAL  81   1.255  27.617   7.570
  589    HB   VAL  81           HB       VAL  81  -0.953  28.621   7.666
  590   HG11  VAL  81          HG11      VAL  81  -1.986  26.240   6.074
  591   HG12  VAL  81          HG12      VAL  81  -2.961  27.503   6.846
  592   HG13  VAL  81          HG13      VAL  81  -1.897  27.920   5.499
  593   HG21  VAL  81          HG21      VAL  81  -0.277  26.965   9.365
  594   HG22  VAL  81          HG22      VAL  81  -2.028  26.983   9.100
  595   HG23  VAL  81          HG23      VAL  81  -1.042  25.674   8.414
  596    H    GLY  82           H        GLY  82   0.099  26.187   4.457
  597    HA2  GLY  82           HA2      GLY  82   0.281  23.494   5.290
  598    HA3  GLY  82           HA3      GLY  82   0.362  24.103   3.628
  599    H    ALA  83           H        ALA  83   2.656  25.459   3.381
  600    HA   ALA  83           HA       ALA  83   4.672  23.407   3.453
  601    HB1  ALA  83           HB1      ALA  83   4.601  25.155   1.694
  602    HB2  ALA  83           HB2      ALA  83   5.017  26.388   2.914
  603    HB3  ALA  83           HB3      ALA  83   6.163  25.096   2.530
  604    H    LEU  84           H        LEU  84   3.921  26.237   5.491
  605    HA   LEU  84           HA       LEU  84   6.220  26.251   7.108
  606    HB2  LEU  84           HB2      LEU  84   4.286  27.933   7.011
  607    HB3  LEU  84           HB3      LEU  84   3.358  26.802   7.993
  608    HG   LEU  84           HG       LEU  84   5.168  26.985   9.774
  609   HD11  LEU  84          HD11      LEU  84   7.015  27.882   8.354
  610   HD12  LEU  84          HD12      LEU  84   6.057  29.339   8.028
  611   HD13  LEU  84          HD13      LEU  84   6.630  28.993   9.672
  612   HD21  LEU  84          HD21      LEU  84   3.039  28.192   9.943
  613   HD22  LEU  84          HD22      LEU  84   4.361  29.198  10.559
  614   HD23  LEU  84          HD23      LEU  84   3.682  29.517   8.952
  615    H    LEU  85           H        LEU  85   3.156  24.408   7.530
  616    HA   LEU  85           HA       LEU  85   4.002  22.995   9.877
  617    HB2  LEU  85           HB2      LEU  85   1.682  23.395   9.270
  618    HB3  LEU  85           HB3      LEU  85   1.822  22.413   7.819
  619    HG   LEU  85           HG       LEU  85   2.458  21.156  10.506
  620   HD11  LEU  85          HD11      LEU  85   0.340  22.345  10.884
  621   HD12  LEU  85          HD12      LEU  85  -0.356  21.613   9.422
  622   HD13  LEU  85          HD13      LEU  85   0.071  20.599  10.821
  623   HD21  LEU  85          HD21      LEU  85   1.102  20.090   7.974
  624   HD22  LEU  85          HD22      LEU  85   2.765  19.739   8.480
  625   HD23  LEU  85          HD23      LEU  85   1.422  19.151   9.447
  626    H    TYR  86           H        TYR  86   4.061  22.176   6.356
  627    HA   TYR  86           HA       TYR  86   5.020  19.539   6.636
  628    HB2  TYR  86           HB2      TYR  86   4.129  20.530   4.552
  629    HB3  TYR  86           HB3      TYR  86   5.554  21.554   4.424
  630    HD1  TYR  86           HD1      TYR  86   4.413  17.987   4.442
  631    HD2  TYR  86           HD2      TYR  86   7.554  20.753   3.379
  632    HE1  TYR  86           HE1      TYR  86   5.569  16.188   3.189
  633    HE2  TYR  86           HE2      TYR  86   8.714  18.966   2.126
  634    HH   TYR  86           HH       TYR  86   8.680  16.731   1.463
  635    H    GLY  87           H        GLY  87   6.801  22.640   6.631
  636    HA2  GLY  87           HA2      GLY  87   9.435  21.445   6.792
  637    HA3  GLY  87           HA3      GLY  87   8.989  23.141   7.041
  638    H    GLU  88           H        GLU  88   6.979  21.383   9.046
  639    HA   GLU  88           HA       GLU  88   6.719  21.263  11.229
  640    HB2  GLU  88           HB2      GLU  88   9.581  20.232  11.226
  641    HB3  GLU  88           HB3      GLU  88   8.412  20.053  12.538
  642    HG2  GLU  88           HG2      GLU  88   6.891  18.801  11.011
  643    HG3  GLU  88           HG3      GLU  88   8.110  18.893   9.737
  644    H    GLU  89           H        GLU  89   7.610  23.860  10.163
  645    HA   GLU  89           HA       GLU  89   9.249  25.094  12.238
  646    HB2  GLU  89           HB2      GLU  89   9.069  25.804   9.790
  647    HB3  GLU  89           HB3      GLU  89   7.445  26.375  10.155
  648    HG2  GLU  89           HG2      GLU  89   8.986  28.235  10.170
  649    HG3  GLU  89           HG3      GLU  89   8.392  27.993  11.801
  650    H    LYS  90           H        LYS  90   5.938  24.175  11.853
  651    HA   LYS  90           HA       LYS  90   5.213  25.232  14.472
  652    HB2  LYS  90           HB2      LYS  90   3.533  25.633  11.944
  653    HB3  LYS  90           HB3      LYS  90   2.906  25.792  13.578
  654    HG2  LYS  90           HG2      LYS  90   5.090  27.547  12.377
  655    HG3  LYS  90           HG3      LYS  90   3.380  27.963  12.519
  656    HD2  LYS  90           HD2      LYS  90   3.521  27.820  14.986
  657    HD3  LYS  90           HD3      LYS  90   5.251  27.433  14.868
  658    HE2  LYS  90           HE2      LYS  90   5.656  29.580  13.695
  659    HE3  LYS  90           HE3      LYS  90   3.936  29.976  13.817
  660    HZ1  LYS  90           HZ1      LYS  90   5.767  29.608  16.120
  661    HZ2  LYS  90           HZ2      LYS  90   5.213  31.036  15.566
  662    HZ3  LYS  90           HZ3      LYS  90   4.176  29.973  16.233