*HEADER    ELECTRON TRANSPORT                      21-OCT-11   2LKU              
*TITLE     SOLUTION STRUCTURE OF REDUCED POPLAR APO GRXS14                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GRXS14;                                                    
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: POPULUS TRICHOCARPA;                            
*SOURCE   3 ORGANISM_TAXID: 3694;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR: PET-3D                                     
*KEYWDS    GRXS14, GLUTAREDOXIN, GLUTATHIONE, ELECTRON TRANSPORT                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    L.WANG, B.XIA                                                         
*REVDAT   1   24-OCT-12 2LKU    0                                                


# 1714 atoms read from pdb file grx_new.pdb.
# 6 ALA PHI:  (5 PRO C)-(6 ALA N)-(6 ALA CA)-(6 ALA C) -180.0  -0.0
 &rst     iat =    75,    77,    79,    85,
   r1 = -181.0, r2 = -180.0, r3 =  -0.0, r4 =   1.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 6 ALA PSI:  (6 ALA N)-(6 ALA CA)-(6 ALA C)-(7 LEU N) -72.5  -0.3
 &rst     iat =    77,    79,    85,    87,
   r1 = -73.5, r2 = -72.5, r3 =  -0.3, r4 =   0.7,
 &end

# 7 LEU PHI:  (6 ALA C)-(7 LEU N)-(7 LEU CA)-(7 LEU C) -90.0 -50.2
 &rst     iat =    85,    87,    89,   104,
   r1 = -91.0, r2 = -90.0, r3 = -50.2, r4 = -49.2,
 &end

# 7 LEU PSI:  (7 LEU N)-(7 LEU CA)-(7 LEU C)-(8 LYS N) -68.4 -33.4
 &rst     iat =    87,    89,   104,   106,
   r1 = -69.4, r2 = -68.4, r3 = -33.4, r4 = -32.4,
 &end

# 8 LYS PHI:  (7 LEU C)-(8 LYS N)-(8 LYS CA)-(8 LYS C) -68.8 -59.7
 &rst     iat =   104,   106,   108,   126,
   r1 = -69.8, r2 = -68.8, r3 = -59.7, r4 = -58.7,
 &end

# 8 LYS PSI:  (8 LYS N)-(8 LYS CA)-(8 LYS C)-(9 THR N) -51.5 -24.7
 &rst     iat =   106,   108,   126,   128,
   r1 = -52.5, r2 = -51.5, r3 = -24.7, r4 = -23.7,
 &end

# 9 THR PHI:  (8 LYS C)-(9 THR N)-(9 THR CA)-(9 THR C) -66.9 -60.2
 &rst     iat =   126,   128,   130,   140,
   r1 = -67.9, r2 = -66.9, r3 = -60.2, r4 = -59.2,
 &end

# 9 THR PSI:  (9 THR N)-(9 THR CA)-(9 THR C)-(10 THR N) -46.0 -36.3
 &rst     iat =   128,   130,   140,   142,
   r1 = -47.0, r2 = -46.0, r3 = -36.3, r4 = -35.3,
 &end

# 10 THR PHI:  (9 THR C)-(10 THR N)-(10 THR CA)-(10 THR C) -79.4 -61.8
 &rst     iat =   140,   142,   144,   154,
   r1 = -80.4, r2 = -79.4, r3 = -61.8, r4 = -60.8,
 &end

# 10 THR PSI:  (10 THR N)-(10 THR CA)-(10 THR C)-(11 LEU N) -56.9 -35.9
 &rst     iat =   142,   144,   154,   156,
   r1 = -57.9, r2 = -56.9, r3 = -35.9, r4 = -34.9,
 &end

# 11 LEU PHI:  (10 THR C)-(11 LEU N)-(11 LEU CA)-(11 LEU C) -64.3 -53.9
 &rst     iat =   154,   156,   158,   173,
   r1 = -65.3, r2 = -64.3, r3 = -53.9, r4 = -52.9,
 &end

# 11 LEU PSI:  (11 LEU N)-(11 LEU CA)-(11 LEU C)-(12 ASP N) -57.7 -26.0
 &rst     iat =   156,   158,   173,   175,
   r1 = -58.7, r2 = -57.7, r3 = -26.0, r4 = -25.0,
 &end

# 12 ASP PHI:  (11 LEU C)-(12 ASP N)-(12 ASP CA)-(12 ASP C) -66.4 -56.4
 &rst     iat =   173,   175,   177,   185,
   r1 = -67.4, r2 = -66.4, r3 = -56.4, r4 = -55.4,
 &end

# 12 ASP PSI:  (12 ASP N)-(12 ASP CA)-(12 ASP C)-(13 LYS N) -48.4 -31.5
 &rst     iat =   175,   177,   185,   187,
   r1 = -49.4, r2 = -48.4, r3 = -31.5, r4 = -30.5,
 &end

# 13 LYS PHI:  (12 ASP C)-(13 LYS N)-(13 LYS CA)-(13 LYS C) -66.7 -59.1
 &rst     iat =   185,   187,   189,   207,
   r1 = -67.7, r2 = -66.7, r3 = -59.1, r4 = -58.1,
 &end

# 13 LYS PSI:  (13 LYS N)-(13 LYS CA)-(13 LYS C)-(14 VAL N) -44.8 -20.3
 &rst     iat =   187,   189,   207,   209,
   r1 = -45.8, r2 = -44.8, r3 = -20.3, r4 = -19.3,
 &end

# 14 VAL PHI:  (13 LYS C)-(14 VAL N)-(14 VAL CA)-(14 VAL C) -85.7 -53.2
 &rst     iat =   207,   209,   211,   223,
   r1 = -86.7, r2 = -85.7, r3 = -53.2, r4 = -52.2,
 &end

# 14 VAL PSI:  (14 VAL N)-(14 VAL CA)-(14 VAL C)-(15 VAL N) -63.1 -30.1
 &rst     iat =   209,   211,   223,   225,
   r1 = -64.1, r2 = -63.1, r3 = -30.1, r4 = -29.1,
 &end

# 25 LYS PHI:  (24 MET C)-(25 LYS N)-(25 LYS CA)-(25 LYS C) -136.4 -53.4
 &rst     iat =   391,   393,   395,   413,
   r1 = -137.4, r2 = -136.4, r3 = -53.4, r4 = -52.4,
 &end

# 28 LYS PSI:  (28 LYS N)-(28 LYS CA)-(28 LYS C)-(29 ASP N) -39.8 -11.2
 &rst     iat =   436,   438,   456,   458,
   r1 = -40.8, r2 = -39.8, r3 = -11.2, r4 = -10.2,
 &end

# 29 ASP PHI:  (28 LYS C)-(29 ASP N)-(29 ASP CA)-(29 ASP C) -100.5 -68.8
 &rst     iat =   456,   458,   460,   468,
   r1 = -101.5, r2 = -100.5, r3 = -68.8, r4 = -67.8,
 &end

# 29 ASP PSI:  (29 ASP N)-(29 ASP CA)-(29 ASP C)-(30 PHE N) -53.6   1.3
 &rst     iat =   458,   460,   468,   470,
   r1 = -54.6, r2 = -53.6, r3 =   1.3, r4 =   2.3,
 &end

# 30 PHE PHI:  (29 ASP C)-(30 PHE N)-(30 PHE CA)-(30 PHE C) -153.8 -77.3
 &rst     iat =   468,   470,   472,   488,
   r1 = -154.8, r2 = -153.8, r3 = -77.3, r4 = -76.3,
 &end

# 30 PHE PSI:  (30 PHE N)-(30 PHE CA)-(30 PHE C)-(31 PRO N)  64.4 147.7
 &rst     iat =   470,   472,   488,   490,
   r1 =  63.4, r2 =  64.4, r3 = 147.7, r4 = 148.7,
 &end

# 35 PHE PSI:  (35 PHE N)-(35 PHE CA)-(35 PHE C)-(36 SER N) -83.0  10.7
 &rst     iat =   539,   541,   557,   559,
   r1 = -84.0, r2 = -83.0, r3 =  10.7, r4 =  11.7,
 &end

# 36 SER PHI:  (35 PHE C)-(36 SER N)-(36 SER CA)-(36 SER C) -80.8 -48.3
 &rst     iat =   557,   559,   561,   568,
   r1 = -81.8, r2 = -80.8, r3 = -48.3, r4 = -47.3,
 &end

# 36 SER PSI:  (36 SER N)-(36 SER CA)-(36 SER C)-(37 GLN N) -56.5 -14.7
 &rst     iat =   559,   561,   568,   570,
   r1 = -57.5, r2 = -56.5, r3 = -14.7, r4 = -13.7,
 &end

# 37 GLN PHI:  (36 SER C)-(37 GLN N)-(37 GLN CA)-(37 GLN C) -68.7 -57.6
 &rst     iat =   568,   570,   572,   585,
   r1 = -69.7, r2 = -68.7, r3 = -57.6, r4 = -56.6,
 &end

# 37 GLN PSI:  (37 GLN N)-(37 GLN CA)-(37 GLN C)-(38 THR N) -46.5 -28.7
 &rst     iat =   570,   572,   585,   587,
   r1 = -47.5, r2 = -46.5, r3 = -28.7, r4 = -27.7,
 &end

# 38 THR PHI:  (37 GLN C)-(38 THR N)-(38 THR CA)-(38 THR C) -67.2 -59.5
 &rst     iat =   585,   587,   589,   599,
   r1 = -68.2, r2 = -67.2, r3 = -59.5, r4 = -58.5,
 &end

# 38 THR PSI:  (38 THR N)-(38 THR CA)-(38 THR C)-(39 VAL N) -51.1 -38.2
 &rst     iat =   587,   589,   599,   601,
   r1 = -52.1, r2 = -51.1, r3 = -38.2, r4 = -37.2,
 &end

# 39 VAL PHI:  (38 THR C)-(39 VAL N)-(39 VAL CA)-(39 VAL C) -67.5 -56.7
 &rst     iat =   599,   601,   603,   615,
   r1 = -68.5, r2 = -67.5, r3 = -56.7, r4 = -55.7,
 &end

# 39 VAL PSI:  (39 VAL N)-(39 VAL CA)-(39 VAL C)-(40 VAL N) -49.5 -37.7
 &rst     iat =   601,   603,   615,   617,
   r1 = -50.5, r2 = -49.5, r3 = -37.7, r4 = -36.7,
 &end

# 40 VAL PHI:  (39 VAL C)-(40 VAL N)-(40 VAL CA)-(40 VAL C) -70.5 -56.9
 &rst     iat =   615,   617,   619,   631,
   r1 = -71.5, r2 = -70.5, r3 = -56.9, r4 = -55.9,
 &end

# 40 VAL PSI:  (40 VAL N)-(40 VAL CA)-(40 VAL C)-(41 GLN N) -50.1 -35.6
 &rst     iat =   617,   619,   631,   633,
   r1 = -51.1, r2 = -50.1, r3 = -35.6, r4 = -34.6,
 &end

# 41 GLN PHI:  (40 VAL C)-(41 GLN N)-(41 GLN CA)-(41 GLN C) -64.5 -54.3
 &rst     iat =   631,   633,   635,   648,
   r1 = -65.5, r2 = -64.5, r3 = -54.3, r4 = -53.3,
 &end

# 41 GLN PSI:  (41 GLN N)-(41 GLN CA)-(41 GLN C)-(42 ILE N) -43.9 -24.5
 &rst     iat =   633,   635,   648,   650,
   r1 = -44.9, r2 = -43.9, r3 = -24.5, r4 = -23.5,
 &end

# 42 ILE PHI:  (41 GLN C)-(42 ILE N)-(42 ILE CA)-(42 ILE C) -70.7 -60.3
 &rst     iat =   648,   650,   652,   667,
   r1 = -71.7, r2 = -70.7, r3 = -60.3, r4 = -59.3,
 &end

# 42 ILE PSI:  (42 ILE N)-(42 ILE CA)-(42 ILE C)-(43 LEU N) -51.3 -28.0
 &rst     iat =   650,   652,   667,   669,
   r1 = -52.3, r2 = -51.3, r3 = -28.0, r4 = -27.0,
 &end

# 43 LEU PHI:  (42 ILE C)-(43 LEU N)-(43 LEU CA)-(43 LEU C) -65.0 -54.1
 &rst     iat =   667,   669,   671,   686,
   r1 = -66.0, r2 = -65.0, r3 = -54.1, r4 = -53.1,
 &end

# 43 LEU PSI:  (43 LEU N)-(43 LEU CA)-(43 LEU C)-(44 LYS N) -52.7 -34.1
 &rst     iat =   669,   671,   686,   688,
   r1 = -53.7, r2 = -52.7, r3 = -34.1, r4 = -33.1,
 &end

# 44 LYS PHI:  (43 LEU C)-(44 LYS N)-(44 LYS CA)-(44 LYS C) -66.4 -49.3
 &rst     iat =   686,   688,   690,   708,
   r1 = -67.4, r2 = -66.4, r3 = -49.3, r4 = -48.3,
 &end

# 44 LYS PSI:  (44 LYS N)-(44 LYS CA)-(44 LYS C)-(45 SER N) -66.0 -34.8
 &rst     iat =   688,   690,   708,   710,
   r1 = -67.0, r2 = -66.0, r3 = -34.8, r4 = -33.8,
 &end

# 45 SER PHI:  (44 LYS C)-(45 SER N)-(45 SER CA)-(45 SER C) -67.8 -59.9
 &rst     iat =   708,   710,   712,   719,
   r1 = -68.8, r2 = -67.8, r3 = -59.9, r4 = -58.9,
 &end

# 45 SER PSI:  (45 SER N)-(45 SER CA)-(45 SER C)-(46 LEU N) -45.5 -23.9
 &rst     iat =   710,   712,   719,   721,
   r1 = -46.5, r2 = -45.5, r3 = -23.9, r4 = -22.9,
 &end

# 46 LEU PHI:  (45 SER C)-(46 LEU N)-(46 LEU CA)-(46 LEU C) -99.9 -60.9
 &rst     iat =   719,   721,   723,   738,
   r1 = -100.9, r2 = -99.9, r3 = -60.9, r4 = -59.9,
 &end

# 46 LEU PSI:  (46 LEU N)-(46 LEU CA)-(46 LEU C)-(47 ASN N) -44.8   9.9
 &rst     iat =   721,   723,   738,   740,
   r1 = -45.8, r2 = -44.8, r3 =   9.9, r4 =  10.9,
 &end

# 48 ALA PHI:  (47 ASN C)-(48 ALA N)-(48 ALA CA)-(48 ALA C) -152.9 -67.8
 &rst     iat =   752,   754,   756,   762,
   r1 = -153.9, r2 = -152.9, r3 = -67.8, r4 = -66.8,
 &end

# 48 ALA PSI:  (48 ALA N)-(48 ALA CA)-(48 ALA C)-(49 PRO N) 121.2 160.9
 &rst     iat =   754,   756,   762,   764,
   r1 = 120.2, r2 = 121.2, r3 = 160.9, r4 = 161.9,
 &end

# 50 PHE PHI:  (49 PRO C)-(50 PHE N)-(50 PHE CA)-(50 PHE C) -169.0 -54.5
 &rst     iat =   776,   778,   780,   796,
   r1 = -170.0, r2 = -169.0, r3 = -54.5, r4 = -53.5,
 &end

# 50 PHE PSI:  (50 PHE N)-(50 PHE CA)-(50 PHE C)-(51 GLU N) 135.8 172.5
 &rst     iat =   778,   780,   796,   798,
   r1 = 134.8, r2 = 135.8, r3 = 172.5, r4 = 173.5,
 &end

# 51 GLU PHI:  (50 PHE C)-(51 GLU N)-(51 GLU CA)-(51 GLU C) -158.6 -96.4
 &rst     iat =   796,   798,   800,   811,
   r1 = -159.6, r2 = -158.6, r3 = -96.4, r4 = -95.4,
 &end

# 51 GLU PSI:  (51 GLU N)-(51 GLU CA)-(51 GLU C)-(52 SER N)  80.9 177.2
 &rst     iat =   798,   800,   811,   813,
   r1 =  79.9, r2 =  80.9, r3 = 177.2, r4 = 178.2,
 &end

# 52 SER PHI:  (51 GLU C)-(52 SER N)-(52 SER CA)-(52 SER C) -153.6 -73.4
 &rst     iat =   811,   813,   815,   822,
   r1 = -154.6, r2 = -153.6, r3 = -73.4, r4 = -72.4,
 &end

# 52 SER PSI:  (52 SER N)-(52 SER CA)-(52 SER C)-(53 VAL N)  80.6 167.1
 &rst     iat =   813,   815,   822,   824,
   r1 =  79.6, r2 =  80.6, r3 = 167.1, r4 = 168.1,
 &end

# 60 LEU PSI:  (60 LEU N)-(60 LEU CA)-(60 LEU C)-(61 LEU N) -61.9  15.6
 &rst     iat =   936,   938,   953,   955,
   r1 = -62.9, r2 = -61.9, r3 =  15.6, r4 =  16.6,
 &end

# 61 LEU PHI:  (60 LEU C)-(61 LEU N)-(61 LEU CA)-(61 LEU C) -95.4 -25.2
 &rst     iat =   953,   955,   957,   972,
   r1 = -96.4, r2 = -95.4, r3 = -25.2, r4 = -24.2,
 &end

# 61 LEU PSI:  (61 LEU N)-(61 LEU CA)-(61 LEU C)-(62 ARG N) -55.9  30.7
 &rst     iat =   955,   957,   972,   974,
   r1 = -56.9, r2 = -55.9, r3 =  30.7, r4 =  31.7,
 &end

# 62 ARG PHI:  (61 LEU C)-(62 ARG N)-(62 ARG CA)-(62 ARG C) -145.3 -50.9
 &rst     iat =   972,   974,   976,   996,
   r1 = -146.3, r2 = -145.3, r3 = -50.9, r4 = -49.9,
 &end

# 62 ARG PSI:  (62 ARG N)-(62 ARG CA)-(62 ARG C)-(63 GLN N) -91.1  10.6
 &rst     iat =   974,   976,   996,   998,
   r1 = -92.1, r2 = -91.1, r3 =  10.6, r4 =  11.6,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 LYS N) -185.2  33.9
 &rst     iat =  1022,  1024,  1039,  1041,
   r1 = -186.2, r2 = -185.2, r3 =  33.9, r4 =  34.9,
 &end

# 67 GLU PHI:  (66 LYS C)-(67 GLU N)-(67 GLU CA)-(67 GLU C) -82.9 -45.5
 &rst     iat =  1061,  1063,  1065,  1076,
   r1 = -83.9, r2 = -82.9, r3 = -45.5, r4 = -44.5,
 &end

# 67 GLU PSI:  (67 GLU N)-(67 GLU CA)-(67 GLU C)-(68 TYR N) -68.2  27.6
 &rst     iat =  1063,  1065,  1076,  1078,
   r1 = -69.2, r2 = -68.2, r3 =  27.6, r4 =  28.6,
 &end

# 68 TYR PHI:  (67 GLU C)-(68 TYR N)-(68 TYR CA)-(68 TYR C) -120.5 -47.9
 &rst     iat =  1076,  1078,  1080,  1097,
   r1 = -121.5, r2 = -120.5, r3 = -47.9, r4 = -46.9,
 &end

# 68 TYR PSI:  (68 TYR N)-(68 TYR CA)-(68 TYR C)-(69 SER N) -48.7  40.7
 &rst     iat =  1078,  1080,  1097,  1099,
   r1 = -49.7, r2 = -48.7, r3 =  40.7, r4 =  41.7,
 &end

# 69 SER PSI:  (69 SER N)-(69 SER CA)-(69 SER C)-(70 SER N) -67.7  80.5
 &rst     iat =  1099,  1101,  1108,  1110,
   r1 = -68.7, r2 = -67.7, r3 =  80.5, r4 =  81.5,
 &end

# 78 TYR PHI:  (77 LEU C)-(78 TYR N)-(78 TYR CA)-(78 TYR C) -149.9 -82.3
 &rst     iat =  1241,  1243,  1245,  1262,
   r1 = -150.9, r2 = -149.9, r3 = -82.3, r4 = -81.3,
 &end

# 78 TYR PSI:  (78 TYR N)-(78 TYR CA)-(78 TYR C)-(79 ILE N) 124.8 164.5
 &rst     iat =  1243,  1245,  1262,  1264,
   r1 = 123.8, r2 = 124.8, r3 = 164.5, r4 = 165.5,
 &end

# 79 ILE PHI:  (78 TYR C)-(79 ILE N)-(79 ILE CA)-(79 ILE C) -149.8 -104.6
 &rst     iat =  1262,  1264,  1266,  1281,
   r1 = -150.8, r2 = -149.8, r3 = -104.6, r4 = -103.6,
 &end

# 79 ILE PSI:  (79 ILE N)-(79 ILE CA)-(79 ILE C)-(80 ASP N)  91.1 178.1
 &rst     iat =  1264,  1266,  1281,  1283,
   r1 =  90.1, r2 =  91.1, r3 = 178.1, r4 = 179.1,
 &end

# 87 CYS PHI:  (86 GLY C)-(87 CYS N)-(87 CYS CA)-(87 CYS C) -98.4 -42.6
 &rst     iat =  1369,  1371,  1373,  1380,
   r1 = -99.4, r2 = -98.4, r3 = -42.6, r4 = -41.6,
 &end

# 87 CYS PSI:  (87 CYS N)-(87 CYS CA)-(87 CYS C)-(88 ASP N) -79.2 -32.8
 &rst     iat =  1371,  1373,  1380,  1382,
   r1 = -80.2, r2 = -79.2, r3 = -32.8, r4 = -31.8,
 &end

# 88 ASP PHI:  (87 CYS C)-(88 ASP N)-(88 ASP CA)-(88 ASP C) -66.6 -56.5
 &rst     iat =  1380,  1382,  1384,  1392,
   r1 = -67.6, r2 = -66.6, r3 = -56.5, r4 = -55.5,
 &end

# 88 ASP PSI:  (88 ASP N)-(88 ASP CA)-(88 ASP C)-(89 ILE N) -59.9 -39.4
 &rst     iat =  1382,  1384,  1392,  1394,
   r1 = -60.9, r2 = -59.9, r3 = -39.4, r4 = -38.4,
 &end

# 89 ILE PHI:  (88 ASP C)-(89 ILE N)-(89 ILE CA)-(89 ILE C) -69.2 -59.8
 &rst     iat =  1392,  1394,  1396,  1411,
   r1 = -70.2, r2 = -69.2, r3 = -59.8, r4 = -58.8,
 &end

# 89 ILE PSI:  (89 ILE N)-(89 ILE CA)-(89 ILE C)-(90 THR N) -47.3 -32.3
 &rst     iat =  1394,  1396,  1411,  1413,
   r1 = -48.3, r2 = -47.3, r3 = -32.3, r4 = -31.3,
 &end

# 90 THR PHI:  (89 ILE C)-(90 THR N)-(90 THR CA)-(90 THR C) -70.8 -63.3
 &rst     iat =  1411,  1413,  1415,  1425,
   r1 = -71.8, r2 = -70.8, r3 = -63.3, r4 = -62.3,
 &end

# 90 THR PSI:  (90 THR N)-(90 THR CA)-(90 THR C)-(91 VAL N) -47.4 -32.1
 &rst     iat =  1413,  1415,  1425,  1427,
   r1 = -48.4, r2 = -47.4, r3 = -32.1, r4 = -31.1,
 &end

# 91 VAL PHI:  (90 THR C)-(91 VAL N)-(91 VAL CA)-(91 VAL C) -63.8 -53.9
 &rst     iat =  1425,  1427,  1429,  1441,
   r1 = -64.8, r2 = -63.8, r3 = -53.9, r4 = -52.9,
 &end

# 91 VAL PSI:  (91 VAL N)-(91 VAL CA)-(91 VAL C)-(92 GLU N) -50.7 -40.4
 &rst     iat =  1427,  1429,  1441,  1443,
   r1 = -51.7, r2 = -50.7, r3 = -40.4, r4 = -39.4,
 &end

# 92 GLU PHI:  (91 VAL C)-(92 GLU N)-(92 GLU CA)-(92 GLU C) -73.3 -54.7
 &rst     iat =  1441,  1443,  1445,  1456,
   r1 = -74.3, r2 = -73.3, r3 = -54.7, r4 = -53.7,
 &end

# 92 GLU PSI:  (92 GLU N)-(92 GLU CA)-(92 GLU C)-(93 ALA N) -48.1 -33.0
 &rst     iat =  1443,  1445,  1456,  1458,
   r1 = -49.1, r2 = -48.1, r3 = -33.0, r4 = -32.0,
 &end

# 93 ALA PHI:  (92 GLU C)-(93 ALA N)-(93 ALA CA)-(93 ALA C) -98.1 -59.9
 &rst     iat =  1456,  1458,  1460,  1466,
   r1 = -99.1, r2 = -98.1, r3 = -59.9, r4 = -58.9,
 &end

# 93 ALA PSI:  (93 ALA N)-(93 ALA CA)-(93 ALA C)-(94 TYR N) -57.3 -16.6
 &rst     iat =  1458,  1460,  1466,  1468,
   r1 = -58.3, r2 = -57.3, r3 = -16.6, r4 = -15.6,
 &end

# 99 LEU PHI:  (98 GLU C)-(99 LEU N)-(99 LEU CA)-(99 LEU C) -76.8 -55.7
 &rst     iat =  1542,  1544,  1546,  1561,
   r1 = -77.8, r2 = -76.8, r3 = -55.7, r4 = -54.7,
 &end

# 99 LEU PSI:  (99 LEU N)-(99 LEU CA)-(99 LEU C)-(100 GLN N) -52.7 -25.4
 &rst     iat =  1544,  1546,  1561,  1563,
   r1 = -53.7, r2 = -52.7, r3 = -25.4, r4 = -24.4,
 &end

# 100 GLN PHI:  (99 LEU C)-(100 GLN N)-(100 GLN CA)-(100 GLN C) -68.4 -55.5
 &rst     iat =  1561,  1563,  1565,  1578,
   r1 = -69.4, r2 = -68.4, r3 = -55.5, r4 = -54.5,
 &end

# 100 GLN PSI:  (100 GLN N)-(100 GLN CA)-(100 GLN C)-(101 GLU N) -48.0 -31.4
 &rst     iat =  1563,  1565,  1578,  1580,
   r1 = -49.0, r2 = -48.0, r3 = -31.4, r4 = -30.4,
 &end

# 101 GLU PHI:  (100 GLN C)-(101 GLU N)-(101 GLU CA)-(101 GLU C) -64.4 -52.6
 &rst     iat =  1578,  1580,  1582,  1593,
   r1 = -65.4, r2 = -64.4, r3 = -52.6, r4 = -51.6,
 &end

# 101 GLU PSI:  (101 GLU N)-(101 GLU CA)-(101 GLU C)-(102 GLN N) -49.1 -26.6
 &rst     iat =  1580,  1582,  1593,  1595,
   r1 = -50.1, r2 = -49.1, r3 = -26.6, r4 = -25.6,
 &end

# 102 GLN PHI:  (101 GLU C)-(102 GLN N)-(102 GLN CA)-(102 GLN C) -68.6 -59.7
 &rst     iat =  1593,  1595,  1597,  1610,
   r1 = -69.6, r2 = -68.6, r3 = -59.7, r4 = -58.7,
 &end

# 102 GLN PSI:  (102 GLN N)-(102 GLN CA)-(102 GLN C)-(103 VAL N) -44.3 -33.4
 &rst     iat =  1595,  1597,  1610,  1612,
   r1 = -45.3, r2 = -44.3, r3 = -33.4, r4 = -32.4,
 &end

# 103 VAL PHI:  (102 GLN C)-(103 VAL N)-(103 VAL CA)-(103 VAL C) -68.9 -56.3
 &rst     iat =  1610,  1612,  1614,  1626,
   r1 = -69.9, r2 = -68.9, r3 = -56.3, r4 = -55.3,
 &end

# 103 VAL PSI:  (103 VAL N)-(103 VAL CA)-(103 VAL C)-(104 GLU N) -52.1 -32.8
 &rst     iat =  1612,  1614,  1626,  1628,
   r1 = -53.1, r2 = -52.1, r3 = -32.8, r4 = -31.8,
 &end

# 104 GLU PHI:  (103 VAL C)-(104 GLU N)-(104 GLU CA)-(104 GLU C) -63.3 -54.3
 &rst     iat =  1626,  1628,  1630,  1641,
   r1 = -64.3, r2 = -63.3, r3 = -54.3, r4 = -53.3,
 &end

# 104 GLU PSI:  (104 GLU N)-(104 GLU CA)-(104 GLU C)-(105 LYS N) -45.7 -35.6
 &rst     iat =  1628,  1630,  1641,  1643,
   r1 = -46.7, r2 = -45.7, r3 = -35.6, r4 = -34.6,
 &end

# 105 LYS PHI:  (104 GLU C)-(105 LYS N)-(105 LYS CA)-(105 LYS C) -70.4 -60.1
 &rst     iat =  1641,  1643,  1645,  1663,
   r1 = -71.4, r2 = -70.4, r3 = -60.1, r4 = -59.1,
 &end

# 105 LYS PSI:  (105 LYS N)-(105 LYS CA)-(105 LYS C)-(106 ALA N) -49.9 -36.2
 &rst     iat =  1643,  1645,  1663,  1665,
   r1 = -50.9, r2 = -49.9, r3 = -36.2, r4 = -35.2,
 &end

# 106 ALA PHI:  (105 LYS C)-(106 ALA N)-(106 ALA CA)-(106 ALA C) -84.7 -61.3
 &rst     iat =  1663,  1665,  1667,  1673,
   r1 = -85.7, r2 = -84.7, r3 = -61.3, r4 = -60.3,
 &end

# 106 ALA PSI:  (106 ALA N)-(106 ALA CA)-(106 ALA C)-(107 MET N) -45.3 -15.7
 &rst     iat =  1665,  1667,  1673,  1675,
   r1 = -46.3, r2 = -45.3, r3 = -15.7, r4 = -14.7,
 &end

# 2 ALA PHI:  (1 MET C)-(2 ALA N)-(2 ALA CA)-(2 ALA C) -180.0   0.0
 &rst     iat =    18,    20,    22,    28,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 58 ASN PHI:  (57 GLU C)-(58 ASN N)-(58 ASN CA)-(58 ASN C) -180.0   0.0
 &rst     iat =   905,   907,   909,   919,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 60 LEU PHI:  (59 GLU C)-(60 LEU N)-(60 LEU CA)-(60 LEU C) -200.0   0.0
 &rst     iat =   934,   936,   938,   953,
   r1 = -201.0, r2 = -200.0, r3 =   0.0, r4 =   1.0,
 &end

# 65 LEU PHI:  (64 GLY C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -180.0   0.0
 &rst     iat =  1020,  1022,  1024,  1039,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 69 SER PHI:  (68 TYR C)-(69 SER N)-(69 SER CA)-(69 SER C) -180.0   0.0
 &rst     iat =  1097,  1099,  1101,  1108,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 71 TRP PHI:  (70 SER C)-(71 TRP N)-(71 TRP CA)-(71 TRP C) -180.0   0.0
 &rst     iat =  1119,  1121,  1123,  1143,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 74 PHE PHI:  (73 THR C)-(74 PHE N)-(74 PHE CA)-(74 PHE C) -180.0   0.0
 &rst     iat =  1171,  1173,  1175,  1191,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 82 GLU PHI:  (81 GLY C)-(82 GLU N)-(82 GLU CA)-(82 GLU C) -180.0   0.0
 &rst     iat =  1300,  1302,  1304,  1315,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 7 LEU CHI1:  (7 LEU N)-(7 LEU CA)-(7 LEU CB)-(7 LEU CG) 160.0 200.0
 &rst     iat =    87,    89,    91,    94,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 9 THR CHI1:  (9 THR N)-(9 THR CA)-(9 THR CB)-(9 THR OG1) -80.0 -40.0
 &rst     iat =   128,   130,   132,   138,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 10 THR CHI1:  (10 THR N)-(10 THR CA)-(10 THR CB)-(10 THR OG1) -80.0 -40.0
 &rst     iat =   142,   144,   146,   152,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 11 LEU CHI1:  (11 LEU N)-(11 LEU CA)-(11 LEU CB)-(11 LEU CG) -170.0 -40.0
 &rst     iat =   156,   158,   160,   163,
   r1 = -171.0, r2 = -170.0, r3 = -40.0, r4 = -39.0,
 &end

# 14 VAL CHI1:  (14 VAL N)-(14 VAL CA)-(14 VAL CB)-(14 VAL CG1) 160.0 300.0
 &rst     iat =   209,   211,   213,   215,
   r1 = 159.0, r2 = 160.0, r3 = 300.0, r4 = 301.0,
 &end

# 16 THR CHI1:  (16 THR N)-(16 THR CA)-(16 THR CB)-(16 THR OG1)  40.0  80.0
 &rst     iat =   241,   243,   245,   251,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 20 VAL CHI1:  (20 VAL N)-(20 VAL CA)-(20 VAL CB)-(20 VAL CG1)  40.0 210.0
 &rst     iat =   305,   307,   309,   311,
   r1 =  39.0, r2 =  40.0, r3 = 210.0, r4 = 211.0,
 &end

# 23 PHE CHI1:  (23 PHE N)-(23 PHE CA)-(23 PHE CB)-(23 PHE CG) -80.0  80.0
 &rst     iat =   356,   358,   360,   363,
   r1 = -81.0, r2 = -80.0, r3 =  80.0, r4 =  81.0,
 &end

# 32 GLN CHI1:  (32 GLN N)-(32 GLN CA)-(32 GLN CB)-(32 GLN CG) -80.0  80.0
 &rst     iat =   504,   506,   508,   511,
   r1 = -81.0, r2 = -80.0, r3 =  80.0, r4 =  81.0,
 &end

# 38 THR CHI1:  (38 THR N)-(38 THR CA)-(38 THR CB)-(38 THR OG1) -80.0 -40.0
 &rst     iat =   587,   589,   591,   597,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 39 VAL CHI1:  (39 VAL N)-(39 VAL CA)-(39 VAL CB)-(39 VAL CG1) 160.0 290.0
 &rst     iat =   601,   603,   605,   607,
   r1 = 159.0, r2 = 160.0, r3 = 290.0, r4 = 291.0,
 &end

# 40 VAL CHI1:  (40 VAL N)-(40 VAL CA)-(40 VAL CB)-(40 VAL CG1) 160.0 300.0
 &rst     iat =   617,   619,   621,   623,
   r1 = 159.0, r2 = 160.0, r3 = 300.0, r4 = 301.0,
 &end

# 42 ILE CHI1:  (42 ILE N)-(42 ILE CA)-(42 ILE CB)-(42 ILE CG1) -80.0 -40.0
 &rst     iat =   650,   652,   654,   660,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 43 LEU CHI1:  (43 LEU N)-(43 LEU CA)-(43 LEU CB)-(43 LEU CG) -80.0 -40.0
 &rst     iat =   669,   671,   673,   676,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 46 LEU CHI1:  (46 LEU N)-(46 LEU CA)-(46 LEU CB)-(46 LEU CG) -200.0 -40.0
 &rst     iat =   721,   723,   725,   728,
   r1 = -201.0, r2 = -200.0, r3 = -40.0, r4 = -39.0,
 &end

# 53 VAL CHI1:  (53 VAL N)-(53 VAL CA)-(53 VAL CB)-(53 VAL CG1) 160.0 200.0
 &rst     iat =   824,   826,   828,   830,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 55 ILE CHI1:  (55 ILE N)-(55 ILE CA)-(55 ILE CB)-(55 ILE CG1)  40.0 200.0
 &rst     iat =   854,   856,   858,   864,
   r1 =  39.0, r2 =  40.0, r3 = 200.0, r4 = 201.0,
 &end

# 56 LEU CHI1:  (56 LEU N)-(56 LEU CA)-(56 LEU CB)-(56 LEU CG) 160.0 290.0
 &rst     iat =   873,   875,   877,   880,
   r1 = 159.0, r2 = 160.0, r3 = 290.0, r4 = 291.0,
 &end

# 65 LEU CHI1:  (65 LEU N)-(65 LEU CA)-(65 LEU CB)-(65 LEU CG) -200.0 -40.0
 &rst     iat =  1022,  1024,  1026,  1029,
   r1 = -201.0, r2 = -200.0, r3 = -40.0, r4 = -39.0,
 &end

# 72 PRO CHI1:  (72 PRO N)-(72 PRO CA)-(72 PRO CB)-(72 PRO CG) -30.0  80.0
 &rst     iat =  1145,  1155,  1152,  1149,
   r1 = -31.0, r2 = -30.0, r3 =  80.0, r4 =  81.0,
 &end

# 77 LEU CHI1:  (77 LEU N)-(77 LEU CA)-(77 LEU CB)-(77 LEU CG) -200.0 -40.0
 &rst     iat =  1224,  1226,  1228,  1231,
   r1 = -201.0, r2 = -200.0, r3 = -40.0, r4 = -39.0,
 &end

# 89 ILE CHI1:  (89 ILE N)-(89 ILE CA)-(89 ILE CB)-(89 ILE CG1) -180.0 -30.0
 &rst     iat =  1394,  1396,  1398,  1404,
   r1 = -181.0, r2 = -180.0, r3 = -30.0, r4 = -29.0,
 &end

# 90 THR CHI1:  (90 THR N)-(90 THR CA)-(90 THR CB)-(90 THR OG1) -80.0 -40.0
 &rst     iat =  1413,  1415,  1417,  1423,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 91 VAL CHI1:  (91 VAL N)-(91 VAL CA)-(91 VAL CB)-(91 VAL CG1) 160.0 200.0
 &rst     iat =  1427,  1429,  1431,  1433,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 96 SER CHI1:  (96 SER N)-(96 SER CA)-(96 SER CB)-(96 SER OG) -80.0  80.0
 &rst     iat =  1511,  1513,  1515,  1518,
   r1 = -81.0, r2 = -80.0, r3 =  80.0, r4 =  81.0,
 &end

# 99 LEU CHI1:  (99 LEU N)-(99 LEU CA)-(99 LEU CB)-(99 LEU CG) 160.0 210.0
 &rst     iat =  1544,  1546,  1548,  1551,
   r1 = 159.0, r2 = 160.0, r3 = 210.0, r4 = 211.0,
 &end

# 103 VAL CHI1:  (103 VAL N)-(103 VAL CA)-(103 VAL CB)-(103 VAL CG1) 160.0 200.0
 &rst     iat =  1612,  1614,  1616,  1618,
   r1 = 159.0, r2 = 160.0, r3 = 200.0, r4 = 201.0,
 &end

# 104 GLU CHI1:  (104 GLU N)-(104 GLU CA)-(104 GLU CB)-(104 GLU CG) 160.0 280.0
 &rst     iat =  1628,  1630,  1632,  1635,
   r1 = 159.0, r2 = 160.0, r3 = 280.0, r4 = 281.0,
 &end

# 107 MET CHI1:  (107 MET N)-(107 MET CA)-(107 MET CB)-(107 MET CG) -80.0 -40.0
 &rst     iat =  1675,  1677,  1679,  1682,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

#
#  chirality for residue 1 atoms:  CA CG HB2 HB3
 &rst iat=5,10,8,9, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 150., 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:  N C HA CB
 &rst iat=20,28,23,24, &end
#
#  chirality for residue 3 atoms:  CA CG HB2 HB3
 &rst iat=32,37,35,36, &end
#
#  chirality for residue 3 atoms:  CB CD1 CD2 HG
 &rst iat=34,39,43,38, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=30,47,33,34, &end
#
#  chirality for residue 4 atoms:  CA CG2 OG1 HB
 &rst iat=51,55,59,54, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=49,61,52,53, &end
#
#  chirality for residue 5 atoms:  CA CG HB2 HB3
 &rst iat=73,67,71,72, &end
#
#  chirality for residue 5 atoms:  CB CD HG2 HG3
 &rst iat=70,64,68,69, &end
#
#  chirality for residue 5 atoms:  CG N HD2 HD3
 &rst iat=67,63,65,66, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=63,75,74,70, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=77,85,80,81, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=89,94,92,93, &end
#
#  chirality for residue 7 atoms:  CB CD1 CD2 HG
 &rst iat=91,96,100,95, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=87,104,90,91, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=108,113,111,112, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=110,116,114,115, &end
#
#  chirality for residue 8 atoms:  CD NZ HE2 HE3
 &rst iat=116,122,120,121, &end
#
#  chirality for residue 8 atoms:  CG CE HD2 HD3
 &rst iat=113,119,117,118, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=106,126,109,110, &end
#
#  chirality for residue 9 atoms:  CA CG2 OG1 HB
 &rst iat=130,134,138,133, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=128,140,131,132, &end
#
#  chirality for residue 10 atoms:  CA CG2 OG1 HB
 &rst iat=144,148,152,147, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=142,154,145,146, &end
#
#  chirality for residue 11 atoms:  CA CG HB2 HB3
 &rst iat=158,163,161,162, &end
#
#  chirality for residue 11 atoms:  CB CD1 CD2 HG
 &rst iat=160,165,169,164, &end
#
#  chirality for residue 11 atoms:  N C HA CB
 &rst iat=156,173,159,160, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=177,182,180,181, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=175,185,178,179, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=189,194,192,193, &end
#
#  chirality for residue 13 atoms:  CB CD HG2 HG3
 &rst iat=191,197,195,196, &end
#
#  chirality for residue 13 atoms:  CD NZ HE2 HE3
 &rst iat=197,203,201,202, &end
#
#  chirality for residue 13 atoms:  CG CE HD2 HD3
 &rst iat=194,200,198,199, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=187,207,190,191, &end
#
#  chirality for residue 14 atoms:  CA CG1 CG2 HB
 &rst iat=211,215,219,214, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=209,223,212,213, &end
#
#  chirality for residue 15 atoms:  CA CG1 CG2 HB
 &rst iat=227,231,235,230, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=225,239,228,229, &end
#
#  chirality for residue 16 atoms:  CA CG2 OG1 HB
 &rst iat=243,247,251,246, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=241,253,244,245, &end
#
#  chirality for residue 17 atoms:  CA OG HB2 HB3
 &rst iat=257,262,260,261, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=255,264,258,259, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=268,273,271,272, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=266,281,269,270, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=285,290,288,289, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=287,293,291,292, &end
#
#  chirality for residue 19 atoms:  CD NZ HE2 HE3
 &rst iat=293,299,297,298, &end
#
#  chirality for residue 19 atoms:  CG CE HD2 HD3
 &rst iat=290,296,294,295, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=283,303,286,287, &end
#
#  chirality for residue 20 atoms:  CA CG1 CG2 HB
 &rst iat=307,311,315,310, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=305,319,308,309, &end
#
#  chirality for residue 21 atoms:  CA CG1 CG2 HB
 &rst iat=323,327,331,326, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=321,335,324,325, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=339,344,342,343, &end
#
#  chirality for residue 22 atoms:  CB CD1 CD2 HG
 &rst iat=341,346,350,345, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=337,354,340,341, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=356,374,359,360, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=378,383,381,382, &end
#
#  chirality for residue 24 atoms:  CB SD HG2 HG3
 &rst iat=380,386,384,385, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=376,391,379,380, &end
#
#  chirality for residue 25 atoms:  CA CG HB2 HB3
 &rst iat=395,400,398,399, &end
#
#  chirality for residue 25 atoms:  CB CD HG2 HG3
 &rst iat=397,403,401,402, &end
#
#  chirality for residue 25 atoms:  CD NZ HE2 HE3
 &rst iat=403,409,407,408, &end
#
#  chirality for residue 25 atoms:  CG CE HD2 HD3
 &rst iat=400,406,404,405, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=393,413,396,397, &end
#
#  chirality for residue 26 atoms:  N C HA2 HA3
 &rst iat=415,420,418,419, &end
#
#  chirality for residue 27 atoms:  CA CG2 OG1 HB
 &rst iat=424,428,432,427, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=422,434,425,426, &end
#
#  chirality for residue 28 atoms:  CA CG HB2 HB3
 &rst iat=438,443,441,442, &end
#
#  chirality for residue 28 atoms:  CB CD HG2 HG3
 &rst iat=440,446,444,445, &end
#
#  chirality for residue 28 atoms:  CD NZ HE2 HE3
 &rst iat=446,452,450,451, &end
#
#  chirality for residue 28 atoms:  CG CE HD2 HD3
 &rst iat=443,449,447,448, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=436,456,439,440, &end
#
#  chirality for residue 29 atoms:  CA CG HB2 HB3
 &rst iat=460,465,463,464, &end
#
#  chirality for residue 29 atoms:  N C HA CB
 &rst iat=458,468,461,462, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=472,477,475,476, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=470,488,473,474, &end
#
#  chirality for residue 31 atoms:  CA CG HB2 HB3
 &rst iat=500,494,498,499, &end
#
#  chirality for residue 31 atoms:  CB CD HG2 HG3
 &rst iat=497,491,495,496, &end
#
#  chirality for residue 31 atoms:  CG N HD2 HD3
 &rst iat=494,490,492,493, &end
#
#  chirality for residue 31 atoms:  N C HA CB
 &rst iat=490,502,501,497, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=506,511,509,510, &end
#
#  chirality for residue 32 atoms:  CB CD HG2 HG3
 &rst iat=508,514,512,513, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=504,519,507,508, &end
#
#  chirality for residue 33 atoms:  CA SG HB2 HB3
 &rst iat=523,528,526,527, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=521,530,524,525, &end
#
#  chirality for residue 34 atoms:  N C HA2 HA3
 &rst iat=532,537,535,536, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=541,546,544,545, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=539,557,542,543, &end
#
#  chirality for residue 36 atoms:  CA OG HB2 HB3
 &rst iat=561,566,564,565, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=559,568,562,563, &end
#
#  chirality for residue 37 atoms:  CA CG HB2 HB3
 &rst iat=572,577,575,576, &end
#
#  chirality for residue 37 atoms:  CB CD HG2 HG3
 &rst iat=574,580,578,579, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=570,585,573,574, &end
#
#  chirality for residue 38 atoms:  CA CG2 OG1 HB
 &rst iat=589,593,597,592, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=587,599,590,591, &end
#
#  chirality for residue 39 atoms:  CA CG1 CG2 HB
 &rst iat=603,607,611,606, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=601,615,604,605, &end
#
#  chirality for residue 40 atoms:  CA CG1 CG2 HB
 &rst iat=619,623,627,622, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=617,631,620,621, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=635,640,638,639, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=637,643,641,642, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=633,648,636,637, &end
#
#  chirality for residue 42 atoms:  CA CG2 CG1 HB
 &rst iat=652,656,660,655, &end
#
#  chirality for residue 42 atoms:  CB CD1 HG12 HG13
 &rst iat=654,663,661,662, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=650,667,653,654, &end
#
#  chirality for residue 43 atoms:  CA CG HB2 HB3
 &rst iat=671,676,674,675, &end
#
#  chirality for residue 43 atoms:  CB CD1 CD2 HG
 &rst iat=673,678,682,677, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=669,686,672,673, &end
#
#  chirality for residue 44 atoms:  CA CG HB2 HB3
 &rst iat=690,695,693,694, &end
#
#  chirality for residue 44 atoms:  CB CD HG2 HG3
 &rst iat=692,698,696,697, &end
#
#  chirality for residue 44 atoms:  CD NZ HE2 HE3
 &rst iat=698,704,702,703, &end
#
#  chirality for residue 44 atoms:  CG CE HD2 HD3
 &rst iat=695,701,699,700, &end
#
#  chirality for residue 44 atoms:  N C HA CB
 &rst iat=688,708,691,692, &end
#
#  chirality for residue 45 atoms:  CA OG HB2 HB3
 &rst iat=712,717,715,716, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=710,719,713,714, &end
#
#  chirality for residue 46 atoms:  CA CG HB2 HB3
 &rst iat=723,728,726,727, &end
#
#  chirality for residue 46 atoms:  CB CD1 CD2 HG
 &rst iat=725,730,734,729, &end
#
#  chirality for residue 46 atoms:  N C HA CB
 &rst iat=721,738,724,725, &end
#
#  chirality for residue 47 atoms:  CA CG HB2 HB3
 &rst iat=742,747,745,746, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=740,752,743,744, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=754,762,757,758, &end
#
#  chirality for residue 49 atoms:  CA CG HB2 HB3
 &rst iat=774,768,772,773, &end
#
#  chirality for residue 49 atoms:  CB CD HG2 HG3
 &rst iat=771,765,769,770, &end
#
#  chirality for residue 49 atoms:  CG N HD2 HD3
 &rst iat=768,764,766,767, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=764,776,775,771, &end
#
#  chirality for residue 50 atoms:  CA CG HB2 HB3
 &rst iat=780,785,783,784, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=778,796,781,782, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=800,805,803,804, &end
#
#  chirality for residue 51 atoms:  CB CD HG2 HG3
 &rst iat=802,808,806,807, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=798,811,801,802, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=815,820,818,819, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=813,822,816,817, &end
#
#  chirality for residue 53 atoms:  CA CG1 CG2 HB
 &rst iat=826,830,834,829, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=824,838,827,828, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=842,847,845,846, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=840,852,843,844, &end
#
#  chirality for residue 55 atoms:  CA CG2 CG1 HB
 &rst iat=856,860,864,859, &end
#
#  chirality for residue 55 atoms:  CB CD1 HG12 HG13
 &rst iat=858,867,865,866, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=854,871,857,858, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=875,880,878,879, &end
#
#  chirality for residue 56 atoms:  CB CD1 CD2 HG
 &rst iat=877,882,886,881, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=873,890,876,877, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=894,899,897,898, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=896,902,900,901, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=892,905,895,896, &end
#
#  chirality for residue 58 atoms:  CA CG HB2 HB3
 &rst iat=909,914,912,913, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=907,919,910,911, &end
#
#  chirality for residue 59 atoms:  CA CG HB2 HB3
 &rst iat=923,928,926,927, &end
#
#  chirality for residue 59 atoms:  CB CD HG2 HG3
 &rst iat=925,931,929,930, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=921,934,924,925, &end
#
#  chirality for residue 60 atoms:  CA CG HB2 HB3
 &rst iat=938,943,941,942, &end
#
#  chirality for residue 60 atoms:  CB CD1 CD2 HG
 &rst iat=940,945,949,944, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=936,953,939,940, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=957,962,960,961, &end
#
#  chirality for residue 61 atoms:  CB CD1 CD2 HG
 &rst iat=959,964,968,963, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=955,972,958,959, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=976,981,979,980, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=978,984,982,983, &end
#
#  chirality for residue 62 atoms:  CG NE HD2 HD3
 &rst iat=981,987,985,986, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=974,996,977,978, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=1000,1005,1003,1004, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=1002,1008,1006,1007, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=998,1013,1001,1002, &end
#
#  chirality for residue 64 atoms:  N C HA2 HA3
 &rst iat=1015,1020,1018,1019, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=1024,1029,1027,1028, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=1026,1031,1035,1030, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=1022,1039,1025,1026, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1043,1048,1046,1047, &end
#
#  chirality for residue 66 atoms:  CB CD HG2 HG3
 &rst iat=1045,1051,1049,1050, &end
#
#  chirality for residue 66 atoms:  CD NZ HE2 HE3
 &rst iat=1051,1057,1055,1056, &end
#
#  chirality for residue 66 atoms:  CG CE HD2 HD3
 &rst iat=1048,1054,1052,1053, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1041,1061,1044,1045, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1065,1070,1068,1069, &end
#
#  chirality for residue 67 atoms:  CB CD HG2 HG3
 &rst iat=1067,1073,1071,1072, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1063,1076,1066,1067, &end
#
#  chirality for residue 68 atoms:  CA CG HB2 HB3
 &rst iat=1080,1085,1083,1084, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1078,1097,1081,1082, &end
#
#  chirality for residue 69 atoms:  CA OG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1099,1108,1102,1103, &end
#
#  chirality for residue 70 atoms:  CA OG HB2 HB3
 &rst iat=1112,1117,1115,1116, &end
#
#  chirality for residue 70 atoms:  N C HA CB
 &rst iat=1110,1119,1113,1114, &end
#
#  chirality for residue 71 atoms:  CA CG HB2 HB3
 &rst iat=1123,1128,1126,1127, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1121,1143,1124,1125, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1155,1149,1153,1154, &end
#
#  chirality for residue 72 atoms:  CB CD HG2 HG3
 &rst iat=1152,1146,1150,1151, &end
#
#  chirality for residue 72 atoms:  CG N HD2 HD3
 &rst iat=1149,1145,1147,1148, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1145,1157,1156,1152, &end
#
#  chirality for residue 73 atoms:  CA CG2 OG1 HB
 &rst iat=1161,1165,1169,1164, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1159,1171,1162,1163, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1175,1180,1178,1179, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1173,1191,1176,1177, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1203,1197,1201,1202, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1200,1194,1198,1199, &end
#
#  chirality for residue 75 atoms:  CG N HD2 HD3
 &rst iat=1197,1193,1195,1196, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1193,1205,1204,1200, &end
#
#  chirality for residue 76 atoms:  CA CG HB2 HB3
 &rst iat=1209,1214,1212,1213, &end
#
#  chirality for residue 76 atoms:  CB CD HG2 HG3
 &rst iat=1211,1217,1215,1216, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1207,1222,1210,1211, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1226,1231,1229,1230, &end
#
#  chirality for residue 77 atoms:  CB CD1 CD2 HG
 &rst iat=1228,1233,1237,1232, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1224,1241,1227,1228, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1245,1250,1248,1249, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1243,1262,1246,1247, &end
#
#  chirality for residue 79 atoms:  CA CG2 CG1 HB
 &rst iat=1266,1270,1274,1269, &end
#
#  chirality for residue 79 atoms:  CB CD1 HG12 HG13
 &rst iat=1268,1277,1275,1276, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1264,1281,1267,1268, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1285,1290,1288,1289, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1283,1293,1286,1287, &end
#
#  chirality for residue 81 atoms:  N C HA2 HA3
 &rst iat=1295,1300,1298,1299, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1304,1309,1307,1308, &end
#
#  chirality for residue 82 atoms:  CB CD HG2 HG3
 &rst iat=1306,1312,1310,1311, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1302,1315,1305,1306, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1319,1324,1322,1323, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1317,1335,1320,1321, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1339,1344,1342,1343, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1337,1355,1340,1341, &end
#
#  chirality for residue 85 atoms:  N C HA2 HA3
 &rst iat=1357,1362,1360,1361, &end
#
#  chirality for residue 86 atoms:  N C HA2 HA3
 &rst iat=1364,1369,1367,1368, &end
#
#  chirality for residue 87 atoms:  CA SG HB2 HB3
 &rst iat=1373,1378,1376,1377, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1371,1380,1374,1375, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1384,1389,1387,1388, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1382,1392,1385,1386, &end
#
#  chirality for residue 89 atoms:  CA CG2 CG1 HB
 &rst iat=1396,1400,1404,1399, &end
#
#  chirality for residue 89 atoms:  CB CD1 HG12 HG13
 &rst iat=1398,1407,1405,1406, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1394,1411,1397,1398, &end
#
#  chirality for residue 90 atoms:  CA CG2 OG1 HB
 &rst iat=1415,1419,1423,1418, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1413,1425,1416,1417, &end
#
#  chirality for residue 91 atoms:  CA CG1 CG2 HB
 &rst iat=1429,1433,1437,1432, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1427,1441,1430,1431, &end
#
#  chirality for residue 92 atoms:  CA CG HB2 HB3
 &rst iat=1445,1450,1448,1449, &end
#
#  chirality for residue 92 atoms:  CB CD HG2 HG3
 &rst iat=1447,1453,1451,1452, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1443,1456,1446,1447, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1458,1466,1461,1462, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1470,1475,1473,1474, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1468,1487,1471,1472, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1491,1496,1494,1495, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1493,1499,1497,1498, &end
#
#  chirality for residue 95 atoms:  CD NZ HE2 HE3
 &rst iat=1499,1505,1503,1504, &end
#
#  chirality for residue 95 atoms:  CG CE HD2 HD3
 &rst iat=1496,1502,1500,1501, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1489,1509,1492,1493, &end
#
#  chirality for residue 96 atoms:  CA OG HB2 HB3
 &rst iat=1513,1518,1516,1517, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1511,1520,1514,1515, &end
#
#  chirality for residue 97 atoms:  N C HA2 HA3
 &rst iat=1522,1527,1525,1526, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1531,1536,1534,1535, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1533,1539,1537,1538, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1529,1542,1532,1533, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1546,1551,1549,1550, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1548,1553,1557,1552, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1544,1561,1547,1548, &end
#
#  chirality for residue 100 atoms:  CA CG HB2 HB3
 &rst iat=1565,1570,1568,1569, &end
#
#  chirality for residue 100 atoms:  CB CD HG2 HG3
 &rst iat=1567,1573,1571,1572, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1563,1578,1566,1567, &end
#
#  chirality for residue 101 atoms:  CA CG HB2 HB3
 &rst iat=1582,1587,1585,1586, &end
#
#  chirality for residue 101 atoms:  CB CD HG2 HG3
 &rst iat=1584,1590,1588,1589, &end
#
#  chirality for residue 101 atoms:  N C HA CB
 &rst iat=1580,1593,1583,1584, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1597,1602,1600,1601, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1599,1605,1603,1604, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1595,1610,1598,1599, &end
#
#  chirality for residue 103 atoms:  CA CG1 CG2 HB
 &rst iat=1614,1618,1622,1617, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1612,1626,1615,1616, &end
#
#  chirality for residue 104 atoms:  CA CG HB2 HB3
 &rst iat=1630,1635,1633,1634, &end
#
#  chirality for residue 104 atoms:  CB CD HG2 HG3
 &rst iat=1632,1638,1636,1637, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1628,1641,1631,1632, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1645,1650,1648,1649, &end
#
#  chirality for residue 105 atoms:  CB CD HG2 HG3
 &rst iat=1647,1653,1651,1652, &end
#
#  chirality for residue 105 atoms:  CD NZ HE2 HE3
 &rst iat=1653,1659,1657,1658, &end
#
#  chirality for residue 105 atoms:  CG CE HD2 HD3
 &rst iat=1650,1656,1654,1655, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1643,1663,1646,1647, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1665,1673,1668,1669, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1677,1682,1680,1681, &end
#
#  chirality for residue 107 atoms:  CB SD HG2 HG3
 &rst iat=1679,1685,1683,1684, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1675,1690,1678,1679, &end
#
#  chirality for residue 108 atoms:  CA SG HB2 HB3
 &rst iat=1694,1699,1697,1698, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1692,1701,1695,1696, &end
#
#  chirality for residue 109 atoms:  CA OG HB2 HB3
 &rst iat=1705,1710,1708,1709, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1703,1712,1706,1707, &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=32,30,28,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=51,49,47,32, &end
#
#  trans-omega constraint for residue 5
 &rst iat=73,63,61,51, &end
#
#  trans-omega constraint for residue 6
 &rst iat=79,77,75,73, &end
#
#  trans-omega constraint for residue 7
 &rst iat=89,87,85,79, &end
#
#  trans-omega constraint for residue 8
 &rst iat=108,106,104,89, &end
#
#  trans-omega constraint for residue 9
 &rst iat=130,128,126,108, &end
#
#  trans-omega constraint for residue 10
 &rst iat=144,142,140,130, &end
#
#  trans-omega constraint for residue 11
 &rst iat=158,156,154,144, &end
#
#  trans-omega constraint for residue 12
 &rst iat=177,175,173,158, &end
#
#  trans-omega constraint for residue 13
 &rst iat=189,187,185,177, &end
#
#  trans-omega constraint for residue 14
 &rst iat=211,209,207,189, &end
#
#  trans-omega constraint for residue 15
 &rst iat=227,225,223,211, &end
#
#  trans-omega constraint for residue 16
 &rst iat=243,241,239,227, &end
#
#  trans-omega constraint for residue 17
 &rst iat=257,255,253,243, &end
#
#  trans-omega constraint for residue 18
 &rst iat=268,266,264,257, &end
#
#  trans-omega constraint for residue 19
 &rst iat=285,283,281,268, &end
#
#  trans-omega constraint for residue 20
 &rst iat=307,305,303,285, &end
#
#  trans-omega constraint for residue 21
 &rst iat=323,321,319,307, &end
#
#  trans-omega constraint for residue 22
 &rst iat=339,337,335,323, &end
#
#  trans-omega constraint for residue 23
 &rst iat=358,356,354,339, &end
#
#  trans-omega constraint for residue 24
 &rst iat=378,376,374,358, &end
#
#  trans-omega constraint for residue 25
 &rst iat=395,393,391,378, &end
#
#  trans-omega constraint for residue 26
 &rst iat=417,415,413,395, &end
#
#  trans-omega constraint for residue 27
 &rst iat=424,422,420,417, &end
#
#  trans-omega constraint for residue 28
 &rst iat=438,436,434,424, &end
#
#  trans-omega constraint for residue 29
 &rst iat=460,458,456,438, &end
#
#  trans-omega constraint for residue 30
 &rst iat=472,470,468,460, &end
#
#  trans-omega constraint for residue 31
 &rst iat=500,490,488,472, &end
#
#  trans-omega constraint for residue 32
 &rst iat=506,504,502,500, &end
#
#  trans-omega constraint for residue 33
 &rst iat=523,521,519,506, &end
#
#  trans-omega constraint for residue 34
 &rst iat=534,532,530,523, &end
#
#  trans-omega constraint for residue 35
 &rst iat=541,539,537,534, &end
#
#  trans-omega constraint for residue 36
 &rst iat=561,559,557,541, &end
#
#  trans-omega constraint for residue 37
 &rst iat=572,570,568,561, &end
#
#  trans-omega constraint for residue 38
 &rst iat=589,587,585,572, &end
#
#  trans-omega constraint for residue 39
 &rst iat=603,601,599,589, &end
#
#  trans-omega constraint for residue 40
 &rst iat=619,617,615,603, &end
#
#  trans-omega constraint for residue 41
 &rst iat=635,633,631,619, &end
#
#  trans-omega constraint for residue 42
 &rst iat=652,650,648,635, &end
#
#  trans-omega constraint for residue 43
 &rst iat=671,669,667,652, &end
#
#  trans-omega constraint for residue 44
 &rst iat=690,688,686,671, &end
#
#  trans-omega constraint for residue 45
 &rst iat=712,710,708,690, &end
#
#  trans-omega constraint for residue 46
 &rst iat=723,721,719,712, &end
#
#  trans-omega constraint for residue 47
 &rst iat=742,740,738,723, &end
#
#  trans-omega constraint for residue 48
 &rst iat=756,754,752,742, &end
#
#  trans-omega constraint for residue 49
 &rst iat=774,764,762,756, &end
#
#  trans-omega constraint for residue 50
 &rst iat=780,778,776,774, &end
#
#  trans-omega constraint for residue 51
 &rst iat=800,798,796,780, &end
#
#  trans-omega constraint for residue 52
 &rst iat=815,813,811,800, &end
#
#  trans-omega constraint for residue 53
 &rst iat=826,824,822,815, &end
#
#  trans-omega constraint for residue 54
 &rst iat=842,840,838,826, &end
#
#  trans-omega constraint for residue 55
 &rst iat=856,854,852,842, &end
#
#  trans-omega constraint for residue 56
 &rst iat=875,873,871,856, &end
#
#  trans-omega constraint for residue 57
 &rst iat=894,892,890,875, &end
#
#  trans-omega constraint for residue 58
 &rst iat=909,907,905,894, &end
#
#  trans-omega constraint for residue 59
 &rst iat=923,921,919,909, &end
#
#  trans-omega constraint for residue 60
 &rst iat=938,936,934,923, &end
#
#  trans-omega constraint for residue 61
 &rst iat=957,955,953,938, &end
#
#  trans-omega constraint for residue 62
 &rst iat=976,974,972,957, &end
#
#  trans-omega constraint for residue 63
 &rst iat=1000,998,996,976, &end
#
#  trans-omega constraint for residue 64
 &rst iat=1017,1015,1013,1000, &end
#
#  trans-omega constraint for residue 65
 &rst iat=1024,1022,1020,1017, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1043,1041,1039,1024, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1065,1063,1061,1043, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1080,1078,1076,1065, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1101,1099,1097,1080, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1112,1110,1108,1101, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1123,1121,1119,1112, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1155,1145,1143,1123, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1161,1159,1157,1155, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1175,1173,1171,1161, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1209,1207,1205,1203, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1226,1224,1222,1209, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1245,1243,1241,1226, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1266,1264,1262,1245, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1285,1283,1281,1266, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1297,1295,1293,1285, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1304,1302,1300,1297, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1319,1317,1315,1304, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1339,1337,1335,1319, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1359,1357,1355,1339, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1366,1364,1362,1359, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1373,1371,1369,1366, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1384,1382,1380,1373, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1396,1394,1392,1384, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1415,1413,1411,1396, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1429,1427,1425,1415, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1445,1443,1441,1429, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1460,1458,1456,1445, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1470,1468,1466,1460, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1491,1489,1487,1470, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1513,1511,1509,1491, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1524,1522,1520,1513, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1531,1529,1527,1524, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1546,1544,1542,1531, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1565,1563,1561,1546, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1582,1580,1578,1565, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1597,1595,1593,1582, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1614,1612,1610,1597, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1630,1628,1626,1614, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1645,1643,1641,1630, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1667,1665,1663,1645, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1677,1675,1673,1667, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1694,1692,1690,1677, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1705,1703,1701,1694, &end
#
#  cis-omega constraint for residue 75
 &rst iat=1203,1193,1191,1175,
   r1=-30., r2=-10., r3=10., r4=30., rk2 = 150., rk3=150., &end
#
# 6 ALA O 10 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 143, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=1,
 &end
#
# 7 LEU O 11 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 157, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 8 LYS O 12 ASP HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 176, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 10 THR O 14 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 210, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 11 LEU O 15 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 226, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 12 ASP O 16 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 242, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 78 TYR O 21 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1263, 322, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 51 GLU O 22 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 812, 338, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 76 GLN O 23 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1223, 357, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 53 VAL O 24 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 839, 377, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 34 GLY O 38 THR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 538, 588, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 35 PHE O 39 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 558, 602, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 36 SER O 40 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 618, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 37 GLN O 41 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 634, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 40 VAL O 44 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 632, 689, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 41 GLN O 45 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 711, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 42 ILE O 46 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 668, 722, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 43 LEU O 47 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 687, 741, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 44 LYS O 48 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 709, 755, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 20 VAL O 51 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 799, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 22 LEU O 53 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 825, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 24 MET O 55 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 855, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 60 LEU O 64 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 954,1016, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 66 LYS O 70 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1062,1111, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 23 PHE O 76 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 375,1208, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 21 VAL O 78 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 336,1244, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 82 GLU O 79 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1316,1265, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 79 ILE O 82 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1282,1303, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 77 LEU O 84 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1242,1338, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 87 CYS O 91 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1381,1428, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 88 ASP O 92 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1393,1444, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 89 ILE O 93 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1412,1459, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 90 THR O 94 TYR HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1426,1469, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 91 VAL O 95 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1442,1490, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 92 GLU O 96 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1457,1512, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 93 ALA O 97 GLY HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1523, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 93 ALA O 98 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1530, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 93 ALA O 99 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1467,1545, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 97 GLY O 101 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1528,1581, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 98 GLU O 102 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1543,1596, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 99 LEU O 103 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1562,1613, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 100 GLN O 104 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1579,1629, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 101 GLU O 105 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1594,1644, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 102 GLN O 106 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1611,1666, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 103 VAL O 107 MET HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1627,1676, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 104 GLU O 108 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1642,1693, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 105 LYS O 109 SER HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1664,1704, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
#   98 GLU  HN           97 GLY  HN          4.50    (#      0:10  Unique         2.37, 2.50 A)
 &rst
  ixpk= 0, nxpk= 10, iat=1530,1523, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#    0 AMB  10-2:1       97 GLY  HN          6.00    (#      1:10  Single Ambig)
 &rst
  ixpk= 1, nxpk= 10, iat=  -1,1523, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1534,1535,1534,1535,1568,1569,
 &end
#
#   98 GLU  HG+          98 GLU  HN          4.50    (#      2:10  Unique         2.14, 2.83 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1537,1538,
 &end
#
#   98 GLU  HG-          98 GLU  HN          6.00    (#      3:10  Unique         2.14, 2.83 A)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1537,1538,
 &end
#
#    0 AMB  10-2:4       98 GLU  HN          6.00    (#      4:10  Single Ambig)
 &rst
  ixpk= 4, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1=1463,1464,1465,1549,1550,
 &end
#
#   99 LEU  HN           98 GLU  HN          4.50    (#      5:10  Unique         2.47, 2.59 A)
 &rst
  ixpk= 5, nxpk= 10, iat=1545,1530, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLY  HN           98 GLU  HN          3.50    (#      6:10  Unique         2.37, 2.50 A)
 &rst
  ixpk= 6, nxpk= 10, iat=1523,1530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLY  HA+          98 GLU  HN          6.00    (#      8:10  Unique         3.23, 3.30 A)
 &rst
  ixpk= 8, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1525,1526,
 &end
#
#   98 GLU  HA           98 GLU  HN          3.50    (#      9:10  Unique         2.89, 2.91 A)
 &rst
  ixpk= 9, nxpk= 10, iat=1532,1530, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLY  HA-          98 GLU  HN          4.50    (#     10:10  Unique         3.23, 3.30 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1525,1526,
 &end
#
#    0 AMB  10-2:11      98 GLU  HN          2.80    (#     11:10  Single Ambig)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1,1530, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1534,1535,1534,1535,
 &end
#
#  108 CYS  HA          109 SER  HN          4.50    (#     13:10  Unique         3.31, 3.51 A)
 &rst
  ixpk= 13, nxpk= 10, iat=1695,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  109 SER  HA          109 SER  HN          3.50    (#     14:10  Unique         2.20, 2.29 A)
 &rst
  ixpk= 14, nxpk= 10, iat=1706,1704, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:15     109 SER  HN          3.50    (#     15:10  Single Ambig)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1708,1709,1708,1709,
 &end
#
#   96 SER  HN           97 GLY  HN          3.50    (#     16:10  Unique         2.53, 2.60 A)
 &rst
  ixpk= 16, nxpk= 10, iat=1512,1523, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLY  HA+          97 GLY  HN          3.50    (#     17:10  Unique         2.34, 2.66 A)
 &rst
  ixpk= 17, nxpk= 10, iat=  -1,1523, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1525,1526,
 &end
#
#   97 GLY  HA-          97 GLY  HN          2.80    (#     18:10  Unique         2.34, 2.66 A)
 &rst
  ixpk= 18, nxpk= 10, iat=  -1,1523, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1525,1526,
 &end
#
#    0 AMB  10-2:19      97 GLY  HN          6.00    (#     19:10  Single Ambig)
 &rst
  ixpk= 19, nxpk= 10, iat=  -1,1523, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1=1549,1550,1463,1464,1465,
 &end
#
#    0 AMB  10-2:20     109 SER  HN          6.00    (#     20:10  Single Ambig)
 &rst
  ixpk= 20, nxpk= 10, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1697,1698,1697,1698,
 &end
#
#   10 THR  HB           11 LEU  HN          4.50    (#     21:10  Unique         2.37, 2.50 A)
 &rst
  ixpk= 21, nxpk= 10, iat= 147, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:22      11 LEU  HN          3.50    (#     22:10  Single Ambig)
 &rst
  ixpk= 22, nxpk= 10, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 159, 109,
 &end
#
#   10 THR  HN           11 LEU  HN          4.50    (#     23:10  Unique         2.53, 2.73 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 143, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 LEU  HG           11 LEU  HN          4.50    (#     24:10  Unique         2.25, 2.84 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 164, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:25      11 LEU  HN          4.50    (#     25:10  Single Ambig)
 &rst
  ixpk= 25, nxpk= 10, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,  95,
 &end
#
#   11 LEU  MDY          11 LEU  HN          6.00    (#     26:10  Unique         2.34, 4.30 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#   11 LEU  MDX          11 LEU  HN          4.50    (#     27:10  Unique         2.34, 4.30 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#    0 AMB  10-2:28       0 AMB  10-1:28     3.50    (#     28:10  Double Ambig)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.14, r4= 5.89,
 igr1= 803, 804, 149, 150, 151,
 igr2= 799, 157,
 &end
#
#    0 AMB  10-2:29       0 AMB  10-1:29     6.00    (#     29:10  Double Ambig)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 176, 814,
 igr2= 157, 799,
 &end
#
#   91 VAL  HA           91 VAL  HN          4.50    (#     30:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 30, nxpk= 10, iat=1430,1428, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HB           91 VAL  HN          3.50    (#     31:10  Unique         2.33, 2.42 A)
 &rst
  ixpk= 31, nxpk= 10, iat=1432,1428, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  MGY          91 VAL  HN          2.80    (#     32:10  Unique         2.32, 3.92 A)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1,1428, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#   90 THR  HN           91 VAL  HN          6.00    (#     33:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 33, nxpk= 10, iat=1414,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   50 PHE  HD           51 GLU  HN          6.00    (#     34:10  Unique         2.91, 4.55 A)
 &rst
  ixpk= 34, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 787, 795,
 &end
#
#   50 PHE  HA           51 GLU  HN          2.80    (#     35:10  Unique         2.22, 2.34 A)
 &rst
  ixpk= 35, nxpk= 10, iat= 781, 799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 VAL  HA           51 GLU  HN          6.00    (#     36:10  Unique         2.03, 2.51 A)
 &rst
  ixpk= 36, nxpk= 10, iat= 324, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   50 PHE  HB-          51 GLU  HN          3.50    (#     37:10  Unique         2.39, 3.37 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 783, 784,
 &end
#
#   21 VAL  MGY          51 GLU  HN          6.00    (#     38:10  Unique         3.42, 5.02 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   51 GLU  HA           51 GLU  HN          6.00    (#     39:10  Unique         2.93, 2.98 A)
 &rst
  ixpk= 39, nxpk= 10, iat= 801, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:40      51 GLU  HN          6.00    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 783, 784, 271, 272,
 &end
#
#   69 SER  HN           68 TYR  HN          6.00    (#     41:10  Unique         2.70, 2.83 A)
 &rst
  ixpk= 41, nxpk= 10, iat=1100,1079, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   90 THR  HB           91 VAL  HN          4.50    (#     42:10  Unique         2.53, 2.60 A)
 &rst
  ixpk= 42, nxpk= 10, iat=1418,1428, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 GLU  HN           91 VAL  HN          6.00    (#     43:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1444,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   67 GLU  HN           68 TYR  HN          3.50    (#     44:10  Unique         2.42, 2.65 A)
 &rst
  ixpk= 44, nxpk= 10, iat=1064,1079, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:45      68 TYR  HN          3.50    (#     45:10  Single Ambig)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1081,1025,
 &end
#
#    0 AMB  10-2:46      68 TYR  HN          4.50    (#     46:10  Single Ambig)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1068,1069,1068,1069,
 &end
#
#    0 AMB  10-2:47      68 TYR  HN          6.00    (#     47:10  Single Ambig)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 &end
#
#    0 AMB  10-2:48      68 TYR  HN          6.00    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1066,1102,
 &end
#
#    0 AMB  10-2:49      68 TYR  HN          2.80    (#     49:10  Single Ambig)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1083,1084,1083,1084,
 &end
#
#   64 GLY  HN           65 LEU  HN          6.00    (#     50:10  Unique         2.50, 2.74 A)
 &rst
  ixpk= 50, nxpk= 10, iat=1016,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   65 LEU  HB+          65 LEU  HN          3.50    (#     51:10  Unique         2.24, 2.62 A)
 &rst
  ixpk= 51, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#   65 LEU  HG           65 LEU  HN          6.00    (#     52:10  Unique         2.41, 3.97 A)
 &rst
  ixpk= 52, nxpk= 10, iat=1030,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   37 GLN  HB-          37 GLN  HN          3.50    (#     53:10  Unique         2.33, 2.59 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 575, 576,
 &end
#
#   37 GLN  HA           37 GLN  HN          6.00    (#     54:10  Unique         2.77, 2.84 A)
 &rst
  ixpk= 54, nxpk= 10, iat= 573, 571, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:55      37 GLN  HN          3.50    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 578, 579, 578, 579, 575, 576,
 &end
#
#    0 AMB  10-2:56      37 GLN  HN          6.00    (#     56:10  Single Ambig)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 571, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 498, 499, 495, 496,
 &end
#
#   38 THR  HB           37 GLN  HN          6.00    (#     57:10  Unique         4.95, 5.13 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 592, 571, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   65 LEU  HA           65 LEU  HN          6.00    (#     58:10  Unique         2.79, 2.86 A)
 &rst
  ixpk= 58, nxpk= 10, iat=1025,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   66 LYS  HN           65 LEU  HN          6.00    (#     59:10  Unique         2.47, 2.87 A)
 &rst
  ixpk= 59, nxpk= 10, iat=1042,1023, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:60      65 LEU  HN          6.00    (#     60:10  Single Ambig)
 &rst
  ixpk= 60, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 958,1018,1019,
 &end
#
#   65 LEU  HB-          65 LEU  HN          4.50    (#     61:10  Unique         2.24, 2.62 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,
 &end
#
#    0 AMB  10-2:62      65 LEU  HN          4.50    (#     62:10  Single Ambig)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   92 GLU  HN           93 ALA  HN          3.50    (#     63:10  Unique         2.65, 2.72 A)
 &rst
  ixpk= 63, nxpk= 10, iat=1444,1459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:64       0 AMB  10-1:64     3.50    (#     64:10  Double Ambig)
 &rst
  ixpk= 64, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1461, 244,
 igr2=1459, 284,
 &end
#
#   92 GLU  HA           93 ALA  HN          4.50    (#     65:10  Unique         3.58, 3.60 A)
 &rst
  ixpk= 65, nxpk= 10, iat=1446,1459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:66       0 AMB  10-1:66     4.50    (#     66:10  Double Ambig)
 &rst
  ixpk= 66, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1416, 212,
 igr2=1459, 284,
 &end
#
#   92 GLU  HG+          93 ALA  HN          6.00    (#     67:10  Unique         2.69, 4.73 A)
 &rst
  ixpk= 67, nxpk= 10, iat=  -1,1459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1451,1452,
 &end
#
#   93 ALA  MB           93 ALA  HN          2.80    (#     68:10  Unique         2.38, 2.82 A)
 &rst
  ixpk= 68, nxpk= 10, iat=  -1,1459, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1463,1464,1465,
 &end
#
#   94 TYR  HN           93 ALA  HN          3.50    (#     69:10  Unique         2.68, 2.76 A)
 &rst
  ixpk= 69, nxpk= 10, iat=1469,1459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:70       0 AMB  10-1:70     2.80    (#     70:10  Double Ambig)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 288, 289,1448,1449,1448,1449,
 igr2= 284,1459,
 &end
#
#   63 GLN  HN           64 GLY  HN          3.50    (#     71:10  Unique         2.11, 2.44 A)
 &rst
  ixpk= 71, nxpk= 10, iat= 999,1016, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:72      64 GLY  HN          2.80    (#     72:10  Single Ambig)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1018,1019, 958,
 &end
#
#   64 GLY  HA-          64 GLY  HN          3.50    (#     73:10  Unique         2.25, 2.58 A)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1018,1019,
 &end
#
#    0 AMB  10-2:74      64 GLY  HN          4.50    (#     74:10  Single Ambig)
 &rst
  ixpk= 74, nxpk= 10, iat=  -1,1016, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,
 &end
#
#   65 LEU  HN           64 GLY  HN          4.50    (#     75:10  Unique         2.50, 2.74 A)
 &rst
  ixpk= 75, nxpk= 10, iat=1023,1016, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:76       0 AMB  10-1:76     6.00    (#     76:10  Double Ambig)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1006,1007,1006,1007, 271, 272,
 igr2=1016, 284,
 &end
#
#  107 MET  HN          106 ALA  HN          3.50    (#     77:10  Unique         2.72, 2.81 A)
 &rst
  ixpk= 77, nxpk= 10, iat=1676,1666, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 ALA  HA          106 ALA  HN          3.50    (#     78:10  Unique         2.85, 2.86 A)
 &rst
  ixpk= 78, nxpk= 10, iat=1668,1666, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:79     106 ALA  HN          3.50    (#     79:10  Single Ambig)
 &rst
  ixpk= 79, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1646,1598,
 &end
#
#  103 VAL  HA          106 ALA  HN          6.00    (#     80:10  Unique         3.10, 3.29 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1615,1666, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:81     106 ALA  HN          2.80    (#     81:10  Single Ambig)
 &rst
  ixpk= 81, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1648,1649,1648,1649,
 &end
#
#  106 ALA  MB          106 ALA  HN          2.80    (#     82:10  Unique         2.43, 2.86 A)
 &rst
  ixpk= 82, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1670,1671,1672,
 &end
#
#   15 VAL  HN           14 VAL  HN          3.50    (#     84:10  Unique         2.79, 2.90 A)
 &rst
  ixpk= 84, nxpk= 10, iat= 226, 210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 VAL  HA           14 VAL  HN          2.80    (#     85:10  Unique         2.83, 2.84 A)
 &rst
  ixpk= 85, nxpk= 10, iat= 212, 210, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 VAL  HB           14 VAL  HN          3.50    (#     86:10  Unique         2.32, 2.96 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 214, 210, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LYS  HG-          14 VAL  HN          6.00    (#     87:10  Unique         2.74, 4.60 A)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 210, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 195, 196,
 &end
#
#   14 VAL  MGY          14 VAL  HN          4.50    (#     88:10  Unique         2.28, 3.62 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 210, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#   13 LYS  HN           14 VAL  HN          4.50    (#     89:10  Unique         2.77, 2.92 A)
 &rst
  ixpk= 89, nxpk= 10, iat= 188, 210, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:90      14 VAL  HN          3.50    (#     90:10  Single Ambig)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 210, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 192, 193, 192, 193,
 &end
#
#   14 VAL  MGX          14 VAL  HN          2.80    (#     91:10  Unique         2.28, 3.62 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 210, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  10-2:92     106 ALA  HN          6.00    (#     92:10  Single Ambig)
 &rst
  ixpk= 92, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 9.62, r4=10.37,
 igr1=1271,1272,1273,1619,1620,1621,1623,1624,1625, 312,
       313, 314, 316, 317, 318,1275,1276,
 &end
#
#   41 GLN  HB+          42 ILE  HN          6.00    (#     93:10  Unique         2.53, 3.29 A)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 638, 639,
 &end
#
#   42 ILE  QD1          42 ILE  HN          6.00    (#     94:10  Unique         3.64, 4.45 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 664, 665, 666,
 &end
#
#   42 ILE  HG1+         42 ILE  HN          4.50    (#     95:10  Unique         2.37, 3.18 A)
 &rst
  ixpk= 95, nxpk= 10, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 661, 662,
 &end
#
#   42 ILE  HA           42 ILE  HN          4.50    (#     96:10  Unique         2.82, 2.85 A)
 &rst
  ixpk= 96, nxpk= 10, iat= 653, 651, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ILE  HB           42 ILE  HN          2.80    (#     97:10  Unique         2.14, 2.23 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 655, 651, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 THR  HN            8 LYS  HN          4.50    (#     98:10  Unique         2.77, 2.85 A)
 &rst
  ixpk= 98, nxpk= 10, iat= 129, 107, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 LEU  HN            8 LYS  HN          6.00    (#     99:10  Unique         2.66, 2.81 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  88, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:100      8 LYS  HN          4.50    (#    100:10  Single Ambig)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 6.99, r4= 7.74,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,  38,
 &end
#
#    5 PRO  HA            8 LYS  HN          6.00    (#    101:10  Unique         3.18, 4.49 A)
 &rst
  ixpk= 101, nxpk= 10, iat=  74, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:102      8 LYS  HN          6.00    (#    102:10  Single Ambig)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  90,  80,
 &end
#
#    8 LYS  HB+           8 LYS  HN          2.80    (#    103:10  Unique         2.30, 2.94 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 111, 112,
 &end
#
#    0 AMB  10-2:104      8 LYS  HN          3.50    (#    104:10  Single Ambig)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 114, 115,  92,  93,
 &end
#
#    8 LYS  HA            8 LYS  HN          6.00    (#    105:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 105, nxpk= 10, iat= 109, 107, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    8 LYS  HN            7 LEU  HN          3.50    (#    106:10  Unique         2.66, 2.81 A)
 &rst
  ixpk= 106, nxpk= 10, iat= 107,  88, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:108      7 LEU  HN          2.80    (#    108:10  Single Ambig)
 &rst
  ixpk= 108, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  90,  80,
 &end
#
#    7 LEU  HB-           7 LEU  HN          3.50    (#    109:10  Unique         2.29, 2.49 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  92,  93,
 &end
#
#    0 AMB  10-2:110      7 LEU  HN          4.50    (#    110:10  Single Ambig)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.90, r4= 7.65,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,
 &end
#
#    7 LEU  HB+           7 LEU  HN          2.80    (#    111:10  Unique         2.29, 2.49 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  92,  93,
 &end
#
#    0 AMB  10-2:112     24 MET  HN          6.00    (#    112:10  Single Ambig)
 &rst
  ixpk= 112, nxpk= 10, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 512, 513, 512, 513,
 &end
#
#   23 PHE  HA           24 MET  HN          3.50    (#    113:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 113, nxpk= 10, iat= 359, 377, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 TRP  HA           71 TRP  HN          6.00    (#    114:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 114, nxpk= 10, iat=1124,1122, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   47 ASN  HA           48 ALA  HN          2.80    (#    115:10  Unique         2.26, 2.50 A)
 &rst
  ixpk= 115, nxpk= 10, iat= 743, 755, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:116     48 ALA  HN          6.00    (#    116:10  Single Ambig)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 726, 727, 696, 697, 693, 694,
 &end
#
#   47 ASN  HN           48 ALA  HN          2.80    (#    117:10  Unique         1.87, 2.23 A)
 &rst
  ixpk= 117, nxpk= 10, iat= 741, 755, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   48 ALA  MB           48 ALA  HN          2.80    (#    118:10  Unique         2.69, 3.33 A)
 &rst
  ixpk= 118, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 759, 760, 761,
 &end
#
#    0 AMB  10-2:119     48 ALA  HN          6.00    (#    119:10  Single Ambig)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737, 312, 313, 314, 316,
       317, 318,
 &end
#
#   27 THR  HA           27 THR  HN          6.00    (#    120:10  Unique         2.87, 2.97 A)
 &rst
  ixpk= 120, nxpk= 10, iat= 425, 423, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   24 MET  ME           27 THR  HN          6.00    (#    121:10  Unique         2.71, 4.85 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 388, 389, 390,
 &end
#
#    0 AMB  10-2:122     27 THR  HN          2.80    (#    122:10  Single Ambig)
 &rst
  ixpk= 122, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 418, 419, 501,
 &end
#
#   26 GLY  HA-          27 THR  HN          4.50    (#    123:10  Unique         2.20, 2.56 A)
 &rst
  ixpk= 123, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 418, 419,
 &end
#
#   27 THR  MG2          27 THR  HN          3.50    (#    124:10  Unique         2.47, 3.63 A)
 &rst
  ixpk= 124, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 429, 430, 431,
 &end
#
#   70 SER  HN           71 TRP  HN          4.50    (#    126:10  Unique         2.03, 2.84 A)
 &rst
  ixpk= 126, nxpk= 10, iat=1111,1122, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 SER  HA           71 TRP  HN          3.50    (#    127:10  Unique         3.25, 3.44 A)
 &rst
  ixpk= 127, nxpk= 10, iat=1113,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:128     71 TRP  HN          6.00    (#    128:10  Single Ambig)
 &rst
  ixpk= 128, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1118,1044,
 &end
#
#   70 SER  HB-          71 TRP  HN          6.00    (#    129:10  Unique         2.57, 3.85 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1115,1116,
 &end
#
#   71 TRP  HB+          71 TRP  HN          6.00    (#    130:10  Unique         2.12, 2.72 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1126,1127,
 &end
#
#   71 TRP  HB-          71 TRP  HN          6.00    (#    131:10  Unique         2.12, 2.72 A)
 &rst
  ixpk= 131, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1126,1127,
 &end
#
#   55 ILE  HG1-         55 ILE  HN          4.50    (#    133:10  Unique         2.10, 3.04 A)
 &rst
  ixpk= 133, nxpk= 10, iat=  -1, 855, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 865, 866,
 &end
#
#    0 AMB  10-2:134      0 AMB  10-1:134    6.00    (#    134:10  Double Ambig)
 &rst
  ixpk= 134, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 818, 819, 492, 493,
 igr2= 814, 505,
 &end
#
#    0 AMB  10-2:135     52 SER  HN          4.50    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 806, 807, 803, 804,
 &end
#
#    0 AMB  10-2:136      0 AMB  10-1:136    2.80    (#    136:10  Double Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 801, 507,
 igr2= 814, 505,
 &end
#
#    0 AMB  10-2:137      0 AMB  10-1:137    3.50    (#    137:10  Double Ambig)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 509, 510, 803, 804,
 igr2= 505, 814,
 &end
#
#   52 SER  HA           52 SER  HN          6.00    (#    138:10  Unique         2.88, 2.96 A)
 &rst
  ixpk= 138, nxpk= 10, iat= 816, 814, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   52 SER  HB+          52 SER  HN          4.50    (#    139:10  Unique         2.34, 3.21 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1, 814, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 818, 819,
 &end
#
#    0 AMB  10-2:140      0 AMB  10-1:140    6.00    (#    140:10  Double Ambig)
 &rst
  ixpk= 140, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 509, 510, 450, 451,
 igr2= 505, 814,
 &end
#
#    0 AMB  10-2:141     32 GLN  HN          6.00    (#    141:10  Single Ambig)
 &rst
  ixpk= 141, nxpk= 10, iat=  -1, 505, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 498, 499, 495, 496,
 &end
#
#   33 CYS  HN           32 GLN  HN          4.50    (#    142:10  Unique         2.55, 4.00 A)
 &rst
  ixpk= 142, nxpk= 10, iat= 522, 505, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:143      0 AMB  10-1:143    6.00    (#    143:10  Double Ambig)
 &rst
  ixpk= 143, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1= 806, 807, 441, 442, 388, 389, 390,
 igr2= 814, 505,
 &end
#
#    0 AMB  10-2:144     32 GLN  HN          4.50    (#    144:10  Single Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 505, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 512, 513, 512, 513,
 &end
#
#   46 LEU  MDY          46 LEU  HN          4.50    (#    145:10  Unique         3.90, 5.03 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#   55 ILE  HB           55 ILE  HN          6.00    (#    146:10  Unique         2.93, 3.66 A)
 &rst
  ixpk= 146, nxpk= 10, iat= 859, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   56 LEU  HN           55 ILE  HN          6.00    (#    147:10  Unique         2.56, 2.91 A)
 &rst
  ixpk= 147, nxpk= 10, iat= 874, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   54 ASN  HA           55 ILE  HN          3.50    (#    148:10  Unique         2.13, 2.20 A)
 &rst
  ixpk= 148, nxpk= 10, iat= 843, 855, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 ILE  HA           55 ILE  HN          6.00    (#    149:10  Unique         2.85, 2.92 A)
 &rst
  ixpk= 149, nxpk= 10, iat= 857, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   90 THR  HN           89 ILE  HN          6.00    (#    150:10  Unique         2.72, 2.77 A)
 &rst
  ixpk= 150, nxpk= 10, iat=1414,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   40 VAL  HA           40 VAL  HN          4.50    (#    151:10  Unique         2.84, 2.86 A)
 &rst
  ixpk= 151, nxpk= 10, iat= 620, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 VAL  HB           40 VAL  HN          4.50    (#    152:10  Unique         2.28, 3.07 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 622, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   40 VAL  MGX          40 VAL  HN          2.80    (#    153:10  Unique         2.22, 3.54 A)
 &rst
  ixpk= 153, nxpk= 10, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#   39 VAL  HN           40 VAL  HN          6.00    (#    154:10  Unique         2.84, 2.95 A)
 &rst
  ixpk= 154, nxpk= 10, iat= 602, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:155     99 LEU  HN          6.00    (#    155:10  Single Ambig)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1471,1461,
 &end
#
#  100 GLN  HN           99 LEU  HN          6.00    (#    156:10  Unique         2.61, 2.70 A)
 &rst
  ixpk= 156, nxpk= 10, iat=1564,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   47 ASN  HN           46 LEU  HN          2.80    (#    157:10  Unique         2.56, 2.62 A)
 &rst
  ixpk= 157, nxpk= 10, iat= 741, 722, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 LEU  HB+          46 LEU  HN          3.50    (#    158:10  Unique         2.13, 2.50 A)
 &rst
  ixpk= 158, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726, 727,
 &end
#
#   46 LEU  HA           46 LEU  HN          2.80    (#    159:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 159, nxpk= 10, iat= 724, 722, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 LEU  HG           46 LEU  HN          4.50    (#    160:10  Unique         2.57, 4.15 A)
 &rst
  ixpk= 160, nxpk= 10, iat= 729, 722, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   46 LEU  HB-          46 LEU  HN          3.50    (#    161:10  Unique         2.13, 2.50 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726, 727,
 &end
#
#   46 LEU  MDX          46 LEU  HN          4.50    (#    162:10  Unique         3.90, 5.03 A)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#   88 ASP  HA           88 ASP  HN          4.50    (#    163:10  Unique         2.80, 2.84 A)
 &rst
  ixpk= 163, nxpk= 10, iat=1385,1383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:165     88 ASP  HN          3.50    (#    165:10  Single Ambig)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1383, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1387,1388,1387,1388,
 &end
#
#   89 ILE  HA           89 ILE  HN          4.50    (#    166:10  Unique         2.85, 2.88 A)
 &rst
  ixpk= 166, nxpk= 10, iat=1397,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:167     89 ILE  HN          6.00    (#    167:10  Single Ambig)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1387,1388,1387,1388,
 &end
#
#   89 ILE  HG1-         89 ILE  HN          4.50    (#    168:10  Unique         2.06, 3.35 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1405,1406,
 &end
#
#   89 ILE  HB           89 ILE  HN          4.50    (#    169:10  Unique         2.42, 2.54 A)
 &rst
  ixpk= 169, nxpk= 10, iat=1399,1395, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   89 ILE  HG1+         89 ILE  HN          6.00    (#    170:10  Unique         2.06, 3.35 A)
 &rst
  ixpk= 170, nxpk= 10, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1405,1406,
 &end
#
#   89 ILE  QG2          89 ILE  HN          6.00    (#    171:10  Unique         2.04, 4.12 A)
 &rst
  ixpk= 171, nxpk= 10, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1401,1402,1403,
 &end
#
#    0 AMB  10-2:172     95 LYS  HN          4.50    (#    172:10  Single Ambig)
 &rst
  ixpk= 172, nxpk= 10, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1448,1449,1448,1449,
 &end
#
#   98 GLU  HN           99 LEU  HN          4.50    (#    173:10  Unique         2.47, 2.59 A)
 &rst
  ixpk= 173, nxpk= 10, iat=1530,1545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 LEU  HA           99 LEU  HN          4.50    (#    174:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 174, nxpk= 10, iat=1547,1545, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:175     99 LEU  HN          2.80    (#    175:10  Single Ambig)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1534,1535,1534,1535,
 &end
#
#    0 AMB  10-2:176     99 LEU  HN          2.80    (#    176:10  Single Ambig)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1549,1550,1463,1464,1465,
 &end
#
#   99 LEU  HB-          99 LEU  HN          3.50    (#    177:10  Unique         2.21, 2.51 A)
 &rst
  ixpk= 177, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1549,1550,
 &end
#
#   99 LEU  MDY          99 LEU  HN          6.00    (#    178:10  Unique         4.66, 5.21 A)
 &rst
  ixpk= 178, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  10-2:179     99 LEU  HN          6.00    (#    179:10  Single Ambig)
 &rst
  ixpk= 179, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   11 LEU  HN           10 THR  HN          3.50    (#    180:10  Unique         2.53, 2.73 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 157, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 THR  HN           10 THR  HN          3.50    (#    181:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 181, nxpk= 10, iat= 129, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:182    103 VAL  HN          6.00    (#    182:10  Single Ambig)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1598,1583,
 &end
#
#    0 AMB  10-2:183    103 VAL  HN          6.00    (#    183:10  Single Ambig)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1566,1547,
 &end
#
#  103 VAL  HA          103 VAL  HN          6.00    (#    184:10  Unique         2.87, 2.89 A)
 &rst
  ixpk= 184, nxpk= 10, iat=1615,1613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:185    103 VAL  HN          2.80    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1=1617,1600,1601,1600,1601,
 &end
#
#  103 VAL  MGY         103 VAL  HN          2.80    (#    186:10  Unique         2.43, 3.95 A)
 &rst
  ixpk= 186, nxpk= 10, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#   94 TYR  HN           95 LYS  HN          4.50    (#    187:10  Unique         2.64, 2.75 A)
 &rst
  ixpk= 187, nxpk= 10, iat=1469,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   44 LYS  HN           43 LEU  HN          6.00    (#    188:10  Unique         2.72, 2.78 A)
 &rst
  ixpk= 188, nxpk= 10, iat= 689, 670, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   94 TYR  HB+          95 LYS  HN          4.50    (#    189:10  Unique         2.57, 3.30 A)
 &rst
  ixpk= 189, nxpk= 10, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#    0 AMB  10-2:190      0 AMB  10-1:190    6.00    (#    190:10  Double Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1473,1474, 653,
 igr2=1490, 670,
 &end
#
#    0 AMB  10-2:191      0 AMB  10-1:191    4.50    (#    191:10  Double Ambig)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1434,1435,1436,1438,1439,1440,1420,1421,1422,
 igr2=1490, 670,
 &end
#
#    0 AMB  10-2:192      0 AMB  10-1:192    4.50    (#    192:10  Double Ambig)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.95, r4= 9.70,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,  95,  40,  41,  42,  44,  45,  46,  40,
        41,  42,  44,  45,  46, 312, 313, 314, 316, 317,
       318,
 igr2= 937, 670,
 &end
#
#    0 AMB  10-2:193      0 AMB  10-1:193    4.50    (#    193:10  Double Ambig)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.75, r4= 8.50,
 igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
      1624,1625,1232,
 igr2= 670,1490,
 &end
#
#   42 ILE  QG2          43 LEU  HN          6.00    (#    194:10  Unique         2.74, 3.78 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 657, 658, 659,
 &end
#
#   43 LEU  MDX          43 LEU  HN          6.00    (#    195:10  Unique         3.29, 4.36 A)
 &rst
  ixpk= 195, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   43 LEU  HA           43 LEU  HN          6.00    (#    196:10  Unique         2.86, 2.88 A)
 &rst
  ixpk= 196, nxpk= 10, iat= 672, 670, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   43 LEU  HG           43 LEU  HN          4.50    (#    197:10  Unique         2.15, 2.34 A)
 &rst
  ixpk= 197, nxpk= 10, iat= 677, 670, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 LEU  HB+          43 LEU  HN          4.50    (#    198:10  Unique         2.35, 2.98 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 674, 675,
 &end
#
#   43 LEU  MDY          43 LEU  HN          6.00    (#    199:10  Unique         3.29, 4.36 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1, 670, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#    9 THR  HA           10 THR  HN          6.00    (#    201:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 201, nxpk= 10, iat= 131, 143, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   10 THR  HB           10 THR  HN          2.80    (#    202:10  Unique         2.45, 2.53 A)
 &rst
  ixpk= 202, nxpk= 10, iat= 147, 143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    7 LEU  HA           10 THR  HN          4.50    (#    203:10  Unique         3.19, 3.45 A)
 &rst
  ixpk= 203, nxpk= 10, iat=  90, 143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 THR  HA           10 THR  HN          3.50    (#    204:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 204, nxpk= 10, iat= 145, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:205     10 THR  HN          6.00    (#    205:10  Single Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 164, 195, 196,  82,  83,  84,
 &end
#
#    9 THR  MG2          10 THR  HN          4.50    (#    206:10  Unique         3.52, 4.43 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 135, 136, 137,
 &end
#
#    0 AMB  10-2:207     10 THR  HN          4.50    (#    207:10  Single Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 149, 150, 151, 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  10-2:208     10 THR  HN          6.00    (#    208:10  Single Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,  95,
 &end
#
#   62 ARG  HN           61 LEU  HN          3.50    (#    209:10  Unique         2.45, 2.72 A)
 &rst
  ixpk= 209, nxpk= 10, iat= 975, 956, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:210     61 LEU  HN          6.00    (#    210:10  Single Ambig)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
 igr1= 979, 980, 979, 980, 926, 927, 926, 927,1003,1004,
      
 &end
#
#    0 AMB  10-2:211     61 LEU  HN          2.80    (#    211:10  Single Ambig)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 960, 961, 960, 961, 941, 942,
 &end
#
#   60 LEU  HN           61 LEU  HN          2.80    (#    212:10  Unique         2.46, 2.71 A)
 &rst
  ixpk= 212, nxpk= 10, iat= 937, 956, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 LEU  HA           61 LEU  HN          6.00    (#    213:10  Unique         3.44, 3.56 A)
 &rst
  ixpk= 213, nxpk= 10, iat= 939, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   60 LEU  HB+          61 LEU  HN          4.50    (#    214:10  Unique         2.41, 3.35 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 941, 942,
 &end
#
#    0 AMB  10-2:215     61 LEU  HN          4.50    (#    215:10  Single Ambig)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 946, 947, 948, 950, 951, 952, 946, 947, 948, 950,
       951, 952,
 &end
#
#  104 GLU  HN          103 VAL  HN          4.50    (#    216:10  Unique         2.69, 2.75 A)
 &rst
  ixpk= 216, nxpk= 10, iat=1629,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          103 VAL  HN          4.50    (#    217:10  Unique         2.72, 2.79 A)
 &rst
  ixpk= 217, nxpk= 10, iat=1596,1613, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ALA  HA           95 LYS  HN          6.00    (#    219:10  Unique         4.12, 4.51 A)
 &rst
  ixpk= 219, nxpk= 10, iat=1461,1490, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   95 LYS  HA           95 LYS  HN          4.50    (#    220:10  Unique         2.87, 2.90 A)
 &rst
  ixpk= 220, nxpk= 10, iat=1492,1490, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 LYS  HB-          95 LYS  HN          3.50    (#    221:10  Unique         2.32, 2.95 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1494,1495,
 &end
#
#   61 LEU  HN           60 LEU  HN          2.80    (#    222:10  Unique         2.46, 2.71 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 956, 937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 LEU  HA           60 LEU  HN          2.80    (#    223:10  Unique         2.65, 2.85 A)
 &rst
  ixpk= 223, nxpk= 10, iat= 939, 937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   59 GLU  HG+          60 LEU  HN          6.00    (#    224:10  Unique         2.37, 4.60 A)
 &rst
  ixpk= 224, nxpk= 10, iat=  -1, 937, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 929, 930,
 &end
#
#    0 AMB  10-2:225     60 LEU  HN          2.80    (#    225:10  Single Ambig)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 937, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 926, 927, 926, 927,
 &end
#
#    0 AMB  10-2:226      0 AMB  10-1:226    2.80    (#    226:10  Double Ambig)
 &rst
  ixpk= 226, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 941, 942,1497,1498,
 igr2= 937,1490,
 &end
#
#    0 AMB  10-2:227      0 AMB  10-1:227    2.80    (#    227:10  Double Ambig)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 941, 942, 655,
 igr2= 937, 670,
 &end
#
#   61 LEU  HA           61 LEU  HN          4.50    (#    228:10  Unique         2.77, 2.89 A)
 &rst
  ixpk= 228, nxpk= 10, iat= 958, 956, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LEU  MDY          61 LEU  HN          4.50    (#    229:10  Unique         2.28, 4.64 A)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  10-2:230    104 GLU  HN          6.00    (#    230:10  Single Ambig)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1588,1589,1288,1289,
 &end
#
#   61 LEU  HN           62 ARG  HN          4.50    (#    231:10  Unique         2.45, 2.72 A)
 &rst
  ixpk= 231, nxpk= 10, iat= 956, 975, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 THR  HB           90 THR  HN          2.80    (#    232:10  Unique         2.54, 2.59 A)
 &rst
  ixpk= 232, nxpk= 10, iat=1418,1414, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   89 ILE  HB           90 THR  HN          4.50    (#    233:10  Unique         2.52, 3.13 A)
 &rst
  ixpk= 233, nxpk= 10, iat=1399,1414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 LEU  HB-         100 GLN  HN          6.00    (#    234:10  Unique         2.50, 3.23 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1549,1550,
 &end
#
#    0 AMB  10-2:235    100 GLN  HN          6.00    (#    235:10  Single Ambig)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
      1624,1625,
 &end
#
#  101 GLU  HN          100 GLN  HN          6.00    (#    236:10  Unique         2.81, 2.88 A)
 &rst
  ixpk= 236, nxpk= 10, iat=1581,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:237    100 GLN  HN          4.50    (#    237:10  Single Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1566,1547,
 &end
#
#  100 GLN  HB+         100 GLN  HN          3.50    (#    238:10  Unique         2.40, 2.74 A)
 &rst
  ixpk= 238, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1568,1569,
 &end
#
#   99 LEU  HB+         100 GLN  HN          4.50    (#    239:10  Unique         2.50, 3.23 A)
 &rst
  ixpk= 239, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1549,1550,
 &end
#
#   20 VAL  HB           20 VAL  HN          6.00    (#    240:10  Unique         2.42, 2.86 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 310, 306, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   20 VAL  MGY          20 VAL  HN          4.50    (#    241:10  Unique         2.09, 4.06 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 312, 313, 314, 316, 317, 318,
 &end
#
#  103 VAL  HA          104 GLU  HN          6.00    (#    242:10  Unique         3.61, 3.63 A)
 &rst
  ixpk= 242, nxpk= 10, iat=1615,1629, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  103 VAL  HN          104 GLU  HN          3.50    (#    243:10  Unique         2.69, 2.75 A)
 &rst
  ixpk= 243, nxpk= 10, iat=1613,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 LYS  HN          104 GLU  HN          3.50    (#    244:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 244, nxpk= 10, iat=1644,1629, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:245    104 GLU  HN          4.50    (#    245:10  Single Ambig)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1636,1637,1636,1637,
 &end
#
#  103 VAL  MGX         104 GLU  HN          4.50    (#    246:10  Unique         3.43, 4.66 A)
 &rst
  ixpk= 246, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  104 GLU  HA          104 GLU  HN          2.80    (#    247:10  Unique         2.84, 2.85 A)
 &rst
  ixpk= 247, nxpk= 10, iat=1631,1629, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:248    104 GLU  HN          2.80    (#    248:10  Single Ambig)
 &rst
  ixpk= 248, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1633,1634,1617,
 &end
#
#    0 AMB  10-2:249    104 GLU  HN          6.00    (#    249:10  Single Ambig)
 &rst
  ixpk= 249, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1648,1649,1648,1649,
 &end
#
#    0 AMB  10-2:250     62 ARG  HN          6.00    (#    250:10  Single Ambig)
 &rst
  ixpk= 250, nxpk= 10, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863,
 &end
#
#   62 ARG  HA           62 ARG  HN          6.00    (#    251:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 251, nxpk= 10, iat= 977, 975, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:252     62 ARG  HN          2.80    (#    252:10  Single Ambig)
 &rst
  ixpk= 252, nxpk= 10, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 979, 980, 979, 980,
 &end
#
#    0 AMB  10-2:253     62 ARG  HN          3.50    (#    253:10  Single Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 960, 961, 960, 961,
 &end
#
#   81 GLY  HA+          82 GLU  HN          3.50    (#    254:10  Unique         3.23, 3.37 A)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   91 VAL  HN           90 THR  HN          6.00    (#    255:10  Unique         2.76, 2.79 A)
 &rst
  ixpk= 255, nxpk= 10, iat=1428,1414, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  HN           90 THR  HN          6.00    (#    256:10  Unique         2.72, 2.77 A)
 &rst
  ixpk= 256, nxpk= 10, iat=1395,1414, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  QG2          90 THR  HN          6.00    (#    257:10  Unique         2.53, 3.99 A)
 &rst
  ixpk= 257, nxpk= 10, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1401,1402,1403,
 &end
#
#   90 THR  HA           90 THR  HN          3.50    (#    258:10  Unique         2.86, 2.87 A)
 &rst
  ixpk= 258, nxpk= 10, iat=1416,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:259     90 THR  HN          4.50    (#    259:10  Single Ambig)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1434,1435,1436,1438,1439,1440, 594, 595, 596,
 &end
#
#   14 VAL  HN           13 LYS  HN          4.50    (#    260:10  Unique         2.77, 2.92 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 210, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LYS  HA           13 LYS  HN          3.50    (#    261:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 261, nxpk= 10, iat= 190, 188, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HB-          13 LYS  HN          4.50    (#    262:10  Unique         2.48, 3.22 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 180, 181,
 &end
#
#   12 ASP  HB+          13 LYS  HN          6.00    (#    263:10  Unique         2.48, 3.22 A)
 &rst
  ixpk= 263, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 180, 181,
 &end
#
#   13 LYS  HG+          13 LYS  HN          6.00    (#    264:10  Unique         2.21, 3.67 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 195, 196,
 &end
#
#   13 LYS  HG-          13 LYS  HN          6.00    (#    265:10  Unique         2.21, 3.67 A)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 195, 196,
 &end
#
#   12 ASP  HN           13 LYS  HN          4.50    (#    266:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 266, nxpk= 10, iat= 176, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:267     13 LYS  HN          2.80    (#    267:10  Single Ambig)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 192, 193, 192, 193,
 &end
#
#    0 AMB  10-2:268     13 LYS  HN          6.00    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 198, 199, 198, 199,
 &end
#
#    0 AMB  10-2:269     33 CYS  HN          4.50    (#    269:10  Single Ambig)
 &rst
  ixpk= 269, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 505, 571,
 &end
#
#   32 GLN  HA           33 CYS  HN          3.50    (#    270:10  Unique         2.13, 2.53 A)
 &rst
  ixpk= 270, nxpk= 10, iat= 507, 522, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:271     33 CYS  HN          6.00    (#    271:10  Single Ambig)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 498, 499, 495, 496,
 &end
#
#   33 CYS  HB+          33 CYS  HN          6.00    (#    272:10  Unique         2.32, 3.14 A)
 &rst
  ixpk= 272, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 526, 527,
 &end
#
#    0 AMB  10-2:273     33 CYS  HN          6.00    (#    273:10  Single Ambig)
 &rst
  ixpk= 273, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 512, 513, 512, 513,
 &end
#
#   20 VAL  MGX          20 VAL  HN          4.50    (#    274:10  Unique         2.09, 4.06 A)
 &rst
  ixpk= 274, nxpk= 10, iat=  -1, 306, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  10-2:275     92 GLU  HN          6.00    (#    275:10  Single Ambig)
 &rst
  ixpk= 275, nxpk= 10, iat=  -1,1444, r1= 0.00, r2= 1.80, r3= 8.30, r4= 9.05,
 igr1=1500,1501,1500,1501,1463,1464,1465,
 &end
#
#   92 GLU  HG+          92 GLU  HN          3.50    (#    276:10  Unique         2.37, 3.05 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1444, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1451,1452,
 &end
#
#   91 VAL  HB           92 GLU  HN          3.50    (#    277:10  Unique         2.65, 2.79 A)
 &rst
  ixpk= 277, nxpk= 10, iat=1432,1444, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:278     92 GLU  HN          2.80    (#    278:10  Single Ambig)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1444, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1448,1449,1448,1449,
 &end
#
#   91 VAL  MGX          92 GLU  HN          3.50    (#    279:10  Unique         3.29, 4.62 A)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1,1444, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  10-2:280    105 LYS  HN          2.80    (#    280:10  Single Ambig)
 &rst
  ixpk= 280, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1646,1598,
 &end
#
#  104 GLU  HN          105 LYS  HN          3.50    (#    281:10  Unique         2.76, 2.81 A)
 &rst
  ixpk= 281, nxpk= 10, iat=1629,1644, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:282    105 LYS  HN          2.80    (#    282:10  Single Ambig)
 &rst
  ixpk= 282, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1648,1649,1648,1649,
 &end
#
#  105 LYS  HG+         105 LYS  HN          4.50    (#    283:10  Unique         2.38, 3.98 A)
 &rst
  ixpk= 283, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1651,1652,
 &end
#
#  104 GLU  HB-         105 LYS  HN          2.80    (#    284:10  Unique         2.51, 3.21 A)
 &rst
  ixpk= 284, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1633,1634,
 &end
#
#   82 GLU  HB+          82 GLU  HN          2.80    (#    285:10  Unique         2.54, 3.15 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1307,1308,
 &end
#
#   82 GLU  HB-          82 GLU  HN          2.80    (#    286:10  Unique         2.54, 3.15 A)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1307,1308,
 &end
#
#   82 GLU  HG-          82 GLU  HN          4.50    (#    287:10  Unique         2.40, 4.10 A)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1310,1311,
 &end
#
#   81 GLY  HN           82 GLU  HN          4.50    (#    288:10  Unique         1.66, 2.20 A)
 &rst
  ixpk= 288, nxpk= 10, iat=1296,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 GLU  HA           82 GLU  HN          3.50    (#    289:10  Unique         2.93, 2.98 A)
 &rst
  ixpk= 289, nxpk= 10, iat=1305,1303, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 GLY  HA-          82 GLU  HN          6.00    (#    290:10  Unique         3.23, 3.37 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1298,1299,
 &end
#
#   82 GLU  HG+          82 GLU  HN          4.50    (#    291:10  Unique         2.40, 4.10 A)
 &rst
  ixpk= 291, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1310,1311,
 &end
#
#   79 ILE  HN           82 GLU  HN          4.50    (#    292:10  Unique         2.98, 3.13 A)
 &rst
  ixpk= 292, nxpk= 10, iat=1265,1303, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 THR  HA           13 LYS  HN          4.50    (#    293:10  Unique         3.27, 3.59 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 145, 188, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:294     13 LYS  HN          6.00    (#    294:10  Single Ambig)
 &rst
  ixpk= 294, nxpk= 10, iat=  -1, 188, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 216, 217, 218, 220, 221, 222, 232, 233, 234, 236,
       237, 238, 149, 150, 151,
 &end
#
#   17 SER  HN           16 THR  HN          4.50    (#    295:10  Unique         2.29, 2.55 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 256, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 VAL  MGX          16 THR  HN          4.50    (#    296:10  Unique         2.63, 4.42 A)
 &rst
  ixpk= 296, nxpk= 10, iat=  -1, 242, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   15 VAL  HN           16 THR  HN          4.50    (#    297:10  Unique         2.74, 2.81 A)
 &rst
  ixpk= 297, nxpk= 10, iat= 226, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 THR  HA           16 THR  HN          4.50    (#    299:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 244, 242, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 THR  MG2          16 THR  HN          4.50    (#    300:10  Unique         2.49, 3.46 A)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 242, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 248, 249, 250,
 &end
#
#   91 VAL  HN           92 GLU  HN          6.00    (#    301:10  Unique         2.82, 2.88 A)
 &rst
  ixpk= 301, nxpk= 10, iat=1428,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   93 ALA  HN           92 GLU  HN          4.50    (#    302:10  Unique         2.65, 2.72 A)
 &rst
  ixpk= 302, nxpk= 10, iat=1459,1444, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  105 LYS  HG-         105 LYS  HN          6.00    (#    303:10  Unique         2.38, 3.98 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1651,1652,
 &end
#
#   85 GLY  HN           84 PHE  HN          4.50    (#    304:10  Unique         1.94, 2.14 A)
 &rst
  ixpk= 304, nxpk= 10, iat=1358,1338, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 PHE  HA           84 PHE  HN          3.50    (#    305:10  Unique         2.11, 2.20 A)
 &rst
  ixpk= 305, nxpk= 10, iat=1320,1338, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 PHE  HB+          84 PHE  HN          4.50    (#    306:10  Unique         2.46, 2.68 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1342,1343,
 &end
#
#   13 LYS  HN           12 ASP  HN          3.50    (#    307:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 307, nxpk= 10, iat= 188, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 LEU  HN           12 ASP  HN          3.50    (#    309:10  Unique         2.83, 2.89 A)
 &rst
  ixpk= 309, nxpk= 10, iat= 157, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HA           12 ASP  HN          3.50    (#    310:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 310, nxpk= 10, iat= 178, 176, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:311      0 AMB  10-1:311    4.50    (#    311:10  Double Ambig)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 131, 715, 716,
 igr2= 176, 689,
 &end
#
#    0 AMB  10-2:312     12 ASP  HN          6.00    (#    312:10  Single Ambig)
 &rst
  ixpk= 312, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 109, 159,
 &end
#
#   12 ASP  HB-          12 ASP  HN          3.50    (#    313:10  Unique         2.44, 2.49 A)
 &rst
  ixpk= 313, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 180, 181,
 &end
#
#   12 ASP  HB+          12 ASP  HN          3.50    (#    314:10  Unique         2.44, 2.49 A)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 180, 181,
 &end
#
#   11 LEU  HB+          12 ASP  HN          3.50    (#    315:10  Unique         2.45, 3.05 A)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 161, 162,
 &end
#
#    0 AMB  10-2:316      0 AMB  10-1:316    8.00    (#    316:10  Double Ambig)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
 igr1= 166, 167, 168, 170, 171, 172,1554,1555,1556,1558,
      1559,1560,1032,1033,1034,1036,1037,1038,
 igr2= 176, 689,
 &end
#
#   11 LEU  HB-          12 ASP  HN          4.50    (#    317:10  Unique         2.45, 3.05 A)
 &rst
  ixpk= 317, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 161, 162,
 &end
#
#   43 LEU  HB+          44 LYS  HN          3.50    (#    318:10  Unique         2.28, 2.90 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 674, 675,
 &end
#
#   11 LEU  MDY          12 ASP  HN          6.00    (#    319:10  Unique         4.77, 5.66 A)
 &rst
  ixpk= 319, nxpk= 10, iat=  -1, 176, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#   44 LYS  HA           44 LYS  HN          3.50    (#    320:10  Unique         2.79, 2.80 A)
 &rst
  ixpk= 320, nxpk= 10, iat= 691, 689, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 GLN  HA           44 LYS  HN          6.00    (#    321:10  Unique         3.41, 3.74 A)
 &rst
  ixpk= 321, nxpk= 10, iat= 636, 689, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:322     44 LYS  HN          2.80    (#    322:10  Single Ambig)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 693, 694, 693, 694, 696, 697,
 &end
#
#   44 LYS  HG-          44 LYS  HN          4.50    (#    323:10  Unique         2.40, 4.03 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 696, 697,
 &end
#
#    0 AMB  10-2:324     44 LYS  HN          2.80    (#    324:10  Single Ambig)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 670, 711,
 &end
#
#  102 GLN  HG+         102 GLN  HN          4.50    (#    325:10  Unique         2.37, 3.45 A)
 &rst
  ixpk= 325, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1603,1604,
 &end
#
#   30 PHE  HB-          30 PHE  HN          4.50    (#    326:10  Unique         2.54, 3.05 A)
 &rst
  ixpk= 326, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 475, 476,
 &end
#
#   30 PHE  HB+          30 PHE  HN          6.00    (#    327:10  Unique         2.54, 3.05 A)
 &rst
  ixpk= 327, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 475, 476,
 &end
#
#   29 ASP  HB-          30 PHE  HN          4.50    (#    328:10  Unique         2.73, 3.55 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 463, 464,
 &end
#
#   27 THR  MG2          30 PHE  HN          6.00    (#    329:10  Unique         2.12, 4.62 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 429, 430, 431,
 &end
#
#   83 PHE  HD           84 PHE  HN          6.00    (#    330:10  Unique         3.37, 4.78 A)
 &rst
  ixpk= 330, nxpk= 10, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1326,1334,
 &end
#
#   79 ILE  HA           84 PHE  HN          8.00    (#    331:10  Unique         6.28, 6.69 A)
 &rst
  ixpk= 331, nxpk= 10, iat=1267,1338, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#  103 VAL  HN          102 GLN  HN          4.50    (#    332:10  Unique         2.72, 2.79 A)
 &rst
  ixpk= 332, nxpk= 10, iat=1613,1596, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLU  HN          102 GLN  HN          3.50    (#    333:10  Unique         2.86, 2.95 A)
 &rst
  ixpk= 333, nxpk= 10, iat=1581,1596, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HG-         102 GLN  HN          4.50    (#    334:10  Unique         2.37, 3.45 A)
 &rst
  ixpk= 334, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1603,1604,
 &end
#
#    0 AMB  10-2:335    102 GLN  HN          2.80    (#    335:10  Single Ambig)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1600,1601,1600,1601,
 &end
#
#    0 AMB  10-2:336     30 PHE  HN          6.00    (#    336:10  Single Ambig)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 423, 479, 487,
 &end
#
#    0 AMB  10-2:337     30 PHE  HN          6.00    (#    337:10  Single Ambig)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 427, 501,
 &end
#
#   29 ASP  HA           30 PHE  HN          6.00    (#    338:10  Unique         3.33, 3.52 A)
 &rst
  ixpk= 338, nxpk= 10, iat= 461, 471, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   31 PRO  HD-          30 PHE  HN          4.50    (#    339:10  Unique         2.81, 3.80 A)
 &rst
  ixpk= 339, nxpk= 10, iat=  -1, 471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 492, 493,
 &end
#
#   30 PHE  HA           30 PHE  HN          3.50    (#    340:10  Unique         2.87, 2.97 A)
 &rst
  ixpk= 340, nxpk= 10, iat= 473, 471, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   29 ASP  HN           30 PHE  HN          2.80    (#    341:10  Unique         2.26, 2.45 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 459, 471, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 ASP  HA           80 ASP  HN          3.50    (#    343:10  Unique         2.21, 2.31 A)
 &rst
  ixpk= 343, nxpk= 10, iat=1286,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   82 GLU  HN           79 ILE  HN          6.00    (#    344:10  Unique         2.98, 3.13 A)
 &rst
  ixpk= 344, nxpk= 10, iat=1303,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   78 TYR  HA           79 ILE  HN          2.80    (#    345:10  Unique         2.22, 2.28 A)
 &rst
  ixpk= 345, nxpk= 10, iat=1246,1265, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:346     79 ILE  HN          4.50    (#    346:10  Single Ambig)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1,1265, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1275,1276,1271,1272,1273,
 &end
#
#    0 AMB  10-2:347     79 ILE  HN          6.00    (#    347:10  Single Ambig)
 &rst
  ixpk= 347, nxpk= 10, iat=  -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1338,1318,
 &end
#
#   78 TYR  HB-          79 ILE  HN          6.00    (#    348:10  Unique         3.23, 4.14 A)
 &rst
  ixpk= 348, nxpk= 10, iat=  -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1248,1249,
 &end
#
#   79 ILE  HB           79 ILE  HN          4.50    (#    349:10  Unique         2.96, 3.22 A)
 &rst
  ixpk= 349, nxpk= 10, iat=1269,1265, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:351     39 VAL  HN          4.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 588, 618,
 &end
#
#   39 VAL  MGX          39 VAL  HN          6.00    (#    352:10  Unique         2.27, 3.86 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#   39 VAL  MGY          39 VAL  HN          3.50    (#    353:10  Unique         2.27, 3.86 A)
 &rst
  ixpk= 353, nxpk= 10, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#   39 VAL  HB           39 VAL  HN          4.50    (#    354:10  Unique         2.31, 2.55 A)
 &rst
  ixpk= 354, nxpk= 10, iat= 606, 602, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   79 ILE  QG2          80 ASP  HN          4.50    (#    356:10  Unique         2.29, 3.61 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1271,1272,1273,
 &end
#
#   79 ILE  HA           80 ASP  HN          3.50    (#    357:10  Unique         2.05, 2.15 A)
 &rst
  ixpk= 357, nxpk= 10, iat=1267,1284, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 PHE  HD           76 GLN  HN          6.00    (#    358:10  Unique         2.94, 5.41 A)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1208, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1182,1190,
 &end
#
#   75 PRO  HA           76 GLN  HN          6.00    (#    359:10  Unique         2.21, 2.36 A)
 &rst
  ixpk= 359, nxpk= 10, iat=1204,1208, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   17 SER  HA           18 HIS  HN          6.00    (#    360:10  Unique         3.53, 3.59 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 258, 267, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:361     18 HIS  HN          6.00    (#    361:10  Single Ambig)
 &rst
  ixpk= 361, nxpk= 10, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 260, 261, 212,
 &end
#
#   24 MET  HA           25 LYS  HN          6.00    (#    367:10  Unique         2.28, 2.55 A)
 &rst
  ixpk= 367, nxpk= 10, iat= 379, 394, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:369      0 AMB  10-1:369    4.50    (#    369:10  Double Ambig)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 388, 389, 390, 699, 700, 699, 700, 726, 727,
 igr2= 394, 711,
 &end
#
#   45 SER  HA           45 SER  HN          2.80    (#    370:10  Unique         2.83, 2.85 A)
 &rst
  ixpk= 370, nxpk= 10, iat= 713, 711, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:371     45 SER  HN          3.50    (#    371:10  Single Ambig)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 693, 694, 693, 694,
 &end
#
#   46 LEU  HN           45 SER  HN          3.50    (#    372:10  Unique         2.79, 2.83 A)
 &rst
  ixpk= 372, nxpk= 10, iat= 722, 711, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 SER  HB-          45 SER  HN          2.80    (#    373:10  Unique         2.38, 3.07 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 715, 716,
 &end
#
#   41 GLN  HA           45 SER  HN          6.00    (#    374:10  Unique         3.54, 3.75 A)
 &rst
  ixpk= 374, nxpk= 10, iat= 636, 711, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   17 SER  HN           18 HIS  HN          3.50    (#    375:10  Unique         2.59, 2.72 A)
 &rst
  ixpk= 375, nxpk= 10, iat= 256, 267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 HIS  HB+          18 HIS  HN          6.00    (#    376:10  Unique         2.42, 3.16 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 271, 272,
 &end
#
#   18 HIS  HB-          18 HIS  HN          6.00    (#    377:10  Unique         2.42, 3.16 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 271, 272,
 &end
#
#    0 AMB  10-2:378     18 HIS  HN          4.50    (#    378:10  Single Ambig)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 269, 244,
 &end
#
#   21 VAL  MGY          18 HIS  HN          6.00    (#    379:10  Unique         4.38, 6.32 A)
 &rst
  ixpk= 379, nxpk= 10, iat=  -1, 267, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   85 GLY  HA-          86 GLY  HN          6.00    (#    380:10  Unique         2.09, 2.57 A)
 &rst
  ixpk= 380, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1360,1361,
 &end
#
#   89 ILE  QD1          86 GLY  HN          6.00    (#    381:10  Unique         1.85, 4.00 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1408,1409,1410,
 &end
#
#   85 GLY  HA+          86 GLY  HN          6.00    (#    382:10  Unique         2.09, 2.57 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1360,1361,
 &end
#
#   44 LYS  HN           45 SER  HN          4.50    (#    385:10  Unique         2.88, 2.97 A)
 &rst
  ixpk= 385, nxpk= 10, iat= 689, 711, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 LYS  HB+          66 LYS  HN          4.50    (#    386:10  Unique         2.34, 2.86 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#   66 LYS  HA           66 LYS  HN          6.00    (#    387:10  Unique         2.27, 2.84 A)
 &rst
  ixpk= 387, nxpk= 10, iat=1044,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   65 LEU  HB+          66 LYS  HN          3.50    (#    388:10  Unique         1.99, 3.37 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1027,1028,
 &end
#
#    0 AMB  10-2:389     66 LYS  HN          6.00    (#    389:10  Single Ambig)
 &rst
  ixpk= 389, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1068,1069,1068,1069,1003,1004,
 &end
#
#   77 LEU  HA           78 TYR  HN          3.50    (#    390:10  Unique         2.11, 2.16 A)
 &rst
  ixpk= 390, nxpk= 10, iat=1227,1244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 GLN  HG-          41 GLN  HN          4.50    (#    392:10  Unique         2.48, 4.09 A)
 &rst
  ixpk= 392, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#  107 MET  HB+         108 CYS  HN          4.50    (#    394:10  Unique         2.45, 3.13 A)
 &rst
  ixpk= 394, nxpk= 10, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1680,1681,
 &end
#
#  107 MET  HN          108 CYS  HN          4.50    (#    395:10  Unique         2.54, 2.68 A)
 &rst
  ixpk= 395, nxpk= 10, iat=1676,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 CYS  HA          108 CYS  HN          4.50    (#    397:10  Unique         2.84, 2.90 A)
 &rst
  ixpk= 397, nxpk= 10, iat=1695,1693, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:398    108 CYS  HN          4.50    (#    398:10  Single Ambig)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1,1693, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1697,1698,1697,1698,
 &end
#
#    0 AMB  10-2:399      4 THR  HN          3.50    (#    399:10  Single Ambig)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 946, 947, 948, 950, 951, 952, 946, 947,
       948, 950, 951, 952,
 &end
#
#    3 LEU  HA            4 THR  HN          3.50    (#    400:10  Unique         2.18, 2.94 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  33,  50, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:401      4 THR  HN          4.50    (#    401:10  Single Ambig)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  35,  36,  92,  93,
 &end
#
#    0 AMB  10-2:402      4 THR  HN          6.00    (#    402:10  Single Ambig)
 &rst
  ixpk= 402, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=  92,  93, 114, 115,
 &end
#
#    3 LEU  HB-           4 THR  HN          6.00    (#    403:10  Unique         1.90, 3.52 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  35,  36,
 &end
#
#    4 THR  MG2           4 THR  HN          3.50    (#    404:10  Unique         2.04, 3.46 A)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  56,  57,  58,
 &end
#
#    0 AMB  10-2:406      4 THR  HN          3.50    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1,  50, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  52,  54,
 &end
#
#   16 THR  HN           17 SER  HN          3.50    (#    407:10  Unique         2.29, 2.55 A)
 &rst
  ixpk= 407, nxpk= 10, iat= 242, 256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 HIS  HN           17 SER  HN          3.50    (#    408:10  Unique         2.59, 2.72 A)
 &rst
  ixpk= 408, nxpk= 10, iat= 267, 256, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 THR  HA           17 SER  HN          4.50    (#    409:10  Unique         3.52, 3.57 A)
 &rst
  ixpk= 409, nxpk= 10, iat= 244, 256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 SER  HA           17 SER  HN          4.50    (#    410:10  Unique         2.86, 2.90 A)
 &rst
  ixpk= 410, nxpk= 10, iat= 258, 256, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 VAL  HA           17 SER  HN          6.00    (#    411:10  Unique         4.34, 4.63 A)
 &rst
  ixpk= 411, nxpk= 10, iat= 228, 256, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:412     17 SER  HN          2.80    (#    412:10  Single Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1, 256, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 260, 261, 212,
 &end
#
#  100 GLN  HN          101 GLU  HN          4.50    (#    413:10  Unique         2.81, 2.88 A)
 &rst
  ixpk= 413, nxpk= 10, iat=1564,1581, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          101 GLU  HN          3.50    (#    414:10  Unique         2.86, 2.95 A)
 &rst
  ixpk= 414, nxpk= 10, iat=1596,1581, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLU  HA          101 GLU  HN          2.80    (#    415:10  Unique         2.80, 2.82 A)
 &rst
  ixpk= 415, nxpk= 10, iat=1583,1581, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 GLN  HG+         101 GLU  HN          6.00    (#    416:10  Unique         2.57, 4.30 A)
 &rst
  ixpk= 416, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1571,1572,
 &end
#
#  101 GLU  HG+         101 GLU  HN          4.50    (#    417:10  Unique         2.64, 4.39 A)
 &rst
  ixpk= 417, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1588,1589,
 &end
#
#    0 AMB  10-2:418    101 GLU  HN          2.80    (#    418:10  Single Ambig)
 &rst
  ixpk= 418, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1585,1586,1585,1586,1568,1569,
 &end
#
#    0 AMB  10-2:419    101 GLU  HN          4.50    (#    419:10  Single Ambig)
 &rst
  ixpk= 419, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1566,1547,
 &end
#
#   67 GLU  HN           66 LYS  HN          4.50    (#    420:10  Unique         2.62, 2.82 A)
 &rst
  ixpk= 420, nxpk= 10, iat=1064,1042, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:421     78 TYR  HN          3.50    (#    421:10  Single Ambig)
 &rst
  ixpk= 421, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1232,1275,1276,
 &end
#
#   78 TYR  HB+          78 TYR  HN          6.00    (#    422:10  Unique         2.37, 2.85 A)
 &rst
  ixpk= 422, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1248,1249,
 &end
#
#   77 LEU  MDY          78 TYR  HN          6.00    (#    423:10  Unique         1.95, 4.35 A)
 &rst
  ixpk= 423, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1234,1235,1236,1238,1239,1240,
 &end
#
#   42 ILE  HB           41 GLN  HN          6.00    (#    424:10  Unique         4.47, 4.61 A)
 &rst
  ixpk= 424, nxpk= 10, iat= 655, 634, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:425      0 AMB  10-1:425    3.50    (#    425:10  Double Ambig)
 &rst
  ixpk= 425, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 818, 819, 636,
 igr2= 437, 634,
 &end
#
#    0 AMB  10-2:426     41 GLN  HN          2.80    (#    426:10  Single Ambig)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 638, 639, 622,
 &end
#
#   41 GLN  HB-          41 GLN  HN          3.50    (#    427:10  Unique         2.32, 2.63 A)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#   40 VAL  MGY          41 GLN  HN          3.50    (#    428:10  Unique         2.53, 4.31 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1, 634, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#   42 ILE  HN           41 GLN  HN          6.00    (#    429:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 429, nxpk= 10, iat= 651, 634, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   68 TYR  HN           67 GLU  HN          4.50    (#    430:10  Unique         2.42, 2.65 A)
 &rst
  ixpk= 430, nxpk= 10, iat=1079,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 GLU  HG+          67 GLU  HN          4.50    (#    431:10  Unique         2.17, 3.53 A)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1071,1072,
 &end
#
#    0 AMB  10-2:432     67 GLU  HN          2.80    (#    432:10  Single Ambig)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1068,1069,1068,1069,
 &end
#
#   66 LYS  HB-          67 GLU  HN          4.50    (#    433:10  Unique         2.36, 3.32 A)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#    0 AMB  10-2:434     67 GLU  HN          8.00    (#    434:10  Single Ambig)
 &rst
  ixpk= 434, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3=12.27, r4=13.02,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  38,
 &end
#
#   66 LYS  HN           67 GLU  HN          3.50    (#    435:10  Unique         2.62, 2.82 A)
 &rst
  ixpk= 435, nxpk= 10, iat=1042,1064, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   67 GLU  HA           67 GLU  HN          4.50    (#    436:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 436, nxpk= 10, iat=1066,1064, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:437     67 GLU  HN          6.00    (#    437:10  Single Ambig)
 &rst
  ixpk= 437, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1025,1081,
 &end
#
#   66 LYS  HB+          67 GLU  HN          6.00    (#    438:10  Unique         2.36, 3.32 A)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1046,1047,
 &end
#
#    0 AMB  10-2:439     28 LYS  HN          3.50    (#    439:10  Single Ambig)
 &rst
  ixpk= 439, nxpk= 10, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 444, 445, 429, 430, 431,
 &end
#
#   28 LYS  HB+          28 LYS  HN          6.00    (#    440:10  Unique         2.25, 2.70 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 441, 442,
 &end
#
#   28 LYS  HB-          28 LYS  HN          6.00    (#    441:10  Unique         2.25, 2.70 A)
 &rst
  ixpk= 441, nxpk= 10, iat=  -1, 437, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 441, 442,
 &end
#
#   81 GLY  HA+          81 GLY  HN          3.50    (#    442:10  Unique         2.30, 2.74 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   82 GLU  HN           81 GLY  HN          4.50    (#    443:10  Unique         1.66, 2.20 A)
 &rst
  ixpk= 443, nxpk= 10, iat=1303,1296, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 ASP  HA           81 GLY  HN          3.50    (#    444:10  Unique         2.16, 3.04 A)
 &rst
  ixpk= 444, nxpk= 10, iat=1286,1296, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 GLY  HA-          81 GLY  HN          3.50    (#    445:10  Unique         2.30, 2.74 A)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,1296, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1298,1299,
 &end
#
#   27 THR  HB           28 LYS  HN          3.50    (#    446:10  Unique         1.94, 2.45 A)
 &rst
  ixpk= 446, nxpk= 10, iat= 427, 437, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:448      0 AMB  10-1:448    6.00    (#    448:10  Double Ambig)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 571, 814,
 igr2= 588, 437,
 &end
#
#    0 AMB  10-2:449      0 AMB  10-1:449    3.50    (#    449:10  Double Ambig)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 594, 595, 596, 624, 625, 626, 628, 629, 630,1434,
      1435,1436,1438,1439,1440,
 igr2= 588, 437,
 &end
#
#   55 ILE  HN           56 LEU  HN          6.00    (#    450:10  Unique         2.56, 2.91 A)
 &rst
  ixpk= 450, nxpk= 10, iat= 855, 874, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   56 LEU  HB-          56 LEU  HN          4.50    (#    451:10  Unique         2.12, 2.95 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 878, 879,
 &end
#
#   57 GLU  HN           56 LEU  HN          6.00    (#    452:10  Unique         2.30, 2.95 A)
 &rst
  ixpk= 452, nxpk= 10, iat= 893, 874, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   56 LEU  HA           56 LEU  HN          4.50    (#    453:10  Unique         2.24, 2.89 A)
 &rst
  ixpk= 453, nxpk= 10, iat= 876, 874, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:454     56 LEU  HN          3.50    (#    454:10  Single Ambig)
 &rst
  ixpk= 454, nxpk= 10, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 878, 879, 960, 961, 960, 961,
 &end
#
#    0 AMB  10-2:455     56 LEU  HN          6.00    (#    455:10  Single Ambig)
 &rst
  ixpk= 455, nxpk= 10, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 881, 401, 402, 401, 402,
 &end
#
#    0 AMB  10-2:456     56 LEU  HN          4.50    (#    456:10  Single Ambig)
 &rst
  ixpk= 456, nxpk= 10, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 865, 866, 883, 884, 885, 887, 888, 889,
 &end
#
#   39 VAL  HN           38 THR  HN          6.00    (#    457:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 457, nxpk= 10, iat= 602, 588, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   38 THR  HB           38 THR  HN          2.80    (#    458:10  Unique         2.49, 2.65 A)
 &rst
  ixpk= 458, nxpk= 10, iat= 592, 588, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:459     38 THR  HN          3.50    (#    459:10  Single Ambig)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 590, 535, 536,
 &end
#
#    0 AMB  10-2:460     38 THR  HN          3.50    (#    460:10  Single Ambig)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 575, 576, 578, 579,
 &end
#
#   37 GLN  HB-          38 THR  HN          4.50    (#    461:10  Unique         2.28, 3.18 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 575, 576,
 &end
#
#   73 THR  HA           74 PHE  HN          6.00    (#    463:10  Unique         2.06, 2.23 A)
 &rst
  ixpk= 463, nxpk= 10, iat=1162,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   73 THR  HB           74 PHE  HN          6.00    (#    464:10  Unique         2.09, 3.28 A)
 &rst
  ixpk= 464, nxpk= 10, iat=1164,1174, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   73 THR  HG1          74 PHE  HN          4.50    (#    465:10  Unique         4.01, 4.34 A)
 &rst
  ixpk= 465, nxpk= 10, iat=1170,1174, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 THR  MG2          74 PHE  HN          6.00    (#    466:10  Unique         2.48, 4.30 A)
 &rst
  ixpk= 466, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1166,1167,1168,
 &end
#
#   48 ALA  HN           47 ASN  HN          2.80    (#    467:10  Unique         1.87, 2.23 A)
 &rst
  ixpk= 467, nxpk= 10, iat= 755, 741, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   46 LEU  HN           47 ASN  HN          3.50    (#    468:10  Unique         2.56, 2.62 A)
 &rst
  ixpk= 468, nxpk= 10, iat= 722, 741, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   47 ASN  HA           47 ASN  HN          2.80    (#    469:10  Unique         2.29, 2.36 A)
 &rst
  ixpk= 469, nxpk= 10, iat= 743, 741, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   47 ASN  HB-          47 ASN  HN          4.50    (#    470:10  Unique         3.52, 3.81 A)
 &rst
  ixpk= 470, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 745, 746,
 &end
#
#   46 LEU  HB-          47 ASN  HN          6.00    (#    471:10  Unique         2.43, 3.28 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 726, 727,
 &end
#
#   48 ALA  MB           47 ASN  HN          6.00    (#    472:10  Unique         3.65, 4.42 A)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 759, 760, 761,
 &end
#
#   47 ASN  HB+          47 ASN  HN          4.50    (#    473:10  Unique         3.52, 3.81 A)
 &rst
  ixpk= 473, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 745, 746,
 &end
#
#   46 LEU  HB+          47 ASN  HN          6.00    (#    474:10  Unique         2.43, 3.28 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 726, 727,
 &end
#
#   26 GLY  HA+          26 GLY  HN          6.00    (#    475:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 418, 419,
 &end
#
#   25 LYS  HA           26 GLY  HN          3.50    (#    476:10  Unique         2.83, 3.31 A)
 &rst
  ixpk= 476, nxpk= 10, iat= 396, 416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:477     26 GLY  HN          6.00    (#    477:10  Single Ambig)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 401, 402, 401, 402,
 &end
#
#   26 GLY  HA-          26 GLY  HN          6.00    (#    478:10  Unique         2.29, 2.73 A)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 418, 419,
 &end
#
#   50 PHE  HD           50 PHE  HN          4.50    (#    479:10  Unique         2.09, 3.76 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 787, 795,
 &end
#
#   50 PHE  HA           50 PHE  HN          4.50    (#    480:10  Unique         2.78, 2.90 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 781, 779, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 PRO  HA           50 PHE  HN          2.80    (#    481:10  Unique         2.19, 2.43 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 775, 779, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   49 PRO  HB+          50 PHE  HN          4.50    (#    482:10  Unique         2.21, 3.48 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 772, 773,
 &end
#
#   50 PHE  HB-          50 PHE  HN          6.00    (#    483:10  Unique         2.28, 3.51 A)
 &rst
  ixpk= 483, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 783, 784,
 &end
#
#   49 PRO  HB-          50 PHE  HN          4.50    (#    484:10  Unique         2.21, 3.48 A)
 &rst
  ixpk= 484, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 772, 773,
 &end
#
#   57 GLU  HB-          58 ASN  HN          6.00    (#    485:10  Unique         2.27, 3.44 A)
 &rst
  ixpk= 485, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 897, 898,
 &end
#
#    0 AMB  10-2:486     58 ASN  HN          6.00    (#    486:10  Single Ambig)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 857, 924,
 &end
#
#   58 ASN  HB+          58 ASN  HN          4.50    (#    487:10  Unique         2.35, 3.01 A)
 &rst
  ixpk= 487, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 912, 913,
 &end
#
#   57 GLU  HA           58 ASN  HN          6.00    (#    488:10  Unique         3.46, 3.55 A)
 &rst
  ixpk= 488, nxpk= 10, iat= 895, 908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   58 ASN  HB-          58 ASN  HN          6.00    (#    489:10  Unique         2.35, 3.01 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 912, 913,
 &end
#
#   52 SER  HA           22 LEU  HN          6.00    (#    490:10  Unique         2.28, 2.86 A)
 &rst
  ixpk= 490, nxpk= 10, iat= 816, 338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   21 VAL  HA           22 LEU  HN          2.80    (#    491:10  Unique         2.09, 2.16 A)
 &rst
  ixpk= 491, nxpk= 10, iat= 324, 338, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:492     22 LEU  HN          3.50    (#    492:10  Single Ambig)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 338, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 342, 343, 328, 329, 330, 332, 333, 334,
 &end
#
#   22 LEU  HB+          22 LEU  HN          4.50    (#    493:10  Unique         2.23, 2.79 A)
 &rst
  ixpk= 493, nxpk= 10, iat=  -1, 338, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 342, 343,
 &end
#
#   21 VAL  MGX          22 LEU  HN          4.50    (#    494:10  Unique         2.48, 4.28 A)
 &rst
  ixpk= 494, nxpk= 10, iat=  -1, 338, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  10-2:495     50 PHE  HN          6.00    (#    495:10  Single Ambig)
 &rst
  ixpk= 495, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 450, 451, 769, 770,
 &end
#
#    0 AMB  10-2:497     58 ASN  HN          4.50    (#    497:10  Single Ambig)
 &rst
  ixpk= 497, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 897, 898, 900, 901, 900, 901,
 &end
#
#    0 AMB  10-2:498     58 ASN  HN          6.00    (#    498:10  Single Ambig)
 &rst
  ixpk= 498, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 960, 961, 960, 961,
 &end
#
#    0 AMB  10-2:499    107 MET  HN          3.50    (#    499:10  Single Ambig)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1693,1666,
 &end
#
#  107 MET  HA          107 MET  HN          3.50    (#    500:10  Unique         2.86, 2.91 A)
 &rst
  ixpk= 500, nxpk= 10, iat=1678,1676, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 MET  HG-         107 MET  HN          4.50    (#    501:10  Unique         2.34, 3.16 A)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1683,1684,
 &end
#
#  107 MET  HB+         107 MET  HN          2.80    (#    502:10  Unique         2.24, 2.98 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#  106 ALA  MB          107 MET  HN          3.50    (#    503:10  Unique         2.56, 3.53 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1670,1671,1672,
 &end
#
#   56 LEU  HA           57 GLU  HN          6.00    (#    504:10  Unique         2.33, 3.24 A)
 &rst
  ixpk= 504, nxpk= 10, iat= 876, 893, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   57 GLU  HB-          57 GLU  HN          4.50    (#    505:10  Unique         2.24, 2.79 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 897, 898,
 &end
#
#   56 LEU  HN           57 GLU  HN          4.50    (#    506:10  Unique         2.30, 2.95 A)
 &rst
  ixpk= 506, nxpk= 10, iat= 874, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 ASN  HN           57 GLU  HN          4.50    (#    507:10  Unique         2.59, 2.86 A)
 &rst
  ixpk= 507, nxpk= 10, iat= 908, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 GLU  HA           57 GLU  HN          4.50    (#    508:10  Unique         2.22, 2.78 A)
 &rst
  ixpk= 508, nxpk= 10, iat= 895, 893, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:509     57 GLU  HN          2.80    (#    509:10  Single Ambig)
 &rst
  ixpk= 509, nxpk= 10, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 897, 898, 900, 901, 900, 901,
 &end
#
#   71 TRP  HD1          71 TRP  HE1         3.50    (#    511:10  Unique         2.54, 2.55 A)
 &rst
  ixpk= 511, nxpk= 10, iat=1130,1132, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 VAL  MGY          77 LEU  HN          6.00    (#    512:10  Unique         4.20, 6.59 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1225, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#  106 ALA  HA          107 MET  HN          6.00    (#    513:10  Unique         3.54, 3.59 A)
 &rst
  ixpk= 513, nxpk= 10, iat=1668,1676, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  104 GLU  HA          107 MET  HN          6.00    (#    515:10  Unique         3.24, 3.45 A)
 &rst
  ixpk= 515, nxpk= 10, iat=1631,1676, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:516     23 PHE  HN          2.80    (#    516:10  Single Ambig)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 340, 359,
 &end
#
#    0 AMB  10-2:517     23 PHE  HN          3.50    (#    517:10  Single Ambig)
 &rst
  ixpk= 517, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#   23 PHE  HD           23 PHE  HN          6.00    (#    518:10  Unique         2.44, 3.92 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 365, 373,
 &end
#
#   23 PHE  HB+          23 PHE  HN          6.00    (#    519:10  Unique         2.38, 3.05 A)
 &rst
  ixpk= 519, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 361, 362,
 &end
#
#   76 GLN  HA           77 LEU  HN          3.50    (#    520:10  Unique         2.14, 2.20 A)
 &rst
  ixpk= 520, nxpk= 10, iat=1210,1225, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 LEU  HB-          77 LEU  HN          6.00    (#    521:10  Unique         2.30, 2.58 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1225, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1229,1230,
 &end
#
#    9 THR  HB            9 THR  HN          2.80    (#    523:10  Unique         2.24, 2.44 A)
 &rst
  ixpk= 523, nxpk= 10, iat= 133, 129, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    9 THR  MG2           9 THR  HN          3.50    (#    524:10  Unique         4.16, 4.42 A)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 135, 136, 137,
 &end
#
#    8 LYS  HN            9 THR  HN          4.50    (#    525:10  Unique         2.77, 2.85 A)
 &rst
  ixpk= 525, nxpk= 10, iat= 107, 129, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 THR  HN            9 THR  HN          4.50    (#    526:10  Unique         2.71, 2.80 A)
 &rst
  ixpk= 526, nxpk= 10, iat= 143, 129, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 THR  HA            9 THR  HN          3.50    (#    527:10  Unique         2.78, 2.82 A)
 &rst
  ixpk= 527, nxpk= 10, iat= 131, 129, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 LYS  HA            9 THR  HN          6.00    (#    528:10  Unique         3.55, 3.58 A)
 &rst
  ixpk= 528, nxpk= 10, iat= 109, 129, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    8 LYS  HB-           9 THR  HN          3.50    (#    529:10  Unique         2.58, 3.21 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 111, 112,
 &end
#
#    0 AMB  10-2:530      9 THR  HN          6.00    (#    530:10  Single Ambig)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46,  38, 946, 947, 948, 950, 951, 952,
       946, 947, 948, 950, 951, 952,
 &end
#
#   71 TRP  HN           70 SER  HN          3.50    (#    531:10  Unique         2.03, 2.84 A)
 &rst
  ixpk= 531, nxpk= 10, iat=1122,1111, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 SER  HB+          70 SER  HN          3.50    (#    532:10  Unique         3.11, 3.82 A)
 &rst
  ixpk= 532, nxpk= 10, iat=  -1,1111, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1115,1116,
 &end
#
#   70 SER  HA           70 SER  HN          2.80    (#    533:10  Unique         2.23, 2.30 A)
 &rst
  ixpk= 533, nxpk= 10, iat=1113,1111, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   69 SER  HN           70 SER  HN          4.50    (#    534:10  Unique         2.31, 2.53 A)
 &rst
  ixpk= 534, nxpk= 10, iat=1100,1111, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:535     70 SER  HN          3.50    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1111, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1102,1066,
 &end
#
#   83 PHE  HD           83 PHE  HN          6.00    (#    536:10  Unique         2.03, 3.47 A)
 &rst
  ixpk= 536, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1326,1334,
 &end
#
#    8 LYS  HB+           9 THR  HN          4.50    (#    537:10  Unique         2.58, 3.21 A)
 &rst
  ixpk= 537, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 111, 112,
 &end
#
#   83 PHE  HZ           83 PHE  HN          6.00    (#    538:10  Unique         5.48, 5.78 A)
 &rst
  ixpk= 538, nxpk= 10, iat=1330,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   82 GLU  HA           83 PHE  HN          2.80    (#    539:10  Unique         2.15, 2.27 A)
 &rst
  ixpk= 539, nxpk= 10, iat=1305,1318, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   83 PHE  HA           83 PHE  HN          4.50    (#    540:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 540, nxpk= 10, iat=1320,1318, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   83 PHE  HB+          83 PHE  HN          3.50    (#    541:10  Unique         2.37, 3.13 A)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1322,1323,
 &end
#
#   82 GLU  HB+          83 PHE  HN          4.50    (#    542:10  Unique         2.57, 3.63 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1307,1308,
 &end
#
#   83 PHE  HB-          83 PHE  HN          3.50    (#    543:10  Unique         2.37, 3.13 A)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1322,1323,
 &end
#
#   82 GLU  HB-          83 PHE  HN          6.00    (#    544:10  Unique         2.57, 3.63 A)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1307,1308,
 &end
#
#   20 VAL  HA           21 VAL  HN          2.80    (#    545:10  Unique         2.12, 2.19 A)
 &rst
  ixpk= 545, nxpk= 10, iat= 308, 322, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:546     21 VAL  HN          3.50    (#    546:10  Single Ambig)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1, 322, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 312, 313, 314, 316, 317, 318,1275,1276,
 &end
#
#   58 ASN  HB+          58 ASN  HD2+        6.00    (#    547:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 547, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 912, 913,
 igr2= 917, 918,
 &end
#
#   61 LEU  MDY          58 ASN  HD2+        6.00    (#    548:10  Unique         2.72, 6.53 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 965, 966, 967, 969, 970, 971,
 igr2= 917, 918,
 &end
#
#   58 ASN  HB-          58 ASN  HD2+        4.50    (#    551:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 912, 913,
 igr2= 917, 918,
 &end
#
#   47 ASN  HA           47 ASN  HD2+        6.00    (#    553:10  Unique         2.37, 4.33 A)
 &rst
  ixpk= 553, nxpk= 10, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 750, 751,
 &end
#
#   47 ASN  HB-          47 ASN  HD2+        3.50    (#    554:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 554, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 745, 746,
 igr2= 750, 751,
 &end
#
#   47 ASN  HB+          47 ASN  HD2-        6.00    (#    556:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 556, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 745, 746,
 igr2= 750, 751,
 &end
#
#   47 ASN  HB-          47 ASN  HD2-        4.50    (#    558:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 745, 746,
 igr2= 750, 751,
 &end
#
#   28 LYS  HN           29 ASP  HN          6.00    (#    559:10  Unique         2.41, 2.65 A)
 &rst
  ixpk= 559, nxpk= 10, iat= 437, 459, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   29 ASP  HA           29 ASP  HN          4.50    (#    561:10  Unique         2.89, 2.94 A)
 &rst
  ixpk= 561, nxpk= 10, iat= 461, 459, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 LYS  HB-          29 ASP  HN          6.00    (#    562:10  Unique         2.74, 3.72 A)
 &rst
  ixpk= 562, nxpk= 10, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 441, 442,
 &end
#
#   28 LYS  HG-          29 ASP  HN          6.00    (#    563:10  Unique         2.54, 3.94 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 444, 445,
 &end
#
#   27 THR  HB           29 ASP  HN          6.00    (#    564:10  Unique         2.62, 3.12 A)
 &rst
  ixpk= 564, nxpk= 10, iat= 427, 459, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   29 ASP  HB+          29 ASP  HN          2.80    (#    565:10  Unique         2.37, 2.69 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 463, 464,
 &end
#
#   47 ASN  HB+          47 ASN  HD2+        4.50    (#    567:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 567, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 745, 746,
 igr2= 750, 751,
 &end
#
#    0 AMB  10-2:569      0 AMB  10-1:569    4.50    (#    569:10  Double Ambig)
 &rst
  ixpk= 569, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1006,1007,1006,1007,
 igr2=1011,1012,1011,1012,
 &end
#
#    0 AMB  10-2:574      0 AMB  10-1:574    4.50    (#    574:10  Double Ambig)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1603,1604,1006,1007,1006,1007,
 igr2=1608,1609,1011,1012,
 &end
#
#  102 GLN  HG-         102 GLN  HE2+        4.50    (#    576:10  Unique         2.20, 3.40 A)
 &rst
  ixpk= 576, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1603,1604,
 igr2=1608,1609,
 &end
#
#  102 GLN  HG+         102 GLN  HE2+        4.50    (#    577:10  Unique         2.20, 3.40 A)
 &rst
  ixpk= 577, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1603,1604,
 igr2=1608,1609,
 &end
#
#    0 AMB  10-2:578      0 AMB  10-1:578    4.50    (#    578:10  Double Ambig)
 &rst
  ixpk= 578, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.00, r4= 9.75,
 igr1=1600,1601,1600,1601,1534,1535,1534,1535,
 igr2=1608,1609,1608,1609,1608,1609,1608,1609,
 &end
#
#    0 AMB  10-2:579      0 AMB  10-1:579    6.00    (#    579:10  Double Ambig)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1654,1655,1654,1655,
 igr2=1608,1609,1608,1609,
 &end
#
#  102 GLN  HA          102 GLN  HE2+        6.00    (#    580:10  Unique         2.68, 4.19 A)
 &rst
  ixpk= 580, nxpk= 10, iat=1598,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1608,1609,
 &end
#
#    0 AMB  10-2:581      0 AMB  10-1:581    4.50    (#    581:10  Double Ambig)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1603,1604,1006,1007,1006,1007,
 igr2=1608,1609,1011,1012,
 &end
#
#    0 AMB  10-2:582      0 AMB  10-1:582    6.00    (#    582:10  Double Ambig)
 &rst
  ixpk= 582, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1=1654,1655,1654,1655,  35,  36,
 igr2=1608,1609,1011,1012,
 &end
#
#  102 GLN  HG+         102 GLN  HE2-        6.00    (#    584:10  Unique         2.20, 3.40 A)
 &rst
  ixpk= 584, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1603,1604,
 igr2=1608,1609,
 &end
#
#   54 ASN  HA           54 ASN  HN          4.50    (#    587:10  Unique         2.89, 2.91 A)
 &rst
  ixpk= 587, nxpk= 10, iat= 843, 841, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HA            0 AMB  10-1:588    2.80    (#    588:10  Single Ambig)
 &rst
  ixpk= 588, nxpk= 10, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 841, 825,
 &end
#
#   54 ASN  HB+          54 ASN  HN          6.00    (#    589:10  Unique         2.35, 2.79 A)
 &rst
  ixpk= 589, nxpk= 10, iat=  -1, 841, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 845, 846,
 &end
#
#   54 ASN  HB-          54 ASN  HN          4.50    (#    590:10  Unique         2.35, 2.79 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1, 841, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 845, 846,
 &end
#
#   52 SER  HA           53 VAL  HN          2.80    (#    591:10  Unique         2.11, 2.19 A)
 &rst
  ixpk= 591, nxpk= 10, iat= 816, 825, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   53 VAL  MGY           0 AMB  10-1:592    3.50    (#    592:10  Single Ambig)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 825, 841,
 &end
#
#   53 VAL  MGX           0 AMB  10-1:593    3.50    (#    593:10  Single Ambig)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 825, 841,
 &end
#
#   53 VAL  HB           53 VAL  HN          4.50    (#    594:10  Unique         2.39, 2.54 A)
 &rst
  ixpk= 594, nxpk= 10, iat= 829, 825, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ALA  HA           96 SER  HN          6.00    (#    595:10  Unique         3.15, 3.28 A)
 &rst
  ixpk= 595, nxpk= 10, iat=1461,1512, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   96 SER  HA           96 SER  HN          3.50    (#    596:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 596, nxpk= 10, iat=1514,1512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 LYS  HA           96 SER  HN          6.00    (#    597:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 597, nxpk= 10, iat=1492,1512, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   97 GLY  HN           96 SER  HN          3.50    (#    598:10  Unique         2.53, 2.60 A)
 &rst
  ixpk= 598, nxpk= 10, iat=1523,1512, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 SER  HB+          96 SER  HN          3.50    (#    599:10  Unique         2.51, 3.10 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1,1512, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1516,1517,
 &end
#
#   96 SER  HB-          96 SER  HN          4.50    (#    600:10  Unique         2.51, 3.10 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1,1512, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1516,1517,
 &end
#
#   95 LYS  HB-          96 SER  HN          3.50    (#    601:10  Unique         2.64, 3.28 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1,1512, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1494,1495,
 &end
#
#    0 AMB  10-2:602      0 AMB  10-1:602    6.00    (#    602:10  Double Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1588,1589,1310,1311,
 igr2=1608,1609,1608,1609,
 &end
#
#    0 AMB  10-2:604      0 AMB  10-1:604    6.00    (#    604:10  Double Ambig)
 &rst
  ixpk= 604, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 418, 419, 507,
 igr2= 517, 518, 517, 518,
 &end
#
#    0 AMB  10-2:605      0 AMB  10-1:605    4.50    (#    605:10  Double Ambig)
 &rst
  ixpk= 605, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518, 517, 518,
 &end
#
#    0 AMB  10-2:606    102 GLN  HE2-        4.50    (#    606:10  Single Ambig)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1600,1601,1600,1601,1534,1535,1534,1535,
 igr2=1608,1609,
 &end
#
#    0 AMB  10-2:609     32 GLN  HE2-        6.00    (#    609:10  Single Ambig)
 &rst
  ixpk= 609, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 512, 513, 512, 513,
 igr2= 517, 518,
 &end
#
#   52 SER  HB+          53 VAL  HN          6.00    (#    610:10  Unique         2.45, 3.97 A)
 &rst
  ixpk= 610, nxpk= 10, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 818, 819,
 &end
#
#    0 AMB  10-2:611     96 SER  HN          6.00    (#    611:10  Single Ambig)
 &rst
  ixpk= 611, nxpk= 10, iat=  -1,1512, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1=1463,1464,1465,1549,1550,
 &end
#
#   60 LEU  HA           63 GLN  HN          6.00    (#    612:10  Unique         3.39, 3.76 A)
 &rst
  ixpk= 612, nxpk= 10, iat= 939, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:613     63 GLN  HN          6.00    (#    613:10  Single Ambig)
 &rst
  ixpk= 613, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 941, 942, 960, 961, 960, 961,
 &end
#
#   64 GLY  HN           63 GLN  HN          4.50    (#    614:10  Unique         2.11, 2.44 A)
 &rst
  ixpk= 614, nxpk= 10, iat=1016, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLN  HA           63 GLN  HN          4.50    (#    615:10  Unique         2.89, 2.98 A)
 &rst
  ixpk= 615, nxpk= 10, iat=1001, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:616     63 GLN  HN          3.50    (#    616:10  Single Ambig)
 &rst
  ixpk= 616, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1006,1007,1006,1007,
 &end
#
#   63 GLN  HB-          63 GLN  HN          2.80    (#    617:10  Unique         2.34, 2.94 A)
 &rst
  ixpk= 617, nxpk= 10, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#    0 AMB  10-2:618     85 GLY  HN          6.00    (#    618:10  Single Ambig)
 &rst
  ixpk= 618, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1346,1354,1220,1221,
 &end
#
#   84 PHE  HB-          85 GLY  HN          4.50    (#    619:10  Unique         2.49, 3.30 A)
 &rst
  ixpk= 619, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1342,1343,
 &end
#
#    0 AMB  10-2:620     85 GLY  HN          6.00    (#    620:10  Single Ambig)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
 &end
#
#   84 PHE  HN           85 GLY  HN          4.50    (#    622:10  Unique         1.94, 2.14 A)
 &rst
  ixpk= 622, nxpk= 10, iat=1338,1358, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   85 GLY  HA-          85 GLY  HN          6.00    (#    623:10  Unique         2.38, 2.75 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1360,1361,
 &end
#
#    0 AMB  10-2:624     85 GLY  HN          6.00    (#    624:10  Single Ambig)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1232,1275,1276,
 &end
#
#   14 VAL  HN           15 VAL  HN          4.50    (#    625:10  Unique         2.79, 2.90 A)
 &rst
  ixpk= 625, nxpk= 10, iat= 210, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 THR  HN           15 VAL  HN          6.00    (#    626:10  Unique         2.74, 2.81 A)
 &rst
  ixpk= 626, nxpk= 10, iat= 242, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  HA           15 VAL  HN          6.00    (#    627:10  Unique         3.59, 3.63 A)
 &rst
  ixpk= 627, nxpk= 10, iat= 212, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  HB           15 VAL  HN          4.50    (#    628:10  Unique         2.55, 3.21 A)
 &rst
  ixpk= 628, nxpk= 10, iat= 214, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:629     15 VAL  HN          6.00    (#    629:10  Single Ambig)
 &rst
  ixpk= 629, nxpk= 10, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
       221, 222,
 &end
#
#   14 VAL  MGY          15 VAL  HN          6.00    (#    630:10  Unique         2.46, 4.33 A)
 &rst
  ixpk= 630, nxpk= 10, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#   15 VAL  MGY          15 VAL  HN          3.50    (#    631:10  Unique         2.17, 3.75 A)
 &rst
  ixpk= 631, nxpk= 10, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   94 TYR  HA          100 GLN  HE2+        6.00    (#    634:10  Unique         2.87, 5.82 A)
 &rst
  ixpk= 634, nxpk= 10, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1576,1577,
 &end
#
#  100 GLN  HG+         100 GLN  HE2+        2.80    (#    635:10  Unique         2.28, 3.42 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1571,1572,
 igr2=1576,1577,
 &end
#
#  100 GLN  HG-         100 GLN  HE2+        3.50    (#    636:10  Unique         2.28, 3.42 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1571,1572,
 igr2=1576,1577,
 &end
#
#   46 LEU  MDY         100 GLN  HE2+        6.00    (#    637:10  Unique         2.39, 5.68 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1576,1577,
 &end
#
#  100 GLN  HG+         100 GLN  HE2-        4.50    (#    644:10  Unique         2.28, 3.42 A)
 &rst
  ixpk= 644, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2=1576,1577,
 &end
#
#  100 GLN  HG-         100 GLN  HE2-        4.50    (#    645:10  Unique         2.28, 3.42 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1571,1572,
 igr2=1576,1577,
 &end
#
#    0 AMB  10-2:646     69 SER  HN          4.50    (#    646:10  Single Ambig)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1025,1081,
 &end
#
#   54 ASN  HB-          54 ASN  HD2+        6.00    (#    647:10  Unique         2.24, 3.22 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 845, 846,
 igr2= 850, 851,
 &end
#
#   94 TYR  HB+          94 TYR  HN          4.50    (#    649:10  Unique         2.32, 2.46 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#   93 ALA  HN           94 TYR  HN          6.00    (#    650:10  Unique         2.68, 2.76 A)
 &rst
  ixpk= 650, nxpk= 10, iat=1459,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:651     94 TYR  HN          4.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1471,1461,
 &end
#
#   94 TYR  HB-          94 TYR  HN          3.50    (#    652:10  Unique         2.32, 2.46 A)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1473,1474,
 &end
#
#    0 AMB  10-2:653     94 TYR  HN          4.50    (#    653:10  Single Ambig)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1463,1464,1465,1549,1550,
 &end
#
#   95 LYS  HN           94 TYR  HN          4.50    (#    654:10  Unique         2.64, 2.75 A)
 &rst
  ixpk= 654, nxpk= 10, iat=1490,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 SER  HN           69 SER  HN          4.50    (#    655:10  Unique         2.31, 2.53 A)
 &rst
  ixpk= 655, nxpk= 10, iat=1111,1100, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:656     69 SER  HN          6.00    (#    656:10  Single Ambig)
 &rst
  ixpk= 656, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1087,1096,1064,
 &end
#
#    0 AMB  10-2:657     69 SER  HN          4.50    (#    657:10  Single Ambig)
 &rst
  ixpk= 657, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1083,1084,1083,1084,
 &end
#
#   68 TYR  HN           69 SER  HN          6.00    (#    658:10  Unique         2.70, 2.83 A)
 &rst
  ixpk= 658, nxpk= 10, iat=1079,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   69 SER  HA           69 SER  HN          6.00    (#    659:10  Unique         2.92, 2.95 A)
 &rst
  ixpk= 659, nxpk= 10, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   69 SER  HB-          69 SER  HN          6.00    (#    660:10  Unique         2.45, 3.10 A)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:661      0 AMB  10-1:661    6.00    (#    661:10  Double Ambig)
 &rst
  ixpk= 661, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 575, 576, 495, 496,
 igr2= 583, 584, 583, 584,
 &end
#
#    0 AMB  10-2:662      0 AMB  10-1:662    6.00    (#    662:10  Double Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 498, 499, 495, 496,
 igr2= 583, 584, 583, 584,
 &end
#
#    0 AMB  10-2:664      0 AMB  10-1:664    6.00    (#    664:10  Double Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 578, 579, 578, 579, 575, 576,
 igr2= 583, 584, 583, 584, 583, 584,
 &end
#
#    0 AMB  10-2:667     37 GLN  HE2-        6.00    (#    667:10  Single Ambig)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 578, 579, 578, 579, 575, 576,
 igr2= 583, 584,
 &end
#
#    0 AMB  10-2:668     37 GLN  HE2-        6.00    (#    668:10  Single Ambig)
 &rst
  ixpk= 668, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 575, 576, 495, 496,
 igr2= 583, 584,
 &end
#
#    0 AMB  10-2:669     93 ALA  HN          6.00    (#    669:10  Single Ambig)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1,1459, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1350,1477,1486,
 &end
#
#    0 AMB  10-2:671      0 AMB  10-1:671    6.00    (#    671:10  Double Ambig)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
 igr1=1554,1555,1556,1558,1559,1560,1271,1272,1273,1619,
      1620,1621,1623,1624,1625,
 igr2=1459, 284,
 &end
#
#    0 AMB  10-2:676      0 AMB  10-1:676    6.00    (#    676:10  Double Ambig)
 &rst
  ixpk= 676, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1=1514, 724, 147, 743,1385,
 igr2=1490, 670, 937,
 &end
#
#    0 AMB  10-2:677      0 AMB  10-1:677    6.00    (#    677:10  Double Ambig)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 664, 665, 666,1234,1235,1236,1238,1239,1240,
 igr2=1490, 670,
 &end
#
#    6 ALA  HN            7 LEU  HN          6.00    (#    678:10  Unique         2.35, 2.67 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  78,  88, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:679      7 LEU  HN          3.50    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=  56,  57,  58,  82,  83,  84,
 &end
#
#    8 LYS  HB-           8 LYS  HN          3.50    (#    681:10  Unique         2.30, 2.94 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 111, 112,
 &end
#
#    0 AMB  10-2:682      8 LYS  HN          6.00    (#    682:10  Single Ambig)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  56,  57,  58,  82,  83,  84,
 &end
#
#    8 LYS  HB+           9 THR  HN          4.50    (#    683:10  Unique         2.58, 3.21 A)
 &rst
  ixpk= 683, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 111, 112,
 &end
#
#    0 AMB  10-2:684      9 THR  HN          6.00    (#    684:10  Single Ambig)
 &rst
  ixpk= 684, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 114, 115,  92,  93,
 &end
#
#    0 AMB  10-2:685      9 THR  HN          6.00    (#    685:10  Single Ambig)
 &rst
  ixpk= 685, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 149, 150, 151, 216, 217, 218, 220, 221, 222, 232,
       233, 234, 236, 237, 238,
 &end
#
#    0 AMB  10-2:686     10 THR  HN          6.00    (#    686:10  Single Ambig)
 &rst
  ixpk= 686, nxpk= 10, iat=  -1, 143, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=  92,  93, 114, 115, 941, 942,
 &end
#
#    7 LEU  HA           11 LEU  HN          4.50    (#    687:10  Unique         3.78, 3.96 A)
 &rst
  ixpk= 687, nxpk= 10, iat=  90, 157, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 LEU  HB+          11 LEU  HN          3.50    (#    688:10  Unique         2.15, 2.95 A)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 157, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 161, 162,
 &end
#
#    0 AMB  10-2:689      0 AMB  10-1:689    6.00    (#    689:10  Double Ambig)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 787, 795, 789, 793,1254,1259,
 igr2= 689, 176,
 &end
#
#   68 TYR  HH           12 ASP  HN          6.00    (#    690:10  Unique         2.83, 3.75 A)
 &rst
  ixpk= 690, nxpk= 10, iat=1092, 176, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:691      0 AMB  10-1:691    6.00    (#    691:10  Double Ambig)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.59, r4=12.34,
 igr1= 312, 313, 314, 316, 317, 318,  97,  98,  99, 101,
       102, 103,  97,  98,  99, 101, 102, 103, 608, 609,
       610, 612, 613, 614, 342, 343,
 igr2= 689, 176,
 &end
#
#   43 LEU  HB-          44 LYS  HN          6.00    (#    692:10  Unique         2.28, 2.90 A)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 689, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 674, 675,
 &end
#
#   15 VAL  HN           13 LYS  HN          6.00    (#    693:10  Unique         4.29, 4.43 A)
 &rst
  ixpk= 693, nxpk= 10, iat= 226, 188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   12 ASP  HA           13 LYS  HN          6.00    (#    694:10  Unique         3.61, 3.63 A)
 &rst
  ixpk= 694, nxpk= 10, iat= 178, 188, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   13 LYS  HA           14 VAL  HN          6.00    (#    695:10  Unique         3.58, 3.63 A)
 &rst
  ixpk= 695, nxpk= 10, iat= 190, 210, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   13 LYS  HG+          14 VAL  HN          6.00    (#    696:10  Unique         2.74, 4.60 A)
 &rst
  ixpk= 696, nxpk= 10, iat=  -1, 210, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 195, 196,
 &end
#
#   15 VAL  HA           15 VAL  HN          6.00    (#    697:10  Unique         2.80, 2.85 A)
 &rst
  ixpk= 697, nxpk= 10, iat= 228, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   16 THR  HB           16 THR  HN          6.00    (#    699:10  Unique         3.64, 3.67 A)
 &rst
  ixpk= 699, nxpk= 10, iat= 246, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   15 VAL  HA           16 THR  HN          6.00    (#    700:10  Unique         3.40, 3.55 A)
 &rst
  ixpk= 700, nxpk= 10, iat= 228, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  HA           16 THR  HN          6.00    (#    701:10  Unique         3.97, 4.44 A)
 &rst
  ixpk= 701, nxpk= 10, iat= 212, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   15 VAL  MGY          16 THR  HN          6.00    (#    702:10  Unique         2.63, 4.42 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1, 242, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#    0 AMB  10-2:703     17 SER  HN          6.00    (#    703:10  Single Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1, 256, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
       221, 222, 803, 804,
 &end
#
#   20 VAL  HA           20 VAL  HN          6.00    (#    705:10  Unique         2.84, 2.99 A)
 &rst
  ixpk= 705, nxpk= 10, iat= 308, 306, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   21 VAL  HB           21 VAL  HN          6.00    (#    706:10  Unique         2.58, 2.87 A)
 &rst
  ixpk= 706, nxpk= 10, iat= 326, 322, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   50 PHE  HD           22 LEU  HN          6.00    (#    707:10  Unique         3.13, 6.15 A)
 &rst
  ixpk= 707, nxpk= 10, iat=  -1, 338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 787, 795,
 &end
#
#   22 LEU  HA           22 LEU  HN          6.00    (#    708:10  Unique         2.97, 2.99 A)
 &rst
  ixpk= 708, nxpk= 10, iat= 340, 338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   23 PHE  HB-          23 PHE  HN          6.00    (#    709:10  Unique         2.38, 3.05 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 361, 362,
 &end
#
#   23 PHE  HD           24 MET  HN          6.00    (#    710:10  Unique         3.76, 5.17 A)
 &rst
  ixpk= 710, nxpk= 10, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 365, 373,
 &end
#
#    0 AMB  10-2:711     24 MET  HN          6.00    (#    711:10  Single Ambig)
 &rst
  ixpk= 711, nxpk= 10, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 829, 388, 389, 390,
 &end
#
#   55 ILE  HG1-         24 MET  HN          6.00    (#    712:10  Unique         2.36, 4.56 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1, 377, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 865, 866,
 &end
#
#    0 AMB  10-2:713     26 GLY  HN          6.00    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 512, 513, 512, 513,
 &end
#
#    0 AMB  10-2:714     26 GLY  HN          6.00    (#    714:10  Single Ambig)
 &rst
  ixpk= 714, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 878, 879, 960, 961,
 &end
#
#    0 AMB  10-2:715     26 GLY  HN          8.00    (#    715:10  Single Ambig)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1, 416, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
 igr1= 865, 866, 883, 884, 885, 887, 888, 889,
 &end
#
#   30 PHE  HN           27 THR  HN          6.00    (#    716:10  Unique         2.82, 3.14 A)
 &rst
  ixpk= 716, nxpk= 10, iat= 471, 423, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:717     27 THR  HN          6.00    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 512, 513, 512, 513, 463, 464,
 &end
#
#   35 PHE  HB-          38 THR  HN          6.00    (#    718:10  Unique         4.50, 5.50 A)
 &rst
  ixpk= 718, nxpk= 10, iat=  -1, 588, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 544, 545,
 &end
#
#   29 ASP  HN           28 LYS  HN          6.00    (#    719:10  Unique         2.41, 2.65 A)
 &rst
  ixpk= 719, nxpk= 10, iat= 459, 437, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   28 LYS  HA           28 LYS  HN          4.50    (#    720:10  Unique         2.86, 2.89 A)
 &rst
  ixpk= 720, nxpk= 10, iat= 439, 437, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   30 PHE  HN           29 ASP  HN          3.50    (#    721:10  Unique         2.26, 2.45 A)
 &rst
  ixpk= 721, nxpk= 10, iat= 471, 459, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:722     29 ASP  HN          6.00    (#    722:10  Single Ambig)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1, 459, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 475, 476, 845, 846,
 &end
#
#   56 LEU  HG           32 GLN  HE2+        8.00    (#    724:10  Unique         6.97, 8.41 A)
 &rst
  ixpk= 724, nxpk= 10, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
 igr2= 517, 518,
 &end
#
#    0 AMB  10-2:725     32 GLN  HE2-        6.00    (#    725:10  Single Ambig)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 418, 419, 507,
 igr2= 517, 518,
 &end
#
#    0 AMB  10-2:726     32 GLN  HE2-        6.00    (#    726:10  Single Ambig)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353, 881,
 igr2= 517, 518,
 &end
#
#    0 AMB  10-2:727      0 AMB  10-1:727    6.00    (#    727:10  Double Ambig)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.46, r4=11.21,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353, 401, 402,
 igr2= 505, 814,
 &end
#
#    0 AMB  10-2:728     33 CYS  HN          6.00    (#    728:10  Single Ambig)
 &rst
  ixpk= 728, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 535, 536, 418, 419,
 &end
#
#   33 CYS  HB-          33 CYS  HN          6.00    (#    729:10  Unique         2.32, 3.14 A)
 &rst
  ixpk= 729, nxpk= 10, iat=  -1, 522, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 526, 527,
 &end
#
#   35 PHE  HD           35 PHE  HN          6.00    (#    730:10  Unique         2.41, 3.69 A)
 &rst
  ixpk= 730, nxpk= 10, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 548, 556,
 &end
#
#   34 GLY  HA+          35 PHE  HN          6.00    (#    731:10  Unique         2.10, 2.82 A)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 540, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 535, 536,
 &end
#
#    0 AMB  10-2:733     37 GLN  HE2-        6.00    (#    733:10  Single Ambig)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 590, 535, 536,
 igr2= 583, 584,
 &end
#
#   39 VAL  HA           39 VAL  HN          6.00    (#    734:10  Unique         2.82, 2.84 A)
 &rst
  ixpk= 734, nxpk= 10, iat= 604, 602, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:735     39 VAL  HN          6.00    (#    735:10  Single Ambig)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1, 602, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 590,1374,
 &end
#
#   38 THR  HB           39 VAL  HN          6.00    (#    736:10  Unique         2.39, 2.51 A)
 &rst
  ixpk= 736, nxpk= 10, iat= 592, 602, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   37 GLN  HA           40 VAL  HN          6.00    (#    737:10  Unique         3.31, 3.59 A)
 &rst
  ixpk= 737, nxpk= 10, iat= 573, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   39 VAL  HA           40 VAL  HN          6.00    (#    738:10  Unique         3.59, 3.64 A)
 &rst
  ixpk= 738, nxpk= 10, iat= 604, 618, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   39 VAL  HB           40 VAL  HN          4.50    (#    739:10  Unique         2.68, 2.94 A)
 &rst
  ixpk= 739, nxpk= 10, iat= 606, 618, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 VAL  MGX          40 VAL  HN          6.00    (#    740:10  Unique         2.61, 4.56 A)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1, 618, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#   41 GLN  HN           42 ILE  HN          6.00    (#    741:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 741, nxpk= 10, iat= 634, 651, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   39 VAL  HA           42 ILE  HN          6.00    (#    742:10  Unique         3.27, 3.40 A)
 &rst
  ixpk= 742, nxpk= 10, iat= 604, 651, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:743     42 ILE  HN          6.00    (#    743:10  Single Ambig)
 &rst
  ixpk= 743, nxpk= 10, iat=  -1, 651, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 674, 675,1554,1555,1556,1558,1559,1560,
 &end
#
#   89 ILE  QG2          86 GLY  HN          6.00    (#    748:10  Unique         2.41, 4.14 A)
 &rst
  ixpk= 748, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1401,1402,1403,
 &end
#
#   89 ILE  HB           86 GLY  HN          6.00    (#    749:10  Unique         2.53, 3.37 A)
 &rst
  ixpk= 749, nxpk= 10, iat=1399,1365, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:752     45 SER  HN          6.00    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1, 711, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 787, 795, 789, 793, 791,
 &end
#
#   25 LYS  HA           25 LYS  HN          6.00    (#    753:10  Unique         2.86, 2.94 A)
 &rst
  ixpk= 753, nxpk= 10, iat= 396, 394, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   42 ILE  HA           45 SER  HN          6.00    (#    754:10  Unique         3.61, 3.82 A)
 &rst
  ixpk= 754, nxpk= 10, iat= 653, 711, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:755     25 LYS  HN          6.00    (#    755:10  Single Ambig)
 &rst
  ixpk= 755, nxpk= 10, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 398, 399, 404, 405,
 &end
#
#    0 AMB  10-2:756     25 LYS  HN          6.00    (#    756:10  Single Ambig)
 &rst
  ixpk= 756, nxpk= 10, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 401, 402, 401, 402,
 &end
#
#   55 ILE  QG2          25 LYS  HN          6.00    (#    757:10  Unique         3.56, 6.43 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 861, 862, 863,
 &end
#
#   25 LYS  HB-          25 LYS  HN          3.50    (#    758:10  Unique         2.31, 2.96 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1, 394, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 398, 399,
 &end
#
#   48 ALA  MB           46 LEU  HN          8.00    (#    759:10  Unique         4.90, 5.94 A)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
 igr1= 759, 760, 761,
 &end
#
#   43 LEU  HA           46 LEU  HN          6.00    (#    760:10  Unique         3.42, 3.56 A)
 &rst
  ixpk= 760, nxpk= 10, iat= 672, 722, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   45 SER  HB+          46 LEU  HN          6.00    (#    761:10  Unique         2.72, 3.50 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1, 722, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 715, 716,
 &end
#
#   47 ASN  HA           47 ASN  HD2-        6.00    (#    762:10  Unique         2.37, 4.33 A)
 &rst
  ixpk= 762, nxpk= 10, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 750, 751,
 &end
#
#   48 ALA  HA           47 ASN  HN          6.00    (#    763:10  Unique         4.52, 4.72 A)
 &rst
  ixpk= 763, nxpk= 10, iat= 757, 741, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   46 LEU  HG           47 ASN  HN          6.00    (#    764:10  Unique         3.53, 4.10 A)
 &rst
  ixpk= 764, nxpk= 10, iat= 729, 741, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   46 LEU  MDX          47 ASN  HN          6.00    (#    765:10  Unique         3.65, 5.50 A)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#   46 LEU  MDY          47 ASN  HN          6.00    (#    766:10  Unique         3.65, 5.50 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1, 741, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  10-2:767     48 ALA  HN          6.00    (#    767:10  Single Ambig)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 766, 767, 715, 716,
 &end
#
#   49 PRO  HD-          48 ALA  HN          6.00    (#    768:10  Unique         4.30, 4.91 A)
 &rst
  ixpk= 768, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 766, 767,
 &end
#
#   47 ASN  HB-          48 ALA  HN          6.00    (#    769:10  Unique         4.20, 4.57 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 745, 746,
 &end
#
#   47 ASN  HB+          48 ALA  HN          6.00    (#    770:10  Unique         4.20, 4.57 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 745, 746,
 &end
#
#    0 AMB  10-2:771     48 ALA  HN          6.00    (#    771:10  Single Ambig)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1, 755, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 769, 770, 772, 773,1680,1681,
 &end
#
#   51 GLU  HN           50 PHE  HN          6.00    (#    772:10  Unique         4.18, 4.43 A)
 &rst
  ixpk= 772, nxpk= 10, iat= 799, 779, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   50 PHE  HB+          50 PHE  HN          6.00    (#    773:10  Unique         2.28, 3.51 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 783, 784,
 &end
#
#    0 AMB  10-2:774     50 PHE  HN          6.00    (#    774:10  Single Ambig)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 759, 760, 761, 674, 675,
 &end
#
#   20 VAL  MGY          50 PHE  HN          6.00    (#    775:10  Unique         3.85, 6.13 A)
 &rst
  ixpk= 775, nxpk= 10, iat=  -1, 779, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  10-2:776     51 GLU  HN          6.00    (#    776:10  Single Ambig)
 &rst
  ixpk= 776, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 814, 306,
 &end
#
#   50 PHE  HN           51 GLU  HN          6.00    (#    777:10  Unique         4.18, 4.43 A)
 &rst
  ixpk= 777, nxpk= 10, iat= 779, 799, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   21 VAL  MGX          51 GLU  HN          6.00    (#    778:10  Unique         3.42, 5.02 A)
 &rst
  ixpk= 778, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   51 GLU  HB+          51 GLU  HN          4.50    (#    779:10  Unique         2.46, 2.96 A)
 &rst
  ixpk= 779, nxpk= 10, iat=  -1, 799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 803, 804,
 &end
#
#   93 ALA  HA           98 GLU  HN          6.00    (#    780:10  Unique         3.16, 3.42 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1461,1530, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   54 ASN  HB+          54 ASN  HD2+        6.00    (#    781:10  Unique         2.24, 3.22 A)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 845, 846,
 igr2= 850, 851,
 &end
#
#    0 AMB  10-2:782      0 AMB  10-1:782    6.00    (#    782:10  Double Ambig)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 900, 901, 900, 901, 897, 898,
 igr2= 850, 851, 850, 851, 850, 851,
 &end
#
#   27 THR  MG2          54 ASN  HD2+        6.00    (#    783:10  Unique         2.19, 4.90 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 429, 430, 431,
 igr2= 850, 851,
 &end
#
#   54 ASN  HB+          54 ASN  HD2-        6.00    (#    784:10  Unique         2.24, 3.22 A)
 &rst
  ixpk= 784, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 845, 846,
 igr2= 850, 851,
 &end
#
#   54 ASN  HB-          54 ASN  HD2-        6.00    (#    785:10  Unique         2.24, 3.22 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 845, 846,
 igr2= 850, 851,
 &end
#
#   27 THR  MG2          54 ASN  HD2-        6.00    (#    786:10  Unique         2.19, 4.90 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 429, 430, 431,
 igr2= 850, 851,
 &end
#
#    0 AMB  10-2:787     54 ASN  HD2-        6.00    (#    787:10  Single Ambig)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 900, 901, 900, 901, 897, 898,
 igr2= 850, 851,
 &end
#
#    0 AMB  10-2:788      0 AMB  10-1:788    6.00    (#    788:10  Double Ambig)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 377, 357,
 igr2= 825, 841,
 &end
#
#    0 AMB  10-2:789      0 AMB  10-1:789    6.00    (#    789:10  Double Ambig)
 &rst
  ixpk= 789, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 214, 463, 464, 512, 513, 512, 513, 512, 513,
 igr2= 825, 841,
 &end
#
#   55 ILE  QD1          55 ILE  HN          6.00    (#    790:10  Unique         2.19, 4.23 A)
 &rst
  ixpk= 790, nxpk= 10, iat=  -1, 855, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 868, 869, 870,
 &end
#
#   87 CYS  HB+          88 ASP  HN          6.00    (#    791:10  Unique         2.62, 3.38 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1383, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1376,1377,
 &end
#
#    0 AMB  10-2:793     56 LEU  HN          6.00    (#    793:10  Single Ambig)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1, 874, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 900, 901, 900, 901, 897, 898, 982, 983,
 &end
#
#   58 ASN  HA           57 GLU  HN          6.00    (#    794:10  Unique         5.28, 5.40 A)
 &rst
  ixpk= 794, nxpk= 10, iat= 910, 893, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   56 LEU  HB+          57 GLU  HN          6.00    (#    795:10  Unique         2.41, 3.63 A)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 878, 879,
 &end
#
#    0 AMB  10-2:796     57 GLU  HN          6.00    (#    796:10  Single Ambig)
 &rst
  ixpk= 796, nxpk= 10, iat=  -1, 893, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 883, 884, 885, 887, 888, 889, 965, 966, 967, 969,
       970, 971,
 &end
#
#   57 GLU  HN           58 ASN  HN          4.50    (#    798:10  Unique         2.59, 2.86 A)
 &rst
  ixpk= 798, nxpk= 10, iat= 893, 908, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:799     58 ASN  HN          6.00    (#    799:10  Single Ambig)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 917, 918, 874,
 &end
#
#   61 LEU  HN           58 ASN  HN          6.00    (#    800:10  Unique         4.01, 4.75 A)
 &rst
  ixpk= 800, nxpk= 10, iat= 956, 908, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:801     58 ASN  HN          6.00    (#    801:10  Single Ambig)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1, 908, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1= 883, 884, 885, 887, 888, 889, 831, 832, 833, 835,
       836, 837,  97,  98,  99, 101, 102, 103,  97,  98,
        99, 101, 102, 103,
 &end
#
#   58 ASN  HA           61 LEU  HN          6.00    (#    802:10  Unique         4.47, 4.82 A)
 &rst
  ixpk= 802, nxpk= 10, iat= 910, 956, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:803     62 ARG  HN          8.00    (#    803:10  Single Ambig)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
 igr1= 924, 876,
 &end
#
#    0 AMB  10-2:805    100 GLN  HE2-        6.00    (#    805:10  Single Ambig)
 &rst
  ixpk= 805, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1585,1586,1585,1586,
 igr2=1576,1577,
 &end
#
#   46 LEU  MDY         100 GLN  HE2-        6.00    (#    807:10  Unique         2.39, 5.68 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1576,1577,
 &end
#
#   65 LEU  HN           63 GLN  HN          6.00    (#    809:10  Unique         3.76, 4.14 A)
 &rst
  ixpk= 809, nxpk= 10, iat=1023, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   62 ARG  HA           63 GLN  HN          6.00    (#    810:10  Unique         3.44, 3.56 A)
 &rst
  ixpk= 810, nxpk= 10, iat= 977, 999, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   64 GLY  HA-          65 LEU  HN          6.00    (#    811:10  Unique         2.81, 3.29 A)
 &rst
  ixpk= 811, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1018,1019,
 &end
#
#    0 AMB  10-2:812     65 LEU  HN          6.00    (#    812:10  Single Ambig)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1083,1084,1083,1084,1055,1056,1055,1056,
 &end
#
#    0 AMB  10-2:813     65 LEU  HN          6.00    (#    813:10  Single Ambig)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1003,1004,1068,1069,1068,1069,
 &end
#
#    0 AMB  10-2:814     65 LEU  HN          6.00    (#    814:10  Single Ambig)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1,1023, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46,
 &end
#
#   65 LEU  HN           66 LYS  HN          6.00    (#    815:10  Unique         2.47, 2.87 A)
 &rst
  ixpk= 815, nxpk= 10, iat=1023,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   66 LYS  HA           67 GLU  HN          6.00    (#    818:10  Unique         3.52, 3.58 A)
 &rst
  ixpk= 818, nxpk= 10, iat=1044,1064, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   69 SER  HB+          69 SER  HN          6.00    (#    822:10  Unique         2.45, 3.10 A)
 &rst
  ixpk= 822, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:825     71 TRP  HN          6.00    (#    825:10  Single Ambig)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1102,1156,1066,
 &end
#
#   69 SER  HB-          71 TRP  HN          6.00    (#    826:10  Unique         2.42, 3.70 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:827      0 AMB  10-1:827    6.00    (#    827:10  Double Ambig)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 271, 272,1006,1007,
 igr2= 256,  50,
 &end
#
#    0 AMB  10-2:828      0 AMB  10-1:828    6.00    (#    828:10  Double Ambig)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1147,1148,1201,1202,
 igr2=1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:829      0 AMB  10-1:829    6.00    (#    829:10  Double Ambig)
 &rst
  ixpk= 829, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.00, r4=12.75,
 igr1=1215,1216,1215,1216,1212,1213,1212,1213,
 igr2=1220,1221,1220,1221,1220,1221,1220,1221,
 &end
#
#    0 AMB  10-2:830     76 GLN  HE2-        6.00    (#    830:10  Single Ambig)
 &rst
  ixpk= 830, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1215,1216,1215,1216,1212,1213,1212,1213,
 igr2=1220,1221,
 &end
#
#   76 GLN  HA           76 GLN  HN          6.00    (#    831:10  Unique         2.89, 2.95 A)
 &rst
  ixpk= 831, nxpk= 10, iat=1210,1208, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:832     76 GLN  HN          6.00    (#    832:10  Single Ambig)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1208, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#    0 AMB  10-2:833     76 GLN  HN          6.00    (#    833:10  Single Ambig)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1208, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1215,1216,1215,1216,1212,1213,1212,1213,
 &end
#
#   75 PRO  HB+          76 GLN  HN          6.00    (#    835:10  Unique         2.57, 3.18 A)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1208, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1201,1202,
 &end
#
#   77 LEU  HA           77 LEU  HN          6.00    (#    838:10  Unique         2.94, 2.97 A)
 &rst
  ixpk= 838, nxpk= 10, iat=1227,1225, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:839     77 LEU  HN          6.00    (#    839:10  Single Ambig)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1225, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1215,1216,1215,1216,1212,1213,1212,1213,
 &end
#
#    0 AMB  10-2:840     77 LEU  HN          6.00    (#    840:10  Single Ambig)
 &rst
  ixpk= 840, nxpk= 10, iat=  -1,1225, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
 &end
#
#    0 AMB  10-2:841     77 LEU  HN          6.00    (#    841:10  Single Ambig)
 &rst
  ixpk= 841, nxpk= 10, iat=  -1,1225, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1232,1275,1276,1166,1167,1168,
 &end
#
#   78 TYR  HA           78 TYR  HN          6.00    (#    842:10  Unique         2.97, 2.98 A)
 &rst
  ixpk= 842, nxpk= 10, iat=1246,1244, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   78 TYR  HB-          78 TYR  HN          6.00    (#    843:10  Unique         2.37, 2.85 A)
 &rst
  ixpk= 843, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1248,1249,
 &end
#
#   77 LEU  HB-          78 TYR  HN          6.00    (#    844:10  Unique         3.86, 4.17 A)
 &rst
  ixpk= 844, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1229,1230,
 &end
#
#    0 AMB  10-2:845     78 TYR  HN          6.00    (#    845:10  Single Ambig)
 &rst
  ixpk= 845, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1=1229,1230, 232, 233, 234, 236, 237, 238, 608, 609,
       610, 612, 613, 614,
 &end
#
#   77 LEU  MDX          78 TYR  HN          6.00    (#    846:10  Unique         1.95, 4.35 A)
 &rst
  ixpk= 846, nxpk= 10, iat=  -1,1244, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1234,1235,1236,1238,1239,1240,
 &end
#
#   80 ASP  HN           79 ILE  HN          6.00    (#    847:10  Unique         4.15, 4.26 A)
 &rst
  ixpk= 847, nxpk= 10, iat=1284,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   83 PHE  HA           79 ILE  HN          6.00    (#    848:10  Unique         3.30, 3.50 A)
 &rst
  ixpk= 848, nxpk= 10, iat=1320,1265, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   78 TYR  HB+          79 ILE  HN          6.00    (#    849:10  Unique         3.23, 4.14 A)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1248,1249,
 &end
#
#   79 ILE  HG1-         79 ILE  HN          6.00    (#    850:10  Unique         2.41, 3.24 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1265, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1275,1276,
 &end
#
#   81 GLY  HN           80 ASP  HN          6.00    (#    851:10  Unique         2.91, 3.31 A)
 &rst
  ixpk= 851, nxpk= 10, iat=1296,1284, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:852     80 ASP  HN          6.00    (#    852:10  Single Ambig)
 &rst
  ixpk= 852, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 286,1668,
 &end
#
#   80 ASP  HB-          80 ASP  HN          6.00    (#    853:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1288,1289,
 &end
#
#   80 ASP  HB+          80 ASP  HN          6.00    (#    854:10  Unique         2.28, 3.14 A)
 &rst
  ixpk= 854, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1288,1289,
 &end
#
#   81 GLY  HA-          80 ASP  HN          6.00    (#    855:10  Unique         5.24, 5.64 A)
 &rst
  ixpk= 855, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1298,1299,
 &end
#
#   80 ASP  HN           81 GLY  HN          6.00    (#    856:10  Unique         2.91, 3.31 A)
 &rst
  ixpk= 856, nxpk= 10, iat=1284,1296, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:858     82 GLU  HN          6.00    (#    858:10  Single Ambig)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1318,1338,
 &end
#
#   79 ILE  HA           82 GLU  HN          6.00    (#    860:10  Unique         4.56, 4.73 A)
 &rst
  ixpk= 860, nxpk= 10, iat=1267,1303, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   79 ILE  HG1+         82 GLU  HN          6.00    (#    861:10  Unique         3.23, 5.68 A)
 &rst
  ixpk= 861, nxpk= 10, iat=  -1,1303, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1275,1276,
 &end
#
#   80 ASP  HA           82 GLU  HN          6.00    (#    862:10  Unique         4.11, 4.74 A)
 &rst
  ixpk= 862, nxpk= 10, iat=1286,1303, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   79 ILE  HN           83 PHE  HN          6.00    (#    863:10  Unique         4.79, 4.91 A)
 &rst
  ixpk= 863, nxpk= 10, iat=1265,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   82 GLU  HN           83 PHE  HN          6.00    (#    864:10  Unique         4.35, 4.46 A)
 &rst
  ixpk= 864, nxpk= 10, iat=1303,1318, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   82 GLU  HG-          83 PHE  HN          6.00    (#    865:10  Unique         2.31, 3.99 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1310,1311,
 &end
#
#   82 GLU  HG+          83 PHE  HN          6.00    (#    866:10  Unique         2.31, 3.99 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1,1318, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1310,1311,
 &end
#
#   84 PHE  HA           84 PHE  HN          6.00    (#    868:10  Unique         2.94, 2.98 A)
 &rst
  ixpk= 868, nxpk= 10, iat=1340,1338, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   84 PHE  HB-          84 PHE  HN          6.00    (#    870:10  Unique         2.46, 2.68 A)
 &rst
  ixpk= 870, nxpk= 10, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1342,1343,
 &end
#
#    0 AMB  10-2:871     84 PHE  HN          6.00    (#    871:10  Single Ambig)
 &rst
  ixpk= 871, nxpk= 10, iat=  -1,1338, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1265,1225,
 &end
#
#   77 LEU  HN           85 GLY  HN          6.00    (#    873:10  Unique         3.00, 3.13 A)
 &rst
  ixpk= 873, nxpk= 10, iat=1225,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:874     85 GLY  HN          6.00    (#    874:10  Single Ambig)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1135,1365,
 &end
#
#   84 PHE  HA           85 GLY  HN          6.00    (#    875:10  Unique         3.42, 3.56 A)
 &rst
  ixpk= 875, nxpk= 10, iat=1340,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   77 LEU  HB-          85 GLY  HN          6.00    (#    876:10  Unique         2.91, 4.08 A)
 &rst
  ixpk= 876, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1229,1230,
 &end
#
#   84 PHE  HB+          85 GLY  HN          6.00    (#    877:10  Unique         2.49, 3.30 A)
 &rst
  ixpk= 877, nxpk= 10, iat=  -1,1358, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1342,1343,
 &end
#
#   83 PHE  HA           85 GLY  HN          6.00    (#    878:10  Unique         3.64, 3.96 A)
 &rst
  ixpk= 878, nxpk= 10, iat=1320,1358, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  HN           88 ASP  HN          6.00    (#    881:10  Unique         2.74, 2.86 A)
 &rst
  ixpk= 881, nxpk= 10, iat=1395,1383, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   88 ASP  HN           89 ILE  HN          6.00    (#    883:10  Unique         2.74, 2.86 A)
 &rst
  ixpk= 883, nxpk= 10, iat=1383,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   88 ASP  HA           89 ILE  HN          6.00    (#    885:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 885, nxpk= 10, iat=1385,1395, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  QD1          89 ILE  HN          6.00    (#    886:10  Unique         3.03, 4.70 A)
 &rst
  ixpk= 886, nxpk= 10, iat=  -1,1395, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1408,1409,1410,
 &end
#
#   89 ILE  QD1          90 THR  HN          6.00    (#    887:10  Unique         5.09, 5.85 A)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1408,1409,1410,
 &end
#
#   90 THR  HA           91 VAL  HN          6.00    (#    889:10  Unique         3.56, 3.59 A)
 &rst
  ixpk= 889, nxpk= 10, iat=1416,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   92 GLU  HA           91 VAL  HN          6.00    (#    890:10  Unique         5.45, 5.50 A)
 &rst
  ixpk= 890, nxpk= 10, iat=1446,1428, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:891     91 VAL  HN          6.00    (#    891:10  Single Ambig)
 &rst
  ixpk= 891, nxpk= 10, iat=  -1,1428, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1463,1464,1465,1500,1501,1500,1501,1549,1550,
 &end
#
#    0 AMB  10-2:892     91 VAL  HN          6.00    (#    892:10  Single Ambig)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1428, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 664, 665, 666,1401,1402,1403,
 &end
#
#   91 VAL  HA           92 GLU  HN          6.00    (#    893:10  Unique         3.61, 3.63 A)
 &rst
  ixpk= 893, nxpk= 10, iat=1430,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:894     92 GLU  HN          6.00    (#    894:10  Single Ambig)
 &rst
  ixpk= 894, nxpk= 10, iat=  -1,1444, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1397,1416,
 &end
#
#   88 ASP  HA           92 GLU  HN          6.00    (#    896:10  Unique         3.88, 4.13 A)
 &rst
  ixpk= 896, nxpk= 10, iat=1385,1444, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:897     71 TRP  HE1         8.00    (#    897:10  Single Ambig)
 &rst
  ixpk= 897, nxpk= 10, iat=  -1,1132, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
 igr1=1328,1332,1365,1135,
 &end
#
#   95 LYS  HG+          96 SER  HN          6.00    (#    900:10  Unique         4.01, 4.87 A)
 &rst
  ixpk= 900, nxpk= 10, iat=  -1,1512, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1497,1498,
 &end
#
#   99 LEU  HN           97 GLY  HN          6.00    (#    901:10  Unique         3.71, 3.86 A)
 &rst
  ixpk= 901, nxpk= 10, iat=1545,1523, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   96 SER  HB+          97 GLY  HN          6.00    (#    902:10  Unique         3.22, 3.86 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,1523, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1516,1517,
 &end
#
#  101 GLU  HN           99 LEU  HN          6.00    (#    903:10  Unique         4.12, 4.30 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1581,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   98 GLU  HA           99 LEU  HN          6.00    (#    904:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 904, nxpk= 10, iat=1532,1545, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:905     99 LEU  HN          6.00    (#    905:10  Single Ambig)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1545, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1537,1538,1603,1604,
 &end
#
#    0 AMB  10-2:906      0 AMB  10-1:906    6.00    (#    906:10  Double Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 960, 961, 960, 961, 941, 942,
 igr2= 917, 918, 917, 918, 917, 918,
 &end
#
#   58 ASN  HB+          58 ASN  HD2-        6.00    (#    908:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 912, 913,
 igr2= 917, 918,
 &end
#
#   58 ASN  HB-          58 ASN  HD2-        6.00    (#    909:10  Unique         2.22, 3.31 A)
 &rst
  ixpk= 909, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 912, 913,
 igr2= 917, 918,
 &end
#
#    0 AMB  10-2:910     58 ASN  HD2-        6.00    (#    910:10  Single Ambig)
 &rst
  ixpk= 910, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 960, 961, 960, 961, 941, 942,
 igr2= 917, 918,
 &end
#
#    0 AMB  10-2:911     58 ASN  HD2-        6.00    (#    911:10  Single Ambig)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
       970, 971,
 igr2= 917, 918,
 &end
#
#   99 LEU  HN          100 GLN  HN          6.00    (#    912:10  Unique         2.61, 2.70 A)
 &rst
  ixpk= 912, nxpk= 10, iat=1545,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  102 GLN  HN          100 GLN  HN          6.00    (#    913:10  Unique         4.24, 4.38 A)
 &rst
  ixpk= 913, nxpk= 10, iat=1596,1564, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   99 LEU  MDY         100 GLN  HN          6.00    (#    914:10  Unique         3.47, 5.33 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#   46 LEU  MDY         100 GLN  HN          6.00    (#    915:10  Unique         3.65, 5.04 A)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1564, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#   99 LEU  HN          101 GLU  HN          6.00    (#    916:10  Unique         4.12, 4.30 A)
 &rst
  ixpk= 916, nxpk= 10, iat=1545,1581, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:917    101 GLU  HN          6.00    (#    917:10  Single Ambig)
 &rst
  ixpk= 917, nxpk= 10, iat=  -1,1581, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
      1624,1625,
 &end
#
#    0 AMB  10-2:918      0 AMB  10-1:918    6.00    (#    918:10  Double Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1=1271,1272,1273,1554,1555,1556,1558,1559,1560,
 igr2=1608,1609,1608,1609,
 &end
#
#    0 AMB  10-2:919      0 AMB  10-1:919    6.00    (#    919:10  Double Ambig)
 &rst
  ixpk= 919, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1598, 924,
 igr2=1608,1609,1011,1012,
 &end
#
#  101 GLU  HG-         102 GLN  HE2-        6.00    (#    920:10  Unique         2.60, 5.93 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1588,1589,
 igr2=1608,1609,
 &end
#
#    0 AMB  10-2:922    102 GLN  HN          3.50    (#    922:10  Single Ambig)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1598,1583,
 &end
#
#    0 AMB  10-2:923    102 GLN  HN          6.00    (#    923:10  Single Ambig)
 &rst
  ixpk= 923, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1547,1566,
 &end
#
#  102 GLN  HE2-        102 GLN  HN          6.00    (#    924:10  Unique         2.48, 4.45 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1,1596, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1608,1609,
 &end
#
#  105 LYS  HN          103 VAL  HN          6.00    (#    925:10  Unique         4.14, 4.21 A)
 &rst
  ixpk= 925, nxpk= 10, iat=1644,1613, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:926    103 VAL  HN          6.00    (#    926:10  Single Ambig)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1,1613, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1603,1604,1636,1637,1636,1637,
 &end
#
#    0 AMB  10-2:927    104 GLU  HN          6.00    (#    927:10  Single Ambig)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1654,1655,1654,1655,1549,1550,
 &end
#
#  104 GLU  HB+         104 GLU  HN          2.80    (#    928:10  Unique         2.31, 2.60 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1633,1634,
 &end
#
#  100 GLN  HA          104 GLU  HN          6.00    (#    929:10  Unique         3.57, 3.86 A)
 &rst
  ixpk= 929, nxpk= 10, iat=1566,1629, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:930    105 LYS  HN          6.00    (#    930:10  Single Ambig)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1644, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1654,1655,1654,1655,
 &end
#
#  107 MET  HG-         106 ALA  HN          6.00    (#    931:10  Unique         4.62, 5.56 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1683,1684,
 &end
#
#    0 AMB  10-2:932    106 ALA  HN          6.00    (#    932:10  Single Ambig)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 8.30, r4= 9.05,
 igr1=1600,1601,1600,1601,1633,1634,1617,
 &end
#
#    0 AMB  10-2:933    106 ALA  HN          6.00    (#    933:10  Single Ambig)
 &rst
  ixpk= 933, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1633,1634, 288, 289,1585,1586,
 &end
#
#    0 AMB  10-2:934    106 ALA  HN          6.00    (#    934:10  Single Ambig)
 &rst
  ixpk= 934, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1288,1289,1680,1681,
 &end
#
#  103 VAL  MGX         106 ALA  HN          6.00    (#    935:10  Unique         5.18, 6.02 A)
 &rst
  ixpk= 935, nxpk= 10, iat=  -1,1666, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  10-2:936    107 MET  HN          4.50    (#    936:10  Single Ambig)
 &rst
  ixpk= 936, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1680,1681,1683,1684,
 &end
#
#    0 AMB  10-2:937    107 MET  HN          6.00    (#    937:10  Single Ambig)
 &rst
  ixpk= 937, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1648,1649,1648,1649,
 &end
#
#    0 AMB  10-2:939    107 MET  HN          6.00    (#    939:10  Single Ambig)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1,1676, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1697,1698,1697,1698, 297, 298, 297, 298,
 &end
#
#  107 MET  HA          108 CYS  HN          6.00    (#    940:10  Unique         3.57, 3.59 A)
 &rst
  ixpk= 940, nxpk= 10, iat=1678,1693, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  106 ALA  HA          108 CYS  HN          6.00    (#    941:10  Unique         4.47, 4.72 A)
 &rst
  ixpk= 941, nxpk= 10, iat=1668,1693, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  107 MET  HA          109 SER  HN          6.00    (#    942:10  Unique         3.94, 4.57 A)
 &rst
  ixpk= 942, nxpk= 10, iat=1678,1704, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  105 LYS  HA          109 SER  HN          6.00    (#    943:10  Unique         2.54, 3.65 A)
 &rst
  ixpk= 943, nxpk= 10, iat=1646,1704, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   88 ASP  HA           90 THR  HN          4.50    (#    944:10  Unique         4.36, 4.44 A)
 &rst
  ixpk= 944, nxpk= 10, iat=1385,1414, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:945    104 GLU  HN          4.50    (#    945:10  Single Ambig)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,1629, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1619,1620,1621,1623,1624,1625, 731, 732, 733, 735,
       736, 737,
 &end
#
#    0 AMB  10-2:946     27 THR  HN          6.00    (#    946:10  Single Ambig)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1, 423, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 505, 841,
 &end
#
#    8 LYS  HB+           7 LEU  HN          6.00    (#    947:10  Unique         4.65, 5.51 A)
 &rst
  ixpk= 947, nxpk= 10, iat=  -1,  88, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 111, 112,
 &end
#
#   93 ALA  HN           95 LYS  HN          6.00    (#    948:10  Unique         4.10, 4.27 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1459,1490, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   59 GLU  HG+          63 GLN  HE2+        8.00    (#    949:10  Unique         2.29, 5.86 A)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
 igr1= 929, 930,
 igr2=1011,1012,
 &end
#
#   94 TYR  HD           95 LYS  HN          6.00    (#    951:10  Unique         3.27, 4.58 A)
 &rst
  ixpk= 951, nxpk= 10, iat=  -1,1490, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1477,1486,
 &end
#
#   60 LEU  HB+          62 ARG  HN          6.00    (#    952:10  Unique         4.81, 5.61 A)
 &rst
  ixpk= 952, nxpk= 10, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 941, 942,
 &end
#
#   61 LEU  HA           62 ARG  HN          6.00    (#    953:10  Unique         3.41, 3.58 A)
 &rst
  ixpk= 953, nxpk= 10, iat= 958, 975, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   60 LEU  HA           64 GLY  HN          6.00    (#    954:10  Unique         2.61, 3.68 A)
 &rst
  ixpk= 954, nxpk= 10, iat= 939,1016, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:955     66 LYS  HN          6.00    (#    955:10  Single Ambig)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1042, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   65 LEU  HA           66 LYS  HN          6.00    (#    957:10  Unique         2.63, 3.52 A)
 &rst
  ixpk= 957, nxpk= 10, iat=1025,1042, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:960     67 GLU  HN          6.00    (#    960:10  Single Ambig)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1055,1056,1083,1084,1083,1084,
 &end
#
#    0 AMB  10-2:961     67 GLU  HN          6.00    (#    961:10  Single Ambig)
 &rst
  ixpk= 961, nxpk= 10, iat=  -1,1064, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1100,1016,
 &end
#
#    0 AMB  10-2:962     69 SER  HN          6.00    (#    962:10  Single Ambig)
 &rst
  ixpk= 962, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  10-2:963     74 PHE  HN          6.00    (#    963:10  Single Ambig)
 &rst
  ixpk= 963, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1212,1213,1212,1213,1215,1216,1215,1216,
 &end
#
#    0 AMB  10-2:964     74 PHE  HN          6.00    (#    964:10  Single Ambig)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1,1174, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1160,1182,1190,
 &end
#
#    0 AMB  10-2:965     94 TYR  HN          4.50    (#    965:10  Single Ambig)
 &rst
  ixpk= 965, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1350,1477,1486,
 &end
#
#   91 VAL  HA           94 TYR  HN          6.00    (#    966:10  Unique         3.41, 3.56 A)
 &rst
  ixpk= 966, nxpk= 10, iat=1430,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   90 THR  HA           94 TYR  HN          6.00    (#    967:10  Unique         3.68, 3.93 A)
 &rst
  ixpk= 967, nxpk= 10, iat=1416,1469, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   99 LEU  MDX          94 TYR  HN          4.50    (#    968:10  Unique         3.50, 5.41 A)
 &rst
  ixpk= 968, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#   99 LEU  MDY          94 TYR  HN          6.00    (#    969:10  Unique         3.50, 5.41 A)
 &rst
  ixpk= 969, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  10-2:970     94 TYR  HN          4.50    (#    970:10  Single Ambig)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1420,1421,1422,1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  10-2:971     94 TYR  HN          6.00    (#    971:10  Single Ambig)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 664, 665, 666,1401,1402,1403,
 &end
#
#   21 VAL  HA           21 VAL  HN          6.00    (#    972:10  Unique         2.98, 3.00 A)
 &rst
  ixpk= 972, nxpk= 10, iat= 324, 322, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   86 GLY  HA+          86 GLY  HN          6.00    (#    974:10  Unique         2.30, 2.61 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1367,1368,
 &end
#
#   86 GLY  HA-          86 GLY  HN          6.00    (#    975:10  Unique         2.30, 2.61 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,1365, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1367,1368,
 &end
#
#    0 AMB  10-2:977      9 THR  HN          6.00    (#    977:10  Single Ambig)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1, 129, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  80,  90,
 &end
#
#    9 THR  HB           10 THR  HN          3.50    (#    978:10  Unique         2.45, 2.64 A)
 &rst
  ixpk= 978, nxpk= 10, iat= 133, 143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LYS  HA           15 VAL  HN          6.00    (#    979:10  Unique         4.58, 4.75 A)
 &rst
  ixpk= 979, nxpk= 10, iat= 190, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   12 ASP  HA           15 VAL  HN          6.00    (#    980:10  Unique         3.40, 3.63 A)
 &rst
  ixpk= 980, nxpk= 10, iat= 178, 226, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  10-2:981     15 VAL  HN          6.00    (#    981:10  Single Ambig)
 &rst
  ixpk= 981, nxpk= 10, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 248, 249, 250, 195, 196,
 &end
#
#   13 LYS  HA           16 THR  HN          6.00    (#    983:10  Unique         3.42, 3.71 A)
 &rst
  ixpk= 983, nxpk= 10, iat= 190, 242, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  106 ALA  MB           80 ASP  HN          6.00    (#    985:10  Unique         2.34, 4.92 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1670,1671,1672,
 &end
#
#    0 AMB  10-2:986     80 ASP  HN          6.00    (#    986:10  Single Ambig)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1269, 288, 289,
 &end
#
#   19 LYS  HD+          80 ASP  HN          6.00    (#    987:10  Unique         3.28, 5.26 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 294, 295,
 &end
#
#   19 LYS  HB-          80 ASP  HN          6.00    (#    988:10  Unique         2.50, 4.57 A)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,1284, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 288, 289,
 &end
#
#    7 LEU  HB-           8 LYS  HN          4.50    (#    989:10  Unique         2.26, 3.12 A)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1, 107, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  92,  93,
 &end
#
#   69 SER  HB+          71 TRP  HN          6.00    (#    990:10  Unique         2.42, 3.70 A)
 &rst
  ixpk= 990, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1104,1105,
 &end
#
#   24 MET  HN           55 ILE  HN          6.00    (#    991:10  Unique         2.82, 3.15 A)
 &rst
  ixpk= 991, nxpk= 10, iat= 377, 855, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   54 ASN  HA           56 LEU  HN          8.00    (#    992:10  Unique         3.56, 3.98 A)
 &rst
  ixpk= 992, nxpk= 10, iat= 843, 874, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#   58 ASN  HB+          61 LEU  HN          6.00    (#    993:10  Unique         2.76, 3.91 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 956, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 912, 913,
 &end
#
#   71 TRP  HN           69 SER  HN          6.00    (#    994:10  Unique         4.06, 4.44 A)
 &rst
  ixpk= 994, nxpk= 10, iat=1122,1100, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   94 TYR  HN           94 TYR  HD          6.00    (#      0:25  Unique         4.55, 4.70 A)
 &rst
  ixpk= 0, nxpk= 25, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1477,1486,
 &end
#
#   94 TYR  HE           94 TYR  HD          2.80    (#      1:25  Unique         2.48, 3.73 A)
 &rst
  ixpk= 1, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1479,1484,
 igr2=1477,1486,
 &end
#
#   94 TYR  HA           94 TYR  HD          4.50    (#      2:25  Unique         2.37, 3.51 A)
 &rst
  ixpk= 2, nxpk= 25, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1477,1486,
 &end
#
#   94 TYR  HB+          94 TYR  HD          4.50    (#      3:25  Unique         2.32, 3.08 A)
 &rst
  ixpk= 3, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1473,1474,
 igr2=1477,1486,
 &end
#
#   94 TYR  HB-          94 TYR  HD          4.50    (#      4:25  Unique         2.32, 3.08 A)
 &rst
  ixpk= 4, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1473,1474,
 igr2=1477,1486,
 &end
#
#   99 LEU  MDX          94 TYR  HD          4.50    (#      5:25  Unique         2.30, 6.18 A)
 &rst
  ixpk= 5, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1477,1486,
 &end
#
#   42 ILE  QD1          94 TYR  HD          6.00    (#      6:25  Unique         2.72, 4.81 A)
 &rst
  ixpk= 6, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 664, 665, 666,
 igr2=1477,1486,
 &end
#
#   42 ILE  QG2          94 TYR  HD          6.00    (#      7:25  Unique         2.56, 4.19 A)
 &rst
  ixpk= 7, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 657, 658, 659,
 igr2=1477,1486,
 &end
#
#   84 PHE  HA           84 PHE  HD          6.00    (#      8:25  Unique         2.55, 3.45 A)
 &rst
  ixpk= 8, nxpk= 25, iat=1340,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1346,1354,
 &end
#
#   84 PHE  HB-          84 PHE  HD          6.00    (#      9:25  Unique         2.37, 3.08 A)
 &rst
  ixpk= 9, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1342,1343,
 igr2=1346,1354,
 &end
#
#    0 AMB  25-2:10      84 PHE  HD          6.00    (#     10:25  Single Ambig)
 &rst
  ixpk= 10, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.81, r4= 9.56,
 igr1=1463,1464,1465,1549,1550,
 igr2=1346,1354,
 &end
#
#    0 AMB  25-2:11      84 PHE  HD          4.50    (#     11:25  Single Ambig)
 &rst
  ixpk= 11, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1234,1235,1236,1238,1239,1240,1401,1402,1403,
 igr2=1346,1354,
 &end
#
#   83 PHE  HN           83 PHE  HD          6.00    (#     12:25  Unique         2.03, 3.47 A)
 &rst
  ixpk= 12, nxpk= 25, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1326,1334,
 &end
#
#   76 GLN  HE2-         83 PHE  HD          6.00    (#     13:25  Unique         2.90, 6.70 A)
 &rst
  ixpk= 13, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1220,1221,
 igr2=1326,1334,
 &end
#
#    0 AMB  25-2:14      83 PHE  HD          4.50    (#     14:25  Single Ambig)
 &rst
  ixpk= 14, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1328,1332,1135,
 igr2=1326,1334,
 &end
#
#   83 PHE  HA           83 PHE  HD          4.50    (#     15:25  Unique         2.35, 4.12 A)
 &rst
  ixpk= 15, nxpk= 25, iat=1320,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1326,1334,
 &end
#
#   83 PHE  HB+          83 PHE  HD          6.00    (#     16:25  Unique         2.36, 3.08 A)
 &rst
  ixpk= 16, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1322,1323,
 igr2=1326,1334,
 &end
#
#    0 AMB  25-2:17      83 PHE  HD          4.50    (#     17:25  Single Ambig)
 &rst
  ixpk= 17, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1322,1323,1126,1127,
 igr2=1326,1334,
 &end
#
#   81 GLY  HN           68 TYR  HD          8.00    (#     18:25  Unique         7.69, 9.43 A)
 &rst
  ixpk= 18, nxpk= 25, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
 igr2=1087,1096,
 &end
#
#   78 TYR  HH           68 TYR  HD          6.00    (#     19:25  Unique         2.54, 5.29 A)
 &rst
  ixpk= 19, nxpk= 25, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1087,1096,
 &end
#
#   68 TYR  HH           68 TYR  HD          4.50    (#     20:25  Unique         4.52, 4.95 A)
 &rst
  ixpk= 20, nxpk= 25, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1087,1096,
 &end
#
#   68 TYR  HA           68 TYR  HD          4.50    (#     21:25  Unique         2.45, 3.55 A)
 &rst
  ixpk= 21, nxpk= 25, iat=1081,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1087,1096,
 &end
#
#    0 AMB  25-2:22      68 TYR  HD          4.50    (#     22:25  Single Ambig)
 &rst
  ixpk= 22, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1083,1084,1083,1084,
 igr2=1087,1096,
 &end
#
#    0 AMB  25-2:23      68 TYR  HD          4.50    (#     23:25  Single Ambig)
 &rst
  ixpk= 23, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 igr2=1087,1096,
 &end
#
#    0 AMB  25-2:24      68 TYR  HD          4.50    (#     24:25  Single Ambig)
 &rst
  ixpk= 24, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2=1087,1096,
 &end
#
#   50 PHE  HN           50 PHE  HD          4.50    (#     25:25  Unique         2.09, 3.76 A)
 &rst
  ixpk= 25, nxpk= 25, iat= 779,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 787, 795,
 &end
#
#   50 PHE  HB+          50 PHE  HD          4.50    (#     26:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 26, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 783, 784,
 igr2= 787, 795,
 &end
#
#   50 PHE  HB-          50 PHE  HD          4.50    (#     27:25  Unique         2.35, 3.08 A)
 &rst
  ixpk= 27, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 783, 784,
 igr2= 787, 795,
 &end
#
#   22 LEU  HG           50 PHE  HD          6.00    (#     28:25  Unique         3.53, 6.08 A)
 &rst
  ixpk= 28, nxpk= 25, iat= 345,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 787, 795,
 &end
#
#    0 AMB  25-2:29       0 AMB  25-1:29     4.50    (#     29:25  Double Ambig)
 &rst
  ixpk= 29, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 550, 554, 481, 485,
 igr2= 548, 556, 483,
 &end
#
#    0 AMB  25-2:30       0 AMB  25-1:30     4.50    (#     30:25  Double Ambig)
 &rst
  ixpk= 30, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 548, 556, 483,
 igr2= 550, 554, 481, 485,
 &end
#
#   35 PHE  HA           35 PHE  HD          6.00    (#     31:25  Unique         2.43, 3.51 A)
 &rst
  ixpk= 31, nxpk= 25, iat= 542,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 548, 556,
 &end
#
#   35 PHE  HB+          35 PHE  HD          6.00    (#     32:25  Unique         2.28, 3.09 A)
 &rst
  ixpk= 32, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 544, 545,
 igr2= 548, 556,
 &end
#
#   23 PHE  HN           23 PHE  HD          4.50    (#     33:25  Unique         2.44, 3.92 A)
 &rst
  ixpk= 33, nxpk= 25, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 373,
 &end
#
#   76 GLN  HE2-         23 PHE  HD          4.50    (#     34:25  Unique         2.16, 5.48 A)
 &rst
  ixpk= 34, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1220,1221,
 igr2= 365, 373,
 &end
#
#    0 AMB  25-2:35      23 PHE  HD          6.00    (#     35:25  Single Ambig)
 &rst
  ixpk= 35, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 359, 340,
 igr2= 365, 373,
 &end
#
#   23 PHE  HB-          23 PHE  HD          6.00    (#     36:25  Unique         2.36, 3.09 A)
 &rst
  ixpk= 36, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 361, 362,
 igr2= 365, 373,
 &end
#
#   53 VAL  HB           23 PHE  HD          4.50    (#     37:25  Unique         2.20, 3.92 A)
 &rst
  ixpk= 37, nxpk= 25, iat= 829,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 365, 373,
 &end
#
#   53 VAL  MGY          23 PHE  HD          4.50    (#     38:25  Unique         2.71, 5.55 A)
 &rst
  ixpk= 38, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 365, 373,
 &end
#
#    0 AMB  25-2:39      23 PHE  HD          6.00    (#     39:25  Single Ambig)
 &rst
  ixpk= 39, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 861, 862, 863, 965, 966, 967, 969, 970, 971,
 igr2= 365, 373,
 &end
#
#    0 AMB  25-2:40      23 PHE  HD          4.50    (#     40:25  Single Ambig)
 &rst
  ixpk= 40, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1033,1034,1036,1037,1038, 328, 329, 330, 332,
       333, 334,
 igr2= 365, 373,
 &end
#
#   23 PHE  HD           23 PHE  HZ          4.50    (#     41:25  Unique         4.29, 4.30 A)
 &rst
  ixpk= 41, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 365, 373,
 &end
#
#   23 PHE  HE           23 PHE  HZ          3.50    (#     42:25  Unique         2.47, 2.48 A)
 &rst
  ixpk= 42, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 367, 371,
 &end
#
#   21 VAL  MGY          23 PHE  HZ          4.50    (#     43:25  Unique         2.52, 4.58 A)
 &rst
  ixpk= 43, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   15 VAL  MGY          23 PHE  HZ          6.00    (#     44:25  Unique         2.59, 5.79 A)
 &rst
  ixpk= 44, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   14 VAL  MGY          23 PHE  HZ          6.00    (#     45:25  Unique         2.58, 5.90 A)
 &rst
  ixpk= 45, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  25-2:46      23 PHE  HZ          6.00    (#     46:25  Single Ambig)
 &rst
  ixpk= 46, nxpk= 25, iat=  -1, 369, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 328, 329, 330, 332, 333, 334,1032,1033,1034,1036,
      1037,1038,
 &end
#
#   30 PHE  HB-          30 PHE  HD          6.00    (#     47:25  Unique         2.34, 3.09 A)
 &rst
  ixpk= 47, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 475, 476,
 igr2= 479, 487,
 &end
#
#   71 TRP  HE1          71 TRP  HD1         6.00    (#     48:25  Unique         2.54, 2.55 A)
 &rst
  ixpk= 48, nxpk= 25, iat=1132,1130, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   71 TRP  HZ2          71 TRP  HD1         8.00    (#     49:25  Unique         5.07, 5.08 A)
 &rst
  ixpk= 49, nxpk= 25, iat=1135,1130, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#    0 AMB  25-2:50      71 TRP  HD1         6.00    (#     50:25  Single Ambig)
 &rst
  ixpk= 50, nxpk= 25, iat=  -1,1130, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1212,1213,1212,1213,
 &end
#
#    0 AMB  25-2:52      83 PHE  HE          4.50    (#     52:25  Single Ambig)
 &rst
  ixpk= 52, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1326,1334, 367, 371,
 igr2=1328,1332,
 &end
#
#    0 AMB  25-2:54      83 PHE  HE          4.50    (#     54:25  Single Ambig)
 &rst
  ixpk= 54, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1212,1213,1212,1213,1215,1216,1215,1216,
 igr2=1328,1332,
 &end
#
#   94 TYR  HD           94 TYR  HE          2.80    (#     55:25  Unique         2.48, 3.73 A)
 &rst
  ixpk= 55, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1477,1486,
 igr2=1479,1484,
 &end
#
#    0 AMB  25-2:56      94 TYR  HE          4.50    (#     56:25  Single Ambig)
 &rst
  ixpk= 56, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 661, 662, 657, 658, 659,
 igr2=1479,1484,
 &end
#
#   42 ILE  QD1          94 TYR  HE          6.00    (#     57:25  Unique         3.81, 5.81 A)
 &rst
  ixpk= 57, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 664, 665, 666,
 igr2=1479,1484,
 &end
#
#   46 LEU  MDX          94 TYR  HE          6.00    (#     58:25  Unique         2.26, 6.03 A)
 &rst
  ixpk= 58, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1479,1484,
 &end
#
#   46 LEU  MDY          94 TYR  HE          4.50    (#     59:25  Unique         2.26, 6.03 A)
 &rst
  ixpk= 59, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1479,1484,
 &end
#
#   46 LEU  HB-          94 TYR  HE          4.50    (#     60:25  Unique         2.39, 5.70 A)
 &rst
  ixpk= 60, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 726, 727,
 igr2=1479,1484,
 &end
#
#   84 PHE  HE           84 PHE  HZ          3.50    (#     61:25  Unique         2.46, 2.48 A)
 &rst
  ixpk= 61, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1348,1352,
 &end
#
#   90 THR  HA           84 PHE  HZ          4.50    (#     62:25  Unique         3.62, 4.28 A)
 &rst
  ixpk= 62, nxpk= 25, iat=1416,1350, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  25-2:63      84 PHE  HZ          6.00    (#     63:25  Single Ambig)
 &rst
  ixpk= 63, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1534,1535,1534,1535,1600,1601,1600,1601,
 &end
#
#    0 AMB  25-2:64      84 PHE  HZ          4.50    (#     64:25  Single Ambig)
 &rst
  ixpk= 64, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1463,1464,1465,1549,1550,
 &end
#
#    0 AMB  25-2:65      84 PHE  HZ          6.00    (#     65:25  Single Ambig)
 &rst
  ixpk= 65, nxpk= 25, iat=  -1,1350, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1401,1402,1403,1234,1235,1236,1238,1239,1240,
 &end
#
#   84 PHE  HZ           84 PHE  HE          3.50    (#     66:25  Unique         2.46, 2.48 A)
 &rst
  ixpk= 66, nxpk= 25, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1348,1352,
 &end
#
#    0 AMB  25-2:67      84 PHE  HE          4.50    (#     67:25  Single Ambig)
 &rst
  ixpk= 67, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1463,1464,1465,1549,1550,
 igr2=1348,1352,
 &end
#
#    0 AMB  25-2:68      74 PHE  HD          6.00    (#     68:25  Single Ambig)
 &rst
  ixpk= 68, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1178,1179, 407, 408,
 igr2=1182,1190,
 &end
#
#   23 PHE  HZ           23 PHE  HE          4.50    (#     69:25  Unique         2.47, 2.48 A)
 &rst
  ixpk= 69, nxpk= 25, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 367, 371,
 &end
#
#   21 VAL  MGX          23 PHE  HE          6.00    (#     70:25  Unique         2.34, 5.16 A)
 &rst
  ixpk= 70, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 367, 371,
 &end
#
#   15 VAL  MGY          23 PHE  HE          6.00    (#     71:25  Unique         3.46, 7.04 A)
 &rst
  ixpk= 71, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 232, 233, 234, 236, 237, 238,
 igr2= 367, 371,
 &end
#
#   14 VAL  MGY          23 PHE  HE          6.00    (#     72:25  Unique         2.53, 6.88 A)
 &rst
  ixpk= 72, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 216, 217, 218, 220, 221, 222,
 igr2= 367, 371,
 &end
#
#    0 AMB  25-2:73      50 PHE  HE          6.00    (#     73:25  Single Ambig)
 &rst
  ixpk= 73, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 693, 694, 693, 694, 342, 343, 498, 499,
 igr2= 789, 793,
 &end
#
#   40 VAL  MGY          50 PHE  HE          6.00    (#     74:25  Unique         2.43, 4.83 A)
 &rst
  ixpk= 74, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 624, 625, 626, 628, 629, 630,
 igr2= 789, 793,
 &end
#
#    0 AMB  25-2:75      50 PHE  HE          4.50    (#     75:25  Single Ambig)
 &rst
  ixpk= 75, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 342, 343, 345,
 igr2= 789, 793,
 &end
#
#   43 LEU  MDX          50 PHE  HE          6.00    (#     76:25  Unique         5.04, 8.35 A)
 &rst
  ixpk= 76, nxpk= 25, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 789, 793,
 &end
#
#   40 VAL  MGY          50 PHE  HZ          4.50    (#     77:25  Unique         2.40, 4.48 A)
 &rst
  ixpk= 77, nxpk= 25, iat=  -1, 791, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#   71 TRP  HD1          71 TRP  HZ3         8.00    (#     78:25  Unique         6.71, 6.72 A)
 &rst
  ixpk= 78, nxpk= 25, iat=1130,1139, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#   89 ILE  QD1          71 TRP  HZ3         6.00    (#     79:25  Unique         2.54, 4.71 A)
 &rst
  ixpk= 79, nxpk= 25, iat=  -1,1139, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1408,1409,1410,
 &end
#
#   11 LEU  HN           11 LEU  HG          6.00    (#      0:20  Unique         2.25, 2.84 A)
 &rst
  ixpk= 0, nxpk= 20, iat= 157, 164, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   46 LEU  HN           46 LEU  HG          4.50    (#      1:20  Unique         2.57, 4.15 A)
 &rst
  ixpk= 1, nxpk= 20, iat= 722, 729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 PHE  HE           44 LYS  HG+         6.00    (#      2:20  Unique         2.29, 5.60 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 789, 793,
 igr2= 696, 697,
 &end
#
#   44 LYS  HN           44 LYS  HG+         6.00    (#      3:20  Unique         2.40, 4.03 A)
 &rst
  ixpk= 3, nxpk= 20, iat= 689,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 696, 697,
 &end
#
#    0 AMB  20-2:4       44 LYS  HG-         6.00    (#      4:20  Single Ambig)
 &rst
  ixpk= 4, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 789, 793, 787, 795,
 igr2= 696, 697,
 &end
#
#   43 LEU  HN           43 LEU  HG          6.00    (#      6:20  Unique         2.15, 2.34 A)
 &rst
  ixpk= 6, nxpk= 20, iat= 670, 677, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   55 ILE  HN           55 ILE  HG1-        6.00    (#      7:20  Unique         2.10, 3.04 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 855,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 865, 866,
 &end
#
#    0 AMB  20-2:8       65 LEU  MDY         4.50    (#      8:20  Single Ambig)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 365, 373,1182,1190,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   95 LYS  HN           95 LYS  HG-         6.00    (#      9:20  Unique         2.35, 3.14 A)
 &rst
  ixpk= 9, nxpk= 20, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1497,1498,
 &end
#
#    0 AMB  20-2:10      60 LEU  MDY         6.00    (#     10:20  Single Ambig)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1= 917, 918,1011,1012,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:11       0 AMB  20-1:11     6.00    (#     11:20  Double Ambig)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1= 975, 416,
 igr2= 946, 947, 948, 950, 951, 952, 881,
 &end
#
#   68 TYR  HD            0 AMB  20-1:12     4.50    (#     12:20  Single Ambig)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1087,1096,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#   40 VAL  HN           40 VAL  MGX         2.80    (#     14:20  Unique         2.22, 3.54 A)
 &rst
  ixpk= 14, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:15      40 VAL  MGX         3.50    (#     15:20  Single Ambig)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 791, 789, 793,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:16       0 AMB  20-1:16     6.00    (#     16:20  Double Ambig)
 &rst
  ixpk= 16, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
 igr1= 107,1225,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 347, 348, 349, 351, 352, 353, 347, 348,
       349, 351, 352, 353,
 &end
#
#    4 THR  HN            0 AMB  20-1:17     6.00    (#     17:20  Single Ambig)
 &rst
  ixpk= 17, nxpk= 20, iat=  50,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#    0 AMB  20-2:18       0 AMB  20-1:18     6.00    (#     18:20  Double Ambig)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.44, r4=12.19,
 igr1=1087,1096,1011,1012,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#    0 AMB  20-2:19      61 LEU  MDY         6.00    (#     19:20  Single Ambig)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 369,1220,1221,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:20      61 LEU  MDX         6.00    (#     20:20  Single Ambig)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 369,1220,1221,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#   40 VAL  HN           39 VAL  MGY         6.00    (#     21:20  Unique         2.61, 4.56 A)
 &rst
  ixpk= 21, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   39 VAL  HN           39 VAL  MGY         3.50    (#     22:20  Unique         2.27, 3.86 A)
 &rst
  ixpk= 22, nxpk= 20, iat= 602,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   91 VAL  HN           91 VAL  MGY         2.80    (#     23:20  Unique         2.32, 3.92 A)
 &rst
  ixpk= 23, nxpk= 20, iat=1428,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   23 PHE  HD           65 LEU  MDX         4.50    (#     24:20  Unique         2.21, 4.77 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 365, 373,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   68 TYR  HD           65 LEU  MDX         4.50    (#     25:20  Unique         2.43, 6.59 A)
 &rst
  ixpk= 25, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1087,1096,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   21 VAL  HN           20 VAL  MGY         4.50    (#     26:20  Unique         2.38, 4.35 A)
 &rst
  ixpk= 26, nxpk= 20, iat= 322,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   46 LEU  HN           46 LEU  MDY         4.50    (#     27:20  Unique         3.90, 5.03 A)
 &rst
  ixpk= 27, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   94 TYR  HD           46 LEU  MDY         6.00    (#     28:20  Unique         2.24, 6.29 A)
 &rst
  ixpk= 28, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1477,1486,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   94 TYR  HE           46 LEU  MDY         3.50    (#     29:20  Unique         2.26, 6.03 A)
 &rst
  ixpk= 29, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1479,1484,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    7 LEU  HN            0 AMB  20-1:30     6.00    (#     30:20  Single Ambig)
 &rst
  ixpk= 30, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#   84 PHE  HE           99 LEU  MDY         6.00    (#     31:20  Unique         2.59, 5.17 A)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1348,1352,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   21 VAL  HN           21 VAL  MGY         4.50    (#     32:20  Unique         2.53, 4.20 A)
 &rst
  ixpk= 32, nxpk= 20, iat= 322,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  20-2:33      21 VAL  MGY         4.50    (#     33:20  Single Ambig)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1252,1261,1254,1259,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#  103 VAL  HN          103 VAL  MGY         2.80    (#     34:20  Unique         2.43, 3.95 A)
 &rst
  ixpk= 34, nxpk= 20, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  104 GLU  HN          103 VAL  MGY         6.00    (#     35:20  Unique         3.43, 4.66 A)
 &rst
  ixpk= 35, nxpk= 20, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   11 LEU  HN           11 LEU  MDY         6.00    (#     36:20  Unique         2.34, 4.30 A)
 &rst
  ixpk= 36, nxpk= 20, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   23 PHE  HE           11 LEU  MDY         8.00    (#     37:20  Unique         2.36, 5.14 A)
 &rst
  ixpk= 37, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1= 367, 371,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   23 PHE  HZ           11 LEU  MDY         8.00    (#     38:20  Unique         2.35, 4.24 A)
 &rst
  ixpk= 38, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   14 VAL  HN           14 VAL  MGX         2.80    (#     39:20  Unique         2.28, 3.62 A)
 &rst
  ixpk= 39, nxpk= 20, iat= 210,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    4 THR  HN            4 THR  MG2         3.50    (#     40:20  Unique         2.04, 3.46 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  50,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=  56,  57,  58,
 &end
#
#   54 ASN  HD2-         27 THR  MG2         6.00    (#     41:20  Unique         2.19, 4.90 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 850, 851,
 igr2= 429, 430, 431,
 &end
#
#   55 ILE  HN           55 ILE  QG2         4.50    (#     42:20  Unique         2.17, 3.28 A)
 &rst
  ixpk= 42, nxpk= 20, iat= 855,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 861, 862, 863,
 &end
#
#    0 AMB  20-2:43      55 ILE  QG2         6.00    (#     43:20  Single Ambig)
 &rst
  ixpk= 43, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 365, 373,1182,1190,
 igr2= 861, 862, 863,
 &end
#
#   16 THR  HN           16 THR  MG2         3.50    (#     44:20  Unique         2.49, 3.46 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 242,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 248, 249, 250,
 &end
#
#    9 THR  HN            9 THR  MG2         6.00    (#     45:20  Unique         4.16, 4.42 A)
 &rst
  ixpk= 45, nxpk= 20, iat= 129,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 135, 136, 137,
 &end
#
#   10 THR  HN            9 THR  MG2         6.00    (#     46:20  Unique         3.52, 4.43 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 143,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 135, 136, 137,
 &end
#
#   28 LYS  HN           27 THR  MG2         6.00    (#     47:20  Unique         2.76, 4.36 A)
 &rst
  ixpk= 47, nxpk= 20, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 429, 430, 431,
 &end
#
#    0 AMB  20-2:48      27 THR  MG2         4.50    (#     48:20  Single Ambig)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 423, 479, 487,
 igr2= 429, 430, 431,
 &end
#
#    0 AMB  20-2:49      27 THR  MG2         6.00    (#     49:20  Single Ambig)
 &rst
  ixpk= 49, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1= 459, 850, 851,
 igr2= 429, 430, 431,
 &end
#
#    0 AMB  20-2:50      40 VAL  MGY         4.50    (#     50:20  Single Ambig)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 791, 789, 793,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#   15 VAL  HN           14 VAL  MGY         6.00    (#     51:20  Unique         2.46, 4.33 A)
 &rst
  ixpk= 51, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:52      14 VAL  MGY         4.50    (#     52:20  Single Ambig)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 369, 277,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:53      14 VAL  MGY         4.50    (#     53:20  Single Ambig)
 &rst
  ixpk= 53, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 280, 367, 371,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   56 LEU  HN           56 LEU  MDY         6.00    (#     54:20  Unique         2.69, 4.58 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   14 VAL  HN           14 VAL  MGY         4.50    (#     55:20  Unique         2.28, 3.62 A)
 &rst
  ixpk= 55, nxpk= 20, iat= 210,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#  103 VAL  HN          103 VAL  MGX         4.50    (#     56:20  Unique         2.43, 3.95 A)
 &rst
  ixpk= 56, nxpk= 20, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  104 GLU  HN          103 VAL  MGX         6.00    (#     57:20  Unique         3.43, 4.66 A)
 &rst
  ixpk= 57, nxpk= 20, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   22 LEU  HN           21 VAL  MGX         3.50    (#     58:20  Unique         2.48, 4.28 A)
 &rst
  ixpk= 58, nxpk= 20, iat= 338,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   23 PHE  HZ           21 VAL  MGX         4.50    (#     59:20  Unique         2.52, 4.58 A)
 &rst
  ixpk= 59, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   91 VAL  HN           91 VAL  MGX         4.50    (#     60:20  Unique         2.32, 3.92 A)
 &rst
  ixpk= 60, nxpk= 20, iat=1428,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   92 GLU  HN           91 VAL  MGX         6.00    (#     61:20  Unique         3.29, 4.62 A)
 &rst
  ixpk= 61, nxpk= 20, iat=1444,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:62      21 VAL  MGX         6.00    (#     62:20  Single Ambig)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 367, 371, 280,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   11 LEU  HN           10 THR  MG2         6.00    (#     63:20  Unique         3.47, 4.31 A)
 &rst
  ixpk= 63, nxpk= 20, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:64      10 THR  MG2         6.00    (#     64:20  Single Ambig)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1= 917, 918, 143,
 igr2= 149, 150, 151,
 &end
#
#   21 VAL  HN           20 VAL  MGX         6.00    (#     65:20  Unique         2.38, 4.35 A)
 &rst
  ixpk= 65, nxpk= 20, iat= 322,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   15 VAL  HN           15 VAL  MGY         3.50    (#     66:20  Unique         2.17, 3.75 A)
 &rst
  ixpk= 66, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   23 PHE  HZ           15 VAL  MGY         8.00    (#     67:20  Unique         2.59, 5.79 A)
 &rst
  ixpk= 67, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   23 PHE  HE           15 VAL  MGY         4.50    (#     68:20  Unique         3.46, 7.04 A)
 &rst
  ixpk= 68, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 367, 371,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   43 LEU  HN           43 LEU  MDY         4.50    (#     69:20  Unique         3.29, 4.36 A)
 &rst
  ixpk= 69, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:70       0 AMB  20-1:70     4.50    (#     70:20  Double Ambig)
 &rst
  ixpk= 70, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 306, 825, 841,
 igr2= 312, 313, 314, 316, 317, 318, 831, 832, 833, 835,
       836, 837,
 &end
#
#   23 PHE  HD           53 VAL  MGY         4.50    (#     71:20  Unique         2.71, 5.55 A)
 &rst
  ixpk= 71, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 365, 373,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   23 PHE  HZ           53 VAL  MGY         4.50    (#     72:20  Unique         3.04, 5.33 A)
 &rst
  ixpk= 72, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#    0 AMB  20-2:73      53 VAL  MGX         3.50    (#     73:20  Single Ambig)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 825, 841,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   23 PHE  HZ           53 VAL  MGX         4.50    (#     74:20  Unique         3.04, 5.33 A)
 &rst
  ixpk= 74, nxpk= 20, iat= 369,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   94 TYR  HN           93 ALA  MB          4.50    (#     75:20  Unique         2.66, 3.52 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1463,1464,1465,
 &end
#
#   93 ALA  HN           93 ALA  MB          2.80    (#     76:20  Unique         2.38, 2.82 A)
 &rst
  ixpk= 76, nxpk= 20, iat=1459,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1463,1464,1465,
 &end
#
#   99 LEU  HN           93 ALA  MB          4.50    (#     77:20  Unique         2.49, 3.59 A)
 &rst
  ixpk= 77, nxpk= 20, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1463,1464,1465,
 &end
#
#   84 PHE  HZ           93 ALA  MB          2.80    (#     78:20  Unique         2.16, 2.81 A)
 &rst
  ixpk= 78, nxpk= 20, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1463,1464,1465,
 &end
#
#   84 PHE  HE           93 ALA  MB          6.00    (#     79:20  Unique         2.24, 4.00 A)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1348,1352,
 igr2=1463,1464,1465,
 &end
#
#   48 ALA  HN           48 ALA  MB          2.80    (#     80:20  Unique         2.69, 3.33 A)
 &rst
  ixpk= 80, nxpk= 20, iat= 755,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 759, 760, 761,
 &end
#
#   15 VAL  HN           15 VAL  MGX         3.50    (#     81:20  Unique         2.17, 3.75 A)
 &rst
  ixpk= 81, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   16 THR  HN           15 VAL  MGX         6.00    (#     82:20  Unique         2.63, 4.42 A)
 &rst
  ixpk= 82, nxpk= 20, iat= 242,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   68 TYR  HH           15 VAL  MGX         4.50    (#     83:20  Unique         2.74, 5.36 A)
 &rst
  ixpk= 83, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#  107 MET  HN          106 ALA  MB          4.50    (#     84:20  Unique         2.56, 3.53 A)
 &rst
  ixpk= 84, nxpk= 20, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1670,1671,1672,
 &end
#
#  106 ALA  HN          106 ALA  MB          2.80    (#     85:20  Unique         2.43, 2.86 A)
 &rst
  ixpk= 85, nxpk= 20, iat=1666,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1670,1671,1672,
 &end
#
#    7 LEU  HN            6 ALA  MB          4.50    (#     86:20  Unique         2.20, 3.42 A)
 &rst
  ixpk= 86, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  82,  83,  84,
 &end
#
#   32 GLN  HN           24 MET  ME          4.50    (#     87:20  Unique         2.48, 3.72 A)
 &rst
  ixpk= 87, nxpk= 20, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 388, 389, 390,
 &end
#
#   40 VAL  HN           24 MET  ME          6.00    (#     88:20  Unique         5.36, 6.72 A)
 &rst
  ixpk= 88, nxpk= 20, iat= 618,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 388, 389, 390,
 &end
#
#   27 THR  HN           24 MET  ME          6.00    (#     89:20  Unique         2.71, 4.85 A)
 &rst
  ixpk= 89, nxpk= 20, iat= 423,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:90      79 ILE  QG2         6.00    (#     90:20  Single Ambig)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1265,1613,
 igr2=1271,1272,1273,
 &end
#
#   84 PHE  HZ           89 ILE  QG2         6.00    (#     91:20  Unique         4.50, 6.30 A)
 &rst
  ixpk= 91, nxpk= 20, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1401,1402,1403,
 &end
#
#   89 ILE  HN           89 ILE  QG2         6.00    (#     92:20  Unique         2.04, 4.12 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1401,1402,1403,
 &end
#
#   42 ILE  HN           42 ILE  QG2         6.00    (#     93:20  Unique         4.14, 4.47 A)
 &rst
  ixpk= 93, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 657, 658, 659,
 &end
#
#   43 LEU  HN           42 ILE  QG2         6.00    (#     94:20  Unique         2.74, 3.78 A)
 &rst
  ixpk= 94, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 657, 658, 659,
 &end
#
#   94 TYR  HD           42 ILE  QG2         4.50    (#     95:20  Unique         2.56, 4.19 A)
 &rst
  ixpk= 95, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1477,1486,
 igr2= 657, 658, 659,
 &end
#
#   22 LEU  HN           22 LEU  HB+         4.50    (#     96:20  Unique         2.23, 2.79 A)
 &rst
  ixpk= 96, nxpk= 20, iat= 338,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 342, 343,
 &end
#
#    0 AMB  20-2:97       0 AMB  20-1:97     6.00    (#     97:20  Double Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 787, 795, 789, 793,
 igr2= 342, 343, 342, 343,
 &end
#
#    0 AMB  20-2:98       0 AMB  20-1:98     4.50    (#     98:20  Double Ambig)
 &rst
  ixpk= 98, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1365,1135,
 igr2=1360,1361,1360,1361,
 &end
#
#    0 AMB  20-2:99      85 GLY  HA-         4.50    (#     99:20  Single Ambig)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1365,1135,
 igr2=1360,1361,
 &end
#
#   94 TYR  HD           42 ILE  QD1         6.00    (#    100:20  Unique         2.72, 4.81 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1477,1486,
 igr2= 664, 665, 666,
 &end
#
#   77 LEU  HN           77 LEU  HB-         6.00    (#    101:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 101, nxpk= 20, iat=1225,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:102     89 ILE  QD1         4.50    (#    102:20  Single Ambig)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1365,1135,
 igr2=1408,1409,1410,
 &end
#
#   71 TRP  HZ3          89 ILE  QD1         4.50    (#    103:20  Unique         2.54, 4.71 A)
 &rst
  ixpk= 103, nxpk= 20, iat=1139,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1408,1409,1410,
 &end
#
#   84 PHE  HD           79 ILE  QD1         4.50    (#    104:20  Unique         2.25, 4.94 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1346,1354,
 igr2=1278,1279,1280,
 &end
#
#   68 TYR  HH            8 LYS  HE+         6.00    (#    107:20  Unique         3.43, 6.13 A)
 &rst
  ixpk= 107, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 120, 121,
 &end
#
#   46 LEU  HN           46 LEU  HB+         4.50    (#    108:20  Unique         2.13, 2.50 A)
 &rst
  ixpk= 108, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 726, 727,
 &end
#
#   65 LEU  HN           65 LEU  HB-         4.50    (#    109:20  Unique         2.24, 2.62 A)
 &rst
  ixpk= 109, nxpk= 20, iat=1023,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#   46 LEU  HN           46 LEU  HB-         6.00    (#    110:20  Unique         2.13, 2.50 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 726, 727,
 &end
#
#   66 LYS  HN           65 LEU  HB-         6.00    (#    111:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 111, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1027,1028,
 &end
#
#   62 ARG  HN            0 AMB  20-1:112    4.50    (#    112:20  Single Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 960, 961, 960, 961,
 &end
#
#   61 LEU  HN            0 AMB  20-1:113    2.80    (#    113:20  Single Ambig)
 &rst
  ixpk= 113, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 960, 961, 960, 961,
 &end
#
#   65 LEU  HN           65 LEU  HB+         4.50    (#    114:20  Unique         2.24, 2.62 A)
 &rst
  ixpk= 114, nxpk= 20, iat=1023,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#   66 LYS  HN           65 LEU  HB+         4.50    (#    115:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 115, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1027,1028,
 &end
#
#   74 PHE  HE           65 LEU  HB+         8.00    (#    116:20  Unique         2.61, 5.11 A)
 &rst
  ixpk= 116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
 igr1=1184,1188,
 igr2=1027,1028,
 &end
#
#    7 LEU  HN            7 LEU  HB-         4.50    (#    117:20  Unique         2.29, 2.49 A)
 &rst
  ixpk= 117, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  92,  93,
 &end
#
#   50 PHE  HD           50 PHE  HB+         3.50    (#    118:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 787, 795,
 igr2= 783, 784,
 &end
#
#   51 GLU  HN           50 PHE  HB-         6.00    (#    119:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 119, nxpk= 20, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 783, 784,
 &end
#
#   50 PHE  HD           50 PHE  HB-         6.00    (#    120:20  Unique         2.35, 3.08 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 787, 795,
 igr2= 783, 784,
 &end
#
#    7 LEU  HN            7 LEU  HB+         4.50    (#    121:20  Unique         2.29, 2.49 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  88,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  92,  93,
 &end
#
#   84 PHE  HD           84 PHE  HB+         4.50    (#    122:20  Unique         2.37, 3.08 A)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1346,1354,
 igr2=1342,1343,
 &end
#
#   84 PHE  HN           84 PHE  HB+         6.00    (#    123:20  Unique         2.46, 2.68 A)
 &rst
  ixpk= 123, nxpk= 20, iat=1338,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1342,1343,
 &end
#
#   84 PHE  HD           84 PHE  HB-         4.50    (#    124:20  Unique         2.37, 3.08 A)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1346,1354,
 igr2=1342,1343,
 &end
#
#   29 ASP  HN           29 ASP  HB+         6.00    (#    125:20  Unique         2.37, 2.69 A)
 &rst
  ixpk= 125, nxpk= 20, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 463, 464,
 &end
#
#   29 ASP  HN           29 ASP  HB-         4.50    (#    126:20  Unique         2.37, 2.69 A)
 &rst
  ixpk= 126, nxpk= 20, iat= 459,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 463, 464,
 &end
#
#   60 LEU  HN           60 LEU  HB+         3.50    (#    127:20  Unique         2.34, 2.96 A)
 &rst
  ixpk= 127, nxpk= 20, iat= 937,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 941, 942,
 &end
#
#   61 LEU  HN           60 LEU  HB+         6.00    (#    128:20  Unique         2.41, 3.35 A)
 &rst
  ixpk= 128, nxpk= 20, iat= 956,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 941, 942,
 &end
#
#   79 ILE  HN           79 ILE  HB          6.00    (#    129:20  Unique         2.96, 3.22 A)
 &rst
  ixpk= 129, nxpk= 20, iat=1265,1269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   60 LEU  HN           60 LEU  HB-         4.50    (#    130:20  Unique         2.34, 2.96 A)
 &rst
  ixpk= 130, nxpk= 20, iat= 937,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 941, 942,
 &end
#
#    0 AMB  20-2:131     28 LYS  HE-         6.00    (#    131:20  Single Ambig)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 791, 789, 793,
 igr2= 450, 451,
 &end
#
#   56 LEU  HN           56 LEU  HB-         6.00    (#    132:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 878, 879,
 &end
#
#   99 LEU  HN           99 LEU  HB+         4.50    (#    133:20  Unique         2.21, 2.51 A)
 &rst
  ixpk= 133, nxpk= 20, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1549,1550,
 &end
#
#   99 LEU  HN           99 LEU  HB-         6.00    (#    134:20  Unique         2.21, 2.51 A)
 &rst
  ixpk= 134, nxpk= 20, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1549,1550,
 &end
#
#   68 TYR  HD            0 AMB  20-1:135    2.80    (#    135:20  Single Ambig)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1087,1096,
 igr2=1083,1084,1083,1084,
 &end
#
#   68 TYR  HN            0 AMB  20-1:136    3.50    (#    136:20  Single Ambig)
 &rst
  ixpk= 136, nxpk= 20, iat=1079,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1083,1084,1083,1084,
 &end
#
#   56 LEU  HN           56 LEU  HB+         6.00    (#    137:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 137, nxpk= 20, iat= 874,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 878, 879,
 &end
#
#   43 LEU  HN           43 LEU  HB+         6.00    (#    138:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 138, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 674, 675,
 &end
#
#   43 LEU  HN           43 LEU  HB-         6.00    (#    139:20  Unique         2.35, 2.98 A)
 &rst
  ixpk= 139, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 674, 675,
 &end
#
#   74 PHE  HD           74 PHE  HB+         4.50    (#    140:20  Unique         2.32, 3.08 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1182,1190,
 igr2=1178,1179,
 &end
#
#   74 PHE  HD           74 PHE  HB-         4.50    (#    141:20  Unique         2.32, 3.08 A)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1182,1190,
 igr2=1178,1179,
 &end
#
#   13 LYS  HN           12 ASP  HB+         6.00    (#    142:20  Unique         2.48, 3.22 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 180, 181,
 &end
#
#   12 ASP  HN           12 ASP  HB-         3.50    (#    143:20  Unique         2.44, 2.49 A)
 &rst
  ixpk= 143, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 180, 181,
 &end
#
#   13 LYS  HN           12 ASP  HB-         4.50    (#    144:20  Unique         2.48, 3.22 A)
 &rst
  ixpk= 144, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 180, 181,
 &end
#
#   12 ASP  HN           12 ASP  HB+         4.50    (#    145:20  Unique         2.44, 2.49 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 180, 181,
 &end
#
#   11 LEU  HN           11 LEU  HB+         4.50    (#    146:20  Unique         2.15, 2.95 A)
 &rst
  ixpk= 146, nxpk= 20, iat= 157,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 161, 162,
 &end
#
#   89 ILE  HN            0 AMB  20-1:147    6.00    (#    147:20  Single Ambig)
 &rst
  ixpk= 147, nxpk= 20, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1387,1388,1387,1388,
 &end
#
#    0 AMB  20-2:148      0 AMB  20-1:148    6.00    (#    148:20  Double Ambig)
 &rst
  ixpk= 148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1383, 922,
 igr2=1387,1388,1387,1388, 912, 913,
 &end
#
#    0 AMB  20-2:149     58 ASN  HB-         6.00    (#    149:20  Single Ambig)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 917, 918, 908,
 igr2= 912, 913,
 &end
#
#    0 AMB  20-2:150      0 AMB  20-1:150    4.50    (#    150:20  Double Ambig)
 &rst
  ixpk= 150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 365, 373,1182,1190,
 igr2= 361, 362, 361, 362,
 &end
#
#    0 AMB  20-2:151     23 PHE  HB-         3.50    (#    151:20  Single Ambig)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 365, 373,1182,1190,
 igr2= 361, 362,
 &end
#
#   30 PHE  HN           30 PHE  HB+         6.00    (#    152:20  Unique         2.54, 3.05 A)
 &rst
  ixpk= 152, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 475, 476,
 &end
#
#    0 AMB  20-2:153     30 PHE  HB-         4.50    (#    153:20  Single Ambig)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 479, 487, 423,
 igr2= 475, 476,
 &end
#
#    0 AMB  20-2:154      0 AMB  20-1:154    4.50    (#    154:20  Double Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 479, 487, 423,
 igr2= 475, 476, 475, 476,
 &end
#
#   30 PHE  HN           30 PHE  HB-         4.50    (#    155:20  Unique         2.54, 3.05 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 471,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 475, 476,
 &end
#
#   89 ILE  HN           89 ILE  HB          4.50    (#    156:20  Unique         2.42, 2.54 A)
 &rst
  ixpk= 156, nxpk= 20, iat=1395,1399, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   90 THR  HN           89 ILE  HB          4.50    (#    157:20  Unique         2.52, 3.13 A)
 &rst
  ixpk= 157, nxpk= 20, iat=1414,1399, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 TYR  HD           94 TYR  HB+         4.50    (#    158:20  Unique         2.32, 3.08 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1486,
 igr2=1473,1474,
 &end
#
#   94 TYR  HN           94 TYR  HB+         4.50    (#    159:20  Unique         2.32, 2.46 A)
 &rst
  ixpk= 159, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#   94 TYR  HN           94 TYR  HB-         4.50    (#    160:20  Unique         2.32, 2.46 A)
 &rst
  ixpk= 160, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#   94 TYR  HD           94 TYR  HB-         3.50    (#    161:20  Unique         2.32, 3.08 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1477,1486,
 igr2=1473,1474,
 &end
#
#   54 ASN  HN           54 ASN  HB+         4.50    (#    162:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 162, nxpk= 20, iat= 841,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 845, 846,
 &end
#
#   54 ASN  HD2+         54 ASN  HB+         4.50    (#    163:20  Unique         2.24, 3.22 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 850, 851,
 igr2= 845, 846,
 &end
#
#    0 AMB  20-2:164      0 AMB  20-1:164    4.50    (#    164:20  Double Ambig)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1318,1338,
 igr2=1322,1323,1322,1323,
 &end
#
#   83 PHE  HD           83 PHE  HB+         4.50    (#    165:20  Unique         2.36, 3.08 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1326,1334,
 igr2=1322,1323,
 &end
#
#   54 ASN  HN           54 ASN  HB-         6.00    (#    166:20  Unique         2.35, 2.79 A)
 &rst
  ixpk= 166, nxpk= 20, iat= 841,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 845, 846,
 &end
#
#   83 PHE  HD           83 PHE  HB-         4.50    (#    167:20  Unique         2.36, 3.08 A)
 &rst
  ixpk= 167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1326,1334,
 igr2=1322,1323,
 &end
#
#    0 AMB  20-2:168     83 PHE  HB-         3.50    (#    168:20  Single Ambig)
 &rst
  ixpk= 168, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1318,1338,
 igr2=1322,1323,
 &end
#
#   40 VAL  HN           40 VAL  HA          4.50    (#    169:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 169, nxpk= 20, iat= 618, 620, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:170     40 VAL  HA          4.50    (#    170:20  Single Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 787, 795, 789, 793, 791,
 &end
#
#   42 ILE  HN           42 ILE  HB          4.50    (#    171:20  Unique         2.14, 2.23 A)
 &rst
  ixpk= 171, nxpk= 20, iat= 651, 655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   47 ASN  HN           47 ASN  HB+         6.00    (#    172:20  Unique         3.52, 3.81 A)
 &rst
  ixpk= 172, nxpk= 20, iat= 741,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 745, 746,
 &end
#
#   47 ASN  HD2+         47 ASN  HB-         4.50    (#    173:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 750, 751,
 igr2= 745, 746,
 &end
#
#   47 ASN  HN           47 ASN  HB-         4.50    (#    174:20  Unique         3.52, 3.81 A)
 &rst
  ixpk= 174, nxpk= 20, iat= 741,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 745, 746,
 &end
#
#  103 VAL  HN          103 VAL  HA          4.50    (#    175:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 175, nxpk= 20, iat=1613,1615, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 SER  HN           98 GLU  HG+         4.50    (#    176:20  Unique         4.64, 5.44 A)
 &rst
  ixpk= 176, nxpk= 20, iat=1512,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1537,1538,
 &end
#
#   96 SER  HN           98 GLU  HG-         6.00    (#    177:20  Unique         4.64, 5.44 A)
 &rst
  ixpk= 177, nxpk= 20, iat=1512,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1537,1538,
 &end
#
#   67 GLU  HN           67 GLU  HG+         6.00    (#    178:20  Unique         2.17, 3.53 A)
 &rst
  ixpk= 178, nxpk= 20, iat=1064,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1071,1072,
 &end
#
#   57 GLU  HN            0 AMB  20-1:179    4.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat= 893,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 900, 901, 900, 901,
 &end
#
#  101 GLU  HN          101 GLU  HG+         4.50    (#    180:20  Unique         2.64, 4.39 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1588,1589,
 &end
#
#   92 GLU  HN           92 GLU  HG+         3.50    (#    181:20  Unique         2.37, 3.05 A)
 &rst
  ixpk= 181, nxpk= 20, iat=1444,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1451,1452,
 &end
#
#  101 GLU  HN          101 GLU  HG-         4.50    (#    182:20  Unique         2.64, 4.39 A)
 &rst
  ixpk= 182, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1588,1589,
 &end
#
#    0 AMB  20-2:183      0 AMB  20-1:183    4.50    (#    183:20  Double Ambig)
 &rst
  ixpk= 183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1064,1608,1609, 908,
 igr2=1071,1072,1588,1589, 900, 901,
 &end
#
#    0 AMB  20-2:184      0 AMB  20-1:184    6.00    (#    184:20  Double Ambig)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1011,1012,1303,
 igr2= 929, 930,1310,1311,
 &end
#
#    0 AMB  20-2:185     42 ILE  HA          6.00    (#    185:20  Single Ambig)
 &rst
  ixpk= 185, nxpk= 20, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 670, 711,
 &end
#
#   42 ILE  HN           42 ILE  HA          4.50    (#    186:20  Unique         2.82, 2.85 A)
 &rst
  ixpk= 186, nxpk= 20, iat= 651, 653, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   53 VAL  HN           53 VAL  HB          4.50    (#    187:20  Unique         2.39, 2.54 A)
 &rst
  ixpk= 187, nxpk= 20, iat= 825, 829, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 PHE  HD           53 VAL  HB          4.50    (#    188:20  Unique         2.20, 3.92 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1, 829, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 365, 373,
 &end
#
#  100 GLN  HE2+        100 GLN  HG+         3.50    (#    189:20  Unique         2.28, 3.42 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1576,1577,
 igr2=1571,1572,
 &end
#
#  100 GLN  HE2+        100 GLN  HG-         6.00    (#    190:20  Unique         2.28, 3.42 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1576,1577,
 igr2=1571,1572,
 &end
#
#   41 GLN  HN           41 GLN  HG+         4.50    (#    191:20  Unique         2.48, 4.09 A)
 &rst
  ixpk= 191, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   41 GLN  HN           41 GLN  HG-         6.00    (#    192:20  Unique         2.48, 4.09 A)
 &rst
  ixpk= 192, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 641, 642,
 &end
#
#   32 GLN  HN            0 AMB  20-1:193    4.50    (#    193:20  Single Ambig)
 &rst
  ixpk= 193, nxpk= 20, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 512, 513, 512, 513,
 &end
#
#  102 GLN  HN          102 GLN  HG+         4.50    (#    194:20  Unique         2.37, 3.45 A)
 &rst
  ixpk= 194, nxpk= 20, iat=1596,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1603,1604,
 &end
#
#  102 GLN  HE2-        102 GLN  HG+         4.50    (#    195:20  Unique         2.20, 3.40 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1608,1609,
 igr2=1603,1604,
 &end
#
#   38 THR  HN            0 AMB  20-1:196    6.00    (#    196:20  Single Ambig)
 &rst
  ixpk= 196, nxpk= 20, iat= 588,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2= 578, 579, 578, 579,
 &end
#
#   63 GLN  HN            0 AMB  20-1:197    3.50    (#    197:20  Single Ambig)
 &rst
  ixpk= 197, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1006,1007,1006,1007,
 &end
#
#   82 GLU  HN           82 GLU  HB+         6.00    (#    198:20  Unique         2.54, 3.15 A)
 &rst
  ixpk= 198, nxpk= 20, iat=1303,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1307,1308,
 &end
#
#   83 PHE  HN           82 GLU  HB+         6.00    (#    199:20  Unique         2.57, 3.63 A)
 &rst
  ixpk= 199, nxpk= 20, iat=1318,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1307,1308,
 &end
#
#   28 LYS  HN           28 LYS  HB+         6.00    (#    200:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 200, nxpk= 20, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 441, 442,
 &end
#
#   28 LYS  HN           28 LYS  HB-         6.00    (#    201:20  Unique         2.25, 2.70 A)
 &rst
  ixpk= 201, nxpk= 20, iat= 437,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 441, 442,
 &end
#
#   71 TRP  HZ2           0 AMB  20-1:202    6.00    (#    202:20  Single Ambig)
 &rst
  ixpk= 202, nxpk= 20, iat=1135,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1212,1213,1212,1213,
 &end
#
#    0 AMB  20-2:203      0 AMB  20-1:203    6.00    (#    203:20  Double Ambig)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1=1182,1190, 365, 373,
 igr2=1212,1213,1212,1213,1212,1213,
 &end
#
#    8 LYS  HN            8 LYS  HB-         4.50    (#    204:20  Unique         2.30, 2.94 A)
 &rst
  ixpk= 204, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 111, 112,
 &end
#
#   25 LYS  HN           25 LYS  HB-         4.50    (#    205:20  Unique         2.31, 2.96 A)
 &rst
  ixpk= 205, nxpk= 20, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 398, 399,
 &end
#
#   66 LYS  HN           66 LYS  HB-         4.50    (#    206:20  Unique         2.34, 2.86 A)
 &rst
  ixpk= 206, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   95 LYS  HN            0 AMB  20-1:207    4.50    (#    207:20  Single Ambig)
 &rst
  ixpk= 207, nxpk= 20, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1494,1495,1494,1495,
 &end
#
#    0 AMB  20-2:208      0 AMB  20-1:208    2.80    (#    208:20  Double Ambig)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 505, 689,
 igr2= 498, 499, 693, 694, 693, 694,
 &end
#
#  105 LYS  HN            0 AMB  20-1:209    2.80    (#    209:20  Single Ambig)
 &rst
  ixpk= 209, nxpk= 20, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1648,1649,1648,1649,
 &end
#
#    9 THR  HN            8 LYS  HB+         6.00    (#    210:20  Unique         2.58, 3.21 A)
 &rst
  ixpk= 210, nxpk= 20, iat= 129,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 111, 112,
 &end
#
#    8 LYS  HN            8 LYS  HB+         4.50    (#    211:20  Unique         2.30, 2.94 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 111, 112,
 &end
#
#   66 LYS  HN           66 LYS  HB+         4.50    (#    212:20  Unique         2.34, 2.86 A)
 &rst
  ixpk= 212, nxpk= 20, iat=1042,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#  107 MET  HN            0 AMB  20-1:213    6.00    (#    213:20  Single Ambig)
 &rst
  ixpk= 213, nxpk= 20, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1680,1681,1683,1684,
 &end
#
#  107 MET  HN          107 MET  HB+         3.50    (#    214:20  Unique         2.24, 2.98 A)
 &rst
  ixpk= 214, nxpk= 20, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1680,1681,
 &end
#
#  107 MET  HN          107 MET  HG-         6.00    (#    215:20  Unique         2.34, 3.16 A)
 &rst
  ixpk= 215, nxpk= 20, iat=1676,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1683,1684,
 &end
#
#   92 GLU  HN           91 VAL  HB          3.50    (#    216:20  Unique         2.65, 2.79 A)
 &rst
  ixpk= 216, nxpk= 20, iat=1444,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  HN           91 VAL  HB          3.50    (#    217:20  Unique         2.33, 2.42 A)
 &rst
  ixpk= 217, nxpk= 20, iat=1428,1432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 HIS  HD2          14 VAL  HB          6.00    (#    218:20  Unique         2.33, 6.51 A)
 &rst
  ixpk= 218, nxpk= 20, iat= 280, 214, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   15 VAL  HN           14 VAL  HB          6.00    (#    219:20  Unique         2.55, 3.21 A)
 &rst
  ixpk= 219, nxpk= 20, iat= 226, 214, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  HN           14 VAL  HB          3.50    (#    220:20  Unique         2.32, 2.96 A)
 &rst
  ixpk= 220, nxpk= 20, iat= 210, 214, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LYS  HN            0 AMB  20-1:221    2.80    (#    221:20  Single Ambig)
 &rst
  ixpk= 221, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 192, 193, 192, 193,
 &end
#
#   51 GLU  HN           51 GLU  HB+         6.00    (#    222:20  Unique         2.46, 2.96 A)
 &rst
  ixpk= 222, nxpk= 20, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 803, 804,
 &end
#
#   50 PHE  HN           49 PRO  HB+         8.00    (#    223:20  Unique         2.21, 3.48 A)
 &rst
  ixpk= 223, nxpk= 20, iat= 779,  -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
 igr2= 772, 773,
 &end
#
#   40 VAL  HN           40 VAL  HB          3.50    (#    224:20  Unique         2.28, 3.07 A)
 &rst
  ixpk= 224, nxpk= 20, iat= 618, 622, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 VAL  HN          103 VAL  HB          2.80    (#    225:20  Unique         2.34, 2.40 A)
 &rst
  ixpk= 225, nxpk= 20, iat=1613,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 GLU  HN          103 VAL  HB          2.80    (#    226:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 226, nxpk= 20, iat=1629,1617, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   51 GLU  HN           51 GLU  HB-         6.00    (#    227:20  Unique         2.46, 2.96 A)
 &rst
  ixpk= 227, nxpk= 20, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 803, 804,
 &end
#
#   39 VAL  HN           39 VAL  HB          4.50    (#    228:20  Unique         2.31, 2.55 A)
 &rst
  ixpk= 228, nxpk= 20, iat= 602, 606, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   62 ARG  HN            0 AMB  20-1:229    2.80    (#    229:20  Single Ambig)
 &rst
  ixpk= 229, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 979, 980, 979, 980,
 &end
#
#   98 GLU  HN            0 AMB  20-1:230    2.80    (#    230:20  Single Ambig)
 &rst
  ixpk= 230, nxpk= 20, iat=1530,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1534,1535,1534,1535,
 &end
#
#   57 GLU  HN           57 GLU  HB-         6.00    (#    231:20  Unique         2.24, 2.79 A)
 &rst
  ixpk= 231, nxpk= 20, iat= 893,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 897, 898,
 &end
#
#   67 GLU  HN            0 AMB  20-1:232    3.50    (#    232:20  Single Ambig)
 &rst
  ixpk= 232, nxpk= 20, iat=1064,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1068,1069,1068,1069,
 &end
#
#   32 GLN  HN           32 GLN  HB-         6.00    (#    233:20  Unique         2.35, 3.21 A)
 &rst
  ixpk= 233, nxpk= 20, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 509, 510,
 &end
#
#  102 GLN  HN            0 AMB  20-1:234    4.50    (#    234:20  Single Ambig)
 &rst
  ixpk= 234, nxpk= 20, iat=1596,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1585,1586,1585,1586,
 &end
#
#  101 GLU  HN            0 AMB  20-1:235    3.50    (#    235:20  Single Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1585,1586,1585,1586,
 &end
#
#   89 ILE  HN           89 ILE  HG1-        6.00    (#    236:20  Unique         2.06, 3.35 A)
 &rst
  ixpk= 236, nxpk= 20, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1405,1406,
 &end
#
#    0 AMB  20-2:237      0 AMB  20-1:237    6.00    (#    237:20  Double Ambig)
 &rst
  ixpk= 237, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 789, 793, 787, 795,
 igr2= 447, 448, 447, 448,
 &end
#
#   92 GLU  HN            0 AMB  20-1:238    2.80    (#    238:20  Single Ambig)
 &rst
  ixpk= 238, nxpk= 20, iat=1444,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1448,1449,1448,1449,
 &end
#
#   42 ILE  HN           42 ILE  HG1-        6.00    (#    239:20  Unique         2.37, 3.18 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 661, 662,
 &end
#
#  104 GLU  HN          104 GLU  HB+         2.80    (#    240:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 240, nxpk= 20, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1633,1634,
 &end
#
#   93 ALA  HN            0 AMB  20-1:241    4.50    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=1459,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1448,1449,1448,1449,
 &end
#
#  104 GLU  HN          104 GLU  HB-         3.50    (#    242:20  Unique         2.31, 2.60 A)
 &rst
  ixpk= 242, nxpk= 20, iat=1629,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1633,1634,
 &end
#
#  105 LYS  HN          104 GLU  HB-         4.50    (#    243:20  Unique         2.51, 3.21 A)
 &rst
  ixpk= 243, nxpk= 20, iat=1644,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1633,1634,
 &end
#
#   37 GLN  HN           37 GLN  HB+         4.50    (#    244:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 244, nxpk= 20, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 575, 576,
 &end
#
#   37 GLN  HN           37 GLN  HB-         4.50    (#    245:20  Unique         2.33, 2.59 A)
 &rst
  ixpk= 245, nxpk= 20, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 575, 576,
 &end
#
#    0 AMB  20-2:246     83 PHE  HA          2.80    (#    246:20  Single Ambig)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,1320, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1338,1318,
 &end
#
#   83 PHE  HD           83 PHE  HA          4.50    (#    247:20  Unique         2.35, 4.12 A)
 &rst
  ixpk= 247, nxpk= 20, iat=  -1,1320, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1326,1334,
 &end
#
#   63 GLN  HN            0 AMB  20-1:248    4.50    (#    248:20  Single Ambig)
 &rst
  ixpk= 248, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  20-2:249     22 LEU  HG          4.50    (#    249:20  Single Ambig)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1, 345, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 787, 795, 789, 793,
 &end
#
#   94 TYR  HD           99 LEU  MDX         4.50    (#    250:20  Unique         2.30, 6.18 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1477,1486,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:251      0 AMB  20-1:251    4.50    (#    251:20  Double Ambig)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1693,1704,
 igr2=1697,1698,1697,1698,1697,1698,
 &end
#
#   41 GLN  HN           41 GLN  HB+         3.50    (#    252:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 252, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 638, 639,
 &end
#
#   42 ILE  HN           41 GLN  HB+         6.00    (#    253:20  Unique         2.53, 3.29 A)
 &rst
  ixpk= 253, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 638, 639,
 &end
#
#   41 GLN  HN           41 GLN  HB-         2.80    (#    254:20  Unique         2.32, 2.63 A)
 &rst
  ixpk= 254, nxpk= 20, iat= 634,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 638, 639,
 &end
#
#  103 VAL  HN            0 AMB  20-1:255    4.50    (#    255:20  Single Ambig)
 &rst
  ixpk= 255, nxpk= 20, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1600,1601,1600,1601,
 &end
#
#  102 GLN  HN            0 AMB  20-1:256    2.80    (#    256:20  Single Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=1596,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1600,1601,1600,1601,
 &end
#
#  103 VAL  HN            0 AMB  20-1:257    4.50    (#    257:20  Single Ambig)
 &rst
  ixpk= 257, nxpk= 20, iat=1613,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1600,1601,1600,1601,
 &end
#
#   65 LEU  HN           65 LEU  HG          6.00    (#    258:20  Unique         2.41, 3.97 A)
 &rst
  ixpk= 258, nxpk= 20, iat=1023,1030, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   42 ILE  HN           41 GLN  HB-         6.00    (#    259:20  Unique         2.53, 3.29 A)
 &rst
  ixpk= 259, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 638, 639,
 &end
#
#  101 GLU  HN          100 GLN  HB-         4.50    (#    260:20  Unique         2.42, 3.18 A)
 &rst
  ixpk= 260, nxpk= 20, iat=1581,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#   61 LEU  HN           61 LEU  HG          6.00    (#    262:20  Unique         2.40, 3.57 A)
 &rst
  ixpk= 262, nxpk= 20, iat= 956, 963, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   84 PHE  HD           77 LEU  MDX         6.00    (#    263:20  Unique         2.38, 5.48 A)
 &rst
  ixpk= 263, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1346,1354,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   88 ASP  HN           87 CYS  HB+         6.00    (#    264:20  Unique         2.62, 3.38 A)
 &rst
  ixpk= 264, nxpk= 20, iat=1383,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1376,1377,
 &end
#
#   60 LEU  HN           60 LEU  HG          4.50    (#    265:20  Unique         2.11, 3.07 A)
 &rst
  ixpk= 265, nxpk= 20, iat= 937, 944, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:266      0 AMB  20-1:266    4.50    (#    266:20  Double Ambig)
 &rst
  ixpk= 266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 357,1208,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#   78 TYR  HN           77 LEU  HG          4.50    (#    267:20  Unique         2.41, 3.24 A)
 &rst
  ixpk= 267, nxpk= 20, iat=1244,1232, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 TYR  HN           78 TYR  HB+         4.50    (#    268:20  Unique         2.37, 2.85 A)
 &rst
  ixpk= 268, nxpk= 20, iat=1244,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1248,1249,
 &end
#
#    0 AMB  20-2:269     23 PHE  HB-         4.50    (#    269:20  Single Ambig)
 &rst
  ixpk= 269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 357,1208, 377,
 igr2= 361, 362,
 &end
#
#  100 GLN  HN          100 GLN  HB+         4.50    (#    270:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 270, nxpk= 20, iat=1564,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  100 GLN  HN          100 GLN  HB-         4.50    (#    271:20  Unique         2.40, 2.74 A)
 &rst
  ixpk= 271, nxpk= 20, iat=1564,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#   57 GLU  HN           57 GLU  HA          4.50    (#    272:20  Unique         2.22, 2.78 A)
 &rst
  ixpk= 272, nxpk= 20, iat= 893, 895, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 MET  HN          107 MET  HA          3.50    (#    273:20  Unique         2.86, 2.91 A)
 &rst
  ixpk= 273, nxpk= 20, iat=1676,1678, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:274    107 MET  HA          6.00    (#    274:20  Single Ambig)
 &rst
  ixpk= 274, nxpk= 20, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1693,1704,
 &end
#
#   56 LEU  HN           56 LEU  HA          6.00    (#    275:20  Unique         2.24, 2.89 A)
 &rst
  ixpk= 275, nxpk= 20, iat= 874, 876, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   33 CYS  HN           32 GLN  HA          6.00    (#    276:20  Unique         2.13, 2.53 A)
 &rst
  ixpk= 276, nxpk= 20, iat= 522, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   32 GLN  HN           32 GLN  HA          6.00    (#    277:20  Unique         2.25, 2.88 A)
 &rst
  ixpk= 277, nxpk= 20, iat= 505, 507, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:278      0 AMB  20-1:278    4.50    (#    278:20  Double Ambig)
 &rst
  ixpk= 278, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 267,1252,1261,
 igr2= 269,1286,
 &end
#
#    4 THR  HN            3 LEU  HA          3.50    (#    279:20  Unique         2.18, 2.94 A)
 &rst
  ixpk= 279, nxpk= 20, iat=  50,  33, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 LEU  HN           46 LEU  HA          4.50    (#    280:20  Unique         2.82, 2.84 A)
 &rst
  ixpk= 280, nxpk= 20, iat= 722, 724, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 GLY  HN           80 ASP  HA          4.50    (#    281:20  Unique         2.16, 3.04 A)
 &rst
  ixpk= 281, nxpk= 20, iat=1296,1286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:282     47 ASN  HA          2.80    (#    282:20  Single Ambig)
 &rst
  ixpk= 282, nxpk= 20, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 755, 750, 751,
 &end
#
#   47 ASN  HN           47 ASN  HA          2.80    (#    283:20  Unique         2.29, 2.36 A)
 &rst
  ixpk= 283, nxpk= 20, iat= 741, 743, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  106 ALA  HN          106 ALA  HA          4.50    (#    284:20  Unique         2.85, 2.86 A)
 &rst
  ixpk= 284, nxpk= 20, iat=1666,1668, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   52 SER  HN           51 GLU  HA          2.80    (#    285:20  Unique         2.15, 2.32 A)
 &rst
  ixpk= 285, nxpk= 20, iat= 814, 801, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 GLY  HN           64 GLY  HA+         4.50    (#    286:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 286, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1018,1019,
 &end
#
#   81 GLY  HN           81 GLY  HA+         4.50    (#    287:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 287, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1298,1299,
 &end
#
#   97 GLY  HN           97 GLY  HA-         3.50    (#    288:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 288, nxpk= 20, iat=1523,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1525,1526,
 &end
#
#   97 GLY  HN           97 GLY  HA+         4.50    (#    289:20  Unique         2.34, 2.66 A)
 &rst
  ixpk= 289, nxpk= 20, iat=1523,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1525,1526,
 &end
#
#   98 GLU  HN           97 GLY  HA+         4.50    (#    290:20  Unique         3.23, 3.30 A)
 &rst
  ixpk= 290, nxpk= 20, iat=1530,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1525,1526,
 &end
#
#    0 AMB  20-2:291      0 AMB  20-1:291    4.50    (#    291:20  Double Ambig)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 423, 479, 487,
 igr2= 418, 419, 418, 419,
 &end
#
#   26 GLY  HN           26 GLY  HA-         4.50    (#    292:20  Unique         2.29, 2.73 A)
 &rst
  ixpk= 292, nxpk= 20, iat= 416,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 418, 419,
 &end
#
#    0 AMB  20-2:293     26 GLY  HA-         4.50    (#    293:20  Single Ambig)
 &rst
  ixpk= 293, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 423, 479, 487,
 igr2= 418, 419,
 &end
#
#   32 GLN  HN           26 GLY  HA+         4.50    (#    294:20  Unique         3.35, 5.08 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 418, 419,
 &end
#
#   74 PHE  HN           73 THR  HB          4.50    (#    295:20  Unique         2.09, 3.28 A)
 &rst
  ixpk= 295, nxpk= 20, iat=1174,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 LYS  HN           27 THR  HB          3.50    (#    296:20  Unique         1.94, 2.45 A)
 &rst
  ixpk= 296, nxpk= 20, iat= 437, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 THR  HN           90 THR  HA          4.50    (#    297:20  Unique         2.86, 2.87 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1414,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 PHE  HZ           90 THR  HA          4.50    (#    298:20  Unique         3.62, 4.28 A)
 &rst
  ixpk= 298, nxpk= 20, iat=1350,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 THR  HN           38 THR  HB          3.50    (#    299:20  Unique         2.49, 2.65 A)
 &rst
  ixpk= 299, nxpk= 20, iat= 588, 592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 VAL  HN           38 THR  HB          4.50    (#    300:20  Unique         2.39, 2.51 A)
 &rst
  ixpk= 300, nxpk= 20, iat= 602, 592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 THR  HN           10 THR  HB          3.50    (#    301:20  Unique         2.45, 2.53 A)
 &rst
  ixpk= 301, nxpk= 20, iat= 143, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 LEU  HN           10 THR  HB          4.50    (#    302:20  Unique         2.37, 2.50 A)
 &rst
  ixpk= 302, nxpk= 20, iat= 157, 147, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 THR  HN            9 THR  HB          3.50    (#    303:20  Unique         2.24, 2.44 A)
 &rst
  ixpk= 303, nxpk= 20, iat= 129, 133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 THR  HN            9 THR  HB          4.50    (#    304:20  Unique         2.45, 2.64 A)
 &rst
  ixpk= 304, nxpk= 20, iat= 143, 133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  HN           90 THR  HB          6.00    (#    305:20  Unique         2.53, 2.60 A)
 &rst
  ixpk= 305, nxpk= 20, iat=1428,1418, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   90 THR  HN           90 THR  HB          4.50    (#    306:20  Unique         2.54, 2.59 A)
 &rst
  ixpk= 306, nxpk= 20, iat=1414,1418, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   10 THR  HN           10 THR  HA          4.50    (#    307:20  Unique         2.86, 2.89 A)
 &rst
  ixpk= 307, nxpk= 20, iat= 143, 145, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   38 THR  HN           38 THR  HA          2.80    (#    308:20  Unique         2.80, 2.83 A)
 &rst
  ixpk= 308, nxpk= 20, iat= 588, 590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 VAL  HN           14 VAL  HA          3.50    (#    309:20  Unique         2.83, 2.84 A)
 &rst
  ixpk= 309, nxpk= 20, iat= 210, 212, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 THR  HN            9 THR  HA          4.50    (#    310:20  Unique         2.78, 2.82 A)
 &rst
  ixpk= 310, nxpk= 20, iat= 129, 131, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:311      0 AMB  20-1:311    4.50    (#    311:20  Double Ambig)
 &rst
  ixpk= 311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 814, 825,
 igr2= 818, 819, 818, 819,
 &end
#
#    0 AMB  20-2:312      0 AMB  20-1:312    4.50    (#    312:20  Double Ambig)
 &rst
  ixpk= 312, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 789, 793, 787, 795,
 igr2= 818, 819, 818, 819,
 &end
#
#   15 VAL  HN           15 VAL  HA          6.00    (#    313:20  Unique         2.80, 2.85 A)
 &rst
  ixpk= 313, nxpk= 20, iat= 226, 228, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  109 SER  HN            0 AMB  20-1:314    4.50    (#    314:20  Single Ambig)
 &rst
  ixpk= 314, nxpk= 20, iat=1704,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1708,1709,1708,1709,
 &end
#
#   96 SER  HN           96 SER  HB+         6.00    (#    315:20  Unique         2.51, 3.10 A)
 &rst
  ixpk= 315, nxpk= 20, iat=1512,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1516,1517,
 &end
#
#   96 SER  HN           96 SER  HB-         4.50    (#    316:20  Unique         2.51, 3.10 A)
 &rst
  ixpk= 316, nxpk= 20, iat=1512,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1516,1517,
 &end
#
#   17 SER  HN           17 SER  HB+         6.00    (#    317:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 317, nxpk= 20, iat= 256,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 260, 261,
 &end
#
#   32 GLN  HN           31 PRO  HA          3.50    (#    318:20  Unique         2.27, 2.51 A)
 &rst
  ixpk= 318, nxpk= 20, iat= 505, 501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   45 SER  HN           45 SER  HB-         4.50    (#    319:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 319, nxpk= 20, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 715, 716,
 &end
#
#   45 SER  HN           45 SER  HB+         4.50    (#    320:20  Unique         2.38, 3.07 A)
 &rst
  ixpk= 320, nxpk= 20, iat= 711,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 715, 716,
 &end
#
#    0 AMB  20-2:321     49 PRO  HA          6.00    (#    321:20  Single Ambig)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 787, 795, 789, 793,
 &end
#
#   50 PHE  HN           49 PRO  HA          2.80    (#    322:20  Unique         2.19, 2.43 A)
 &rst
  ixpk= 322, nxpk= 20, iat= 779, 775, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   55 ILE  HN           55 ILE  HA          6.00    (#    323:20  Unique         2.85, 2.92 A)
 &rst
  ixpk= 323, nxpk= 20, iat= 855, 857, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   45 SER  HN           45 SER  HA          3.50    (#    324:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 324, nxpk= 20, iat= 711, 713, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 TYR  HN           68 TYR  HA          4.50    (#    325:20  Unique         2.81, 2.84 A)
 &rst
  ixpk= 325, nxpk= 20, iat=1079,1081, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 SER  HN            0 AMB  20-1:326    6.00    (#    326:20  Single Ambig)
 &rst
  ixpk= 326, nxpk= 20, iat=1111,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1115,1116,1081,
 &end
#
#   68 TYR  HD           68 TYR  HA          4.50    (#    327:20  Unique         2.45, 3.55 A)
 &rst
  ixpk= 327, nxpk= 20, iat=  -1,1081, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1087,1096,
 &end
#
#    0 AMB  20-2:328     53 VAL  HA          2.80    (#    328:20  Single Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 841, 825,
 &end
#
#   17 SER  HN           17 SER  HA          4.50    (#    329:20  Unique         2.86, 2.90 A)
 &rst
  ixpk= 329, nxpk= 20, iat= 256, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  109 SER  HN          109 SER  HA          4.50    (#    330:20  Unique         2.20, 2.29 A)
 &rst
  ixpk= 330, nxpk= 20, iat=1704,1706, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   45 SER  HN           44 LYS  HA          6.00    (#    331:20  Unique         3.56, 3.58 A)
 &rst
  ixpk= 331, nxpk= 20, iat= 711, 691, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   44 LYS  HN           44 LYS  HA          4.50    (#    332:20  Unique         2.79, 2.80 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 689, 691, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   50 PHE  HE           44 LYS  HA          4.50    (#    333:20  Unique         3.78, 6.25 A)
 &rst
  ixpk= 333, nxpk= 20, iat=  -1, 691, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 789, 793,
 &end
#
#  104 GLU  HN          104 GLU  HA          3.50    (#    334:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 334, nxpk= 20, iat=1629,1631, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 LYS  HN          104 GLU  HA          6.00    (#    335:20  Unique         3.61, 3.63 A)
 &rst
  ixpk= 335, nxpk= 20, iat=1644,1631, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   94 TYR  HD           94 TYR  HA          4.50    (#    336:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 336, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1477,1486,
 &end
#
#    0 AMB  20-2:337      0 AMB  20-1:337    4.50    (#    337:20  Double Ambig)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1=1174, 505, 571,
 igr2=1162, 564, 565, 564, 565, 564, 565,
 &end
#
#    0 AMB  20-2:338     84 PHE  HA          4.50    (#    338:20  Single Ambig)
 &rst
  ixpk= 338, nxpk= 20, iat=  -1,1340, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1346,1354,1608,1609,
 &end
#
#  101 GLU  HN          101 GLU  HA          3.50    (#    339:20  Unique         2.80, 2.82 A)
 &rst
  ixpk= 339, nxpk= 20, iat=1581,1583, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:340    108 CYS  HA          4.50    (#    340:20  Single Ambig)
 &rst
  ixpk= 340, nxpk= 20, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1693,1704,
 &end
#
#   96 SER  HN           96 SER  HA          4.50    (#    341:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 341, nxpk= 20, iat=1512,1514, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:342      0 AMB  20-1:342    6.00    (#    342:20  Double Ambig)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1523,1130,
 igr2=1514,1162,
 &end
#
#    0 AMB  20-2:343      0 AMB  20-1:343    2.80    (#    343:20  Double Ambig)
 &rst
  ixpk= 343, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1644,1011,1012,
 igr2=1646, 924,1583,
 &end
#
#   13 LYS  HN           13 LYS  HA          4.50    (#    344:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 344, nxpk= 20, iat= 188, 190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 GLN  HN           41 GLN  HA          3.50    (#    345:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 345, nxpk= 20, iat= 634, 636, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 LYS  HN           95 LYS  HA          3.50    (#    346:20  Unique         2.87, 2.90 A)
 &rst
  ixpk= 346, nxpk= 20, iat=1490,1492, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 LYS  HN           66 LYS  HA          6.00    (#    347:20  Unique         2.27, 2.84 A)
 &rst
  ixpk= 347, nxpk= 20, iat=1042,1044, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   98 GLU  HN           98 GLU  HA          4.50    (#    348:20  Unique         2.89, 2.91 A)
 &rst
  ixpk= 348, nxpk= 20, iat=1530,1532, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          102 GLN  HA          2.80    (#    349:20  Unique         2.84, 2.87 A)
 &rst
  ixpk= 349, nxpk= 20, iat=1596,1598, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   42 ILE  HN           41 GLN  HA          6.00    (#    350:20  Unique         3.58, 3.59 A)
 &rst
  ixpk= 350, nxpk= 20, iat= 651, 636, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   70 SER  HN           70 SER  HA          3.50    (#    351:20  Unique         2.23, 2.30 A)
 &rst
  ixpk= 351, nxpk= 20, iat=1111,1113, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   71 TRP  HN           70 SER  HA          4.50    (#    352:20  Unique         3.25, 3.44 A)
 &rst
  ixpk= 352, nxpk= 20, iat=1122,1113, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   67 GLU  HN           67 GLU  HA          4.50    (#    353:20  Unique         2.85, 2.91 A)
 &rst
  ixpk= 353, nxpk= 20, iat=1064,1066, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLN  HN           60 LEU  HA          4.50    (#    354:20  Unique         3.39, 3.76 A)
 &rst
  ixpk= 354, nxpk= 20, iat= 999, 939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   68 TYR  HN           65 LEU  HA          6.00    (#    355:20  Unique         2.87, 3.22 A)
 &rst
  ixpk= 355, nxpk= 20, iat=1079,1025, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   65 LEU  HN           65 LEU  HA          6.00    (#    356:20  Unique         2.79, 2.86 A)
 &rst
  ixpk= 356, nxpk= 20, iat=1023,1025, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   63 GLN  HN           63 GLN  HA          4.50    (#    357:20  Unique         2.89, 2.98 A)
 &rst
  ixpk= 357, nxpk= 20, iat= 999,1001, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 ASP  HN           12 ASP  HA          4.50    (#    358:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 358, nxpk= 20, iat= 176, 178, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   69 SER  HN           69 SER  HA          4.50    (#    359:20  Unique         2.92, 2.95 A)
 &rst
  ixpk= 359, nxpk= 20, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 LEU  HN            7 LEU  HA          4.50    (#    360:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 360, nxpk= 20, iat=  88,  90, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 GLY  HN           25 LYS  HA          4.50    (#    361:20  Unique         2.83, 3.31 A)
 &rst
  ixpk= 361, nxpk= 20, iat= 416, 396, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 LEU  HG           11 LEU  HG          6.00    (#    362:20  Unique         2.86, 4.32 A)
 &rst
  ixpk= 362, nxpk= 20, iat=  95, 164, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   72 PRO  HD-          72 PRO  HG-         6.00    (#    363:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#   99 LEU  HB+          99 LEU  HG          4.50    (#    364:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 364, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1549,1550,
 &end
#
#    0 AMB  20-2:365     99 LEU  HG          3.50    (#    365:20  Single Ambig)
 &rst
  ixpk= 365, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1554,1555,1556,1558,1559,1560,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   99 LEU  MDY          99 LEU  HG          4.50    (#    366:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 366, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#   46 LEU  MDY          46 LEU  HG          4.50    (#    367:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 367, nxpk= 20, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#   72 PRO  HD+          72 PRO  HG+         4.50    (#    368:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 368, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#   73 THR  MG2          72 PRO  HG+         4.50    (#    370:20  Unique         2.49, 5.33 A)
 &rst
  ixpk= 370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1166,1167,1168,
 igr2=1150,1151,
 &end
#
#   72 PRO  HD-          72 PRO  HG+         4.50    (#    371:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#   72 PRO  HB-          72 PRO  HG+         4.50    (#    372:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#   11 LEU  MDY          11 LEU  HG          4.50    (#    374:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1, 164, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#    0 AMB  20-2:375     11 LEU  HG          4.50    (#    375:20  Single Ambig)
 &rst
  ixpk= 375, nxpk= 20, iat=  -1, 164, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 &end
#
#   72 PRO  HB+          72 PRO  HG-         6.00    (#    376:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 376, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#   73 THR  MG2          72 PRO  HG-         4.50    (#    378:20  Unique         2.49, 5.33 A)
 &rst
  ixpk= 378, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1166,1167,1168,
 igr2=1150,1151,
 &end
#
#    0 AMB  20-2:379     99 LEU  HG          6.00    (#    379:20  Single Ambig)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1547,1566,
 &end
#
#    0 AMB  20-2:380     46 LEU  HG          3.50    (#    380:20  Single Ambig)
 &rst
  ixpk= 380, nxpk= 20, iat=  -1, 729, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 731, 732, 733, 735, 736, 737,1619,1620,1621,1623,
      1624,1625,
 &end
#
#   44 LYS  HA           44 LYS  HG+         4.50    (#    381:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 381, nxpk= 20, iat= 691,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 696, 697,
 &end
#
#    0 AMB  20-2:382      0 AMB  20-1:382    2.80    (#    382:20  Double Ambig)
 &rst
  ixpk= 382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 699, 700, 699, 700,
 igr2= 696, 697, 696, 697,
 &end
#
#   44 LYS  HA           44 LYS  HG-         3.50    (#    384:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 384, nxpk= 20, iat= 691,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 696, 697,
 &end
#
#    7 LEU  HA            7 LEU  HG          4.50    (#    385:20  Unique         2.49, 3.34 A)
 &rst
  ixpk= 385, nxpk= 20, iat=  90,  95, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:386      7 LEU  HG          6.00    (#    386:20  Single Ambig)
 &rst
  ixpk= 386, nxpk= 20, iat=  -1,  95, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1018,1019, 958,
 &end
#
#   64 GLY  HA-           7 LEU  HG          6.00    (#    387:20  Unique         2.12, 5.23 A)
 &rst
  ixpk= 387, nxpk= 20, iat=  -1,  95, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1018,1019,
 &end
#
#    0 AMB  20-2:388      7 LEU  HG          2.80    (#    388:20  Single Ambig)
 &rst
  ixpk= 388, nxpk= 20, iat=  -1,  95, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  92,  93,  35,  36,
 &end
#
#    0 AMB  20-2:389      7 LEU  HG          2.80    (#    389:20  Single Ambig)
 &rst
  ixpk= 389, nxpk= 20, iat=  -1,  95, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  92,  93,  35,  36,
 &end
#
#    0 AMB  20-2:390     46 LEU  MDX         2.80    (#    390:20  Single Ambig)
 &rst
  ixpk= 390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1568,1569, 729,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    8 LYS  HE+           8 LYS  HG+         4.50    (#    391:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 391, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 120, 121,
 igr2= 114, 115,
 &end
#
#    8 LYS  HD+           8 LYS  HG+         2.80    (#    392:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 392, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 114, 115,
 &end
#
#    8 LYS  HD+           8 LYS  HG+         2.80    (#    393:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 114, 115,
 &end
#
#    8 LYS  HA            8 LYS  HG+         6.00    (#    394:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 394, nxpk= 20, iat= 109,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 114, 115,
 &end
#
#    8 LYS  HE+           8 LYS  HG+         4.50    (#    395:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 120, 121,
 igr2= 114, 115,
 &end
#
#   43 LEU  MDX          43 LEU  HG          3.50    (#    396:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 396, nxpk= 20, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   43 LEU  MDY          43 LEU  HG          4.50    (#    397:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 397, nxpk= 20, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   25 LYS  HE-          56 LEU  HG          6.00    (#    398:20  Unique         3.04, 5.54 A)
 &rst
  ixpk= 398, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 407, 408,
 &end
#
#   60 LEU  HB+          60 LEU  MDY         8.00    (#    399:20  Unique         2.37, 3.34 A)
 &rst
  ixpk= 399, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1= 941, 942,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:400     60 LEU  MDY         8.00    (#    400:20  Single Ambig)
 &rst
  ixpk= 400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.95, r4=13.70,
 igr1=  35,  36, 944,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#   46 LEU  HB-          46 LEU  MDX         4.50    (#    402:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 402, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:403     46 LEU  MDX         4.50    (#    403:20  Single Ambig)
 &rst
  ixpk= 403, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1552,1549,1550, 759, 760, 761,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:404     46 LEU  MDX         4.50    (#    404:20  Single Ambig)
 &rst
  ixpk= 404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1566, 672,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   46 LEU  HB+          46 LEU  MDX         4.50    (#    405:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   43 LEU  MDY          46 LEU  MDX         4.50    (#    407:20  Unique         2.58, 7.65 A)
 &rst
  ixpk= 407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   42 ILE  QG2          46 LEU  MDX         4.50    (#    408:20  Unique         2.89, 5.98 A)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 657, 658, 659,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:409      0 AMB  20-1:409    4.50    (#    409:20  Double Ambig)
 &rst
  ixpk= 409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1027,1028,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#    0 AMB  20-2:411      0 AMB  20-1:411    8.00    (#    411:20  Double Ambig)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=17.91, r4=18.66,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2= 946, 947, 948, 950, 951, 952, 881,
 &end
#
#    2 ALA  HA           60 LEU  MDY         8.00    (#    412:20  Unique         2.51, 6.70 A)
 &rst
  ixpk= 412, nxpk= 20, iat=  23,  -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:413      0 AMB  20-1:413    6.00    (#    413:20  Double Ambig)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.19, r4=11.94,
 igr1= 985, 986, 985, 986,1003,1004,
 igr2= 881, 946, 947, 948, 950, 951, 952,
 &end
#
#   62 ARG  HG-          56 LEU  HG          6.00    (#    414:20  Unique         3.46, 6.03 A)
 &rst
  ixpk= 414, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 982, 983,
 &end
#
#    0 AMB  20-2:415     56 LEU  HG          2.80    (#    415:20  Single Ambig)
 &rst
  ixpk= 415, nxpk= 20, iat=  -1, 881, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 878, 879, 398, 399,
 &end
#
#    0 AMB  20-2:416      0 AMB  20-1:416    2.80    (#    416:20  Double Ambig)
 &rst
  ixpk= 416, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.88, r4= 5.63,
 igr1= 878, 879,  35,  36,
 igr2= 881, 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:417      0 AMB  20-1:417    4.50    (#    417:20  Double Ambig)
 &rst
  ixpk= 417, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1025, 857,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#    0 AMB  20-2:418      0 AMB  20-1:418    3.50    (#    418:20  Double Ambig)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.49, r4= 8.24,
 igr1= 361, 362,1083,1084,1083,1084,1083,1084,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#    0 AMB  20-2:419      0 AMB  20-1:419    3.50    (#    419:20  Double Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 859,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#   65 LEU  HG           65 LEU  MDY         2.80    (#    420:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 420, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   61 LEU  MDX           0 AMB  20-1:421    3.50    (#    421:20  Single Ambig)
 &rst
  ixpk= 421, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 965, 966, 967, 969, 970, 971,
 igr2=1032,1033,1034,1036,1037,1038, 166, 167, 168, 170,
       171, 172,
 &end
#
#    0 AMB  20-2:422     11 LEU  MDX         4.50    (#    422:20  Single Ambig)
 &rst
  ixpk= 422, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 159, 109,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   11 LEU  HG            0 AMB  20-1:423    2.80    (#    423:20  Single Ambig)
 &rst
  ixpk= 423, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:424     11 LEU  MDX         3.50    (#    424:20  Single Ambig)
 &rst
  ixpk= 424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.23, r4= 7.98,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   43 LEU  HG           43 LEU  MDX         3.50    (#    426:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 426, nxpk= 20, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:427     43 LEU  MDX         3.50    (#    427:20  Single Ambig)
 &rst
  ixpk= 427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 674, 675, 608, 609, 610, 612, 613, 614,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:428     43 LEU  MDX         2.80    (#    428:20  Single Ambig)
 &rst
  ixpk= 428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
       613, 614,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:429     43 LEU  MDX         2.80    (#    429:20  Single Ambig)
 &rst
  ixpk= 429, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
      1624,1625,1232, 731, 732, 733, 735, 736, 737,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#   95 LYS  HA           95 LYS  HG-         6.00    (#    433:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 433, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1497,1498,
 &end
#
#   95 LYS  HB-          95 LYS  HG-         2.80    (#    434:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 434, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1494,1495,
 igr2=1497,1498,
 &end
#
#   95 LYS  HB-          95 LYS  HG+         2.80    (#    436:20  Unique         2.38, 2.77 A)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1494,1495,
 igr2=1497,1498,
 &end
#
#   95 LYS  HA           95 LYS  HG+         4.50    (#    437:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 437, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1497,1498,
 &end
#
#    0 AMB  20-2:441      0 AMB  20-1:441    4.50    (#    441:20  Double Ambig)
 &rst
  ixpk= 441, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1503,1504,1503,1504,
 igr2=1497,1498,1497,1498,
 &end
#
#    0 AMB  20-2:442     40 VAL  MGX         4.50    (#    442:20  Single Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 573, 439,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#   40 VAL  HA           40 VAL  MGX         3.50    (#    443:20  Unique         2.39, 3.36 A)
 &rst
  ixpk= 443, nxpk= 20, iat= 620,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:444     40 VAL  MGX         2.80    (#    444:20  Single Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 622, 638, 639,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:445     40 VAL  MGX         4.50    (#    445:20  Single Ambig)
 &rst
  ixpk= 445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 498, 499, 495, 496, 342, 343,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:446     40 VAL  MGX         4.50    (#    446:20  Single Ambig)
 &rst
  ixpk= 446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1= 388, 389, 390, 699, 700, 699, 700,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:447     40 VAL  MGX         6.00    (#    447:20  Single Ambig)
 &rst
  ixpk= 447, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 444, 445, 447, 448, 447, 448,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:448     40 VAL  MGX         2.80    (#    448:20  Single Ambig)
 &rst
  ixpk= 448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 345, 608, 609, 610, 612, 613, 614, 342, 343,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:449      0 AMB  20-1:449    4.50    (#    449:20  Double Ambig)
 &rst
  ixpk= 449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1646,1598,
 igr2=1651,1652,1651,1652,
 &end
#
#  105 LYS  HE+         105 LYS  HG+         6.00    (#    450:20  Unique         2.39, 2.99 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1657,1658,
 igr2=1651,1652,
 &end
#
#    0 AMB  20-2:451      0 AMB  20-1:451    2.80    (#    451:20  Double Ambig)
 &rst
  ixpk= 451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1648,1649,1648,1649,
 igr2=1651,1652,1651,1652,
 &end
#
#    0 AMB  20-2:452      0 AMB  20-1:452    6.00    (#    452:20  Double Ambig)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.93, r4=13.68,
 igr1= 201, 202, 201, 202,1657,1658,1055,1056,1055,1056,
      
 igr2= 195, 196, 195, 196,1651,1652,1049,1050,1049,1050,
      
 &end
#
#    0 AMB  20-2:453      0 AMB  20-1:453    3.50    (#    453:20  Double Ambig)
 &rst
  ixpk= 453, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 192, 193, 192, 193,
 igr2= 195, 196, 195, 196,
 &end
#
#   19 LYS  HA           19 LYS  HG-         4.50    (#    454:20  Unique         2.26, 3.18 A)
 &rst
  ixpk= 454, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:455    105 LYS  HG-         4.50    (#    455:20  Single Ambig)
 &rst
  ixpk= 455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1646,1598,
 igr2=1651,1652,
 &end
#
#    0 AMB  20-2:456      0 AMB  20-1:456    6.00    (#    456:20  Double Ambig)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 201, 202, 201, 202,1055,1056,1055,1056,
 igr2= 195, 196,1049,1050,
 &end
#
#   13 LYS  HA           13 LYS  HG-         6.00    (#    457:20  Unique         2.32, 3.01 A)
 &rst
  ixpk= 457, nxpk= 20, iat= 190,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 195, 196,
 &end
#
#    0 AMB  20-2:458      0 AMB  20-1:458    3.50    (#    458:20  Double Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 192, 193, 192, 193,1153,1154,
 igr2= 195, 196,1049,1050,
 &end
#
#    0 AMB  20-2:459     40 VAL  MGX         4.50    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 495, 496, 638, 639,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:460      0 AMB  20-1:460    4.50    (#    460:20  Double Ambig)
 &rst
  ixpk= 460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.81, r4=11.56,
 igr1= 783, 784,1201,1202,1071,1072,1071,1072,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,  40,  41,  42,  44,  45,  46,  40,  41,
        42,  44,  45,  46,
 &end
#
#   22 LEU  HA            0 AMB  20-1:461    2.80    (#    461:20  Single Ambig)
 &rst
  ixpk= 461, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#    0 AMB  20-2:462      0 AMB  20-1:462    2.80    (#    462:20  Double Ambig)
 &rst
  ixpk= 462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.13, r4= 6.88,
 igr1= 404, 405,  56,  57,  58,
 igr2= 401, 402, 401, 402, 946, 947, 948, 950, 951, 952,
        40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#    0 AMB  20-2:463      0 AMB  20-1:463    3.50    (#    463:20  Double Ambig)
 &rst
  ixpk= 463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=  33, 396,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 401, 402, 401, 402,
 &end
#
#    8 LYS  HA            0 AMB  20-1:464    6.00    (#    464:20  Single Ambig)
 &rst
  ixpk= 464, nxpk= 20, iat= 109,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#    0 AMB  20-2:465      0 AMB  20-1:465    4.50    (#    465:20  Double Ambig)
 &rst
  ixpk= 465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.10, r4=10.85,
 igr1= 407, 408,1083,1084,1083,1084,1083,1084,
 igr2= 401, 402, 401, 402,  40,  41,  42,  44,  45,  46,
        40,  41,  42,  44,  45,  46,
 &end
#
#    0 AMB  20-2:466      0 AMB  20-1:466    2.80    (#    466:20  Double Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.54, r4= 7.29,
 igr1=  92,  93,  35,  36,  35,  36,  35,  36, 944,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:467      0 AMB  20-1:467    4.50    (#    467:20  Double Ambig)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.02, r4=11.77,
 igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#   61 LEU  HA           61 LEU  MDY         3.50    (#    468:20  Unique         2.16, 3.81 A)
 &rst
  ixpk= 468, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:469     61 LEU  MDY         2.80    (#    469:20  Single Ambig)
 &rst
  ixpk= 469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 960, 961, 960, 961,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#   65 LEU  HG           61 LEU  MDY         6.00    (#    470:20  Unique         2.31, 6.02 A)
 &rst
  ixpk= 470, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#   11 LEU  MDY          61 LEU  MDY         8.00    (#    471:20  Unique         2.49, 5.72 A)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:472     61 LEU  MDY         4.50    (#    472:20  Single Ambig)
 &rst
  ixpk= 472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:474      0 AMB  20-1:474    4.50    (#    474:20  Double Ambig)
 &rst
  ixpk= 474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1= 509, 510, 608, 609, 610, 612, 613, 614,
 igr2=1198,1199,1198,1199,
 &end
#
#    0 AMB  20-2:477      0 AMB  20-1:477    4.50    (#    477:20  Double Ambig)
 &rst
  ixpk= 477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 297, 298, 297, 298,
 igr2= 291, 292, 291, 292,
 &end
#
#   19 LYS  HA           19 LYS  HG+         6.00    (#    478:20  Unique         2.26, 3.18 A)
 &rst
  ixpk= 478, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:479      0 AMB  20-1:479    4.50    (#    479:20  Double Ambig)
 &rst
  ixpk= 479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 288, 289, 769, 770,
 igr2= 291, 292, 291, 292,
 &end
#
#   19 LYS  HD+          19 LYS  HG+         2.80    (#    480:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 294, 295,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:482     19 LYS  HG-         4.50    (#    482:20  Single Ambig)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 288, 289, 769, 770,
 igr2= 291, 292,
 &end
#
#    0 AMB  20-2:483     19 LYS  HG-         4.50    (#    483:20  Single Ambig)
 &rst
  ixpk= 483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 297, 298, 297, 298,
 igr2= 291, 292,
 &end
#
#   60 LEU  HA           60 LEU  MDX         4.50    (#    484:20  Unique         2.20, 3.94 A)
 &rst
  ixpk= 484, nxpk= 20, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#   55 ILE  HA           61 LEU  MDX         4.50    (#    485:20  Unique         2.28, 4.50 A)
 &rst
  ixpk= 485, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#   61 LEU  HA           61 LEU  MDX         3.50    (#    486:20  Unique         2.16, 3.81 A)
 &rst
  ixpk= 486, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:487      0 AMB  20-1:487    4.50    (#    487:20  Double Ambig)
 &rst
  ixpk= 487, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 679, 680, 681, 683, 684, 685, 166, 167, 168, 170,
       171, 172,
 igr2=1232, 965, 966, 967, 969, 970, 971,
 &end
#
#   77 LEU  HA           77 LEU  HG          3.50    (#    488:20  Unique         2.46, 2.87 A)
 &rst
  ixpk= 488, nxpk= 20, iat=1227,1232, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   77 LEU  HB-          77 LEU  HG          4.50    (#    489:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 489, nxpk= 20, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1229,1230,
 &end
#
#   77 LEU  MDY          77 LEU  HG          2.80    (#    490:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 490, nxpk= 20, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1234,1235,1236,1238,1239,1240,
 &end
#
#   77 LEU  MDX          77 LEU  HG          2.80    (#    491:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1234,1235,1236,1238,1239,1240,
 &end
#
#   43 LEU  MDX          77 LEU  HG          3.50    (#    492:20  Unique         2.35, 4.81 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,1232, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   61 LEU  HG           61 LEU  MDX         2.80    (#    493:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 493, nxpk= 20, iat= 963,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:494     61 LEU  MDX         4.50    (#    494:20  Single Ambig)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2= 965, 966, 967, 969, 970, 971,
 &end
#
#   90 THR  HB           39 VAL  MGY         4.50    (#    495:20  Unique         2.29, 3.78 A)
 &rst
  ixpk= 495, nxpk= 20, iat=1418,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   87 CYS  HA           39 VAL  MGY         3.50    (#    496:20  Unique         2.07, 3.81 A)
 &rst
  ixpk= 496, nxpk= 20, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   39 VAL  HA           39 VAL  MGY         3.50    (#    497:20  Unique         2.29, 3.17 A)
 &rst
  ixpk= 497, nxpk= 20, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:498     39 VAL  MGY         2.80    (#    498:20  Single Ambig)
 &rst
  ixpk= 498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1229,1230, 606,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   75 PRO  HG-          39 VAL  MGY         6.00    (#    499:20  Unique         3.79, 8.08 A)
 &rst
  ixpk= 499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1198,1199,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   88 ASP  HA           91 VAL  MGY         4.50    (#    502:20  Unique         3.45, 4.64 A)
 &rst
  ixpk= 502, nxpk= 20, iat=1385,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:503     91 VAL  MGY         2.80    (#    503:20  Single Ambig)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1430, 544, 545,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   91 VAL  HB           91 VAL  MGY         2.80    (#    504:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 504, nxpk= 20, iat=1432,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   42 ILE  QD1          91 VAL  MGY         2.80    (#    505:20  Unique         2.30, 4.40 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 664, 665, 666,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:506     56 LEU  MDX         3.50    (#    506:20  Single Ambig)
 &rst
  ixpk= 506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1= 859,1027,1028,1052,1053,1052,1053,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   39 VAL  HA           39 VAL  MGX         3.50    (#    507:20  Unique         2.29, 3.17 A)
 &rst
  ixpk= 507, nxpk= 20, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:508      0 AMB  20-1:508    2.80    (#    508:20  Double Ambig)
 &rst
  ixpk= 508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1229,1230, 878, 879, 606,
 igr2= 608, 609, 610, 612, 613, 614, 883, 884, 885, 887,
       888, 889,
 &end
#
#    0 AMB  20-2:510     39 VAL  MGX         4.50    (#    510:20  Single Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1=1234,1235,1236,1238,1239,1240, 664, 665, 666,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#   43 LEU  MDX          39 VAL  MGX         4.50    (#    511:20  Unique         2.34, 6.14 A)
 &rst
  ixpk= 511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:512     65 LEU  MDX         3.50    (#    512:20  Single Ambig)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1025, 857,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:513      0 AMB  20-1:513    4.50    (#    513:20  Double Ambig)
 &rst
  ixpk= 513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1027,1028, 729,
 igr2=1032,1033,1034,1036,1037,1038,1554,1555,1556,1558,
      1559,1560,
 &end
#
#   65 LEU  HG           65 LEU  MDX         3.50    (#    514:20  Unique         2.32, 2.66 A)
 &rst
  ixpk= 514, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   11 LEU  MDY          65 LEU  MDX         8.00    (#    515:20  Unique         2.30, 5.34 A)
 &rst
  ixpk= 515, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    0 AMB  20-2:516     65 LEU  MDX         4.50    (#    516:20  Single Ambig)
 &rst
  ixpk= 516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 361, 362,1083,1084,1083,1084,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   10 THR  HB            0 AMB  20-1:518    4.50    (#    518:20  Single Ambig)
 &rst
  ixpk= 518, nxpk= 20, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    7 LEU  HA            0 AMB  20-1:519    2.80    (#    519:20  Single Ambig)
 &rst
  ixpk= 519, nxpk= 20, iat=  90,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    0 AMB  20-2:520      0 AMB  20-1:520    8.00    (#    520:20  Double Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=15.83, r4=16.58,
 igr1= 958,1018,1019,1018,1019,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    0 AMB  20-2:521      0 AMB  20-1:521    2.80    (#    521:20  Double Ambig)
 &rst
  ixpk= 521, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1= 960, 961, 960, 961, 960, 961, 941, 942,  92,  93,
        92,  93,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#   11 LEU  MDY           0 AMB  20-1:522    4.50    (#    522:20  Single Ambig)
 &rst
  ixpk= 522, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    0 AMB  20-2:523      0 AMB  20-1:523    6.00    (#    523:20  Double Ambig)
 &rst
  ixpk= 523, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.70, r4=15.45,
 igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
      1037,1038,1032,1033,1034,1036,1037,1038,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#   20 VAL  HA           20 VAL  MGY         2.80    (#    524:20  Unique         2.26, 3.32 A)
 &rst
  ixpk= 524, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  20-2:525     20 VAL  MGY         2.80    (#    525:20  Single Ambig)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 783, 784, 310,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   43 LEU  MDX          20 VAL  MGY         4.50    (#    526:20  Unique         2.15, 4.64 A)
 &rst
  ixpk= 526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   50 PHE  HB+          20 VAL  MGY         4.50    (#    527:20  Unique         2.27, 4.55 A)
 &rst
  ixpk= 527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 783, 784,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   48 ALA  MB           20 VAL  MGY         4.50    (#    528:20  Unique         2.30, 5.25 A)
 &rst
  ixpk= 528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 759, 760, 761,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   43 LEU  MDY          20 VAL  MGY         4.50    (#    529:20  Unique         2.15, 4.64 A)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  20-2:530     46 LEU  MDY         4.50    (#    530:20  Single Ambig)
 &rst
  ixpk= 530, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1552,1549,1550, 759, 760, 761,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   42 ILE  QG2          46 LEU  MDY         6.00    (#    531:20  Unique         2.89, 5.98 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1= 657, 658, 659,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   46 LEU  HA           46 LEU  MDY         2.80    (#    532:20  Unique         2.09, 3.86 A)
 &rst
  ixpk= 532, nxpk= 20, iat= 724,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:533     46 LEU  MDY         6.00    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1566, 672,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#  100 GLN  HG+          46 LEU  MDY         6.00    (#    534:20  Unique         2.23, 4.47 A)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1571,1572,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#  100 GLN  HG-          46 LEU  MDY         4.50    (#    535:20  Unique         2.23, 4.47 A)
 &rst
  ixpk= 535, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1571,1572,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:536     46 LEU  MDY         2.80    (#    536:20  Single Ambig)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1568,1569, 729,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   46 LEU  HB+          46 LEU  MDY         4.50    (#    537:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 537, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   46 LEU  HB-          46 LEU  MDY         4.50    (#    538:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#    0 AMB  20-2:540     99 LEU  MDY         4.50    (#    540:20  Single Ambig)
 &rst
  ixpk= 540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1617,1600,1601,1600,1601,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   90 THR  MG2          99 LEU  MDY         4.50    (#    541:20  Unique         2.25, 4.05 A)
 &rst
  ixpk= 541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1420,1421,1422,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:542     99 LEU  MDY         2.80    (#    542:20  Single Ambig)
 &rst
  ixpk= 542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1547, 672,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:543     99 LEU  MDY         3.50    (#    543:20  Single Ambig)
 &rst
  ixpk= 543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1549,1550,1463,1464,1465,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:544     99 LEU  MDY         2.80    (#    544:20  Single Ambig)
 &rst
  ixpk= 544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1552,1549,1550,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   77 LEU  MDX          99 LEU  MDY         3.50    (#    546:20  Unique         2.35, 5.52 A)
 &rst
  ixpk= 546, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   21 VAL  HA           21 VAL  MGY         3.50    (#    547:20  Unique         2.41, 3.19 A)
 &rst
  ixpk= 547, nxpk= 20, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   18 HIS  HB-          21 VAL  MGY         4.50    (#    548:20  Unique         2.42, 5.51 A)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 271, 272,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   11 LEU  MDY          14 VAL  MGX         6.00    (#    550:20  Unique         3.24, 6.85 A)
 &rst
  ixpk= 550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   18 HIS  HB+          21 VAL  MGY         4.50    (#    551:20  Unique         2.42, 5.51 A)
 &rst
  ixpk= 551, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 271, 272,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   21 VAL  HB           21 VAL  MGY         2.80    (#    552:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 552, nxpk= 20, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  20-2:553    103 VAL  MGY         4.50    (#    553:20  Single Ambig)
 &rst
  ixpk= 553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 672,1547,1566,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  103 VAL  HA          103 VAL  MGY         2.80    (#    554:20  Unique         2.41, 3.15 A)
 &rst
  ixpk= 554, nxpk= 20, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:555    103 VAL  MGY         2.80    (#    555:20  Single Ambig)
 &rst
  ixpk= 555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1617,1600,1601,1600,1601,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:556    103 VAL  MGY         2.80    (#    556:20  Single Ambig)
 &rst
  ixpk= 556, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 759, 760, 761,1552,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   99 LEU  MDY         103 VAL  MGY         2.80    (#    557:20  Unique         2.21, 5.69 A)
 &rst
  ixpk= 557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#   79 ILE  QD1         103 VAL  MGY         3.50    (#    558:20  Unique         2.36, 5.30 A)
 &rst
  ixpk= 558, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1278,1279,1280,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:559     11 LEU  MDY         2.80    (#    559:20  Single Ambig)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 159, 109,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   11 LEU  HG           11 LEU  MDY         2.80    (#    560:20  Unique         2.39, 2.66 A)
 &rst
  ixpk= 560, nxpk= 20, iat= 164,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   61 LEU  MDY          11 LEU  MDY         6.00    (#    561:20  Unique         2.49, 5.72 A)
 &rst
  ixpk= 561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 965, 966, 967, 969, 970, 971,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   14 VAL  HB           14 VAL  MGX         2.80    (#    563:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 563, nxpk= 20, iat= 214,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   14 VAL  HA           14 VAL  MGX         3.50    (#    564:20  Unique         2.35, 3.30 A)
 &rst
  ixpk= 564, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:565      0 AMB  20-1:565    4.50    (#    565:20  Double Ambig)
 &rst
  ixpk= 565, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 806, 807, 661, 662, 195, 196,
 igr2= 216, 217, 218, 220, 221, 222, 594, 595, 596,
 &end
#
#   11 LEU  HB+          11 LEU  MDY         3.50    (#    566:20  Unique         2.36, 3.37 A)
 &rst
  ixpk= 566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 161, 162,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#    0 AMB  20-2:567     11 LEU  MDY         3.50    (#    567:20  Single Ambig)
 &rst
  ixpk= 567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 149, 150, 151, 232, 233, 234, 236, 237, 238,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#    0 AMB  20-2:568      0 AMB  20-1:568    2.80    (#    568:20  Double Ambig)
 &rst
  ixpk= 568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=  52,  54, 244,
 igr2=  56,  57,  58, 248, 249, 250,
 &end
#
#    0 AMB  20-2:569      0 AMB  20-1:569    6.00    (#    569:20  Double Ambig)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
 igr1=  65,  66,  65,  66, 190,
 igr2=  56,  57,  58, 248, 249, 250,
 &end
#
#    0 AMB  20-2:570      0 AMB  20-1:570    4.50    (#    570:20  Double Ambig)
 &rst
  ixpk= 570, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 806, 807, 661, 662, 195, 196,
 igr2= 216, 217, 218, 220, 221, 222, 594, 595, 596,
 &end
#
#    0 AMB  20-2:571      0 AMB  20-1:571    4.50    (#    571:20  Double Ambig)
 &rst
  ixpk= 571, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 328, 329, 330, 332, 333, 334, 345, 608, 609, 610,
       612, 613, 614, 342, 343,
 igr2= 216, 217, 218, 220, 221, 222, 624, 625, 626, 628,
       629, 630,
 &end
#
#   38 THR  HB           38 THR  MG2         2.80    (#    572:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 572, nxpk= 20, iat= 592,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 594, 595, 596,
 &end
#
#    0 AMB  20-2:573      0 AMB  20-1:573    2.80    (#    573:20  Double Ambig)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.82, r4= 6.57,
 igr1= 664, 665, 666, 232, 233, 234, 236, 237, 238,
 igr2= 594, 595, 596, 216, 217, 218, 220, 221, 222,
 &end
#
#   90 THR  HA           90 THR  MG2         2.80    (#    574:20  Unique         2.46, 3.11 A)
 &rst
  ixpk= 574, nxpk= 20, iat=1416,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1420,1421,1422,
 &end
#
#   99 LEU  MDX          90 THR  MG2         2.80    (#    575:20  Unique         2.25, 4.05 A)
 &rst
  ixpk= 575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1420,1421,1422,
 &end
#
#   55 ILE  HA           55 ILE  QG2         3.50    (#    576:20  Unique         2.26, 3.10 A)
 &rst
  ixpk= 576, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 861, 862, 863,
 &end
#
#    0 AMB  20-2:577     55 ILE  QG2         3.50    (#    577:20  Single Ambig)
 &rst
  ixpk= 577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 859,1027,1028,
 igr2= 861, 862, 863,
 &end
#
#   16 THR  HB           16 THR  MG2         2.80    (#    578:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 246,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 248, 249, 250,
 &end
#
#   16 THR  HG1          16 THR  MG2         6.00    (#    579:20  Unique         2.24, 2.78 A)
 &rst
  ixpk= 579, nxpk= 20, iat= 252,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 248, 249, 250,
 &end
#
#   15 VAL  MGX          16 THR  MG2         3.50    (#    580:20  Unique         2.40, 5.77 A)
 &rst
  ixpk= 580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 232, 233, 234, 236, 237, 238,
 igr2= 248, 249, 250,
 &end
#
#    9 THR  HB            9 THR  MG2         2.80    (#    581:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 581, nxpk= 20, iat= 133,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 135, 136, 137,
 &end
#
#    9 THR  HA            9 THR  MG2         2.80    (#    582:20  Unique         2.36, 3.09 A)
 &rst
  ixpk= 582, nxpk= 20, iat= 131,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 135, 136, 137,
 &end
#
#   13 LYS  HE-           9 THR  MG2         6.00    (#    583:20  Unique         2.44, 4.90 A)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 201, 202,
 igr2= 135, 136, 137,
 &end
#
#   27 THR  HA           27 THR  MG2         3.50    (#    584:20  Unique         2.49, 3.32 A)
 &rst
  ixpk= 584, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 429, 430, 431,
 &end
#
#   27 THR  HB           27 THR  MG2         2.80    (#    585:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 585, nxpk= 20, iat= 427,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 429, 430, 431,
 &end
#
#   30 PHE  HB-          27 THR  MG2         6.00    (#    586:20  Unique         2.48, 5.36 A)
 &rst
  ixpk= 586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 475, 476,
 igr2= 429, 430, 431,
 &end
#
#    0 AMB  20-2:587     27 THR  MG2         6.00    (#    587:20  Single Ambig)
 &rst
  ixpk= 587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 441, 442, 388, 389, 390,
 igr2= 429, 430, 431,
 &end
#
#   40 VAL  HA           40 VAL  MGY         4.50    (#    588:20  Unique         2.39, 3.36 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 620,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:589     40 VAL  MGY         4.50    (#    589:20  Single Ambig)
 &rst
  ixpk= 589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 702, 703, 702, 703,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:590     40 VAL  MGY         4.50    (#    590:20  Single Ambig)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 495, 496, 638, 639,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:591     40 VAL  MGY         3.50    (#    591:20  Single Ambig)
 &rst
  ixpk= 591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 498, 499, 342, 343, 696, 697, 693, 694,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:592     40 VAL  MGY         2.80    (#    592:20  Single Ambig)
 &rst
  ixpk= 592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 388, 389, 390, 699, 700, 699, 700,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#   39 VAL  MGX          90 THR  MG2         2.80    (#    593:20  Unique         2.21, 4.19 A)
 &rst
  ixpk= 593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 608, 609, 610, 612, 613, 614,
 igr2=1420,1421,1422,
 &end
#
#   90 THR  HB           90 THR  MG2         2.80    (#    594:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 594, nxpk= 20, iat=1418,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1420,1421,1422,
 &end
#
#    0 AMB  20-2:595     90 THR  MG2         2.80    (#    595:20  Single Ambig)
 &rst
  ixpk= 595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1234,1235,1236,1238,1239,1240, 664, 665, 666,
 igr2=1420,1421,1422,
 &end
#
#   42 ILE  QG2          90 THR  MG2         2.80    (#    596:20  Unique         2.34, 4.51 A)
 &rst
  ixpk= 596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 657, 658, 659,
 igr2=1420,1421,1422,
 &end
#
#   21 VAL  MGX          14 VAL  MGY         6.00    (#    597:20  Unique         2.26, 5.49 A)
 &rst
  ixpk= 597, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   14 VAL  HA           14 VAL  MGY         3.50    (#    598:20  Unique         2.35, 3.30 A)
 &rst
  ixpk= 598, nxpk= 20, iat= 212,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   53 VAL  MGX          14 VAL  MGY         4.50    (#    599:20  Unique         2.32, 5.69 A)
 &rst
  ixpk= 599, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#   56 LEU  HA           56 LEU  MDY         3.50    (#    600:20  Unique         2.15, 3.49 A)
 &rst
  ixpk= 600, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   75 PRO  HG-          56 LEU  MDY         8.00    (#    601:20  Unique         6.20,10.86 A)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1=1198,1199,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   56 LEU  HB+          56 LEU  MDY         2.80    (#    602:20  Unique         2.38, 3.44 A)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 878, 879,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   55 ILE  QD1          56 LEU  MDY         4.50    (#    603:20  Unique         2.22, 5.41 A)
 &rst
  ixpk= 603, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 868, 869, 870,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#   23 PHE  HB-          55 ILE  QG2         6.00    (#    604:20  Unique         2.26, 3.87 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 361, 362,
 igr2= 861, 862, 863,
 &end
#
#   15 VAL  HA           14 VAL  MGY         4.50    (#    605:20  Unique         3.10, 5.56 A)
 &rst
  ixpk= 605, nxpk= 20, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:606    103 VAL  MGX         4.50    (#    606:20  Single Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1683,1684,1680,1681,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:607    103 VAL  MGX         2.80    (#    607:20  Single Ambig)
 &rst
  ixpk= 607, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 759, 760, 761,1552,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#  103 VAL  HA          103 VAL  MGX         2.80    (#    608:20  Unique         2.41, 3.15 A)
 &rst
  ixpk= 608, nxpk= 20, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1619,1620,1621,1623,1624,1625,
 &end
#
#    0 AMB  20-2:609      0 AMB  20-1:609    2.80    (#    609:20  Double Ambig)
 &rst
  ixpk= 609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1=1617, 979, 980, 979, 980,
 igr2=1619,1620,1621,1623,1624,1625, 883, 884, 885, 887,
       888, 889,
 &end
#
#    0 AMB  20-2:610     91 VAL  MGX         3.50    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1500,1501,1500,1501,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    2.80    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 214,1432,
 igr2= 216, 217, 218, 220, 221, 222,1434,1435,1436,1438,
      1439,1440,
 &end
#
#   21 VAL  HA           21 VAL  MGX         4.50    (#    612:20  Unique         2.41, 3.19 A)
 &rst
  ixpk= 612, nxpk= 20, iat= 324,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   21 VAL  HB           21 VAL  MGX         2.80    (#    613:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 613, nxpk= 20, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   14 VAL  MGY          21 VAL  MGX         8.00    (#    614:20  Unique         2.26, 5.49 A)
 &rst
  ixpk= 614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.54, r4=15.29,
 igr1= 216, 217, 218, 220, 221, 222,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   53 VAL  MGX          21 VAL  MGX         4.50    (#    616:20  Unique         2.33, 6.00 A)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  20-2:617     91 VAL  MGX         3.50    (#    617:20  Single Ambig)
 &rst
  ixpk= 617, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1430, 544, 545,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:618     91 VAL  MGX         4.50    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1503,1504,1503,1504,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   66 LYS  HA           73 THR  MG2         8.00    (#    619:20  Unique         7.69, 9.19 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 9.61, r4=10.36,
 igr2=1166,1167,1168,
 &end
#
#   73 THR  HB           73 THR  MG2         3.50    (#    620:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 620, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1166,1167,1168,
 &end
#
#    0 AMB  20-2:621     73 THR  MG2         8.00    (#    621:20  Single Ambig)
 &rst
  ixpk= 621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1=1360,1361,1215,1216,
 igr2=1166,1167,1168,
 &end
#
#   73 THR  HA           73 THR  MG2         3.50    (#    622:20  Unique         2.39, 3.11 A)
 &rst
  ixpk= 622, nxpk= 20, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1166,1167,1168,
 &end
#
#   73 THR  HG1          73 THR  MG2         3.50    (#    623:20  Unique         2.23, 3.26 A)
 &rst
  ixpk= 623, nxpk= 20, iat=1170,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1166,1167,1168,
 &end
#
#   72 PRO  HG-          73 THR  MG2         6.00    (#    624:20  Unique         2.49, 5.33 A)
 &rst
  ixpk= 624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1150,1151,
 igr2=1166,1167,1168,
 &end
#
#   10 THR  HB           10 THR  MG2         2.80    (#    625:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 625, nxpk= 20, iat= 147,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 149, 150, 151,
 &end
#
#   10 THR  HA           10 THR  MG2         2.80    (#    626:20  Unique         2.46, 3.13 A)
 &rst
  ixpk= 626, nxpk= 20, iat= 145,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:627     10 THR  MG2         4.50    (#    627:20  Single Ambig)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103, 831, 832, 833, 835, 836, 837,
 igr2= 149, 150, 151,
 &end
#
#   11 LEU  MDY          10 THR  MG2         4.50    (#    629:20  Unique         2.43, 6.53 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:630     10 THR  MG2         4.50    (#    630:20  Single Ambig)
 &rst
  ixpk= 630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 164, 195, 196,
 igr2= 149, 150, 151,
 &end
#
#    0 AMB  20-2:631     20 VAL  MGX         2.80    (#    631:20  Single Ambig)
 &rst
  ixpk= 631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 783, 784, 310,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  20-2:632     20 VAL  MGX         4.50    (#    632:20  Single Ambig)
 &rst
  ixpk= 632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 769, 770, 288, 289,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   20 VAL  HA           20 VAL  MGX         3.50    (#    633:20  Unique         2.26, 3.32 A)
 &rst
  ixpk= 633, nxpk= 20, iat= 308,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  20-2:634     20 VAL  MGX         4.50    (#    634:20  Single Ambig)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 291, 292,1670,1671,1672,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   15 VAL  HA           15 VAL  MGY         3.50    (#    636:20  Unique         2.36, 3.34 A)
 &rst
  ixpk= 636, nxpk= 20, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   14 VAL  MGY          15 VAL  MGY         4.50    (#    638:20  Unique         2.58, 7.14 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 216, 217, 218, 220, 221, 222,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   15 VAL  HB           15 VAL  MGY         2.80    (#    639:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 639, nxpk= 20, iat= 230,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   21 VAL  MGY          15 VAL  MGY         4.50    (#    640:20  Unique         2.23, 5.87 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   21 VAL  MGX          15 VAL  MGY         4.50    (#    641:20  Unique         2.23, 5.87 A)
 &rst
  ixpk= 641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   43 LEU  HA           43 LEU  MDY         2.80    (#    642:20  Unique         2.16, 3.90 A)
 &rst
  ixpk= 642, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#   43 LEU  HG           43 LEU  MDY         2.80    (#    643:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 643, nxpk= 20, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:644     43 LEU  MDY         2.80    (#    644:20  Single Ambig)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 674, 675,1552,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:645     43 LEU  MDY         4.50    (#    645:20  Single Ambig)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.18, r4= 9.93,
 igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
       613, 614,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:646     43 LEU  MDY         2.80    (#    646:20  Single Ambig)
 &rst
  ixpk= 646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
      1624,1625,1232, 731, 732, 733, 735, 736, 737,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#   77 LEU  MDX          43 LEU  MDY         4.50    (#    647:20  Unique         2.14, 4.42 A)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#   42 ILE  QG2          43 LEU  MDY         3.50    (#    648:20  Unique         2.80, 5.85 A)
 &rst
  ixpk= 648, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 657, 658, 659,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:650     53 VAL  MGY         3.50    (#    650:20  Single Ambig)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 216, 217, 218, 220, 221, 222, 803, 804,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   53 VAL  HB           53 VAL  MGY         2.80    (#    651:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 651, nxpk= 20, iat= 829,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   79 ILE  QD1          20 VAL  MGX         6.00    (#    652:20  Unique         2.45, 5.86 A)
 &rst
  ixpk= 652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1278,1279,1280,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   53 VAL  HA           53 VAL  MGY         3.50    (#    653:20  Unique         2.48, 3.16 A)
 &rst
  ixpk= 653, nxpk= 20, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   71 TRP  HA           72 PRO  HD-         3.50    (#    655:20  Unique         2.14, 2.38 A)
 &rst
  ixpk= 655, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#   72 PRO  HG+          72 PRO  HD-         4.50    (#    657:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#   71 TRP  HA           72 PRO  HD+         3.50    (#    658:20  Unique         2.14, 2.38 A)
 &rst
  ixpk= 658, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#   72 PRO  HG+          72 PRO  HD+         4.50    (#    660:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#   72 PRO  HG-          72 PRO  HD+         4.50    (#    661:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#    2 ALA  HA            2 ALA  MB          2.80    (#    662:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 662, nxpk= 20, iat=  23,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  25,  26,  27,
 &end
#
#   30 PHE  HA           31 PRO  HD+         3.50    (#    663:20  Unique         2.12, 2.54 A)
 &rst
  ixpk= 663, nxpk= 20, iat= 473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   31 PRO  HG-          31 PRO  HD+         4.50    (#    664:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:665      0 AMB  20-1:665    4.50    (#    665:20  Double Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 495, 496, 498, 499,
 igr2= 492, 493, 492, 493,
 &end
#
#   30 PHE  HA           31 PRO  HD-         3.50    (#    666:20  Unique         2.12, 2.54 A)
 &rst
  ixpk= 666, nxpk= 20, iat= 473,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 492, 493,
 &end
#
#   31 PRO  HG-          31 PRO  HD-         4.50    (#    667:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 495, 496,
 igr2= 492, 493,
 &end
#
#    0 AMB  20-2:668     31 PRO  HD-         3.50    (#    668:20  Single Ambig)
 &rst
  ixpk= 668, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 495, 496, 498, 499,
 igr2= 492, 493,
 &end
#
#   53 VAL  HA           53 VAL  MGX         2.80    (#    669:20  Unique         2.48, 3.16 A)
 &rst
  ixpk= 669, nxpk= 20, iat= 827,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   53 VAL  HB           53 VAL  MGX         2.80    (#    670:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 670, nxpk= 20, iat= 829,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#    0 AMB  20-2:671     53 VAL  MGX         4.50    (#    671:20  Single Ambig)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 806, 807, 963,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   21 VAL  MGX          53 VAL  MGX         3.50    (#    673:20  Unique         2.33, 6.00 A)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   89 ILE  QG2          93 ALA  MB          6.00    (#    674:20  Unique         3.30, 5.52 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1401,1402,1403,
 igr2=1463,1464,1465,
 &end
#
#   99 LEU  MDY          93 ALA  MB          4.50    (#    675:20  Unique         3.47, 5.72 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1463,1464,1465,
 &end
#
#   93 ALA  HA           93 ALA  MB          2.80    (#    676:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 676, nxpk= 20, iat=1461,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1463,1464,1465,
 &end
#
#   90 THR  HA           93 ALA  MB          3.50    (#    677:20  Unique         2.24, 3.43 A)
 &rst
  ixpk= 677, nxpk= 20, iat=1416,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1463,1464,1465,
 &end
#
#    0 AMB  20-2:678     93 ALA  MB          2.80    (#    678:20  Single Ambig)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1534,1535,1534,1535,
 igr2=1463,1464,1465,
 &end
#
#    0 AMB  20-2:679     93 ALA  MB          3.50    (#    679:20  Single Ambig)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1549,1550,1405,1406,
 igr2=1463,1464,1465,
 &end
#
#   48 ALA  HA           48 ALA  MB          2.80    (#    680:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 680, nxpk= 20, iat= 757,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 759, 760, 761,
 &end
#
#   49 PRO  HD+          48 ALA  MB          4.50    (#    681:20  Unique         2.25, 3.99 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 766, 767,
 igr2= 759, 760, 761,
 &end
#
#   49 PRO  HD-          48 ALA  MB          4.50    (#    682:20  Unique         2.25, 3.99 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 766, 767,
 igr2= 759, 760, 761,
 &end
#
#   46 LEU  HB+          48 ALA  MB          6.00    (#    683:20  Unique         3.13, 5.17 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 726, 727,
 igr2= 759, 760, 761,
 &end
#
#    0 AMB  20-2:684     48 ALA  MB          4.50    (#    684:20  Single Ambig)
 &rst
  ixpk= 684, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 726, 727, 288, 289,
 igr2= 759, 760, 761,
 &end
#
#    0 AMB  20-2:686     48 ALA  MB          2.80    (#    686:20  Single Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 312, 313, 314, 316, 317, 318,1619,1620,1621,1623,
      1624,1625,
 igr2= 759, 760, 761,
 &end
#
#   43 LEU  MDY          48 ALA  MB          4.50    (#    687:20  Unique         3.49, 5.94 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 759, 760, 761,
 &end
#
#   12 ASP  HA           15 VAL  MGX         4.50    (#    688:20  Unique         2.11, 4.37 A)
 &rst
  ixpk= 688, nxpk= 20, iat= 178,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   15 VAL  HA           15 VAL  MGX         4.50    (#    689:20  Unique         2.36, 3.34 A)
 &rst
  ixpk= 689, nxpk= 20, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   81 GLY  HA-          15 VAL  MGX         6.00    (#    690:20  Unique         2.30, 4.93 A)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1298,1299,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   15 VAL  HB           15 VAL  MGX         2.80    (#    691:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 691, nxpk= 20, iat= 230,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   16 THR  MG2          15 VAL  MGX         2.80    (#    692:20  Unique         2.40, 5.77 A)
 &rst
  ixpk= 692, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 248, 249, 250,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   21 VAL  MGY          15 VAL  MGX         6.00    (#    694:20  Unique         2.23, 5.87 A)
 &rst
  ixpk= 694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 232, 233, 234, 236, 237, 238,
 &end
#
#   19 LYS  HD+         106 ALA  MB          4.50    (#    695:20  Unique         2.41, 5.02 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 294, 295,
 igr2=1670,1671,1672,
 &end
#
#  106 ALA  HA          106 ALA  MB          2.80    (#    696:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 696, nxpk= 20, iat=1668,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1670,1671,1672,
 &end
#
#  103 VAL  HA          106 ALA  MB          3.50    (#    697:20  Unique         2.30, 3.33 A)
 &rst
  ixpk= 697, nxpk= 20, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1670,1671,1672,
 &end
#
#   80 ASP  HB-         106 ALA  MB          3.50    (#    698:20  Unique         2.30, 3.93 A)
 &rst
  ixpk= 698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1288,1289,
 igr2=1670,1671,1672,
 &end
#
#   19 LYS  HB-         106 ALA  MB          4.50    (#    699:20  Unique         2.48, 5.17 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 288, 289,
 igr2=1670,1671,1672,
 &end
#
#    0 AMB  20-2:700    106 ALA  MB          3.50    (#    700:20  Single Ambig)
 &rst
  ixpk= 700, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1=1269, 288, 289, 291, 292,
 igr2=1670,1671,1672,
 &end
#
#   79 ILE  QG2         106 ALA  MB          2.80    (#    701:20  Unique         2.31, 3.54 A)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1271,1272,1273,
 igr2=1670,1671,1672,
 &end
#
#    6 ALA  HA            6 ALA  MB          2.80    (#    703:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 703, nxpk= 20, iat=  80,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=  82,  83,  84,
 &end
#
#   31 PRO  HA           24 MET  ME          4.50    (#    704:20  Unique         2.12, 3.08 A)
 &rst
  ixpk= 704, nxpk= 20, iat= 501,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:705     24 MET  ME          4.50    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 342, 343, 345,
 igr2= 388, 389, 390,
 &end
#
#   52 SER  HB+          24 MET  ME          3.50    (#    706:20  Unique         2.22, 4.31 A)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 818, 819,
 igr2= 388, 389, 390,
 &end
#
#   28 LYS  HA           24 MET  ME          4.50    (#    707:20  Unique         3.74, 5.09 A)
 &rst
  ixpk= 707, nxpk= 20, iat= 439,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:708     24 MET  ME          2.80    (#    708:20  Single Ambig)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 512, 513, 512, 513,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:709     24 MET  ME          2.80    (#    709:20  Single Ambig)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 498, 499, 342, 343,
 igr2= 388, 389, 390,
 &end
#
#   24 MET  HB-          24 MET  ME          4.50    (#    710:20  Unique         2.37, 4.13 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 381, 382,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:711     24 MET  ME          2.80    (#    711:20  Single Ambig)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.65, r4= 5.40,
 igr1= 624, 625, 626, 628, 629, 630, 567,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:712     79 ILE  QG2         2.80    (#    712:20  Single Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 308,1267,
 igr2=1271,1272,1273,
 &end
#
#  103 VAL  HA           79 ILE  QG2         3.50    (#    713:20  Unique         2.60, 4.25 A)
 &rst
  ixpk= 713, nxpk= 20, iat=1615,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1271,1272,1273,
 &end
#
#   80 ASP  HB-          79 ILE  QG2         4.50    (#    714:20  Unique         2.33, 4.51 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1288,1289,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:715     79 ILE  QG2         4.50    (#    715:20  Single Ambig)
 &rst
  ixpk= 715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1600,1601,1600,1601,1617,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:716     79 ILE  QG2         2.80    (#    716:20  Single Ambig)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1269, 291, 292, 288, 289,
 igr2=1271,1272,1273,
 &end
#
#  106 ALA  MB           79 ILE  QG2         2.80    (#    717:20  Unique         2.31, 3.54 A)
 &rst
  ixpk= 717, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1670,1671,1672,
 igr2=1271,1272,1273,
 &end
#
#   79 ILE  HG1-         79 ILE  QG2         4.50    (#    718:20  Unique         2.51, 3.57 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1275,1276,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:719     79 ILE  QG2         4.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.39, r4= 9.14,
 igr1= 328, 329, 330, 332, 333, 334, 342, 343, 608, 609,
       610, 612, 613, 614,
 igr2=1271,1272,1273,
 &end
#
#   79 ILE  QD1          79 ILE  QG2         3.50    (#    720:20  Unique         2.21, 3.70 A)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1278,1279,1280,
 igr2=1271,1272,1273,
 &end
#
#   89 ILE  HG1-         89 ILE  QG2         4.50    (#    721:20  Unique         2.39, 3.55 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1405,1406,
 igr2=1401,1402,1403,
 &end
#
#   89 ILE  QD1          89 ILE  QG2         2.80    (#    722:20  Unique         2.22, 3.76 A)
 &rst
  ixpk= 722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1408,1409,1410,
 igr2=1401,1402,1403,
 &end
#
#   89 ILE  HA           89 ILE  QG2         3.50    (#    723:20  Unique         2.45, 3.44 A)
 &rst
  ixpk= 723, nxpk= 20, iat=1397,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1401,1402,1403,
 &end
#
#   89 ILE  HB           89 ILE  QG2         3.50    (#    724:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 724, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1401,1402,1403,
 &end
#
#   89 ILE  HG1+         89 ILE  QG2         3.50    (#    725:20  Unique         2.39, 3.55 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1405,1406,
 igr2=1401,1402,1403,
 &end
#
#   85 GLY  HA+          89 ILE  QG2         4.50    (#    726:20  Unique         2.48, 4.74 A)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1360,1361,
 igr2=1401,1402,1403,
 &end
#
#   85 GLY  HA-          89 ILE  QG2         6.00    (#    727:20  Unique         2.48, 4.74 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1360,1361,
 igr2=1401,1402,1403,
 &end
#
#   43 LEU  MDY          42 ILE  QG2         4.50    (#    728:20  Unique         2.80, 5.85 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 657, 658, 659,
 &end
#
#    0 AMB  20-2:729     42 ILE  QG2         4.50    (#    729:20  Single Ambig)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1473,1474, 604,
 igr2= 657, 658, 659,
 &end
#
#    0 AMB  20-2:730     42 ILE  QG2         3.50    (#    730:20  Single Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474, 653,
 igr2= 657, 658, 659,
 &end
#
#   42 ILE  HB           42 ILE  QG2         2.80    (#    731:20  Unique         2.41, 2.65 A)
 &rst
  ixpk= 731, nxpk= 20, iat= 655,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 657, 658, 659,
 &end
#
#    0 AMB  20-2:732     42 ILE  QG2         6.00    (#    732:20  Single Ambig)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.39, r4=11.14,
 igr1=1552, 608, 609, 610, 612, 613, 614,1549,1550,
 igr2= 657, 658, 659,
 &end
#
#   90 THR  MG2          42 ILE  QG2         3.50    (#    733:20  Unique         2.34, 4.51 A)
 &rst
  ixpk= 733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1420,1421,1422,
 igr2= 657, 658, 659,
 &end
#
#   99 LEU  MDX          42 ILE  QG2         3.50    (#    734:20  Unique         2.39, 4.55 A)
 &rst
  ixpk= 734, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2= 657, 658, 659,
 &end
#
#   42 ILE  QD1          42 ILE  QG2         2.80    (#    735:20  Unique         2.20, 3.76 A)
 &rst
  ixpk= 735, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 664, 665, 666,
 igr2= 657, 658, 659,
 &end
#
#   22 LEU  HA           22 LEU  HB-         6.00    (#    738:20  Unique         2.48, 2.83 A)
 &rst
  ixpk= 738, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 342, 343,
 &end
#
#   89 ILE  QG2          85 GLY  HA-         4.50    (#    741:20  Unique         2.48, 4.74 A)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1401,1402,1403,
 igr2=1360,1361,
 &end
#
#   89 ILE  QG2          85 GLY  HA+         3.50    (#    742:20  Unique         2.48, 4.74 A)
 &rst
  ixpk= 742, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1401,1402,1403,
 igr2=1360,1361,
 &end
#
#   91 VAL  HA           42 ILE  QD1         4.50    (#    743:20  Unique         2.44, 3.21 A)
 &rst
  ixpk= 743, nxpk= 20, iat=1430,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 664, 665, 666,
 &end
#
#    0 AMB  20-2:744     42 ILE  QD1         3.50    (#    744:20  Single Ambig)
 &rst
  ixpk= 744, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 604,1473,1474,
 igr2= 664, 665, 666,
 &end
#
#   94 TYR  HB-          42 ILE  QD1         4.50    (#    745:20  Unique         2.54, 4.08 A)
 &rst
  ixpk= 745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1473,1474,
 igr2= 664, 665, 666,
 &end
#
#    0 AMB  20-2:746     42 ILE  QD1         2.80    (#    746:20  Single Ambig)
 &rst
  ixpk= 746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 661, 662, 655,
 igr2= 664, 665, 666,
 &end
#
#    0 AMB  20-2:747     42 ILE  QD1         2.80    (#    747:20  Single Ambig)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1434,1435,1436,1438,1439,1440, 594, 595, 596,
 igr2= 664, 665, 666,
 &end
#
#   99 LEU  MDX          42 ILE  QD1         4.50    (#    748:20  Unique         3.93, 7.03 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2= 664, 665, 666,
 &end
#
#    0 AMB  20-2:749     42 ILE  QD1         2.80    (#    749:20  Single Ambig)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 657, 658, 659, 661, 662,
 igr2= 664, 665, 666,
 &end
#
#    0 AMB  20-2:750     55 ILE  QD1         4.50    (#    750:20  Single Ambig)
 &rst
  ixpk= 750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 361, 362,1178,1179, 407, 408,
 igr2= 868, 869, 870,
 &end
#
#    0 AMB  20-2:751     55 ILE  QD1         4.50    (#    751:20  Single Ambig)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 859,1027,1028,
 igr2= 868, 869, 870,
 &end
#
#   56 LEU  HB+          55 ILE  QD1         4.50    (#    752:20  Unique         3.10, 6.10 A)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 878, 879,
 igr2= 868, 869, 870,
 &end
#
#   25 LYS  HD-          55 ILE  QD1         6.00    (#    753:20  Unique         3.56, 6.04 A)
 &rst
  ixpk= 753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 404, 405,
 igr2= 868, 869, 870,
 &end
#
#    0 AMB  20-2:754     55 ILE  QD1         2.80    (#    754:20  Single Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1= 883, 884, 885, 887, 888, 889, 865, 866, 965, 966,
       967, 969, 970, 971,
 igr2= 868, 869, 870,
 &end
#
#   77 LEU  MDX          77 LEU  HB-         4.50    (#    755:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 755, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1229,1230,
 &end
#
#   77 LEU  HG           77 LEU  HB-         4.50    (#    757:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 757, nxpk= 20, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1229,1230,
 &end
#
#   77 LEU  MDY          77 LEU  HB+         3.50    (#    758:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1229,1230,
 &end
#
#   77 LEU  HG           77 LEU  HB+         6.00    (#    759:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 759, nxpk= 20, iat=1232,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1229,1230,
 &end
#
#   77 LEU  MDX          77 LEU  HB+         4.50    (#    761:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1229,1230,
 &end
#
#    0 AMB  20-2:763      0 AMB  20-1:763    4.50    (#    763:20  Double Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1198,1199, 381, 382,
 igr2= 407, 408, 407, 408,
 &end
#
#    0 AMB  20-2:765     25 LYS  HE-         4.50    (#    765:20  Single Ambig)
 &rst
  ixpk= 765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1198,1199, 381, 382,
 igr2= 407, 408,
 &end
#
#   85 GLY  HA+          89 ILE  QD1         6.00    (#    766:20  Unique         2.44, 4.88 A)
 &rst
  ixpk= 766, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1360,1361,
 igr2=1408,1409,1410,
 &end
#
#    0 AMB  20-2:767     79 ILE  QD1         4.50    (#    767:20  Single Ambig)
 &rst
  ixpk= 767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1603,1604,1342,1343,
 igr2=1278,1279,1280,
 &end
#
#   89 ILE  HA           89 ILE  QD1         6.00    (#    768:20  Unique         2.45, 4.55 A)
 &rst
  ixpk= 768, nxpk= 20, iat=1397,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1408,1409,1410,
 &end
#
#   85 GLY  HA-          89 ILE  QD1         6.00    (#    769:20  Unique         2.44, 4.88 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1360,1361,
 igr2=1408,1409,1410,
 &end
#
#   89 ILE  HG1-         89 ILE  QD1         3.50    (#    770:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 770, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1405,1406,
 igr2=1408,1409,1410,
 &end
#
#   89 ILE  HB           89 ILE  QD1         3.50    (#    771:20  Unique         2.46, 3.20 A)
 &rst
  ixpk= 771, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1408,1409,1410,
 &end
#
#   89 ILE  HG1+         89 ILE  QD1         2.80    (#    772:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1405,1406,
 igr2=1408,1409,1410,
 &end
#
#   89 ILE  QG2          89 ILE  QD1         2.80    (#    773:20  Unique         2.22, 3.76 A)
 &rst
  ixpk= 773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1401,1402,1403,
 igr2=1408,1409,1410,
 &end
#
#    0 AMB  20-2:774     79 ILE  QD1         3.50    (#    774:20  Single Ambig)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1600,1601,1600,1601,1307,1308,
 igr2=1278,1279,1280,
 &end
#
#   79 ILE  HB           79 ILE  QD1         3.50    (#    775:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 775, nxpk= 20, iat=1269,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1278,1279,1280,
 &end
#
#   79 ILE  HG1-         79 ILE  QD1         2.80    (#    776:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 776, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1275,1276,
 igr2=1278,1279,1280,
 &end
#
#    0 AMB  20-2:777     79 ILE  QD1         2.80    (#    777:20  Single Ambig)
 &rst
  ixpk= 777, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.39, r4= 6.14,
 igr1=1271,1272,1273,1275,1276,1619,1620,1621,1623,1624,
      1625, 312, 313, 314, 316, 317, 318,
 igr2=1278,1279,1280,
 &end
#
#   77 LEU  MDX          79 ILE  QD1         4.50    (#    778:20  Unique         2.30, 5.12 A)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1278,1279,1280,
 &end
#
#    0 AMB  20-2:782      0 AMB  20-1:782    2.80    (#    782:20  Double Ambig)
 &rst
  ixpk= 782, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.03, r4= 7.78,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 946, 947, 948, 950, 951, 952, 946, 947,
       948, 950, 951, 952,  38,
 igr2=  35,  36,  35,  36,  35,  36,  35,  36,  35,  36,
      
 &end
#
#    3 LEU  HA            3 LEU  HB-         4.50    (#    783:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 783, nxpk= 20, iat=  33,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  35,  36,
 &end
#
#    0 AMB  20-2:784      3 LEU  HB-         6.00    (#    784:20  Single Ambig)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1068,1069,1068,1069,
 igr2=  35,  36,
 &end
#
#    0 AMB  20-2:786      3 LEU  HB-         2.80    (#    786:20  Single Ambig)
 &rst
  ixpk= 786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 946, 947, 948, 950, 951, 952, 946, 947,
       948, 950, 951, 952,  38,
 igr2=  35,  36,
 &end
#
#    8 LYS  HD+           8 LYS  HE+         2.80    (#    787:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 787, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 117, 118,
 igr2= 120, 121,
 &end
#
#    8 LYS  HG-           8 LYS  HE-         4.50    (#    789:20  Unique         2.43, 3.13 A)
 &rst
  ixpk= 789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 114, 115,
 igr2= 120, 121,
 &end
#
#    8 LYS  HB-           8 LYS  HE-         4.50    (#    790:20  Unique         2.14, 3.60 A)
 &rst
  ixpk= 790, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 111, 112,
 igr2= 120, 121,
 &end
#
#    0 AMB  20-2:791      0 AMB  20-1:791    2.80    (#    791:20  Double Ambig)
 &rst
  ixpk= 791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 288, 289, 288, 289, 291, 292, 291, 292,
 igr2= 297, 298, 297, 298, 297, 298,
 &end
#
#    0 AMB  20-2:792      0 AMB  20-1:792    2.80    (#    792:20  Double Ambig)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 294, 295,  35,  36,
 igr2= 297, 298, 297, 298, 120, 121,
 &end
#
#    0 AMB  20-2:793      0 AMB  20-1:793    4.50    (#    793:20  Double Ambig)
 &rst
  ixpk= 793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1651,1652,1497,1498,
 igr2=1657,1658,1503,1504,
 &end
#
#   91 VAL  MGX           0 AMB  20-1:794    3.50    (#    794:20  Single Ambig)
 &rst
  ixpk= 794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1434,1435,1436,1438,1439,1440,
 igr2=1503,1504,1503,1504,
 &end
#
#    0 AMB  20-2:795      0 AMB  20-1:795    2.80    (#    795:20  Double Ambig)
 &rst
  ixpk= 795, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1=1052,1053,1052,1053, 198, 199, 198, 199,1150,1151,
      
 igr2=1055,1056, 201, 202,
 &end
#
#    0 AMB  20-2:796      0 AMB  20-1:796    4.50    (#    796:20  Double Ambig)
 &rst
  ixpk= 796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 195, 196,1049,1050,
 igr2= 201, 202,1055,1056,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    6.00    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 195, 196,1049,1050,
 igr2= 201, 202,1055,1056,
 &end
#
#   65 LEU  HG           65 LEU  HB+         6.00    (#    798:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 798, nxpk= 20, iat=1030,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1027,1028,
 &end
#
#   46 LEU  MDY          46 LEU  HB+         6.00    (#    800:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2= 726, 727,
 &end
#
#   46 LEU  MDX          46 LEU  HB+         3.50    (#    801:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2= 726, 727,
 &end
#
#   46 LEU  HA           46 LEU  HB+         4.50    (#    802:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 802, nxpk= 20, iat= 724,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 726, 727,
 &end
#
#   65 LEU  HA           65 LEU  HB-         6.00    (#    803:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 803, nxpk= 20, iat=1025,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1027,1028,
 &end
#
#   46 LEU  HA           46 LEU  HB-         3.50    (#    805:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 805, nxpk= 20, iat= 724,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 726, 727,
 &end
#
#   61 LEU  HA            0 AMB  20-1:806    2.80    (#    806:20  Single Ambig)
 &rst
  ixpk= 806, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 960, 961, 960, 961,
 &end
#
#    0 AMB  20-2:807      0 AMB  20-1:807    2.80    (#    807:20  Double Ambig)
 &rst
  ixpk= 807, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.15, r4= 6.90,
 igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
       970, 971, 865, 866,
 igr2= 960, 961, 960, 961, 960, 961, 960, 961,
 &end
#
#    0 AMB  20-2:808      0 AMB  20-1:808    4.50    (#    808:20  Double Ambig)
 &rst
  ixpk= 808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1648,1649,1648,1649,1494,1495,
 igr2=1657,1658,1503,1504,
 &end
#
#    9 THR  MG2          13 LYS  HE-         4.50    (#    809:20  Unique         2.44, 4.90 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 135, 136, 137,
 igr2= 201, 202,
 &end
#
#    0 AMB  20-2:810      0 AMB  20-1:810    4.50    (#    810:20  Double Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 232, 233, 234, 236, 237, 238, 149, 150, 151, 216,
       217, 218, 220, 221, 222,
 igr2=1248,1249, 201, 202,
 &end
#
#    0 AMB  20-2:811      0 AMB  20-1:811    2.80    (#    811:20  Double Ambig)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 699, 700, 699, 700, 699, 700,
 igr2= 702, 703, 702, 703, 702, 703,
 &end
#
#   40 VAL  MGY           0 AMB  20-1:812    4.50    (#    812:20  Single Ambig)
 &rst
  ixpk= 812, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 624, 625, 626, 628, 629, 630,
 igr2= 702, 703, 702, 703,
 &end
#
#    0 AMB  20-2:813      0 AMB  20-1:813    4.50    (#    813:20  Double Ambig)
 &rst
  ixpk= 813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 693, 694, 693, 694, 693, 694, 696, 697, 696, 697,
      
 igr2= 702, 703, 702, 703, 702, 703, 702, 703,
 &end
#
#    0 AMB  20-2:815      0 AMB  20-1:815    3.50    (#    815:20  Double Ambig)
 &rst
  ixpk= 815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2=1027,1028,1027,1028,1027,1028,
 &end
#
#   48 ALA  MB           46 LEU  HB+         6.00    (#    816:20  Unique         3.13, 5.17 A)
 &rst
  ixpk= 816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 759, 760, 761,
 igr2= 726, 727,
 &end
#
#    0 AMB  20-2:818     65 LEU  HB-         2.80    (#    818:20  Single Ambig)
 &rst
  ixpk= 818, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2=1027,1028,
 &end
#
#    0 AMB  20-2:819      0 AMB  20-1:819    4.50    (#    819:20  Double Ambig)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 912, 913, 912, 913,
 igr2= 960, 961, 960, 961,
 &end
#
#    0 AMB  20-2:820      0 AMB  20-1:820    6.00    (#    820:20  Double Ambig)
 &rst
  ixpk= 820, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2= 960, 961, 960, 961, 960, 961,
 &end
#
#   21 VAL  HB           78 TYR  HB+         6.00    (#    821:20  Unique         2.23, 3.34 A)
 &rst
  ixpk= 821, nxpk= 20, iat= 326,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1248,1249,
 &end
#
#    0 AMB  20-2:822      0 AMB  20-1:822    3.50    (#    822:20  Double Ambig)
 &rst
  ixpk= 822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 781,1246,
 igr2= 783, 784,1248,1249,
 &end
#
#   20 VAL  MGY          50 PHE  HB+         3.50    (#    823:20  Unique         2.27, 4.55 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 312, 313, 314, 316, 317, 318,
 igr2= 783, 784,
 &end
#
#    0 AMB  20-2:824      0 AMB  20-1:824    3.50    (#    824:20  Double Ambig)
 &rst
  ixpk= 824, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 781,1246,
 igr2= 783, 784,1342,1343,
 &end
#
#   29 ASP  HA           29 ASP  HB+         3.50    (#    826:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 826, nxpk= 20, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 463, 464,
 &end
#
#   29 ASP  HA           29 ASP  HB-         3.50    (#    827:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 827, nxpk= 20, iat= 461,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 463, 464,
 &end
#
#    0 AMB  20-2:829      7 LEU  HB-         2.80    (#    829:20  Single Ambig)
 &rst
  ixpk= 829, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.82, r4= 5.57,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:830      0 AMB  20-1:830    4.50    (#    830:20  Double Ambig)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1030,1275,1276,
 igr2=1027,1028,1269,
 &end
#
#    0 AMB  20-2:831      0 AMB  20-1:831    2.80    (#    831:20  Double Ambig)
 &rst
  ixpk= 831, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,
 igr2=  92,  93,  92,  93,  92,  93, 941, 942,
 &end
#
#   84 PHE  HA           84 PHE  HB+         4.50    (#    833:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 833, nxpk= 20, iat=1340,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1342,1343,
 &end
#
#    0 AMB  20-2:836      0 AMB  20-1:836    4.50    (#    836:20  Double Ambig)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1275,1276, 312, 313, 314, 316, 317, 318,1232,
 igr2=1342,1343, 783, 784,
 &end
#
#   60 LEU  HA           60 LEU  HB+         3.50    (#    837:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 837, nxpk= 20, iat= 939,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 941, 942,
 &end
#
#    0 AMB  20-2:839      0 AMB  20-1:839    3.50    (#    839:20  Double Ambig)
 &rst
  ixpk= 839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.78, r4= 9.53,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46, 946, 947, 948, 950, 951, 952, 946,
       947, 948, 950, 951, 952,
 igr2= 941, 942, 941, 942, 941, 942, 941, 942, 941, 942,
      
 &end
#
#   79 ILE  QG2          79 ILE  HB          2.80    (#    840:20  Unique         2.38, 2.67 A)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,1269, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1271,1272,1273,
 &end
#
#   79 ILE  QD1          79 ILE  HB          3.50    (#    841:20  Unique         2.43, 3.19 A)
 &rst
  ixpk= 841, nxpk= 20, iat=  -1,1269, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1278,1279,1280,
 &end
#
#    0 AMB  20-2:843      0 AMB  20-1:843    2.80    (#    843:20  Double Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 939,  90,
 igr2= 941, 942,  92,  93,
 &end
#
#    0 AMB  20-2:845      0 AMB  20-1:845    3.50    (#    845:20  Double Ambig)
 &rst
  ixpk= 845, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 447, 448, 447, 448, 444, 445,
 igr2= 450, 451, 450, 451, 450, 451,
 &end
#
#    0 AMB  20-2:846     28 LYS  HE-         3.50    (#    846:20  Single Ambig)
 &rst
  ixpk= 846, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 447, 448, 447, 448, 444, 445,
 igr2= 450, 451,
 &end
#
#   99 LEU  MDY          99 LEU  HB+         4.50    (#    850:20  Unique         2.42, 3.36 A)
 &rst
  ixpk= 850, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1549,1550,
 &end
#
#   94 TYR  HA           99 LEU  HB-         6.00    (#    852:20  Unique         2.18, 2.87 A)
 &rst
  ixpk= 852, nxpk= 20, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1549,1550,
 &end
#
#   99 LEU  MDY          99 LEU  HB-         4.50    (#    854:20  Unique         2.42, 3.36 A)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1549,1550,
 &end
#
#    0 AMB  20-2:855      0 AMB  20-1:855    6.00    (#    855:20  Double Ambig)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.98, r4=14.73,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 401, 402, 401, 402,
 igr2=1083,1084,1083,1084,1083,1084,1178,1179,1178,1179,
      
 &end
#
#    0 AMB  20-2:856      0 AMB  20-1:856    2.80    (#    856:20  Double Ambig)
 &rst
  ixpk= 856, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1025,1081,
 igr2=1083,1084,1083,1084,1083,1084,
 &end
#
#    0 AMB  20-2:857      0 AMB  20-1:857    3.50    (#    857:20  Double Ambig)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.01, r4= 8.76,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 igr2=1083,1084,1083,1084,1083,1084,1083,1084,
 &end
#
#   56 LEU  HA           56 LEU  HB-         6.00    (#    858:20  Unique         2.50, 2.85 A)
 &rst
  ixpk= 858, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 878, 879,
 &end
#
#   56 LEU  HG           56 LEU  HB-         3.50    (#    859:20  Unique         2.34, 2.58 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 878, 879,
 &end
#
#   99 LEU  HA           99 LEU  HB+         6.00    (#    860:20  Unique         2.45, 2.78 A)
 &rst
  ixpk= 860, nxpk= 20, iat=1547,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1549,1550,
 &end
#
#   94 TYR  HA           99 LEU  HB+         6.00    (#    861:20  Unique         2.18, 2.87 A)
 &rst
  ixpk= 861, nxpk= 20, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1549,1550,
 &end
#
#    0 AMB  20-2:862      0 AMB  20-1:862    4.50    (#    862:20  Double Ambig)
 &rst
  ixpk= 862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1547, 672,
 igr2=1549,1550, 674, 675,
 &end
#
#   43 LEU  MDX          43 LEU  HB+         4.50    (#    864:20  Unique         2.30, 3.30 A)
 &rst
  ixpk= 864, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 674, 675,
 &end
#
#   43 LEU  HG           43 LEU  HB-         6.00    (#    865:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 674, 675,
 &end
#
#   43 LEU  HA           43 LEU  HB-         4.50    (#    866:20  Unique         2.52, 2.81 A)
 &rst
  ixpk= 866, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 674, 675,
 &end
#
#   43 LEU  MDY          43 LEU  HB-         4.50    (#    868:20  Unique         2.30, 3.30 A)
 &rst
  ixpk= 868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 674, 675,
 &end
#
#   43 LEU  MDX          43 LEU  HB-         4.50    (#    869:20  Unique         2.30, 3.30 A)
 &rst
  ixpk= 869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 674, 675,
 &end
#
#   79 ILE  QG2          80 ASP  HB+         4.50    (#    870:20  Unique         2.33, 4.51 A)
 &rst
  ixpk= 870, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1271,1272,1273,
 igr2=1288,1289,
 &end
#
#   80 ASP  HA           80 ASP  HB+         4.50    (#    871:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 871, nxpk= 20, iat=1286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1288,1289,
 &end
#
#  106 ALA  MB           80 ASP  HB+         6.00    (#    873:20  Unique         2.30, 3.93 A)
 &rst
  ixpk= 873, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1670,1671,1672,
 igr2=1288,1289,
 &end
#
#   75 PRO  HA           74 PHE  HB+         4.50    (#    874:20  Unique         2.10, 3.01 A)
 &rst
  ixpk= 874, nxpk= 20, iat=1204,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1178,1179,
 &end
#
#   80 ASP  HA           80 ASP  HB-         4.50    (#    876:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 876, nxpk= 20, iat=1286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1288,1289,
 &end
#
#  106 ALA  MB           80 ASP  HB-         3.50    (#    878:20  Unique         2.30, 3.93 A)
 &rst
  ixpk= 878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1670,1671,1672,
 igr2=1288,1289,
 &end
#
#   79 ILE  QG2          80 ASP  HB-         4.50    (#    879:20  Unique         2.33, 4.51 A)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1271,1272,1273,
 igr2=1288,1289,
 &end
#
#   43 LEU  HG           43 LEU  HB+         6.00    (#    880:20  Unique         2.50, 2.82 A)
 &rst
  ixpk= 880, nxpk= 20, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 674, 675,
 &end
#
#   12 ASP  HA           12 ASP  HB+         3.50    (#    882:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 882, nxpk= 20, iat= 178,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 180, 181,
 &end
#
#    0 AMB  20-2:885      0 AMB  20-1:885    4.50    (#    885:20  Double Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 109, 159,
 igr2= 161, 162, 161, 162,
 &end
#
#   11 LEU  MDY          11 LEU  HB-         4.50    (#    886:20  Unique         2.36, 3.37 A)
 &rst
  ixpk= 886, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 166, 167, 168, 170, 171, 172,
 igr2= 161, 162,
 &end
#
#    0 AMB  20-2:887     11 LEU  HB-         4.50    (#    887:20  Single Ambig)
 &rst
  ixpk= 887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 159,
 igr2= 161, 162,
 &end
#
#   58 ASN  HA           58 ASN  HB+         4.50    (#    889:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 889, nxpk= 20, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 912, 913,
 &end
#
#   88 ASP  HA            0 AMB  20-1:890    3.50    (#    890:20  Single Ambig)
 &rst
  ixpk= 890, nxpk= 20, iat=1385,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1387,1388,1387,1388,
 &end
#
#    0 AMB  20-2:892      0 AMB  20-1:892    4.50    (#    892:20  Double Ambig)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 960, 961, 960, 961, 941, 942,
 igr2= 912, 913, 912, 913, 912, 913,
 &end
#
#    0 AMB  20-2:893      0 AMB  20-1:893    4.50    (#    893:20  Double Ambig)
 &rst
  ixpk= 893, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
       970, 971,
 igr2= 912, 913, 912, 913,
 &end
#
#   58 ASN  HA           58 ASN  HB-         4.50    (#    894:20  Unique         2.43, 2.74 A)
 &rst
  ixpk= 894, nxpk= 20, iat= 910,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 912, 913,
 &end
#
#   55 ILE  QG2          23 PHE  HB+         6.00    (#    896:20  Unique         2.26, 3.87 A)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 861, 862, 863,
 igr2= 361, 362,
 &end
#
#   55 ILE  QG2          23 PHE  HB-         6.00    (#    897:20  Unique         2.26, 3.87 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 861, 862, 863,
 igr2= 361, 362,
 &end
#
#    0 AMB  20-2:898     23 PHE  HB-         6.00    (#    898:20  Single Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2= 361, 362,
 &end
#
#   30 PHE  HA           30 PHE  HB-         4.50    (#    902:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 902, nxpk= 20, iat= 473,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 475, 476,
 &end
#
#   30 PHE  HA           30 PHE  HB+         4.50    (#    903:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 903, nxpk= 20, iat= 473,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 475, 476,
 &end
#
#    0 AMB  20-2:907     35 PHE  HB-         6.00    (#    907:20  Single Ambig)
 &rst
  ixpk= 907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1376,1377, 509, 510,
 igr2= 544, 545,
 &end
#
#   89 ILE  HG1-         89 ILE  HB          6.00    (#    908:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 908, nxpk= 20, iat=  -1,1399, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1405,1406,
 &end
#
#   89 ILE  HG1+         89 ILE  HB          4.50    (#    909:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,1399, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1405,1406,
 &end
#
#   91 VAL  HA           94 TYR  HB-         6.00    (#    910:20  Unique         2.47, 3.23 A)
 &rst
  ixpk= 910, nxpk= 20, iat=1430,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1473,1474,
 &end
#
#   85 GLY  HA+          89 ILE  HB          6.00    (#    911:20  Unique         2.69, 4.77 A)
 &rst
  ixpk= 911, nxpk= 20, iat=  -1,1399, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1360,1361,
 &end
#
#   89 ILE  QD1          89 ILE  HB          4.50    (#    912:20  Unique         2.46, 3.20 A)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,1399, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1408,1409,1410,
 &end
#
#   89 ILE  QG2          89 ILE  HB          3.50    (#    913:20  Unique         2.42, 2.66 A)
 &rst
  ixpk= 913, nxpk= 20, iat=  -1,1399, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1401,1402,1403,
 &end
#
#   94 TYR  HA           94 TYR  HB-         4.50    (#    915:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 915, nxpk= 20, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1473,1474,
 &end
#
#   42 ILE  QG2          94 TYR  HB-         6.00    (#    916:20  Unique         2.41, 3.80 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 657, 658, 659,
 igr2=1473,1474,
 &end
#
#   99 LEU  MDX          94 TYR  HB-         4.50    (#    918:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1473,1474,
 &end
#
#   54 ASN  HA           54 ASN  HB-         6.00    (#    921:20  Unique         2.29, 2.64 A)
 &rst
  ixpk= 921, nxpk= 20, iat= 843,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 845, 846,
 &end
#
#   42 ILE  QD1          39 VAL  HA          4.50    (#    923:20  Unique         2.45, 3.71 A)
 &rst
  ixpk= 923, nxpk= 20, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 664, 665, 666,
 &end
#
#   40 VAL  MGX          40 VAL  HA          2.80    (#    924:20  Unique         2.39, 3.36 A)
 &rst
  ixpk= 924, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:925     40 VAL  HA          4.50    (#    925:20  Single Ambig)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 608, 609, 610, 612, 613, 614, 345, 342, 343,
 &end
#
#   43 LEU  MDX          40 VAL  HA          6.00    (#    926:20  Unique         2.37, 4.99 A)
 &rst
  ixpk= 926, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   42 ILE  QG2          42 ILE  HB          3.50    (#    927:20  Unique         2.41, 2.65 A)
 &rst
  ixpk= 927, nxpk= 20, iat=  -1, 655, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 657, 658, 659,
 &end
#
#   39 VAL  HA           42 ILE  HB          4.50    (#    928:20  Unique         2.11, 2.34 A)
 &rst
  ixpk= 928, nxpk= 20, iat= 604, 655, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   42 ILE  QD1          42 ILE  HB          4.50    (#    929:20  Unique         2.46, 3.13 A)
 &rst
  ixpk= 929, nxpk= 20, iat=  -1, 655, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 664, 665, 666,
 &end
#
#   42 ILE  QD1          91 VAL  HA          3.50    (#    930:20  Unique         2.44, 3.21 A)
 &rst
  ixpk= 930, nxpk= 20, iat=  -1,1430, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 664, 665, 666,
 &end
#
#   91 VAL  HB           91 VAL  HA          4.50    (#    931:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 931, nxpk= 20, iat=1432,1430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGY          91 VAL  HA          2.80    (#    932:20  Unique         2.43, 3.16 A)
 &rst
  ixpk= 932, nxpk= 20, iat=  -1,1430, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#   42 ILE  HB           39 VAL  HA          4.50    (#    933:20  Unique         2.11, 2.34 A)
 &rst
  ixpk= 933, nxpk= 20, iat= 655, 604, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 VAL  MGY          39 VAL  HA          2.80    (#    934:20  Unique         2.29, 3.17 A)
 &rst
  ixpk= 934, nxpk= 20, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#   40 VAL  HB           40 VAL  HA          6.00    (#    935:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 935, nxpk= 20, iat= 622, 620, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   47 ASN  HA           47 ASN  HB+         2.80    (#    937:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 937, nxpk= 20, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 745, 746,
 &end
#
#   47 ASN  HA           47 ASN  HB-         2.80    (#    938:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 938, nxpk= 20, iat= 743,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 745, 746,
 &end
#
#   55 ILE  QD1          55 ILE  HB          4.50    (#    940:20  Unique         2.38, 3.24 A)
 &rst
  ixpk= 940, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 868, 869, 870,
 &end
#
#   55 ILE  HA           55 ILE  HB          3.50    (#    941:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 941, nxpk= 20, iat= 857, 859, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:942     55 ILE  HB          2.80    (#    942:20  Single Ambig)
 &rst
  ixpk= 942, nxpk= 20, iat=  -1, 859, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863,
 &end
#
#    0 AMB  20-2:943      0 AMB  20-1:943    3.50    (#    943:20  Double Ambig)
 &rst
  ixpk= 943, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 606,1617,
 igr2= 604,1615,
 &end
#
#  103 VAL  MGX         103 VAL  HA          3.50    (#    944:20  Unique         2.41, 3.15 A)
 &rst
  ixpk= 944, nxpk= 20, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  106 ALA  MB          103 VAL  HA          4.50    (#    946:20  Unique         2.30, 3.33 A)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1670,1671,1672,
 &end
#
#    0 AMB  20-2:947    103 VAL  HA          2.80    (#    947:20  Single Ambig)
 &rst
  ixpk= 947, nxpk= 20, iat=  -1,1615, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1619,1620,1621,1623,1624,1625,1271,1272,1273,
 &end
#
#   24 MET  HA           24 MET  HB+         6.00    (#    949:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 381, 382,
 &end
#
#   24 MET  HA           24 MET  HB-         6.00    (#    950:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 950, nxpk= 20, iat= 379,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 381, 382,
 &end
#
#   52 SER  HA           52 SER  HB-         4.50    (#    952:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 818, 819,
 &end
#
#    0 AMB  20-2:956     75 PRO  HB-         3.50    (#    956:20  Single Ambig)
 &rst
  ixpk= 956, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 igr2=1201,1202,
 &end
#
#    0 AMB  20-2:957     98 GLU  HG-         4.50    (#    957:20  Single Ambig)
 &rst
  ixpk= 957, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1516,1517,1532,
 igr2=1537,1538,
 &end
#
#    0 AMB  20-2:958      0 AMB  20-1:958    2.80    (#    958:20  Double Ambig)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 979, 980, 979, 980,1534,1535,1534,1535,
 igr2= 982, 983,1537,1538,
 &end
#
#   96 SER  HB-          98 GLU  HG-         3.50    (#    959:20  Unique         2.35, 3.44 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1516,1517,
 igr2=1537,1538,
 &end
#
#    0 AMB  20-2:961      0 AMB  20-1:961    4.50    (#    961:20  Double Ambig)
 &rst
  ixpk= 961, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1066, 562,
 igr2=1071,1072,1201,1202,
 &end
#
#   57 GLU  HA            0 AMB  20-1:962    3.50    (#    962:20  Single Ambig)
 &rst
  ixpk= 962, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2= 900, 901, 900, 901,
 &end
#
#    0 AMB  20-2:963      0 AMB  20-1:963    2.80    (#    963:20  Double Ambig)
 &rst
  ixpk= 963, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1583,1446,1598,
 igr2=1588,1589,1451,1452,1588,1589,1636,1637,
 &end
#
#    0 AMB  20-2:964      0 AMB  20-1:964    2.80    (#    964:20  Double Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1633,1634,1633,1634,1585,1586,1585,1586,1448,1449,
      1448,1449,
 igr2=1636,1637,1636,1637,1588,1589,1588,1589,1451,1452,
      1451,1452,
 &end
#
#   57 GLU  HB-           0 AMB  20-1:965    2.80    (#    965:20  Single Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 897, 898,
 igr2= 900, 901, 900, 901,
 &end
#
#    0 AMB  20-2:966      0 AMB  20-1:966    3.50    (#    966:20  Double Ambig)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1583,1446,
 igr2=1588,1589,1451,1452,
 &end
#
#   67 GLU  HA           67 GLU  HG-         4.50    (#    968:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1071,1072,
 &end
#
#   59 GLU  HA           59 GLU  HG+         3.50    (#    969:20  Unique         2.36, 3.04 A)
 &rst
  ixpk= 969, nxpk= 20, iat= 924,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 929, 930,
 &end
#
#    0 AMB  20-2:970      0 AMB  20-1:970    2.80    (#    970:20  Double Ambig)
 &rst
  ixpk= 970, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1307,1308, 926, 927, 926, 927,
 igr2=1310,1311, 929, 930, 929, 930,
 &end
#
#   82 GLU  HA           82 GLU  HG-         4.50    (#    971:20  Unique         2.38, 3.05 A)
 &rst
  ixpk= 971, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1310,1311,
 &end
#
#    0 AMB  20-2:972     42 ILE  HA          2.80    (#    972:20  Single Ambig)
 &rst
  ixpk= 972, nxpk= 20, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 661, 662, 657, 658, 659,
 &end
#
#   42 ILE  HG1-         42 ILE  HA          3.50    (#    973:20  Unique         2.39, 2.55 A)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 661, 662,
 &end
#
#   78 TYR  HB+          21 VAL  HB          4.50    (#    974:20  Unique         2.23, 3.34 A)
 &rst
  ixpk= 974, nxpk= 20, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1248,1249,
 &end
#
#   21 VAL  MGX          21 VAL  HB          2.80    (#    975:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   21 VAL  MGY          21 VAL  HB          2.80    (#    976:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1, 326, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   53 VAL  MGX          53 VAL  HB          2.80    (#    977:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1, 829, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 831, 832, 833, 835, 836, 837,
 &end
#
#   53 VAL  MGY          53 VAL  HB          2.80    (#    978:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1, 829, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 831, 832, 833, 835, 836, 837,
 &end
#
#   46 LEU  MDY         100 GLN  HG+         4.50    (#    980:20  Unique         2.23, 4.47 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1571,1572,
 &end
#
#  100 GLN  HA          100 GLN  HG-         3.50    (#    981:20  Unique         2.43, 2.97 A)
 &rst
  ixpk= 981, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1571,1572,
 &end
#
#   46 LEU  MDX         100 GLN  HG-         6.00    (#    982:20  Unique         2.23, 4.47 A)
 &rst
  ixpk= 982, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1571,1572,
 &end
#
#   46 LEU  MDY         100 GLN  HG-         3.50    (#    983:20  Unique         2.23, 4.47 A)
 &rst
  ixpk= 983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2=1571,1572,
 &end
#
#   32 GLN  HB-           0 AMB  20-1:984    2.80    (#    984:20  Single Ambig)
 &rst
  ixpk= 984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 509, 510,
 igr2= 512, 513, 512, 513,
 &end
#
#   26 GLY  HA-           0 AMB  20-1:985    6.00    (#    985:20  Single Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 418, 419,
 igr2= 512, 513, 512, 513,
 &end
#
#   23 PHE  HA           53 VAL  HB          4.50    (#    986:20  Unique         2.48, 2.77 A)
 &rst
  ixpk= 986, nxpk= 20, iat= 359, 829, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 GLN  HA           41 GLN  HG-         4.50    (#    987:20  Unique         2.46, 3.00 A)
 &rst
  ixpk= 987, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 641, 642,
 &end
#
#   41 GLN  HB+          41 GLN  HG-         2.80    (#    988:20  Unique         2.38, 2.73 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 638, 639,
 igr2= 641, 642,
 &end
#
#    0 AMB  20-2:989      0 AMB  20-1:989    2.80    (#    989:20  Double Ambig)
 &rst
  ixpk= 989, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 418, 419, 418, 419, 507,
 igr2= 512, 513, 512, 513, 512, 513,
 &end
#
#   51 GLU  HB-          51 GLU  HG+         4.50    (#    991:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 803, 804,
 igr2= 806, 807,
 &end
#
#   53 VAL  MGX          51 GLU  HG+         6.00    (#    992:20  Unique         2.35, 6.02 A)
 &rst
  ixpk= 992, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 806, 807,
 &end
#
#   51 GLU  HB-          51 GLU  HG-         4.50    (#    994:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 803, 804,
 igr2= 806, 807,
 &end
#
#   33 CYS  HA           33 CYS  HB-         4.50    (#    995:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 995, nxpk= 20, iat= 524,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 526, 527,
 &end
#
#   21 VAL  MGY          18 HIS  HB+         4.50    (#    998:20  Unique         2.42, 5.51 A)
 &rst
  ixpk= 998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 271, 272,
 &end
#
#   21 VAL  MGY          18 HIS  HB-         4.50    (#   1001:20  Unique         2.42, 5.51 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 271, 272,
 &end
#
#  102 GLN  HA          102 GLN  HG-         4.50    (#   1002:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 1002, nxpk= 20, iat=1598,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1603,1604,
 &end
#
#   69 SER  HA           69 SER  HB-         4.50    (#   1004:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1004, nxpk= 20, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1104,1105,
 &end
#
#  102 GLN  HA          102 GLN  HG+         6.00    (#   1006:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 1006, nxpk= 20, iat=1598,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1603,1604,
 &end
#
#    0 AMB  20-2:1007     0 AMB  20-1:1007   2.80    (#   1007:20  Double Ambig)
 &rst
  ixpk= 1007, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1600,1601,1600,1601,
 igr2=1603,1604,1603,1604,
 &end
#
#   50 PHE  HB+          20 VAL  HB          6.00    (#   1008:20  Unique         2.41, 4.32 A)
 &rst
  ixpk= 1008, nxpk= 20, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 783, 784,
 &end
#
#    0 AMB  20-2:1009    20 VAL  HB          2.80    (#   1009:20  Single Ambig)
 &rst
  ixpk= 1009, nxpk= 20, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 312, 313, 314, 316, 317, 318,1275,1276,
 &end
#
#   50 PHE  HA           20 VAL  HB          4.50    (#   1010:20  Unique         2.27, 3.32 A)
 &rst
  ixpk= 1010, nxpk= 20, iat= 781, 310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   20 VAL  MGX          20 VAL  HB          2.80    (#   1011:20  Unique         2.38, 2.65 A)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1, 310, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 312, 313, 314, 316, 317, 318,
 &end
#
#    0 AMB  20-2:1012     0 AMB  20-1:1012   2.80    (#   1012:20  Double Ambig)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 495, 496, 575, 576,
 igr2= 578, 579, 578, 579, 578, 579,
 &end
#
#    0 AMB  20-2:1013     0 AMB  20-1:1013   4.50    (#   1013:20  Double Ambig)
 &rst
  ixpk= 1013, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 495, 496, 495, 496, 498, 499, 498, 499,
 igr2= 578, 579, 578, 579, 578, 579,
 &end
#
#   37 GLN  HA            0 AMB  20-1:1014   2.80    (#   1014:20  Single Ambig)
 &rst
  ixpk= 1014, nxpk= 20, iat= 573,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  20-2:1015     0 AMB  20-1:1015   2.80    (#   1015:20  Double Ambig)
 &rst
  ixpk= 1015, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1003,1004,1003,1004,1003,1004,
 igr2=1006,1007,1006,1007,1006,1007,
 &end
#
#   19 LYS  HA           19 LYS  HB+         4.50    (#   1016:20  Unique         2.33, 2.74 A)
 &rst
  ixpk= 1016, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#   63 GLN  HA            0 AMB  20-1:1017   4.50    (#   1017:20  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1006,1007,1006,1007,
 &end
#
#   19 LYS  HA           19 LYS  HB-         4.50    (#   1018:20  Unique         2.33, 2.74 A)
 &rst
  ixpk= 1018, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 288, 289,
 &end
#
#    0 AMB  20-2:1020    19 LYS  HB-         3.50    (#   1020:20  Single Ambig)
 &rst
  ixpk= 1020, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 294, 295, 291, 292,
 igr2= 288, 289,
 &end
#
#   82 GLU  HG+          82 GLU  HB+         2.80    (#   1021:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1310,1311,
 igr2=1307,1308,
 &end
#
#   82 GLU  HA           82 GLU  HB+         4.50    (#   1023:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1307,1308,
 &end
#
#   82 GLU  HG-          82 GLU  HB+         2.80    (#   1024:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1310,1311,
 igr2=1307,1308,
 &end
#
#   82 GLU  HG-          82 GLU  HB-         2.80    (#   1026:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1310,1311,
 igr2=1307,1308,
 &end
#
#   82 GLU  HA           82 GLU  HB-         4.50    (#   1027:20  Unique         2.37, 2.76 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1307,1308,
 &end
#
#   82 GLU  HG+          82 GLU  HB-         2.80    (#   1028:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1310,1311,
 igr2=1307,1308,
 &end
#
#    0 AMB  20-2:1029     0 AMB  20-1:1029   3.50    (#   1029:20  Double Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 447, 448, 447, 448, 444, 445,
 igr2= 441, 442, 441, 442, 441, 442,
 &end
#
#   28 LYS  HG+          28 LYS  HB-         4.50    (#   1030:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 1030, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 444, 445,
 igr2= 441, 442,
 &end
#
#    0 AMB  20-2:1031    28 LYS  HB-         2.80    (#   1031:20  Single Ambig)
 &rst
  ixpk= 1031, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 447, 448, 447, 448, 444, 445,
 igr2= 441, 442,
 &end
#
#   73 THR  HG1          72 PRO  HB-         4.50    (#   1033:20  Unique         2.86, 4.92 A)
 &rst
  ixpk= 1033, nxpk= 20, iat=1170,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1153,1154,
 &end
#
#    0 AMB  20-2:1035     0 AMB  20-1:1035   4.50    (#   1035:20  Double Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 573,1492,
 igr2= 498, 499,1494,1495,
 &end
#
#   41 GLN  HA            0 AMB  20-1:1036   4.50    (#   1036:20  Single Ambig)
 &rst
  ixpk= 1036, nxpk= 20, iat= 636,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:1037     0 AMB  20-1:1037   2.80    (#   1037:20  Double Ambig)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.13, r4= 7.88,
 igr1= 388, 389, 390, 699, 700, 699, 700, 699, 700,1500,
      1501,1500,1501,1654,1655,1654,1655,
 igr2= 498, 499, 693, 694, 693, 694, 693, 694,1494,1495,
      1494,1495,1648,1649,1648,1649,
 &end
#
#   44 LYS  HA            0 AMB  20-1:1038   2.80    (#   1038:20  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 20, iat= 691,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2= 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:1039     0 AMB  20-1:1039   2.80    (#   1039:20  Double Ambig)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1598,1646,1446,
 igr2=1648,1649,1648,1649,1648,1649,1494,1495,
 &end
#
#    0 AMB  20-2:1040     0 AMB  20-1:1040   6.00    (#   1040:20  Double Ambig)
 &rst
  ixpk= 1040, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.40, r4=13.15,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  38,
 igr2= 111, 112, 111, 112, 111, 112,
 &end
#
#   66 LYS  HA           66 LYS  HB+         4.50    (#   1042:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1046,1047,
 &end
#
#   40 VAL  MGY          28 LYS  HB+         6.00    (#   1043:20  Unique         3.39, 7.54 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 624, 625, 626, 628, 629, 630,
 igr2= 441, 442,
 &end
#
#    0 AMB  20-2:1045     0 AMB  20-1:1045   4.50    (#   1045:20  Double Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 401, 402, 401, 402, 881,
 igr2= 398, 399, 398, 399, 398, 399,
 &end
#
#  107 MET  HA          107 MET  HG-         6.00    (#   1047:20  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1047, nxpk= 20, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1683,1684,
 &end
#
#    0 AMB  20-2:1048   107 MET  HG-         2.80    (#   1048:20  Single Ambig)
 &rst
  ixpk= 1048, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1680,1681, 769, 770,
 igr2=1683,1684,
 &end
#
#   76 GLN  HA            0 AMB  20-1:1050   6.00    (#   1050:20  Single Ambig)
 &rst
  ixpk= 1050, nxpk= 20, iat=1210,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1212,1213,1212,1213,
 &end
#
#   71 TRP  HA           71 TRP  HB-         6.00    (#   1051:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1126,1127,
 &end
#
#  107 MET  HA          107 MET  HB+         3.50    (#   1053:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1680,1681,
 &end
#
#   72 PRO  HA           72 PRO  HB-         4.50    (#   1055:20  Unique         2.28, 2.52 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1153,1154,
 &end
#
#   31 PRO  HA           31 PRO  HB+         4.50    (#   1056:20  Unique         2.30, 2.54 A)
 &rst
  ixpk= 1056, nxpk= 20, iat= 501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 498, 499,
 &end
#
#   40 VAL  MGY          31 PRO  HB+         4.50    (#   1057:20  Unique         2.44, 5.10 A)
 &rst
  ixpk= 1057, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 624, 625, 626, 628, 629, 630,
 igr2= 498, 499,
 &end
#
#    0 AMB  20-2:1058     0 AMB  20-1:1058   4.50    (#   1058:20  Double Ambig)
 &rst
  ixpk= 1058, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 573, 109,1170,
 igr2= 498, 499, 111, 112,1153,1154,
 &end
#
#   88 ASP  HA           91 VAL  HB          4.50    (#   1059:20  Unique         2.52, 2.72 A)
 &rst
  ixpk= 1059, nxpk= 20, iat=1385,1432, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGX          91 VAL  HB          2.80    (#   1060:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,1432, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#   14 VAL  HA           14 VAL  HB          2.80    (#   1061:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 1061, nxpk= 20, iat= 212, 214, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1062     0 AMB  20-1:1062   2.80    (#   1062:20  Double Ambig)
 &rst
  ixpk= 1062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.18, r4= 5.93,
 igr1= 190,  65,  66,  65,  66,
 igr2= 192, 193, 192, 193,  71,  72,  71,  72,
 &end
#
#   13 LYS  HG-           0 AMB  20-1:1063   3.50    (#   1063:20  Single Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 195, 196,
 igr2= 192, 193, 192, 193,
 &end
#
#   31 PRO  HA           31 PRO  HB-         4.50    (#   1064:20  Unique         2.30, 2.54 A)
 &rst
  ixpk= 1064, nxpk= 20, iat= 501,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 498, 499,
 &end
#
#    5 PRO  HA            5 PRO  HB-         2.80    (#   1065:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1065, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  71,  72,
 &end
#
#    0 AMB  20-2:1066     5 PRO  HB-         4.50    (#   1066:20  Single Ambig)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  65,  66,  65,  66,
 igr2=  71,  72,
 &end
#
#    5 PRO  HG+           5 PRO  HB-         4.50    (#   1067:20  Unique         2.38, 2.63 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  68,  69,
 igr2=  71,  72,
 &end
#
#    5 PRO  HA            5 PRO  HB+         4.50    (#   1069:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  71,  72,
 &end
#
#   51 GLU  HA           51 GLU  HB-         4.50    (#   1071:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1071, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:1072     0 AMB  20-1:1072   2.80    (#   1072:20  Double Ambig)
 &rst
  ixpk= 1072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 269, 775,
 igr2= 772, 773, 772, 773,
 &end
#
#   40 VAL  HA           40 VAL  HB          6.00    (#   1074:20  Unique         2.31, 2.67 A)
 &rst
  ixpk= 1074, nxpk= 20, iat= 620, 622, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1075     0 AMB  20-1:1075   2.80    (#   1075:20  Double Ambig)
 &rst
  ixpk= 1075, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 624, 625, 626, 628, 629, 630, 232, 233, 234, 236,
       237, 238,
 igr2= 622, 230,
 &end
#
#   15 VAL  HA           15 VAL  HB          2.80    (#   1076:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1076, nxpk= 20, iat= 228, 230, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 VAL  MGY          15 VAL  HB          2.80    (#   1077:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1, 230, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#  103 VAL  MGX         103 VAL  HB          2.80    (#   1078:20  Unique         2.41, 2.68 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1,1617, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1619,1620,1621,1623,1624,1625,
 &end
#
#  100 GLN  HA          103 VAL  HB          4.50    (#   1079:20  Unique         2.37, 2.85 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=1566,1617, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1080     0 AMB  20-1:1080   4.50    (#   1080:20  Double Ambig)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 604,1615,
 igr2= 606,1617,
 &end
#
#    0 AMB  20-2:1081    49 PRO  HB-         3.50    (#   1081:20  Single Ambig)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 269, 775,
 igr2= 772, 773,
 &end
#
#   49 PRO  HD-          49 PRO  HB-         4.50    (#   1082:20  Unique         2.82, 3.70 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 766, 767,
 igr2= 772, 773,
 &end
#
#   51 GLU  HA           51 GLU  HB+         6.00    (#   1084:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1084, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 803, 804,
 &end
#
#   51 GLU  HG+          51 GLU  HB+         3.50    (#   1085:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 806, 807,
 igr2= 803, 804,
 &end
#
#   21 VAL  MGY          51 GLU  HB+         6.00    (#   1087:20  Unique         2.17, 4.53 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 803, 804,
 &end
#
#   51 GLU  HG+          51 GLU  HB-         3.50    (#   1088:20  Unique         2.33, 2.60 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 806, 807,
 igr2= 803, 804,
 &end
#
#    0 AMB  20-2:1090     0 AMB  20-1:1090   2.80    (#   1090:20  Double Ambig)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.82, r4= 5.57,
 igr1= 608, 609, 610, 612, 613, 614, 624, 625, 626, 628,
       629, 630,1552,
 igr2= 606,1617,
 &end
#
#    0 AMB  20-2:1091     0 AMB  20-1:1091   4.50    (#   1091:20  Double Ambig)
 &rst
  ixpk= 1091, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 960, 961, 960, 961, 960, 961,
 igr2= 979, 980, 979, 980, 979, 980,
 &end
#
#   57 GLU  HA           57 GLU  HB+         4.50    (#   1093:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1093, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 897, 898,
 &end
#
#   93 ALA  HA            0 AMB  20-1:1094   4.50    (#   1094:20  Single Ambig)
 &rst
  ixpk= 1094, nxpk= 20, iat=1461,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1534,1535,1534,1535,
 &end
#
#   98 GLU  HA            0 AMB  20-1:1095   2.80    (#   1095:20  Single Ambig)
 &rst
  ixpk= 1095, nxpk= 20, iat=1532,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1534,1535,1534,1535,
 &end
#
#    0 AMB  20-2:1096     0 AMB  20-1:1096   2.80    (#   1096:20  Double Ambig)
 &rst
  ixpk= 1096, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1537,1538,1537,1538,
 igr2=1534,1535,1534,1535,
 &end
#
#   98 GLU  HG-           0 AMB  20-1:1097   2.80    (#   1097:20  Single Ambig)
 &rst
  ixpk= 1097, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1537,1538,
 igr2=1534,1535,1534,1535,
 &end
#
#   93 ALA  MB            0 AMB  20-1:1098   2.80    (#   1098:20  Single Ambig)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1463,1464,1465,
 igr2=1534,1535,1534,1535,
 &end
#
#   57 GLU  HA           57 GLU  HB-         6.00    (#   1099:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1099, nxpk= 20, iat= 895,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 897, 898,
 &end
#
#   67 GLU  HA            0 AMB  20-1:1101   2.80    (#   1101:20  Single Ambig)
 &rst
  ixpk= 1101, nxpk= 20, iat=1066,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1068,1069,1068,1069,
 &end
#
#    0 AMB  20-2:1102     0 AMB  20-1:1102   2.80    (#   1102:20  Double Ambig)
 &rst
  ixpk= 1102, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1071,1072,1071,1072,
 igr2=1068,1069,1068,1069,
 &end
#
#    0 AMB  20-2:1103     0 AMB  20-1:1103   6.00    (#   1103:20  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 igr2=1068,1069,1068,1069,1068,1069,
 &end
#
#    0 AMB  20-2:1107     0 AMB  20-1:1107   3.50    (#   1107:20  Double Ambig)
 &rst
  ixpk= 1107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 507, 418, 419,
 igr2= 509, 510, 509, 510,
 &end
#
#    0 AMB  20-2:1108     0 AMB  20-1:1108   2.80    (#   1108:20  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 512, 513, 512, 513,
 igr2= 509, 510, 509, 510,
 &end
#
#    0 AMB  20-2:1110    32 GLN  HB-         4.50    (#   1110:20  Single Ambig)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 507, 418, 419,
 igr2= 509, 510,
 &end
#
#    0 AMB  20-2:1112    32 GLN  HB-         3.50    (#   1112:20  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 512, 513, 512, 513,
 igr2= 509, 510,
 &end
#
#    0 AMB  20-2:1113     0 AMB  20-1:1113   2.80    (#   1113:20  Double Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 929, 930, 929, 930,
 igr2= 926, 927, 926, 927,
 &end
#
#    0 AMB  20-2:1114     0 AMB  20-1:1114   2.80    (#   1114:20  Double Ambig)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.81, r4= 6.56,
 igr1= 693, 694, 693, 694, 693, 694, 696, 697, 696, 697,
      
 igr2= 699, 700, 699, 700, 699, 700, 699, 700,
 &end
#
#   89 ILE  HB           89 ILE  HG1-        6.00    (#   1115:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1405,1406,
 &end
#
#   89 ILE  QG2          89 ILE  HG1-        6.00    (#   1116:20  Unique         2.39, 3.55 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1401,1402,1403,
 igr2=1405,1406,
 &end
#
#   95 LYS  HA            0 AMB  20-1:1117   6.00    (#   1117:20  Single Ambig)
 &rst
  ixpk= 1117, nxpk= 20, iat=1492,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1500,1501,1500,1501,
 &end
#
#   89 ILE  HA           89 ILE  HG1-        4.50    (#   1118:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1118, nxpk= 20, iat=1397,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1405,1406,
 &end
#
#   89 ILE  QD1          89 ILE  HG1-        3.50    (#   1120:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1408,1409,1410,
 igr2=1405,1406,
 &end
#
#   89 ILE  HB           89 ILE  HG1+        3.50    (#   1121:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1405,1406,
 &end
#
#   89 ILE  QG2          89 ILE  HG1+        4.50    (#   1122:20  Unique         2.39, 3.55 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1401,1402,1403,
 igr2=1405,1406,
 &end
#
#   89 ILE  HA           89 ILE  HG1+        4.50    (#   1123:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=1397,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1405,1406,
 &end
#
#   89 ILE  QD1          89 ILE  HG1+        3.50    (#   1125:20  Unique         2.37, 2.66 A)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1408,1409,1410,
 igr2=1405,1406,
 &end
#
#    0 AMB  20-2:1126     0 AMB  20-1:1126   2.80    (#   1126:20  Double Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 924,1583,
 igr2= 985, 986, 985, 986,1585,1586,1585,1586,1633,1634,
      
 &end
#
#   91 VAL  MGX           0 AMB  20-1:1127   4.50    (#   1127:20  Single Ambig)
 &rst
  ixpk= 1127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1434,1435,1436,1438,1439,1440,
 igr2=1500,1501,1500,1501,
 &end
#
#    0 AMB  20-2:1128     0 AMB  20-1:1128   2.80    (#   1128:20  Double Ambig)
 &rst
  ixpk= 1128, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1657,1658,1657,1658,1503,1504,1503,1504,
 igr2=1654,1655,1654,1655,1500,1501,1500,1501,
 &end
#
#    0 AMB  20-2:1129     0 AMB  20-1:1129   2.80    (#   1129:20  Double Ambig)
 &rst
  ixpk= 1129, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 114, 115,1497,1498,1497,1498,
 igr2= 117, 118,1500,1501,1500,1501,
 &end
#
#    0 AMB  20-2:1130     0 AMB  20-1:1130   4.50    (#   1130:20  Double Ambig)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1646,1446,1598,
 igr2=1654,1655,1654,1655,1500,1501,1500,1501,1654,1655,
      
 &end
#
#   42 ILE  HA           42 ILE  HG1-        4.50    (#   1131:20  Unique         2.39, 2.55 A)
 &rst
  ixpk= 1131, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 661, 662,
 &end
#
#  104 GLU  HA          104 GLU  HB-         2.80    (#   1132:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1132, nxpk= 20, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1633,1634,
 &end
#
#    8 LYS  HE+           8 LYS  HD+         2.80    (#   1133:20  Unique         2.36, 2.77 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 120, 121,
 igr2= 117, 118,
 &end
#
#    8 LYS  HG+           8 LYS  HD+         2.80    (#   1134:20  Unique         2.36, 2.66 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 114, 115,
 igr2= 117, 118,
 &end
#
#   13 LYS  HA            0 AMB  20-1:1135   6.00    (#   1135:20  Single Ambig)
 &rst
  ixpk= 1135, nxpk= 20, iat= 190,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2= 198, 199, 198, 199,
 &end
#
#    0 AMB  20-2:1136     0 AMB  20-1:1136   2.80    (#   1136:20  Double Ambig)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1=1055,1056, 201, 202,
 igr2=1052,1053,1052,1053, 198, 199, 198, 199,
 &end
#
#   42 ILE  QD1          42 ILE  HG1-        3.50    (#   1137:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 664, 665, 666,
 igr2= 661, 662,
 &end
#
#   42 ILE  QD1          42 ILE  HG1+        4.50    (#   1139:20  Unique         2.38, 2.66 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 664, 665, 666,
 igr2= 661, 662,
 &end
#
#   42 ILE  HA           42 ILE  HG1+        6.00    (#   1140:20  Unique         2.39, 2.55 A)
 &rst
  ixpk= 1140, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 661, 662,
 &end
#
#    0 AMB  20-2:1142     0 AMB  20-1:1142   2.80    (#   1142:20  Double Ambig)
 &rst
  ixpk= 1142, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 195, 196,1049,1050,
 igr2= 198, 199, 198, 199,1052,1053,1052,1053,
 &end
#
#   19 LYS  HA           19 LYS  HD+         4.50    (#   1143:20  Unique         2.18, 3.72 A)
 &rst
  ixpk= 1143, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:1144     0 AMB  20-1:1144   3.50    (#   1144:20  Double Ambig)
 &rst
  ixpk= 1144, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 297, 298, 297, 298,
 igr2= 294, 295, 294, 295,
 &end
#
#    0 AMB  20-2:1145     0 AMB  20-1:1145   2.80    (#   1145:20  Double Ambig)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 288, 289, 291, 292,
 igr2= 294, 295, 294, 295,
 &end
#
#   19 LYS  HA           19 LYS  HD-         4.50    (#   1147:20  Unique         2.18, 3.72 A)
 &rst
  ixpk= 1147, nxpk= 20, iat= 286,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 294, 295,
 &end
#
#    0 AMB  20-2:1148    19 LYS  HD-         4.50    (#   1148:20  Single Ambig)
 &rst
  ixpk= 1148, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 297, 298, 297, 298,
 igr2= 294, 295,
 &end
#
#   34 GLY  HA+          37 GLN  HB+         4.50    (#   1150:20  Unique         2.28, 5.04 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 535, 536,
 igr2= 575, 576,
 &end
#
#   78 TYR  HA           83 PHE  HA          4.50    (#   1153:20  Unique         2.04, 2.24 A)
 &rst
  ixpk= 1153, nxpk= 20, iat=1246,1320, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLN  HA           63 GLN  HB+         4.50    (#   1154:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1154, nxpk= 20, iat=1001,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1003,1004,
 &end
#
#    0 AMB  20-2:1155     0 AMB  20-1:1155   2.80    (#   1155:20  Double Ambig)
 &rst
  ixpk= 1155, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1006,1007,1006,1007,
 igr2=1003,1004,1003,1004,
 &end
#
#    0 AMB  20-2:1156     0 AMB  20-1:1156   4.50    (#   1156:20  Double Ambig)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1001,  74,
 igr2=1003,1004,  68,  69,
 &end
#
#   22 LEU  HB+          22 LEU  HG          3.50    (#   1157:20  Unique         2.29, 2.40 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=  -1, 345, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 342, 343,
 &end
#
#   40 VAL  MGX          22 LEU  HG          2.80    (#   1159:20  Unique         2.28, 4.51 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1, 345, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#   43 LEU  MDX          22 LEU  HG          4.50    (#   1160:20  Unique         3.42, 6.48 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1, 345, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 679, 680, 681, 683, 684, 685,
 &end
#
#   94 TYR  HA           99 LEU  MDX         4.50    (#   1161:20  Unique         3.19, 5.14 A)
 &rst
  ixpk= 1161, nxpk= 20, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:1162    99 LEU  MDX         6.00    (#   1162:20  Single Ambig)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1547, 672,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   94 TYR  HB-          99 LEU  MDX         4.50    (#   1163:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1473,1474,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:1164    99 LEU  MDX         2.80    (#   1164:20  Single Ambig)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1552,1549,1550,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   90 THR  MG2          99 LEU  MDX         2.80    (#   1165:20  Unique         2.25, 4.05 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1420,1421,1422,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   77 LEU  MDX          99 LEU  MDX         3.50    (#   1166:20  Unique         2.35, 5.52 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   43 LEU  MDY          99 LEU  MDX         4.50    (#   1167:20  Unique         2.30, 5.34 A)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#  108 CYS  HA            0 AMB  20-1:1169   2.80    (#   1169:20  Single Ambig)
 &rst
  ixpk= 1169, nxpk= 20, iat=1695,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1697,1698,1697,1698,
 &end
#
#    0 AMB  20-2:1170     0 AMB  20-1:1170   2.80    (#   1170:20  Double Ambig)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1= 636,  65,  66,  65,  66,
 igr2= 638, 639,  68,  69,  68,  69,
 &end
#
#    0 AMB  20-2:1171     0 AMB  20-1:1171   2.80    (#   1171:20  Double Ambig)
 &rst
  ixpk= 1171, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.61, r4= 5.36,
 igr1= 636,  65,  66,  65,  66,
 igr2= 638, 639,  68,  69,
 &end
#
#    0 AMB  20-2:1172    63 GLN  HB-         2.80    (#   1172:20  Single Ambig)
 &rst
  ixpk= 1172, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1006,1007,1006,1007,
 igr2=1003,1004,
 &end
#
#  109 SER  HA            0 AMB  20-1:1173   8.00    (#   1173:20  Single Ambig)
 &rst
  ixpk= 1173, nxpk= 20, iat=1706,  -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
 igr2=1600,1601,1600,1601,
 &end
#
#    0 AMB  20-2:1174     0 AMB  20-1:1174   2.80    (#   1174:20  Double Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1603,1604,1603,1604,
 igr2=1600,1601,1600,1601,
 &end
#
#  102 GLN  HA            0 AMB  20-1:1175   3.50    (#   1175:20  Single Ambig)
 &rst
  ixpk= 1175, nxpk= 20, iat=1598,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1600,1601,1600,1601,
 &end
#
#   79 ILE  QD1           0 AMB  20-1:1176   4.50    (#   1176:20  Single Ambig)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1278,1279,1280,
 igr2=1600,1601,1600,1601,
 &end
#
#    0 AMB  20-2:1177     0 AMB  20-1:1177   3.50    (#   1177:20  Double Ambig)
 &rst
  ixpk= 1177, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.38, r4= 8.13,
 igr1=1619,1620,1621,1623,1624,1625,1271,1272,1273,1275,
      1276,
 igr2=1600,1601,1600,1601,1600,1601,1600,1601,
 &end
#
#  102 GLN  HA            0 AMB  20-1:1178   3.50    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat=1598,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1600,1601,1600,1601,
 &end
#
#    0 AMB  20-2:1179     0 AMB  20-1:1179   6.00    (#   1179:20  Double Ambig)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1027,1028,1307,1308,
 igr2=1030,1275,1276,
 &end
#
#    0 AMB  20-2:1180    65 LEU  HG          2.80    (#   1180:20  Single Ambig)
 &rst
  ixpk= 1180, nxpk= 20, iat=  -1,1030, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1181     0 AMB  20-1:1181   3.50    (#   1181:20  Double Ambig)
 &rst
  ixpk= 1181, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1027,1028,1269,
 igr2=1030,1275,1276,
 &end
#
#    0 AMB  20-2:1182    99 LEU  MDX         3.50    (#   1182:20  Single Ambig)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1549,1550,1463,1464,1465,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:1183     0 AMB  20-1:1183   6.00    (#   1183:20  Double Ambig)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=  54,  52,
 igr2=  68,  69,  68,  69,
 &end
#
#   31 PRO  HD+          31 PRO  HG-         3.50    (#   1185:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#  102 GLN  HG-           0 AMB  20-1:1186   2.80    (#   1186:20  Single Ambig)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1603,1604,
 igr2=1600,1601,1600,1601,
 &end
#
#   31 PRO  HD+          31 PRO  HG+         4.50    (#   1187:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 492, 493,
 igr2= 495, 496,
 &end
#
#   79 ILE  HA           79 ILE  HG1+        4.50    (#   1190:20  Unique         2.68, 3.25 A)
 &rst
  ixpk= 1190, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1275,1276,
 &end
#
#   79 ILE  QD1          79 ILE  HG1+        3.50    (#   1191:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1191, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1278,1279,1280,
 igr2=1275,1276,
 &end
#
#   49 PRO  HD-          49 PRO  HG+         3.50    (#   1192:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:1193     0 AMB  20-1:1193   6.00    (#   1193:20  Double Ambig)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 269, 775,
 igr2= 769, 770, 769, 770,
 &end
#
#   49 PRO  HD+          49 PRO  HG-         3.50    (#   1194:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:1195     0 AMB  20-1:1195   4.50    (#   1195:20  Double Ambig)
 &rst
  ixpk= 1195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 269, 501, 775,
 igr2= 769, 770, 495, 496,
 &end
#
#    0 AMB  20-2:1196     0 AMB  20-1:1196   2.80    (#   1196:20  Double Ambig)
 &rst
  ixpk= 1196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 766, 767,1566,
 igr2= 769, 770,1568,1569,
 &end
#
#    0 AMB  20-2:1197     0 AMB  20-1:1197   3.50    (#   1197:20  Double Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1566,1547,
 igr2=1568,1569,1600,1601,1600,1601,
 &end
#
#    0 AMB  20-2:1201     0 AMB  20-1:1201   2.80    (#   1201:20  Double Ambig)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 883, 884, 885, 887, 888, 889, 965, 966, 967, 969,
       970, 971,
 igr2= 404, 405, 963,
 &end
#
#   90 THR  MG2          77 LEU  MDX         3.50    (#   1202:20  Unique         2.19, 4.80 A)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1420,1421,1422,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#    0 AMB  20-2:1203    77 LEU  MDX         4.50    (#   1203:20  Single Ambig)
 &rst
  ixpk= 1203, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1= 312, 313, 314, 316, 317, 318, 608, 609, 610, 612,
       613, 614, 342, 343,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   43 LEU  MDY          77 LEU  MDX         4.50    (#   1204:20  Unique         2.14, 4.42 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   79 ILE  QD1          77 LEU  MDX         3.50    (#   1205:20  Unique         2.30, 5.12 A)
 &rst
  ixpk= 1205, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1278,1279,1280,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#    0 AMB  20-2:1206    77 LEU  MDX         4.50    (#   1206:20  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1229,1230, 606,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#    0 AMB  20-2:1208    77 LEU  MDX         2.80    (#   1208:20  Single Ambig)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.71, r4= 6.46,
 igr1= 312, 313, 314, 316, 317, 318,1271,1272,1273,1275,
      1276,1232,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   99 LEU  MDY          77 LEU  MDX         3.50    (#   1209:20  Unique         2.35, 5.52 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#    0 AMB  20-2:1210    60 LEU  HG          3.50    (#   1210:20  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 20, iat=  -1, 944, r1= 0.00, r2= 1.80, r3= 5.37, r4= 6.12,
 igr1= 946, 947, 948, 950, 951, 952, 946, 947, 948, 950,
       951, 952,  95,
 &end
#
#    0 AMB  20-2:1211    60 LEU  HG          6.00    (#   1211:20  Single Ambig)
 &rst
  ixpk= 1211, nxpk= 20, iat=  -1, 944, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 939,  90,
 &end
#
#    0 AMB  20-2:1212    61 LEU  HG          6.00    (#   1212:20  Single Ambig)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 829,  92,  93,  35,  36,
 &end
#
#    0 AMB  20-2:1213     0 AMB  20-1:1213   2.80    (#   1213:20  Double Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.75, r4= 7.50,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103, 883, 884, 885, 887, 888, 889, 401, 402,
       401, 402, 831, 832, 833, 835, 836, 837,
 igr2= 963, 404, 405, 404, 405, 404, 405,
 &end
#
#    0 AMB  20-2:1214    61 LEU  HG          4.50    (#   1214:20  Single Ambig)
 &rst
  ixpk= 1214, nxpk= 20, iat=  -1, 963, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 &end
#
#   56 LEU  HB+          25 LYS  HD-         4.50    (#   1215:20  Unique         3.60, 5.69 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 878, 879,
 igr2= 404, 405,
 &end
#
#    0 AMB  20-2:1216    25 LYS  HD-         6.00    (#   1216:20  Single Ambig)
 &rst
  ixpk= 1216, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 381, 382,1198,1199,
 igr2= 404, 405,
 &end
#
#    0 AMB  20-2:1217     3 LEU  HG          3.50    (#   1217:20  Single Ambig)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,  38, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 114, 115,  25,  26,  27,
 &end
#
#    0 AMB  20-2:1220    57 GLU  HA          2.80    (#   1220:20  Single Ambig)
 &rst
  ixpk= 1220, nxpk= 20, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 897, 898, 900, 901, 900, 901,
 &end
#
#   57 GLU  HB-          57 GLU  HA          4.50    (#   1221:20  Unique         2.35, 2.76 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  -1, 895, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 897, 898,
 &end
#
#  107 MET  HG-         107 MET  HA          4.50    (#   1222:20  Unique         2.36, 3.03 A)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1683,1684,
 &end
#
#  107 MET  HB+         107 MET  HA          2.80    (#   1223:20  Unique         2.50, 2.79 A)
 &rst
  ixpk= 1223, nxpk= 20, iat=  -1,1678, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#   56 LEU  HB-          56 LEU  HA          4.50    (#   1224:20  Unique         2.50, 2.85 A)
 &rst
  ixpk= 1224, nxpk= 20, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 878, 879,
 &end
#
#    0 AMB  20-2:1225    56 LEU  HA          2.80    (#   1225:20  Single Ambig)
 &rst
  ixpk= 1225, nxpk= 20, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 878, 879, 960, 961,
 &end
#
#   56 LEU  MDY          56 LEU  HA          3.50    (#   1226:20  Unique         2.15, 3.49 A)
 &rst
  ixpk= 1226, nxpk= 20, iat=  -1, 876, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 883, 884, 885, 887, 888, 889,
 &end
#
#   32 GLN  HB+          32 GLN  HA          2.80    (#   1227:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 1227, nxpk= 20, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 509, 510,
 &end
#
#    0 AMB  20-2:1228    32 GLN  HA          3.50    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 512, 513, 512, 513,
 &end
#
#   18 HIS  HB+          18 HIS  HA          4.50    (#   1229:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1, 269, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 271, 272,
 &end
#
#   32 GLN  HB-          32 GLN  HA          3.50    (#   1230:20  Unique         2.30, 2.73 A)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 509, 510,
 &end
#
#    3 LEU  HB-           3 LEU  HA          4.50    (#   1231:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,  33, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  35,  36,
 &end
#
#    0 AMB  20-2:1232     3 LEU  HA          4.50    (#   1232:20  Single Ambig)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,  33, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#   29 ASP  HB+          29 ASP  HA          2.80    (#   1233:20  Unique         2.35, 2.73 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1, 461, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 463, 464,
 &end
#
#   46 LEU  HB-          46 LEU  HA          3.50    (#   1234:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 726, 727,
 &end
#
#   46 LEU  MDY          46 LEU  HA          2.80    (#   1235:20  Unique         2.09, 3.86 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 731, 732, 733, 735, 736, 737,
 &end
#
#    6 ALA  MB            6 ALA  HA          2.80    (#   1236:20  Unique         2.41, 2.66 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=  -1,  80, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  82,  83,  84,
 &end
#
#   80 ASP  HB+          80 ASP  HA          4.50    (#   1237:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,1286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1288,1289,
 &end
#
#    0 AMB  20-2:1238     3 LEU  HA          4.50    (#   1238:20  Single Ambig)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,  33, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  92,  93,  35,  36,
 &end
#
#   46 LEU  HG           46 LEU  HA          6.00    (#   1239:20  Unique         2.65, 3.26 A)
 &rst
  ixpk= 1239, nxpk= 20, iat= 729, 724, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   46 LEU  HB+          46 LEU  HA          4.50    (#   1240:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1240, nxpk= 20, iat=  -1, 724, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 726, 727,
 &end
#
#   80 ASP  HB-          80 ASP  HA          4.50    (#   1241:20  Unique         2.41, 2.77 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,1286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1288,1289,
 &end
#
#   47 ASN  HB+          47 ASN  HA          2.80    (#   1242:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 745, 746,
 &end
#
#   47 ASN  HB-          47 ASN  HA          2.80    (#   1243:20  Unique         2.39, 2.72 A)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1, 743, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 745, 746,
 &end
#
#  106 ALA  MB          106 ALA  HA          2.80    (#   1244:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,1668, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1670,1671,1672,
 &end
#
#   93 ALA  MB           93 ALA  HA          3.50    (#   1246:20  Unique         2.44, 2.66 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1,1461, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1463,1464,1465,
 &end
#
#   51 GLU  HB-          51 GLU  HA          3.50    (#   1247:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1247, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 803, 804,
 &end
#
#   51 GLU  HB+          51 GLU  HA          3.50    (#   1248:20  Unique         2.42, 2.77 A)
 &rst
  ixpk= 1248, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 803, 804,
 &end
#
#    2 ALA  MB            2 ALA  HA          2.80    (#   1250:20  Unique         2.43, 2.67 A)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  23, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=  25,  26,  27,
 &end
#
#   35 PHE  HB-          75 PRO  HD+         6.00    (#   1251:20  Unique         2.92, 6.42 A)
 &rst
  ixpk= 1251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 544, 545,
 igr2=1195,1196,
 &end
#
#   32 GLN  HB+          75 PRO  HD+         6.00    (#   1252:20  Unique         4.78, 6.80 A)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 509, 510,
 igr2=1195,1196,
 &end
#
#   48 ALA  HA           49 PRO  HD+         2.80    (#   1254:20  Unique         2.19, 2.35 A)
 &rst
  ixpk= 1254, nxpk= 20, iat= 757,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2= 766, 767,
 &end
#
#    0 AMB  20-2:1256     0 AMB  20-1:1256   3.50    (#   1256:20  Double Ambig)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 769, 770, 772, 773,
 igr2= 766, 767, 766, 767,
 &end
#
#    0 AMB  20-2:1257     0 AMB  20-1:1257   3.50    (#   1257:20  Double Ambig)
 &rst
  ixpk= 1257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 769, 770, 288, 289,
 igr2= 766, 767, 766, 767,
 &end
#
#   48 ALA  MB           49 PRO  HD+         4.50    (#   1258:20  Unique         2.25, 3.99 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 759, 760, 761,
 igr2= 766, 767,
 &end
#
#    0 AMB  20-2:1259     0 AMB  20-1:1259   3.50    (#   1259:20  Double Ambig)
 &rst
  ixpk= 1259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  56,  57,  58,  82,  83,  84,
 igr2=  65,  66,  65,  66,
 &end
#
#    5 PRO  HB-           0 AMB  20-1:1260   6.00    (#   1260:20  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=  71,  72,
 igr2=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1261     0 AMB  20-1:1261   2.80    (#   1261:20  Double Ambig)
 &rst
  ixpk= 1261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  52,  54,
 igr2=  65,  66,  65,  66,  65,  66,
 &end
#
#    5 PRO  HA            0 AMB  20-1:1262   6.00    (#   1262:20  Single Ambig)
 &rst
  ixpk= 1262, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1263     0 AMB  20-1:1263   2.80    (#   1263:20  Double Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  68,  69,  68,  69,
 igr2=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1264     0 AMB  20-1:1264   4.50    (#   1264:20  Double Ambig)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=  71,  72,  71,  72,
 igr2=  65,  66,  65,  66,
 &end
#
#   35 PHE  HA           34 GLY  HA+         4.50    (#   1265:20  Unique         4.21, 4.51 A)
 &rst
  ixpk= 1265, nxpk= 20, iat= 542,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 535, 536,
 &end
#
#    0 AMB  20-2:1266     0 AMB  20-1:1266   4.50    (#   1266:20  Double Ambig)
 &rst
  ixpk= 1266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 575, 576, 578, 579,
 igr2= 535, 536, 535, 536,
 &end
#
#    0 AMB  20-2:1268     0 AMB  20-1:1268   6.00    (#   1268:20  Double Ambig)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.17, r4=13.92,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46,  38,
 igr2=1018,1019,1018,1019,1018,1019,1018,1019,
 &end
#
#   37 GLN  HB-          34 GLY  HA+         4.50    (#   1269:20  Unique         2.28, 5.04 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 575, 576,
 igr2= 535, 536,
 &end
#
#   16 THR  MG2          81 GLY  HA+         6.00    (#   1271:20  Unique         4.51, 6.74 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 248, 249, 250,
 igr2=1298,1299,
 &end
#
#    0 AMB  20-2:1275     0 AMB  20-1:1275   6.00    (#   1275:20  Double Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 512, 513, 512, 513,
 igr2= 418, 419, 418, 419,
 &end
#
#    0 AMB  20-2:1276    26 GLY  HA-         6.00    (#   1276:20  Single Ambig)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 512, 513, 512, 513,
 igr2= 418, 419,
 &end
#
#   73 THR  HA           73 THR  HB          4.50    (#   1279:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1279, nxpk= 20, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 THR  MG2          73 THR  HB          3.50    (#   1280:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1280, nxpk= 20, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1166,1167,1168,
 &end
#
#    0 AMB  20-2:1281    73 THR  HB          8.00    (#   1281:20  Single Ambig)
 &rst
  ixpk= 1281, nxpk= 20, iat=  -1,1164, r1= 0.00, r2= 1.80, r3=11.31, r4=12.06,
 igr1=1212,1213,1212,1213,1215,1216,1215,1216,
 &end
#
#   27 THR  HA           27 THR  HB          3.50    (#   1282:20  Unique         2.39, 2.45 A)
 &rst
  ixpk= 1282, nxpk= 20, iat= 425, 427, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 THR  MG2          27 THR  HB          2.80    (#   1283:20  Unique         2.39, 2.65 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1, 427, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 429, 430, 431,
 &end
#
#   16 THR  HA           16 THR  HB          2.80    (#   1284:20  Unique         2.45, 2.49 A)
 &rst
  ixpk= 1284, nxpk= 20, iat= 244, 246, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 THR  MG2          16 THR  HB          2.80    (#   1285:20  Unique         2.43, 2.66 A)
 &rst
  ixpk= 1285, nxpk= 20, iat=  -1, 246, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 248, 249, 250,
 &end
#
#    0 AMB  20-2:1286    38 THR  HB          3.50    (#   1286:20  Single Ambig)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 594, 595, 596,1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:1287     4 THR  HB          3.50    (#   1287:20  Single Ambig)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  65,  66,  65,  66,
 &end
#
#    0 AMB  20-2:1288     4 THR  HB          2.80    (#   1288:20  Single Ambig)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,  54, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=  56,  57,  58,  82,  83,  84,
 &end
#
#    7 LEU  HA           10 THR  HB          3.50    (#   1289:20  Unique         2.52, 2.78 A)
 &rst
  ixpk= 1289, nxpk= 20, iat=  90, 147, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 THR  MG2          10 THR  HB          2.80    (#   1290:20  Unique         2.42, 2.67 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 149, 150, 151,
 &end
#
#    0 AMB  20-2:1291    10 THR  HB          4.50    (#   1291:20  Single Ambig)
 &rst
  ixpk= 1291, nxpk= 20, iat=  -1, 147, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    6 ALA  HA            9 THR  HB          3.50    (#   1292:20  Unique         2.26, 2.73 A)
 &rst
  ixpk= 1292, nxpk= 20, iat=  80, 133, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 THR  HA            9 THR  HB          4.50    (#   1293:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1293, nxpk= 20, iat= 131, 133, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    9 THR  MG2           9 THR  HB          2.80    (#   1294:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1, 133, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 135, 136, 137,
 &end
#
#    0 AMB  20-2:1295    10 THR  HA          4.50    (#   1295:20  Single Ambig)
 &rst
  ixpk= 1295, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 192, 193, 192, 193,
 &end
#
#    0 AMB  20-2:1296    90 THR  HB          3.50    (#   1296:20  Single Ambig)
 &rst
  ixpk= 1296, nxpk= 20, iat=  -1,1418, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1420,1421,1422,1434,1435,1436,1438,1439,1440,
 &end
#
#   10 THR  MG2          10 THR  HA          2.80    (#   1297:20  Unique         2.46, 3.13 A)
 &rst
  ixpk= 1297, nxpk= 20, iat=  -1, 145, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 149, 150, 151,
 &end
#
#   38 THR  HB           38 THR  HA          6.00    (#   1298:20  Unique         3.04, 3.05 A)
 &rst
  ixpk= 1298, nxpk= 20, iat= 592, 590, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   12 ASP  HB+           9 THR  HA          6.00    (#   1299:20  Unique         2.53, 3.31 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 180, 181,
 &end
#
#    9 THR  HB            9 THR  HA          2.80    (#   1300:20  Unique         2.99, 2.99 A)
 &rst
  ixpk= 1300, nxpk= 20, iat= 133, 131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1301     9 THR  HA          4.50    (#   1301:20  Single Ambig)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 180, 181, 201, 202,
 &end
#
#    9 THR  MG2           9 THR  HA          2.80    (#   1302:20  Unique         2.36, 3.09 A)
 &rst
  ixpk= 1302, nxpk= 20, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 135, 136, 137,
 &end
#
#   52 SER  HA           52 SER  HB+         3.50    (#   1303:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1303, nxpk= 20, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 818, 819,
 &end
#
#    0 AMB  20-2:1305     5 PRO  HA          6.00    (#   1305:20  Single Ambig)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=  65,  66,  65,  66,
 &end
#
#    5 PRO  HB-           5 PRO  HA          2.80    (#   1306:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  71,  72,
 &end
#
#    0 AMB  20-2:1307     5 PRO  HA          4.50    (#   1307:20  Single Ambig)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 111, 112,  68,  69,
 &end
#
#    5 PRO  HB+           5 PRO  HA          3.50    (#   1308:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  71,  72,
 &end
#
#    8 LYS  HB+           5 PRO  HA          6.00    (#   1309:20  Unique         2.45, 4.64 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 111, 112,
 &end
#
#   15 VAL  HB           15 VAL  HA          3.50    (#   1310:20  Unique         2.38, 2.70 A)
 &rst
  ixpk= 1310, nxpk= 20, iat= 230, 228, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1311    15 VAL  HA          4.50    (#   1311:20  Single Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1, 228, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 232, 233, 234, 236, 237, 238, 216, 217, 218, 220,
       221, 222,
 &end
#
#   14 VAL  MGY          15 VAL  HA          6.00    (#   1312:20  Unique         3.10, 5.56 A)
 &rst
  ixpk= 1312, nxpk= 20, iat=  -1, 228, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#   21 VAL  MGY          15 VAL  HA          4.50    (#   1313:20  Unique         2.23, 4.13 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1, 228, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   15 VAL  MGY          15 VAL  HA          3.50    (#   1314:20  Unique         2.36, 3.34 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1, 228, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   39 VAL  MGY          36 SER  HA          4.50    (#   1315:20  Unique         2.06, 4.46 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1, 562, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:1316     0 AMB  20-1:1316   2.80    (#   1316:20  Double Ambig)
 &rst
  ixpk= 1316, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 606,1153,1154,
 igr2= 562,1156,
 &end
#
#   66 LYS  HB+          72 PRO  HA          6.00    (#   1317:20  Unique         2.57, 4.59 A)
 &rst
  ixpk= 1317, nxpk= 20, iat=  -1,1156, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1046,1047,
 &end
#
#    0 AMB  20-2:1318     0 AMB  20-1:1318   2.80    (#   1318:20  Double Ambig)
 &rst
  ixpk= 1318, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 564, 565, 564, 565,1514,
 igr2= 562,1516,1517,
 &end
#
#   96 SER  HA           96 SER  HB-         3.50    (#   1320:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1514,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1516,1517,
 &end
#
#   17 SER  HA           17 SER  HB+         3.50    (#   1324:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1324, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 260, 261,
 &end
#
#   90 THR  HB           87 CYS  HA          4.50    (#   1325:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 1325, nxpk= 20, iat=1418,1374, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 VAL  MGY          87 CYS  HA          3.50    (#   1326:20  Unique         2.07, 3.81 A)
 &rst
  ixpk= 1326, nxpk= 20, iat=  -1,1374, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:1327    31 PRO  HA          2.80    (#   1327:20  Single Ambig)
 &rst
  ixpk= 1327, nxpk= 20, iat=  -1, 501, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 498, 499, 495, 496,
 &end
#
#   24 MET  ME           31 PRO  HA          6.00    (#   1328:20  Unique         2.12, 3.08 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1, 501, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 388, 389, 390,
 &end
#
#   45 SER  HA           45 SER  HB+         3.50    (#   1329:20  Unique         2.40, 2.68 A)
 &rst
  ixpk= 1329, nxpk= 20, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 715, 716,
 &end
#
#   45 SER  HA           45 SER  HB-         3.50    (#   1330:20  Unique         2.40, 2.68 A)
 &rst
  ixpk= 1330, nxpk= 20, iat= 713,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 715, 716,
 &end
#
#    0 AMB  20-2:1331    49 PRO  HA          2.80    (#   1331:20  Single Ambig)
 &rst
  ixpk= 1331, nxpk= 20, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 772, 773, 769, 770,
 &end
#
#   49 PRO  HG-          49 PRO  HA          6.00    (#   1332:20  Unique         3.01, 3.96 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 769, 770,
 &end
#
#   49 PRO  HB-          49 PRO  HA          4.50    (#   1333:20  Unique         2.32, 2.53 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1, 775, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 772, 773,
 &end
#
#   16 THR  MG2          16 THR  HA          2.80    (#   1334:20  Unique         2.44, 3.03 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1, 244, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 248, 249, 250,
 &end
#
#   55 ILE  HB           55 ILE  HA          3.50    (#   1335:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 1335, nxpk= 20, iat= 859, 857, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1336    55 ILE  HA          3.50    (#   1336:20  Single Ambig)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 861, 862, 863, 965, 966, 967, 969, 970, 971,
 &end
#
#    0 AMB  20-2:1337    68 TYR  HA          2.80    (#   1337:20  Single Ambig)
 &rst
  ixpk= 1337, nxpk= 20, iat=  -1,1081, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1083,1084,1083,1084,
 &end
#
#    0 AMB  20-2:1338    68 TYR  HA          6.00    (#   1338:20  Single Ambig)
 &rst
  ixpk= 1338, nxpk= 20, iat=  -1,1081, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#   53 VAL  MGY          53 VAL  HA          2.80    (#   1339:20  Unique         2.48, 3.16 A)
 &rst
  ixpk= 1339, nxpk= 20, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 831, 832, 833, 835, 836, 837,
 &end
#
#   53 VAL  MGX          53 VAL  HA          3.50    (#   1340:20  Unique         2.48, 3.16 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1, 827, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 831, 832, 833, 835, 836, 837,
 &end
#
#   17 SER  HB-          17 SER  HA          2.80    (#   1341:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1341, nxpk= 20, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 260, 261,
 &end
#
#    0 AMB  20-2:1342   109 SER  HA          2.80    (#   1342:20  Single Ambig)
 &rst
  ixpk= 1342, nxpk= 20, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1708,1709,1708,1709,
 &end
#
#   44 LYS  HG-          44 LYS  HA          3.50    (#   1343:20  Unique         2.37, 2.93 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=  -1, 691, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 696, 697,
 &end
#
#    0 AMB  20-2:1344    44 LYS  HA          2.80    (#   1344:20  Single Ambig)
 &rst
  ixpk= 1344, nxpk= 20, iat=  -1, 691, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 696, 697, 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:1345     0 AMB  20-1:1345   6.00    (#   1345:20  Double Ambig)
 &rst
  ixpk= 1345, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1=1463,1464,1465,1549,1550,1549,1550,
 igr2=1446,1340,
 &end
#
#    0 AMB  20-2:1346   104 GLU  HA          4.50    (#   1346:20  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 20, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1636,1637,1636,1637,
 &end
#
#  107 MET  HB+         104 GLU  HA          2.80    (#   1347:20  Unique         2.51, 3.56 A)
 &rst
  ixpk= 1347, nxpk= 20, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1680,1681,
 &end
#
#  104 GLU  HB+         104 GLU  HA          2.80    (#   1348:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1348, nxpk= 20, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1633,1634,
 &end
#
#    0 AMB  20-2:1349     4 THR  HA          3.50    (#   1349:20  Single Ambig)
 &rst
  ixpk= 1349, nxpk= 20, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  65,  66,  65,  66,
 &end
#
#    4 THR  MG2           4 THR  HA          3.50    (#   1350:20  Unique         2.34, 3.16 A)
 &rst
  ixpk= 1350, nxpk= 20, iat=  -1,  52, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  56,  57,  58,
 &end
#
#   33 CYS  HB+          33 CYS  HA          6.00    (#   1351:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=  -1, 524, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 526, 527,
 &end
#
#   99 LEU  MDX          94 TYR  HA          6.00    (#   1352:20  Unique         3.19, 5.14 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1554,1555,1556,1558,1559,1560,
 &end
#
#   73 THR  MG2          73 THR  HA          3.50    (#   1353:20  Unique         2.39, 3.11 A)
 &rst
  ixpk= 1353, nxpk= 20, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1166,1167,1168,
 &end
#
#   73 THR  HG1          73 THR  HA          3.50    (#   1354:20  Unique         2.25, 3.15 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=1170,1162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 PHE  HB+          84 PHE  HA          4.50    (#   1355:20  Unique         2.48, 2.80 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,1340, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1342,1343,
 &end
#
#    0 AMB  20-2:1356     0 AMB  20-1:1356   2.80    (#   1356:20  Double Ambig)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1451,1452,1342,1343,
 igr2=1446,1340,
 &end
#
#   94 TYR  HB+          94 TYR  HA          4.50    (#   1357:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#   99 LEU  HB-          94 TYR  HA          4.50    (#   1358:20  Unique         2.18, 2.87 A)
 &rst
  ixpk= 1358, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1549,1550,
 &end
#
#    0 AMB  20-2:1359   108 CYS  HA          3.50    (#   1359:20  Single Ambig)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,1695, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1697,1698,1697,1698,
 &end
#
#   96 SER  HB-          96 SER  HA          3.50    (#   1360:20  Unique         2.38, 2.68 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,1514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1516,1517,
 &end
#
#    0 AMB  20-2:1361    59 GLU  HA          2.80    (#   1361:20  Single Ambig)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1, 924, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 979, 980, 979, 980, 926, 927, 926, 927,
 &end
#
#    0 AMB  20-2:1362    13 LYS  HA          2.80    (#   1362:20  Single Ambig)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1, 190, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 192, 193, 192, 193,
 &end
#
#   13 LYS  HG+          13 LYS  HA          6.00    (#   1363:20  Unique         2.32, 3.01 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1, 190, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 195, 196,
 &end
#
#   41 GLN  HB-          41 GLN  HA          3.50    (#   1364:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:1365    41 GLN  HA          3.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 693, 694, 693, 694,
 &end
#
#    0 AMB  20-2:1366    41 GLN  HA          4.50    (#   1366:20  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 699, 700, 699, 700,
 &end
#
#   66 LYS  HB-          66 LYS  HA          4.50    (#   1367:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#   66 LYS  HB+          66 LYS  HA          4.50    (#   1368:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 1368, nxpk= 20, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1046,1047,
 &end
#
#   98 GLU  HG+          98 GLU  HA          4.50    (#   1370:20  Unique         2.47, 3.06 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,1532, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1537,1538,
 &end
#
#    0 AMB  20-2:1371    98 GLU  HA          2.80    (#   1371:20  Single Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,1532, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1534,1535,1534,1535,
 &end
#
#    0 AMB  20-2:1372     0 AMB  20-1:1372   2.80    (#   1372:20  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1648,1649,1648,1649,1648,1649,
 igr2=1598,1646,
 &end
#
#  105 LYS  HG-           0 AMB  20-1:1373   4.50    (#   1373:20  Single Ambig)
 &rst
  ixpk= 1373, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1651,1652,
 igr2=1646,1598,
 &end
#
#   13 LYS  HG-          13 LYS  HA          4.50    (#   1374:20  Unique         2.32, 3.01 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=  -1, 190, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 195, 196,
 &end
#
#   41 GLN  HG-          41 GLN  HA          4.50    (#   1375:20  Unique         2.46, 3.00 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 641, 642,
 &end
#
#   40 VAL  MGY          41 GLN  HA          6.00    (#   1376:20  Unique         3.44, 5.68 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 624, 625, 626, 628, 629, 630,
 &end
#
#    0 AMB  20-2:1377   102 GLN  HA          4.50    (#   1377:20  Single Ambig)
 &rst
  ixpk= 1377, nxpk= 20, iat=  -1,1598, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1654,1655,1654,1655,
 &end
#
#  102 GLN  HG-         102 GLN  HA          4.50    (#   1378:20  Unique         2.39, 3.24 A)
 &rst
  ixpk= 1378, nxpk= 20, iat=  -1,1598, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1603,1604,
 &end
#
#    0 AMB  20-2:1379    19 LYS  HA          3.50    (#   1379:20  Single Ambig)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 291, 292, 288, 289,
 &end
#
#    0 AMB  20-2:1380    19 LYS  HA          3.50    (#   1380:20  Single Ambig)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 294, 295, 291, 292,
 &end
#
#   19 LYS  HD+          19 LYS  HA          4.50    (#   1381:20  Unique         2.18, 3.72 A)
 &rst
  ixpk= 1381, nxpk= 20, iat=  -1, 286, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 294, 295,
 &end
#
#   91 VAL  HB           88 ASP  HA          4.50    (#   1382:20  Unique         2.52, 2.72 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=1432,1385, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 VAL  MGY          88 ASP  HA          4.50    (#   1383:20  Unique         3.45, 4.64 A)
 &rst
  ixpk= 1383, nxpk= 20, iat=  -1,1385, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#    0 AMB  20-2:1384    88 ASP  HA          2.80    (#   1384:20  Single Ambig)
 &rst
  ixpk= 1384, nxpk= 20, iat=  -1,1385, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1387,1388,1387,1388,
 &end
#
#   67 GLU  HG+          67 GLU  HA          4.50    (#   1385:20  Unique         2.39, 3.09 A)
 &rst
  ixpk= 1385, nxpk= 20, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1071,1072,
 &end
#
#    0 AMB  20-2:1386    67 GLU  HA          2.80    (#   1386:20  Single Ambig)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,1066, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1068,1069,1068,1069,
 &end
#
#   60 LEU  HB+          60 LEU  HA          3.50    (#   1387:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 941, 942,
 &end
#
#   60 LEU  HB-          60 LEU  HA          2.80    (#   1388:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1, 939, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 941, 942,
 &end
#
#    0 AMB  20-2:1389    65 LEU  HA          3.50    (#   1389:20  Single Ambig)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,1025, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1083,1084,1083,1084,
 &end
#
#   65 LEU  HB-          65 LEU  HA          6.00    (#   1390:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,1025, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1027,1028,
 &end
#
#    0 AMB  20-2:1391    61 LEU  HA          3.50    (#   1391:20  Single Ambig)
 &rst
  ixpk= 1391, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 960, 961, 960, 961,
 &end
#
#    0 AMB  20-2:1392    63 GLN  HA          4.50    (#   1392:20  Single Ambig)
 &rst
  ixpk= 1392, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1006,1007,1006,1007,
 &end
#
#   63 GLN  HB+          63 GLN  HA          2.80    (#   1393:20  Unique         2.36, 2.76 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1003,1004,
 &end
#
#   66 LYS  HB+          63 GLN  HA          6.00    (#   1394:20  Unique         2.91, 4.92 A)
 &rst
  ixpk= 1394, nxpk= 20, iat=  -1,1001, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1046,1047,
 &end
#
#   12 ASP  HB-          12 ASP  HA          4.50    (#   1395:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1395, nxpk= 20, iat=  -1, 178, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 180, 181,
 &end
#
#    0 AMB  20-2:1396     7 LEU  HA          2.80    (#   1396:20  Single Ambig)
 &rst
  ixpk= 1396, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#   12 ASP  HB+          12 ASP  HA          3.50    (#   1397:20  Unique         2.42, 2.75 A)
 &rst
  ixpk= 1397, nxpk= 20, iat=  -1, 178, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 180, 181,
 &end
#
#   15 VAL  MGX          12 ASP  HA          4.50    (#   1398:20  Unique         2.11, 4.37 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1, 178, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   69 SER  HB+          69 SER  HA          6.00    (#   1399:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1104,1105,
 &end
#
#   69 SER  HB-          69 SER  HA          4.50    (#   1400:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1104,1105,
 &end
#
#    0 AMB  20-2:1401     7 LEU  HA          2.80    (#   1401:20  Single Ambig)
 &rst
  ixpk= 1401, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  92,  93, 941, 942,
 &end
#
#   25 LYS  HD+          25 LYS  HA          4.50    (#   1402:20  Unique         4.03, 4.55 A)
 &rst
  ixpk= 1402, nxpk= 20, iat=  -1, 396, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 404, 405,
 &end
#
#    0 AMB  20-2:1403    25 LYS  HA          6.00    (#   1403:20  Single Ambig)
 &rst
  ixpk= 1403, nxpk= 20, iat=  -1, 396, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 401, 402, 401, 402, 881,
 &end
#
#    0 AMB  20-2:1404     0 AMB  20-1:1404   2.80    (#   1404:20  Double Ambig)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.65, r4= 7.40,
 igr1= 878, 879, 878, 879,  35,  36, 404, 405, 404, 405,
      
 igr2= 401, 402, 401, 402,  40,  41,  42,  44,  45,  46,
        40,  41,  42,  44,  45,  46, 401, 402,
 &end
#
#    0 AMB  20-2:1405     0 AMB  20-1:1405   6.00    (#   1405:20  Double Ambig)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=16.50, r4=17.25,
 igr1= 384, 385, 384, 385, 384, 385,1068,1069,1068,1069,
      1068,1069,1003,1004,1003,1004,1003,1004,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,  40,  41,  42,  44,  45,  46,  40,  41,
        42,  44,  45,  46,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   4.50    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.08, r4=10.83,
 igr1= 398, 399, 878, 879,1229,1230, 606,
 igr2= 401, 402, 401, 402, 401, 402, 347, 348, 349, 351,
       352, 353, 347, 348, 349, 351, 352, 353,
 &end
#
#    0 AMB  20-2:1407     0 AMB  20-1:1407   3.50    (#   1407:20  Double Ambig)
 &rst
  ixpk= 1407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 381, 382, 941, 942,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353, 946, 947, 948, 950, 951, 952,
 &end
#
#    0 AMB  20-2:1408     0 AMB  20-1:1408   2.80    (#   1408:20  Double Ambig)
 &rst
  ixpk= 1408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.44, r4= 6.19,
 igr1= 944, 117, 118,
 igr2= 946, 947, 948, 950, 951, 952,  40,  41,  42,  44,
        45,  46,  40,  41,  42,  44,  45,  46,
 &end
#
#    0 AMB  20-2:1409    65 LEU  MDX         4.50    (#   1409:20  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 859,1027,1028,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#    7 LEU  HB-           0 AMB  20-1:1410   4.50    (#   1410:20  Single Ambig)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=  92,  93,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#   43 LEU  HG           39 VAL  MGX         4.50    (#   1411:20  Unique         2.77, 5.09 A)
 &rst
  ixpk= 1411, nxpk= 20, iat= 677,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 608, 609, 610, 612, 613, 614,
 &end
#
#    0 AMB  20-2:1412     0 AMB  20-1:1412   2.80    (#   1412:20  Double Ambig)
 &rst
  ixpk= 1412, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1654,1655,1654,1655,1500,1501,1500,1501,1150,1151,
      1150,1151,
 igr2=1657,1658,1657,1658,1503,1504,1503,1504,1055,1056,
      1055,1056,
 &end
#
#    0 AMB  20-2:1413     0 AMB  20-1:1413   2.80    (#   1413:20  Double Ambig)
 &rst
  ixpk= 1413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1= 979, 980, 979, 980,1534,1535,1534,1535,
 igr2= 982, 983, 982, 983,1537,1538,1537,1538,
 &end
#
#   55 ILE  HA           62 ARG  HG+         6.00    (#   1414:20  Unique         4.11, 6.05 A)
 &rst
  ixpk= 1414, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 982, 983,
 &end
#
#   98 GLU  HA           98 GLU  HG+         4.50    (#   1415:20  Unique         2.47, 3.06 A)
 &rst
  ixpk= 1415, nxpk= 20, iat=1532,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1537,1538,
 &end
#
#   24 MET  HB+          24 MET  ME          3.50    (#   1418:20  Unique         2.37, 4.13 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 381, 382,
 igr2= 388, 389, 390,
 &end
#
#    0 AMB  20-2:1419    24 MET  ME          6.00    (#   1419:20  Single Ambig)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 492, 493, 544, 545,
 igr2= 388, 389, 390,
 &end
#
#   27 THR  HA           24 MET  ME          6.00    (#   1420:20  Unique         2.31, 4.90 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 425,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 388, 389, 390,
 &end
#
#   74 PHE  HD           74 PHE  HA          4.50    (#   1422:20  Unique         2.24, 3.60 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1182,1190,
 &end
#
#   74 PHE  HA           74 PHE  HB-         6.00    (#   1424:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=1176,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1178,1179,
 &end
#
#   75 PRO  HA           74 PHE  HB-         6.00    (#   1425:20  Unique         2.10, 3.01 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=1204,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1178,1179,
 &end
#
#   14 VAL  HN            0 AMB  20-1:1426   4.50    (#   1426:20  Single Ambig)
 &rst
  ixpk= 1426, nxpk= 20, iat= 210,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 192, 193, 192, 193,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   4.50    (#   1427:20  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 216, 217, 218, 220, 221, 222, 149, 150, 151,
 igr2= 192, 193, 192, 193, 192, 193,
 &end
#
#    5 PRO  HA            5 PRO  HG+         6.00    (#   1428:20  Unique         2.85, 3.74 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  68,  69,
 &end
#
#    0 AMB  20-2:1429     0 AMB  20-1:1429   2.80    (#   1429:20  Double Ambig)
 &rst
  ixpk= 1429, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=  71,  72, 641, 642,
 igr2=  68,  69, 638, 639,
 &end
#
#    9 THR  HN            6 ALA  HA          6.00    (#   1430:20  Unique         3.43, 3.88 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 129,  80, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    7 LEU  HN            6 ALA  HA          6.00    (#   1431:20  Unique         3.53, 3.61 A)
 &rst
  ixpk= 1431, nxpk= 20, iat=  88,  80, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    6 ALA  HN            6 ALA  MB          6.00    (#   1432:20  Unique         2.41, 2.92 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=  78,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=  82,  83,  84,
 &end
#
#    7 LEU  HB-           7 LEU  HA          4.50    (#   1433:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=  -1,  90, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  92,  93,
 &end
#
#   11 LEU  HN            7 LEU  HA          6.00    (#   1434:20  Unique         3.78, 3.96 A)
 &rst
  ixpk= 1434, nxpk= 20, iat= 157,  90, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    8 LYS  HN            7 LEU  HB-         6.00    (#   1435:20  Unique         2.26, 3.12 A)
 &rst
  ixpk= 1435, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  92,  93,
 &end
#
#    8 LYS  HN            7 LEU  HB+         6.00    (#   1436:20  Unique         2.26, 3.12 A)
 &rst
  ixpk= 1436, nxpk= 20, iat= 107,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  92,  93,
 &end
#
#    0 AMB  20-2:1437     7 LEU  HG          8.00    (#   1437:20  Single Ambig)
 &rst
  ixpk= 1437, nxpk= 20, iat=  -1,  95, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1= 166, 167, 168, 170, 171, 172,1032,1033,1034,1036,
      1037,1038,
 &end
#
#    0 AMB  20-2:1438     0 AMB  20-1:1438   6.00    (#   1438:20  Double Ambig)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.31, r4=10.06,
 igr1=  33, 396,
 igr2= 946, 947, 948, 950, 951, 952, 881,
 &end
#
#    3 LEU  HA            7 LEU  HG          8.00    (#   1439:20  Unique         3.76, 5.25 A)
 &rst
  ixpk= 1439, nxpk= 20, iat=  33,  95, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#   10 THR  MG2           0 AMB  20-1:1440   6.00    (#   1440:20  Single Ambig)
 &rst
  ixpk= 1440, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 149, 150, 151,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    8 LYS  HB-           8 LYS  HA          4.50    (#   1441:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 111, 112,
 &end
#
#    8 LYS  HG+           8 LYS  HA          4.50    (#   1442:20  Unique         2.39, 2.76 A)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 114, 115,
 &end
#
#    8 LYS  HB+           8 LYS  HA          4.50    (#   1443:20  Unique         2.46, 2.79 A)
 &rst
  ixpk= 1443, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 111, 112,
 &end
#
#    0 AMB  20-2:1444     8 LYS  HA          6.00    (#   1444:20  Single Ambig)
 &rst
  ixpk= 1444, nxpk= 20, iat=  -1, 109, r1= 0.00, r2= 1.80, r3= 9.20, r4= 9.95,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  95,
 &end
#
#    8 LYS  HN            8 LYS  HA          6.00    (#   1445:20  Unique         2.83, 2.85 A)
 &rst
  ixpk= 1445, nxpk= 20, iat= 107, 109, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1446     8 LYS  HB-         6.00    (#   1446:20  Single Ambig)
 &rst
  ixpk= 1446, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.33, r4=11.08,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,  38,
 igr2= 111, 112,
 &end
#
#    5 PRO  HA            8 LYS  HB-         6.00    (#   1447:20  Unique         2.45, 4.64 A)
 &rst
  ixpk= 1447, nxpk= 20, iat=  74,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 111, 112,
 &end
#
#    9 THR  HN            8 LYS  HB-         6.00    (#   1448:20  Unique         2.58, 3.21 A)
 &rst
  ixpk= 1448, nxpk= 20, iat= 129,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 111, 112,
 &end
#
#    0 AMB  20-2:1449     0 AMB  20-1:1449   6.00    (#   1449:20  Double Ambig)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1= 288, 289, 111, 112,
 igr2= 297, 298, 297, 298, 120, 121,
 &end
#
#   10 THR  HN            9 THR  HA          6.00    (#   1450:20  Unique         3.57, 3.59 A)
 &rst
  ixpk= 1450, nxpk= 20, iat= 143, 131, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   12 ASP  HN            9 THR  HA          6.00    (#   1451:20  Unique         3.52, 3.77 A)
 &rst
  ixpk= 1451, nxpk= 20, iat= 176, 131, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   10 THR  HB           10 THR  HA          6.00    (#   1452:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 1452, nxpk= 20, iat= 147, 145, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  MGY          14 VAL  HA          6.00    (#   1453:20  Unique         2.35, 3.30 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#   14 VAL  MGX          14 VAL  HA          3.50    (#   1454:20  Unique         2.35, 3.30 A)
 &rst
  ixpk= 1454, nxpk= 20, iat=  -1, 212, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 216, 217, 218, 220, 221, 222,
 &end
#
#   10 THR  HA           10 THR  HB          6.00    (#   1455:20  Unique         3.05, 3.05 A)
 &rst
  ixpk= 1455, nxpk= 20, iat= 145, 147, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   11 LEU  MDY          11 LEU  HA          3.50    (#   1456:20  Unique         2.15, 3.72 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=  -1, 159, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#   14 VAL  HB           11 LEU  MDY         6.00    (#   1457:20  Unique         2.97, 6.62 A)
 &rst
  ixpk= 1457, nxpk= 20, iat= 214,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#   14 VAL  MGY          11 LEU  MDY         4.50    (#   1458:20  Unique         3.24, 6.85 A)
 &rst
  ixpk= 1458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 216, 217, 218, 220, 221, 222,
 igr2= 166, 167, 168, 170, 171, 172,
 &end
#
#    9 THR  HA           12 ASP  HB-         4.50    (#   1459:20  Unique         2.53, 3.31 A)
 &rst
  ixpk= 1459, nxpk= 20, iat= 131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 180, 181,
 &end
#
#    9 THR  HA           12 ASP  HB+         6.00    (#   1460:20  Unique         2.53, 3.31 A)
 &rst
  ixpk= 1460, nxpk= 20, iat= 131,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 180, 181,
 &end
#
#    0 AMB  20-2:1461     0 AMB  20-1:1461   3.50    (#   1461:20  Double Ambig)
 &rst
  ixpk= 1461, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 195, 196, 195, 196,
 igr2= 192, 193, 192, 193,
 &end
#
#    0 AMB  20-2:1462     0 AMB  20-1:1462   6.00    (#   1462:20  Double Ambig)
 &rst
  ixpk= 1462, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 188,1184,1188,
 igr2= 195, 196,1049,1050,
 &end
#
#    0 AMB  20-2:1464     0 AMB  20-1:1464   3.50    (#   1464:20  Double Ambig)
 &rst
  ixpk= 1464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 192, 193, 192, 193, 192, 193,
 igr2= 198, 199, 198, 199, 198, 199,
 &end
#
#   14 VAL  HB           14 VAL  HA          4.50    (#   1465:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 1465, nxpk= 20, iat= 214, 212, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 VAL  MGY          14 VAL  HB          4.50    (#   1466:20  Unique         3.17, 6.16 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 232, 233, 234, 236, 237, 238,
 &end
#
#   11 LEU  MDY          14 VAL  HB          6.00    (#   1467:20  Unique         2.97, 6.62 A)
 &rst
  ixpk= 1467, nxpk= 20, iat=  -1, 214, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 166, 167, 168, 170, 171, 172,
 &end
#
#   14 VAL  HB           14 VAL  MGY         3.50    (#   1468:20  Unique         2.40, 2.65 A)
 &rst
  ixpk= 1468, nxpk= 20, iat= 214,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:1469     0 AMB  20-1:1469   4.50    (#   1469:20  Double Ambig)
 &rst
  ixpk= 1469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1= 664, 665, 666, 232, 233, 234, 236, 237, 238,
 igr2=1434,1435,1436,1438,1439,1440, 216, 217, 218, 220,
       221, 222,
 &end
#
#    0 AMB  20-2:1470    90 THR  MG2         6.00    (#   1470:20  Single Ambig)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.42, r4=10.17,
 igr1=1549,1550,1463,1464,1465,
 igr2=1420,1421,1422,
 &end
#
#   15 VAL  HN           15 VAL  HB          6.00    (#   1471:20  Unique         2.23, 2.69 A)
 &rst
  ixpk= 1471, nxpk= 20, iat= 226, 230, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   16 THR  HB           16 THR  HA          3.50    (#   1472:20  Unique         2.45, 2.49 A)
 &rst
  ixpk= 1472, nxpk= 20, iat= 246, 244, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1473     0 AMB  20-1:1473   6.00    (#   1473:20  Double Ambig)
 &rst
  ixpk= 1473, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.19, r4=10.94,
 igr1=1298,1299,1018,1019,
 igr2= 248, 249, 250,  56,  57,  58,
 &end
#
#   17 SER  HA           17 SER  HB-         4.50    (#   1474:20  Unique         2.40, 2.64 A)
 &rst
  ixpk= 1474, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 260, 261,
 &end
#
#   18 HIS  HB-          18 HIS  HA          6.00    (#   1475:20  Unique         2.42, 2.76 A)
 &rst
  ixpk= 1475, nxpk= 20, iat=  -1, 269, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 271, 272,
 &end
#
#   19 LYS  HN           18 HIS  HA          6.00    (#   1476:20  Unique         2.19, 2.81 A)
 &rst
  ixpk= 1476, nxpk= 20, iat= 284, 269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  102 GLN  HE2+        102 GLN  HG-         4.50    (#   1477:20  Unique         2.20, 3.40 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1608,1609,
 igr2=1603,1604,
 &end
#
#  102 GLN  HN          102 GLN  HG-         4.50    (#   1478:20  Unique         2.37, 3.45 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=1596,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1603,1604,
 &end
#
#   19 LYS  HD+          19 LYS  HG-         3.50    (#   1479:20  Unique         2.34, 2.73 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 294, 295,
 igr2= 291, 292,
 &end
#
#   21 VAL  HN           20 VAL  HA          3.50    (#   1480:20  Unique         2.12, 2.19 A)
 &rst
  ixpk= 1480, nxpk= 20, iat= 322, 308, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 PHE  HD           20 VAL  MGY         6.00    (#   1481:20  Unique         4.11, 6.71 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 787, 795,
 igr2= 312, 313, 314, 316, 317, 318,
 &end
#
#   21 VAL  MGX          21 VAL  HA          6.00    (#   1482:20  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   21 VAL  MGY          21 VAL  HA          6.00    (#   1483:20  Unique         2.41, 3.19 A)
 &rst
  ixpk= 1483, nxpk= 20, iat=  -1, 324, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 328, 329, 330, 332, 333, 334,
 &end
#
#   22 LEU  HN           21 VAL  HA          6.00    (#   1484:20  Unique         2.09, 2.16 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 338, 324, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   15 VAL  HA           21 VAL  MGX         6.00    (#   1485:20  Unique         2.23, 4.13 A)
 &rst
  ixpk= 1485, nxpk= 20, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  20-2:1486    21 VAL  MGY         3.50    (#   1486:20  Single Ambig)
 &rst
  ixpk= 1486, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.32, r4= 8.07,
 igr1= 803, 804, 232, 233, 234, 236, 237, 238, 216, 217,
       218, 220, 221, 222,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   51 GLU  HB+          21 VAL  MGY         4.50    (#   1487:20  Unique         2.17, 4.53 A)
 &rst
  ixpk= 1487, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 803, 804,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   15 VAL  HA           21 VAL  MGY         4.50    (#   1488:20  Unique         2.23, 4.13 A)
 &rst
  ixpk= 1488, nxpk= 20, iat= 228,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#   51 GLU  HN           21 VAL  MGY         6.00    (#   1489:20  Unique         3.42, 5.02 A)
 &rst
  ixpk= 1489, nxpk= 20, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 328, 329, 330, 332, 333, 334,
 &end
#
#    0 AMB  20-2:1490    22 LEU  HA          3.50    (#   1490:20  Single Ambig)
 &rst
  ixpk= 1490, nxpk= 20, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#   22 LEU  HB+          22 LEU  HA          6.00    (#   1491:20  Unique         2.48, 2.83 A)
 &rst
  ixpk= 1491, nxpk= 20, iat=  -1, 340, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 342, 343,
 &end
#
#   23 PHE  HN           22 LEU  HA          3.50    (#   1492:20  Unique         2.10, 2.15 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 357, 340, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   22 LEU  HA           22 LEU  HB+         6.00    (#   1493:20  Unique         2.48, 2.83 A)
 &rst
  ixpk= 1493, nxpk= 20, iat= 340,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 342, 343,
 &end
#
#   40 VAL  HA           22 LEU  HG          6.00    (#   1494:20  Unique         3.70, 4.44 A)
 &rst
  ixpk= 1494, nxpk= 20, iat= 620, 345, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   24 MET  HB-          22 LEU  HG          6.00    (#   1495:20  Unique         4.13, 5.77 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=  -1, 345, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 381, 382,
 &end
#
#    0 AMB  20-2:1496     0 AMB  20-1:1496   8.00    (#   1496:20  Double Ambig)
 &rst
  ixpk= 1496, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=17.12, r4=17.87,
 igr1=1081,  23,1195,1196,1195,1196,
 igr2=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46, 401, 402, 401, 402,
 &end
#
#    0 AMB  20-2:1497    23 PHE  HA          3.50    (#   1497:20  Single Ambig)
 &rst
  ixpk= 1497, nxpk= 20, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 377, 357,
 &end
#
#   23 PHE  HD           23 PHE  HA          4.50    (#   1498:20  Unique         2.27, 3.49 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 365, 373,
 &end
#
#   23 PHE  HB+          23 PHE  HA          4.50    (#   1499:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1, 359, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 361, 362,
 &end
#
#   23 PHE  HA           23 PHE  HB+         6.00    (#   1500:20  Unique         2.47, 2.77 A)
 &rst
  ixpk= 1500, nxpk= 20, iat= 359,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 361, 362,
 &end
#
#    0 AMB  20-2:1501     0 AMB  20-1:1501   6.00    (#   1501:20  Double Ambig)
 &rst
  ixpk= 1501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 357,1208,
 igr2= 361, 362, 361, 362,
 &end
#
#    0 AMB  20-2:1502    24 MET  HA          6.00    (#   1502:20  Single Ambig)
 &rst
  ixpk= 1502, nxpk= 20, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1= 377,1208,
 &end
#
#   25 LYS  HN           24 MET  HA          4.50    (#   1503:20  Unique         2.28, 2.55 A)
 &rst
  ixpk= 1503, nxpk= 20, iat= 394, 379, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1504    24 MET  HA          4.50    (#   1504:20  Single Ambig)
 &rst
  ixpk= 1504, nxpk= 20, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 381, 382,1198,1199,
 &end
#
#   24 MET  HB-          24 MET  HA          4.50    (#   1505:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1, 379, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 381, 382,
 &end
#
#   25 LYS  HN           24 MET  HB+         6.00    (#   1506:20  Unique         2.11, 3.03 A)
 &rst
  ixpk= 1506, nxpk= 20, iat= 394,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 381, 382,
 &end
#
#   84 PHE  HE           99 LEU  MDY         6.00    (#   1507:20  Unique         2.59, 5.17 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1348,1352,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   65 LEU  HN           65 LEU  MDX         6.00    (#   1508:20  Unique         2.65, 4.95 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=1023,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1032,1033,1034,1036,1037,1038,
 &end
#
#   43 LEU  MDX           0 AMB  20-1:1509   6.00    (#   1509:20  Single Ambig)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.24, r4=12.99,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 347, 348, 349, 351, 352, 353, 347, 348, 349, 351,
       352, 353,
 &end
#
#    0 AMB  20-2:1511    27 THR  MG2         6.00    (#   1511:20  Single Ambig)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 845, 846, 475, 476,
 igr2= 429, 430, 431,
 &end
#
#   28 LYS  HE-          28 LYS  HG-         6.00    (#   1512:20  Unique         2.35, 3.11 A)
 &rst
  ixpk= 1512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 450, 451,
 igr2= 444, 445,
 &end
#
#   28 LYS  HB-          28 LYS  HG-         4.50    (#   1513:20  Unique         2.38, 2.76 A)
 &rst
  ixpk= 1513, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 441, 442,
 igr2= 444, 445,
 &end
#
#    0 AMB  20-2:1514     0 AMB  20-1:1514   6.00    (#   1514:20  Double Ambig)
 &rst
  ixpk= 1514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 791, 789, 793,
 igr2= 450, 451, 450, 451,
 &end
#
#   27 THR  HN           31 PRO  HA          6.00    (#   1515:20  Unique         3.04, 3.66 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 423, 501, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   31 PRO  HD+          31 PRO  HB+         6.00    (#   1516:20  Unique         2.80, 3.68 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 492, 493,
 igr2= 498, 499,
 &end
#
#   31 PRO  HA           31 PRO  HG+         6.00    (#   1517:20  Unique         2.95, 3.92 A)
 &rst
  ixpk= 1517, nxpk= 20, iat= 501,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 495, 496,
 &end
#
#    0 AMB  20-2:1518    31 PRO  HD-         6.00    (#   1518:20  Single Ambig)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 471, 481, 485,
 igr2= 492, 493,
 &end
#
#   32 GLN  HN           32 GLN  HB+         6.00    (#   1519:20  Unique         2.35, 3.21 A)
 &rst
  ixpk= 1519, nxpk= 20, iat= 505,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 509, 510,
 &end
#
#    0 AMB  20-2:1520    32 GLN  HB-         8.00    (#   1520:20  Single Ambig)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=14.25, r4=15.00,
 igr1= 401, 402, 401, 402, 347, 348, 349, 351, 352, 353,
       347, 348, 349, 351, 352, 353,
 igr2= 509, 510,
 &end
#
#   94 TYR  HB-          94 TYR  HA          4.50    (#   1521:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1521, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1473,1474,
 &end
#
#    0 AMB  20-2:1522     0 AMB  20-1:1522   4.50    (#   1522:20  Double Ambig)
 &rst
  ixpk= 1522, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1016, 533,
 igr2=1018,1019, 535, 536,
 &end
#
#    0 AMB  20-2:1524    64 GLY  HA-         8.00    (#   1524:20  Single Ambig)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=13.94, r4=14.69,
 igr1=  95,  40,  41,  42,  44,  45,  46,  40,  41,  42,
        44,  45,  46,  38,
 igr2=1018,1019,
 &end
#
#   35 PHE  HA           35 PHE  HB-         6.00    (#   1525:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1525, nxpk= 20, iat= 542,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 544, 545,
 &end
#
#   35 PHE  HD           35 PHE  HB+         6.00    (#   1526:20  Unique         2.28, 3.09 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 548, 556,
 igr2= 544, 545,
 &end
#
#   35 PHE  HD           35 PHE  HB-         6.00    (#   1527:20  Unique         2.28, 3.09 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 548, 556,
 igr2= 544, 545,
 &end
#
#    0 AMB  20-2:1528     0 AMB  20-1:1528   4.50    (#   1528:20  Double Ambig)
 &rst
  ixpk= 1528, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1494,1495, 498, 499, 342, 343,
 igr2=1516,1517, 562,
 &end
#
#    0 AMB  20-2:1529     0 AMB  20-1:1529   3.50    (#   1529:20  Double Ambig)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 562,1516,1517,
 igr2= 564, 565, 564, 565,1514,
 &end
#
#    0 AMB  20-2:1530    37 GLN  HA          4.50    (#   1530:20  Single Ambig)
 &rst
  ixpk= 1530, nxpk= 20, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 575, 576, 578, 579, 578, 579,
 &end
#
#   40 VAL  HB           37 GLN  HA          6.00    (#   1531:20  Unique         2.28, 3.95 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 622, 573, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1532    37 GLN  HA          4.50    (#   1532:20  Single Ambig)
 &rst
  ixpk= 1532, nxpk= 20, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 575, 576, 495, 496,
 &end
#
#   37 GLN  HN           37 GLN  HA          4.50    (#   1534:20  Unique         2.77, 2.84 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 571, 573, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1535    37 GLN  HA          3.50    (#   1535:20  Single Ambig)
 &rst
  ixpk= 1535, nxpk= 20, iat=  -1, 573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 618, 588,
 &end
#
#    1 MET  HA            0 AMB  20-1:1536   6.00    (#   1536:20  Single Ambig)
 &rst
  ixpk= 1536, nxpk= 20, iat=   6,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1003,1004,  68,  69,
 &end
#
#   37 GLN  HN            0 AMB  20-1:1537   6.00    (#   1537:20  Single Ambig)
 &rst
  ixpk= 1537, nxpk= 20, iat= 571,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2= 578, 579, 578, 579,
 &end
#
#    0 AMB  20-2:1538    38 THR  HB          6.00    (#   1538:20  Single Ambig)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1, 592, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 590, 535, 536,
 &end
#
#    0 AMB  20-2:1539    39 VAL  HA          6.00    (#   1539:20  Single Ambig)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 657, 658, 659, 661, 662,
 &end
#
#    0 AMB  20-2:1540     0 AMB  20-1:1540   2.80    (#   1540:20  Double Ambig)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 608, 609, 610, 612, 613, 614, 312, 313, 314, 316,
       317, 318,
 igr2= 606, 772, 773,
 &end
#
#    0 AMB  20-2:1541    40 VAL  MGY         2.80    (#   1541:20  Single Ambig)
 &rst
  ixpk= 1541, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 622, 638, 639,
 igr2= 624, 625, 626, 628, 629, 630,
 &end
#
#   49 PRO  HD+          49 PRO  HG+         4.50    (#   1542:20  Unique         2.30, 2.60 A)
 &rst
  ixpk= 1542, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 766, 767,
 igr2= 769, 770,
 &end
#
#    0 AMB  20-2:1543     0 AMB  20-1:1543   6.00    (#   1543:20  Double Ambig)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
 igr1= 636,1367,1368,1367,1368,
 igr2= 641, 642,1215,1216,1215,1216,
 &end
#
#    0 AMB  20-2:1544     0 AMB  20-1:1544   4.50    (#   1544:20  Double Ambig)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 982, 983,1603,1604,
 igr2= 924,1598,
 &end
#
#    0 AMB  20-2:1545     0 AMB  20-1:1545   2.80    (#   1545:20  Double Ambig)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 985, 986, 985, 986,1448,1449,1448,1449,1585,1586,
      1585,1586,
 igr2= 924,1446,1583,
 &end
#
#   42 ILE  QD1          42 ILE  HA          6.00    (#   1546:20  Unique         4.45, 4.58 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=  -1, 653, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 664, 665, 666,
 &end
#
#   42 ILE  HA           42 ILE  HB          6.00    (#   1547:20  Unique         3.00, 3.02 A)
 &rst
  ixpk= 1547, nxpk= 20, iat= 653, 655, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   43 LEU  HN           42 ILE  HB          6.00    (#   1548:20  Unique         2.67, 2.75 A)
 &rst
  ixpk= 1548, nxpk= 20, iat= 670, 655, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   42 ILE  HN           42 ILE  HG1+        6.00    (#   1549:20  Unique         2.37, 3.18 A)
 &rst
  ixpk= 1549, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 661, 662,
 &end
#
#   42 ILE  HN           42 ILE  QD1         6.00    (#   1550:20  Unique         3.64, 4.45 A)
 &rst
  ixpk= 1550, nxpk= 20, iat= 651,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 664, 665, 666,
 &end
#
#   94 TYR  HN           42 ILE  QD1         6.00    (#   1551:20  Unique         4.37, 5.67 A)
 &rst
  ixpk= 1551, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 664, 665, 666,
 &end
#
#   46 LEU  HG           42 ILE  QG2         6.00    (#   1552:20  Unique         2.97, 6.30 A)
 &rst
  ixpk= 1552, nxpk= 20, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 657, 658, 659,
 &end
#
#   43 LEU  HA           42 ILE  QG2         6.00    (#   1553:20  Unique         3.13, 4.22 A)
 &rst
  ixpk= 1553, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 657, 658, 659,
 &end
#
#   94 TYR  HE           42 ILE  QG2         6.00    (#   1554:20  Unique         3.08, 4.94 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1479,1484,
 igr2= 657, 658, 659,
 &end
#
#   43 LEU  MDY          43 LEU  HB+         6.00    (#   1555:20  Unique         2.30, 3.30 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 679, 680, 681, 683, 684, 685,
 igr2= 674, 675,
 &end
#
#    0 AMB  20-2:1556    43 LEU  HG          6.00    (#   1556:20  Single Ambig)
 &rst
  ixpk= 1556, nxpk= 20, iat=  -1, 677, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 674, 675, 608, 609, 610, 612, 613, 614,
 &end
#
#   40 VAL  HA           43 LEU  MDX         6.00    (#   1557:20  Unique         2.37, 4.99 A)
 &rst
  ixpk= 1557, nxpk= 20, iat= 620,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:1558    43 LEU  MDX         4.50    (#   1558:20  Single Ambig)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 787, 795, 789, 793,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#   43 LEU  HN           43 LEU  MDX         6.00    (#   1559:20  Unique         3.29, 4.36 A)
 &rst
  ixpk= 1559, nxpk= 20, iat= 670,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:1560    43 LEU  MDY         6.00    (#   1560:20  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.66, r4=12.41,
 igr1= 624, 625, 626, 628, 629, 630,1420,1421,1422,
 igr2= 679, 680, 681, 683, 684, 685,
 &end
#
#    0 AMB  20-2:1561     0 AMB  20-1:1561   6.00    (#   1561:20  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 699, 700, 699, 700,1654,1655,
 igr2= 691,1706,
 &end
#
#   44 LYS  HG-           0 AMB  20-1:1562   2.80    (#   1562:20  Single Ambig)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 696, 697,
 igr2= 693, 694, 693, 694,
 &end
#
#  106 ALA  HN            0 AMB  20-1:1563   3.50    (#   1563:20  Single Ambig)
 &rst
  ixpk= 1563, nxpk= 20, iat=1666,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1648,1649,1648,1649,
 &end
#
#    0 AMB  20-2:1564     0 AMB  20-1:1564   6.00    (#   1564:20  Double Ambig)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=11.10, r4=11.85,
 igr1= 789, 793, 787, 795, 791,
 igr2= 699, 700, 699, 700, 699, 700, 699, 700,
 &end
#
#   44 LYS  HA            0 AMB  20-1:1565   6.00    (#   1565:20  Single Ambig)
 &rst
  ixpk= 1565, nxpk= 20, iat= 691,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2= 699, 700, 699, 700,
 &end
#
#    0 AMB  20-2:1566     0 AMB  20-1:1566   4.50    (#   1566:20  Double Ambig)
 &rst
  ixpk= 1566, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 783, 784, 783, 784,
 igr2= 699, 700, 699, 700,
 &end
#
#   40 VAL  MGY           0 AMB  20-1:1567   4.50    (#   1567:20  Single Ambig)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 624, 625, 626, 628, 629, 630,
 igr2= 699, 700, 699, 700,
 &end
#
#   45 SER  HB+          45 SER  HA          2.80    (#   1568:20  Unique         2.40, 2.68 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1, 713, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 715, 716,
 &end
#
#   42 ILE  HA           45 SER  HB+         6.00    (#   1569:20  Unique         2.67, 3.96 A)
 &rst
  ixpk= 1569, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 715, 716,
 &end
#
#   42 ILE  HA           45 SER  HB-         6.00    (#   1570:20  Unique         2.67, 3.96 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 653,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 715, 716,
 &end
#
#   46 LEU  HN           45 SER  HB+         6.00    (#   1571:20  Unique         2.72, 3.50 A)
 &rst
  ixpk= 1571, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 715, 716,
 &end
#
#   46 LEU  HN           45 SER  HB-         6.00    (#   1572:20  Unique         2.72, 3.50 A)
 &rst
  ixpk= 1572, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 715, 716,
 &end
#
#    0 AMB  20-2:1573     0 AMB  20-1:1573   2.80    (#   1573:20  Double Ambig)
 &rst
  ixpk= 1573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1= 965, 966, 967, 969, 970, 971, 731, 732, 733, 735,
       736, 737,
 igr2=1027,1028, 726, 727,
 &end
#
#   46 LEU  MDY          46 LEU  HB-         4.50    (#   1574:20  Unique         2.34, 3.33 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 731, 732, 733, 735, 736, 737,
 igr2= 726, 727,
 &end
#
#   46 LEU  HG           46 LEU  HB+         4.50    (#   1575:20  Unique         2.37, 2.73 A)
 &rst
  ixpk= 1575, nxpk= 20, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 726, 727,
 &end
#
#   43 LEU  HA           46 LEU  HB+         6.00    (#   1576:20  Unique         2.39, 3.14 A)
 &rst
  ixpk= 1576, nxpk= 20, iat= 672,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 726, 727,
 &end
#
#   46 LEU  HN           46 LEU  MDX         6.00    (#   1577:20  Unique         3.90, 5.03 A)
 &rst
  ixpk= 1577, nxpk= 20, iat= 722,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#  100 GLN  HE2+         46 LEU  MDY         6.00    (#   1578:20  Unique         2.39, 5.68 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1576,1577,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   47 ASN  HD2+         47 ASN  HB+         6.00    (#   1579:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 750, 751,
 igr2= 745, 746,
 &end
#
#   49 PRO  HD+          49 PRO  HB+         6.00    (#   1580:20  Unique         2.82, 3.70 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 766, 767,
 igr2= 772, 773,
 &end
#
#    0 AMB  20-2:1581     0 AMB  20-1:1581   8.00    (#   1581:20  Double Ambig)
 &rst
  ixpk= 1581, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1= 583, 584,1581,
 igr2= 495, 496,1568,1569,
 &end
#
#   48 ALA  MB           49 PRO  HD-         4.50    (#   1583:20  Unique         2.25, 3.99 A)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 759, 760, 761,
 igr2= 766, 767,
 &end
#
#    0 AMB  20-2:1584    49 PRO  HD-         3.50    (#   1584:20  Single Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 769, 770, 772, 773,
 igr2= 766, 767,
 &end
#
#   48 ALA  HA           49 PRO  HD-         3.50    (#   1585:20  Unique         2.19, 2.35 A)
 &rst
  ixpk= 1585, nxpk= 20, iat= 757,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 766, 767,
 &end
#
#   51 GLU  HN           50 PHE  HB+         6.00    (#   1586:20  Unique         2.39, 3.37 A)
 &rst
  ixpk= 1586, nxpk= 20, iat= 799,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 783, 784,
 &end
#
#    0 AMB  20-2:1587    50 PHE  HA          4.50    (#   1587:20  Single Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1, 781, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 783, 784, 310,
 &end
#
#   51 GLU  HN           50 PHE  HA          3.50    (#   1588:20  Unique         2.22, 2.34 A)
 &rst
  ixpk= 1588, nxpk= 20, iat= 799, 781, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1589    51 GLU  HA          6.00    (#   1589:20  Single Ambig)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1, 801, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 806, 807, 441, 442,
 &end
#
#   51 GLU  HN           51 GLU  HA          6.00    (#   1590:20  Unique         2.93, 2.98 A)
 &rst
  ixpk= 1590, nxpk= 20, iat= 799, 801, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   21 VAL  MGY          51 GLU  HB-         6.00    (#   1591:20  Unique         2.17, 4.53 A)
 &rst
  ixpk= 1591, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 328, 329, 330, 332, 333, 334,
 igr2= 803, 804,
 &end
#
#   53 VAL  MGX          51 GLU  HG-         6.00    (#   1592:20  Unique         2.35, 6.02 A)
 &rst
  ixpk= 1592, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 831, 832, 833, 835, 836, 837,
 igr2= 806, 807,
 &end
#
#   51 GLU  HA           51 GLU  HG+         6.00    (#   1593:20  Unique         2.67, 3.44 A)
 &rst
  ixpk= 1593, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 806, 807,
 &end
#
#   51 GLU  HA           51 GLU  HG-         6.00    (#   1594:20  Unique         2.67, 3.44 A)
 &rst
  ixpk= 1594, nxpk= 20, iat= 801,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 806, 807,
 &end
#
#   50 PHE  HD           51 GLU  HG+         6.00    (#   1595:20  Unique         5.77, 7.88 A)
 &rst
  ixpk= 1595, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 787, 795,
 igr2= 806, 807,
 &end
#
#    0 AMB  20-2:1596    52 SER  HB-         4.50    (#   1596:20  Single Ambig)
 &rst
  ixpk= 1596, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 789, 793, 787, 795,
 igr2= 818, 819,
 &end
#
#    0 AMB  20-2:1597    52 SER  HB-         4.50    (#   1597:20  Single Ambig)
 &rst
  ixpk= 1597, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 814, 825,
 igr2= 818, 819,
 &end
#
#   52 SER  HB-          52 SER  HA          4.50    (#   1598:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 818, 819,
 &end
#
#   52 SER  HB+          52 SER  HA          4.50    (#   1599:20  Unique         2.39, 2.67 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 818, 819,
 &end
#
#    0 AMB  20-2:1600    52 SER  HA          2.80    (#   1600:20  Single Ambig)
 &rst
  ixpk= 1600, nxpk= 20, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 825, 814,
 &end
#
#   53 VAL  MGY          52 SER  HA          6.00    (#   1601:20  Unique         3.55, 5.79 A)
 &rst
  ixpk= 1601, nxpk= 20, iat=  -1, 816, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 831, 832, 833, 835, 836, 837,
 &end
#
#   53 VAL  HA           53 VAL  HB          6.00    (#   1603:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 827, 829, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   14 VAL  MGY          53 VAL  MGX         6.00    (#   1604:20  Unique         2.32, 5.69 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.90, r4=11.65,
 igr1= 216, 217, 218, 220, 221, 222,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#   52 SER  HA           53 VAL  MGX         6.00    (#   1605:20  Unique         3.55, 5.79 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 816,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 831, 832, 833, 835, 836, 837,
 &end
#
#    0 AMB  20-2:1606    58 ASN  HB-         6.00    (#   1606:20  Single Ambig)
 &rst
  ixpk= 1606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 960, 961, 960, 961,
 igr2= 912, 913,
 &end
#
#   58 ASN  HN           58 ASN  HB+         6.00    (#   1607:20  Unique         2.35, 3.01 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 908,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 912, 913,
 &end
#
#   58 ASN  HD2+         58 ASN  HB+         6.00    (#   1608:20  Unique         2.22, 3.31 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 917, 918,
 igr2= 912, 913,
 &end
#
#   58 ASN  HD2+         58 ASN  HB-         6.00    (#   1609:20  Unique         2.22, 3.31 A)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 917, 918,
 igr2= 912, 913,
 &end
#
#  105 LYS  HG+         105 LYS  HA          6.00    (#   1610:20  Unique         2.39, 3.01 A)
 &rst
  ixpk= 1610, nxpk= 20, iat=  -1,1646, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1651,1652,
 &end
#
#  106 ALA  HN            0 AMB  20-1:1611   4.50    (#   1611:20  Single Ambig)
 &rst
  ixpk= 1611, nxpk= 20, iat=1666,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1646,1598,
 &end
#
#   82 GLU  HB-          82 GLU  HG-         2.80    (#   1612:20  Unique         2.29, 2.71 A)
 &rst
  ixpk= 1612, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1307,1308,
 igr2=1310,1311,
 &end
#
#   82 GLU  HA           82 GLU  HG+         6.00    (#   1613:20  Unique         2.38, 3.05 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=1305,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1310,1311,
 &end
#
#    0 AMB  20-2:1614     0 AMB  20-1:1614   6.00    (#   1614:20  Double Ambig)
 &rst
  ixpk= 1614, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1011,1012,1303,
 igr2= 929, 930,1310,1311,
 &end
#
#    0 AMB  20-2:1615    60 LEU  HA          8.00    (#   1615:20  Single Ambig)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1, 939, r1= 0.00, r2= 1.80, r3=12.10, r4=12.85,
 igr1=  40,  41,  42,  44,  45,  46,  40,  41,  42,  44,
        45,  46,
 &end
#
#   61 LEU  HN           61 LEU  HA          6.00    (#   1616:20  Unique         2.77, 2.89 A)
 &rst
  ixpk= 1616, nxpk= 20, iat= 956, 958, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1617    61 LEU  HA          6.00    (#   1617:20  Single Ambig)
 &rst
  ixpk= 1617, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    0 AMB  20-2:1618    61 LEU  HA          3.50    (#   1618:20  Single Ambig)
 &rst
  ixpk= 1618, nxpk= 20, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 965, 966, 967, 969, 970, 971, 965, 966, 967, 969,
       970, 971,
 &end
#
#   99 LEU  HN            0 AMB  20-1:1619   4.50    (#   1619:20  Single Ambig)
 &rst
  ixpk= 1619, nxpk= 20, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1534,1535,1534,1535,
 &end
#
#   64 GLY  HN           63 GLN  HB+         6.00    (#   1620:20  Unique         2.33, 3.20 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=1016,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1003,1004,
 &end
#
#   65 LEU  HN           64 GLY  HA+         6.00    (#   1621:20  Unique         2.81, 3.29 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=1023,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1018,1019,
 &end
#
#   65 LEU  HN           64 GLY  HA-         6.00    (#   1622:20  Unique         2.81, 3.29 A)
 &rst
  ixpk= 1622, nxpk= 20, iat=1023,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1018,1019,
 &end
#
#    0 AMB  20-2:1623    65 LEU  HA          3.50    (#   1623:20  Single Ambig)
 &rst
  ixpk= 1623, nxpk= 20, iat=  -1,1025, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038, 166, 167, 168, 170, 171, 172,
 &end
#
#   65 LEU  HA           65 LEU  HB+         6.00    (#   1624:20  Unique         2.40, 2.77 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=1025,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1027,1028,
 &end
#
#   65 LEU  HA           65 LEU  HG          6.00    (#   1625:20  Unique         2.91, 3.32 A)
 &rst
  ixpk= 1625, nxpk= 20, iat=1025,1030, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   84 PHE  HB+          79 ILE  QD1         6.00    (#   1626:20  Unique         2.52, 4.58 A)
 &rst
  ixpk= 1626, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1342,1343,
 igr2=1278,1279,1280,
 &end
#
#   80 ASP  HN           79 ILE  QG2         4.50    (#   1627:20  Unique         2.29, 3.61 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=1284,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1271,1272,1273,
 &end
#
#    0 AMB  20-2:1628    79 ILE  QG2         6.00    (#   1628:20  Single Ambig)
 &rst
  ixpk= 1628, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1603,1604,1342,1343,
 igr2=1271,1272,1273,
 &end
#
#   72 PRO  HA           66 LYS  HB+         8.00    (#   1629:20  Unique         2.57, 4.59 A)
 &rst
  ixpk= 1629, nxpk= 20, iat=1156,  -1, r1= 0.00, r2= 1.80, r3= 8.98, r4= 9.73,
 igr2=1046,1047,
 &end
#
#   68 TYR  HN           67 GLU  HA          6.00    (#   1631:20  Unique         3.58, 3.61 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=1079,1066, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   70 SER  HN           67 GLU  HA          6.00    (#   1632:20  Unique         3.35, 3.79 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=1111,1066, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   68 TYR  HN            0 AMB  20-1:1633   6.00    (#   1633:20  Single Ambig)
 &rst
  ixpk= 1633, nxpk= 20, iat=1079,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1068,1069,1068,1069,
 &end
#
#    3 LEU  HB-           0 AMB  20-1:1634   6.00    (#   1634:20  Single Ambig)
 &rst
  ixpk= 1634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=  35,  36,
 igr2=1068,1069,1068,1069,
 &end
#
#    0 AMB  20-2:1635     0 AMB  20-1:1635   6.00    (#   1635:20  Double Ambig)
 &rst
  ixpk= 1635, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1018,1019,1018,1019,
 igr2=1068,1069,1068,1069,
 &end
#
#   68 TYR  HD           69 SER  HA          6.00    (#   1637:20  Unique         3.14, 5.09 A)
 &rst
  ixpk= 1637, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1087,1096,
 &end
#
#   70 SER  HN           69 SER  HA          6.00    (#   1638:20  Unique         3.00, 3.47 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=1111,1102, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   69 SER  HA           69 SER  HB+         6.00    (#   1639:20  Unique         2.34, 2.53 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1104,1105,
 &end
#
#   68 TYR  HE           69 SER  HB+         6.00    (#   1640:20  Unique         4.18, 7.32 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1089,1094,
 igr2=1104,1105,
 &end
#
#   68 TYR  HE           69 SER  HB-         6.00    (#   1641:20  Unique         4.18, 7.32 A)
 &rst
  ixpk= 1641, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1089,1094,
 igr2=1104,1105,
 &end
#
#   69 SER  HN           69 SER  HB-         6.00    (#   1642:20  Unique         2.45, 3.10 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1104,1105,
 &end
#
#   70 SER  HB+          70 SER  HA          2.80    (#   1643:20  Unique         2.34, 2.67 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,1113, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1115,1116,
 &end
#
#   70 SER  HN           70 SER  HB+         6.00    (#   1644:20  Unique         3.11, 3.82 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=1111,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1115,1116,
 &end
#
#   55 ILE  QD1          55 ILE  HA          6.00    (#   1645:20  Unique         3.97, 4.93 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=  -1, 857, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1= 868, 869, 870,
 &end
#
#    0 AMB  20-2:1646    71 TRP  HA          3.50    (#   1646:20  Single Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1147,1148,1126,1127,
 &end
#
#   72 PRO  HD-          71 TRP  HA          4.50    (#   1647:20  Unique         2.14, 2.38 A)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1147,1148,
 &end
#
#   71 TRP  HN           71 TRP  HA          6.00    (#   1648:20  Unique         2.83, 2.89 A)
 &rst
  ixpk= 1648, nxpk= 20, iat=1122,1124, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   69 SER  HB-          71 TRP  HB+         6.00    (#   1649:20  Unique         2.78, 4.88 A)
 &rst
  ixpk= 1649, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1104,1105,
 igr2=1126,1127,
 &end
#
#    0 AMB  20-2:1650     0 AMB  20-1:1650   6.00    (#   1650:20  Double Ambig)
 &rst
  ixpk= 1650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1=1068,1069,1068,1069,
 igr2=  35,  36,  35,  36,
 &end
#
#    3 LEU  HA            3 LEU  HB+         6.00    (#   1651:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=  33,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=  35,  36,
 &end
#
#   72 PRO  HB+          72 PRO  HG+         6.00    (#   1652:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 1652, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1153,1154,
 igr2=1150,1151,
 &end
#
#   72 PRO  HD+          72 PRO  HG-         6.00    (#   1653:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1147,1148,
 igr2=1150,1151,
 &end
#
#   72 PRO  HG-          72 PRO  HD-         6.00    (#   1654:20  Unique         2.32, 2.61 A)
 &rst
  ixpk= 1654, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1150,1151,
 igr2=1147,1148,
 &end
#
#   74 PHE  HA           75 PRO  HA          4.50    (#   1655:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 1655, nxpk= 20, iat=1176,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 PHE  HB+          75 PRO  HA          6.00    (#   1656:20  Unique         2.10, 3.01 A)
 &rst
  ixpk= 1656, nxpk= 20, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1178,1179,
 &end
#
#   76 GLN  HN           75 PRO  HA          4.50    (#   1657:20  Unique         2.21, 2.36 A)
 &rst
  ixpk= 1657, nxpk= 20, iat=1208,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 PRO  HB+          75 PRO  HA          6.00    (#   1658:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1658, nxpk= 20, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1201,1202,
 &end
#
#   75 PRO  HA           75 PRO  HB+         6.00    (#   1660:20  Unique         2.28, 2.60 A)
 &rst
  ixpk= 1660, nxpk= 20, iat=1204,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1201,1202,
 &end
#
#   76 GLN  HN           75 PRO  HB-         6.00    (#   1661:20  Unique         2.57, 3.18 A)
 &rst
  ixpk= 1661, nxpk= 20, iat=1208,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1201,1202,
 &end
#
#   75 PRO  HG-          75 PRO  HB-         6.00    (#   1662:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1198,1199,
 igr2=1201,1202,
 &end
#
#  101 GLU  HN           98 GLU  HA          6.00    (#   1663:20  Unique         3.16, 3.45 A)
 &rst
  ixpk= 1663, nxpk= 20, iat=1581,1532, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1664     0 AMB  20-1:1664   6.00    (#   1664:20  Double Ambig)
 &rst
  ixpk= 1664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1208, 357,
 igr2=1212,1213,1212,1213,1212,1213,
 &end
#
#   77 LEU  MDY          77 LEU  HB-         4.50    (#   1665:20  Unique         2.31, 3.32 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1234,1235,1236,1238,1239,1240,
 igr2=1229,1230,
 &end
#
#   77 LEU  HA           77 LEU  MDX         6.00    (#   1666:20  Unique         2.16, 4.04 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=1227,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   79 ILE  HN           78 TYR  HA          3.50    (#   1667:20  Unique         2.22, 2.28 A)
 &rst
  ixpk= 1667, nxpk= 20, iat=1265,1246, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ILE  HA           79 ILE  HB          6.00    (#   1668:20  Unique         2.51, 2.93 A)
 &rst
  ixpk= 1668, nxpk= 20, iat=1267,1269, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   79 ILE  QD1          79 ILE  HG1-        4.50    (#   1669:20  Unique         2.35, 2.65 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1278,1279,1280,
 igr2=1275,1276,
 &end
#
#   79 ILE  HB           79 ILE  HG1+        6.00    (#   1670:20  Unique         2.40, 2.75 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=1269,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1275,1276,
 &end
#
#  106 ALA  MB           79 ILE  QD1         6.00    (#   1671:20  Unique         2.40, 5.25 A)
 &rst
  ixpk= 1671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1670,1671,1672,
 igr2=1278,1279,1280,
 &end
#
#   84 PHE  HA           79 ILE  QD1         6.00    (#   1672:20  Unique         4.43, 5.97 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=1340,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1278,1279,1280,
 &end
#
#   79 ILE  HA           79 ILE  QD1         6.00    (#   1673:20  Unique         4.46, 4.89 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1278,1279,1280,
 &end
#
#   80 ASP  HN           80 ASP  HA          3.50    (#   1674:20  Unique         2.21, 2.31 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=1284,1286, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 ILE  HA           80 ASP  HA          4.50    (#   1675:20  Unique         4.19, 4.31 A)
 &rst
  ixpk= 1675, nxpk= 20, iat=1267,1286, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1676     0 AMB  20-1:1676   4.50    (#   1676:20  Double Ambig)
 &rst
  ixpk= 1676, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 286,1668,
 igr2=1286, 269,
 &end
#
#    0 AMB  20-2:1677     0 AMB  20-1:1677   6.00    (#   1677:20  Double Ambig)
 &rst
  ixpk= 1677, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.04, r4=10.79,
 igr1=1271,1272,1273, 312, 313, 314, 316, 317, 318,1275,
      1276,
 igr2=1286, 269,
 &end
#
#   80 ASP  HN           80 ASP  HB-         6.00    (#   1678:20  Unique         2.28, 3.14 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=1284,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1288,1289,
 &end
#
#   15 VAL  MGX          81 GLY  HA+         6.00    (#   1680:20  Unique         2.30, 4.93 A)
 &rst
  ixpk= 1680, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 232, 233, 234, 236, 237, 238,
 igr2=1298,1299,
 &end
#
#   15 VAL  MGX          81 GLY  HA-         6.00    (#   1681:20  Unique         2.30, 4.93 A)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1= 232, 233, 234, 236, 237, 238,
 igr2=1298,1299,
 &end
#
#   82 GLU  HN           81 GLY  HA-         6.00    (#   1682:20  Unique         3.23, 3.37 A)
 &rst
  ixpk= 1682, nxpk= 20, iat=1303,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1298,1299,
 &end
#
#   81 GLY  HN           81 GLY  HA-         4.50    (#   1683:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 1683, nxpk= 20, iat=1296,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1298,1299,
 &end
#
#   54 ASN  HD2+         54 ASN  HB-         6.00    (#   1685:20  Unique         2.24, 3.22 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1= 850, 851,
 igr2= 845, 846,
 &end
#
#   27 THR  MG2          54 ASN  HB-         6.00    (#   1686:20  Unique         2.34, 4.36 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 429, 430, 431,
 igr2= 845, 846,
 &end
#
#   84 PHE  HN           84 PHE  HA          6.00    (#   1687:20  Unique         2.94, 2.98 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=1338,1340, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   84 PHE  HN           84 PHE  HB-         6.00    (#   1688:20  Unique         2.46, 2.68 A)
 &rst
  ixpk= 1688, nxpk= 20, iat=1338,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1342,1343,
 &end
#
#   89 ILE  QD1          85 GLY  HA+         6.00    (#   1689:20  Unique         2.44, 4.88 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1408,1409,1410,
 igr2=1360,1361,
 &end
#
#   89 ILE  QD1          85 GLY  HA-         6.00    (#   1690:20  Unique         2.44, 4.88 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1408,1409,1410,
 igr2=1360,1361,
 &end
#
#   89 ILE  HB           85 GLY  HA-         6.00    (#   1691:20  Unique         2.69, 4.77 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1360,1361,
 &end
#
#   89 ILE  HB           85 GLY  HA+         6.00    (#   1692:20  Unique         2.69, 4.77 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=1399,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1360,1361,
 &end
#
#   85 GLY  HN           85 GLY  HA+         6.00    (#   1693:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1360,1361,
 &end
#
#   85 GLY  HN           85 GLY  HA-         6.00    (#   1694:20  Unique         2.38, 2.75 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=1358,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1360,1361,
 &end
#
#    0 AMB  20-2:1695     0 AMB  20-1:1695   6.00    (#   1695:20  Double Ambig)
 &rst
  ixpk= 1695, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1=1365,1135,
 igr2=1367,1368,1367,1368,
 &end
#
#   87 CYS  HB-          87 CYS  HA          6.00    (#   1696:20  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1696, nxpk= 20, iat=  -1,1374, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1376,1377,
 &end
#
#   87 CYS  HA           87 CYS  HB-         6.00    (#   1697:20  Unique         2.40, 2.70 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=1374,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1376,1377,
 &end
#
#   88 ASP  HN           88 ASP  HA          6.00    (#   1698:20  Unique         2.80, 2.84 A)
 &rst
  ixpk= 1698, nxpk= 20, iat=1383,1385, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  QG2          89 ILE  HA          4.50    (#   1699:20  Unique         2.45, 3.44 A)
 &rst
  ixpk= 1699, nxpk= 20, iat=  -1,1397, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1401,1402,1403,
 &end
#
#   89 ILE  QD1          89 ILE  HA          6.00    (#   1700:20  Unique         2.45, 4.55 A)
 &rst
  ixpk= 1700, nxpk= 20, iat=  -1,1397, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr1=1408,1409,1410,
 &end
#
#   89 ILE  HG1+         89 ILE  HA          4.50    (#   1701:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1701, nxpk= 20, iat=  -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1405,1406,
 &end
#
#   89 ILE  HB           89 ILE  HA          6.00    (#   1702:20  Unique         2.41, 2.86 A)
 &rst
  ixpk= 1702, nxpk= 20, iat=1399,1397, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  HG1-         89 ILE  HA          4.50    (#   1703:20  Unique         2.34, 2.80 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=  -1,1397, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1405,1406,
 &end
#
#    0 AMB  20-2:1704    89 ILE  HA          4.50    (#   1704:20  Single Ambig)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1,1397, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1448,1449,1448,1449,
 &end
#
#   89 ILE  HN           89 ILE  HA          4.50    (#   1705:20  Unique         2.85, 2.88 A)
 &rst
  ixpk= 1705, nxpk= 20, iat=1395,1397, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 GLU  HN           89 ILE  HA          6.00    (#   1706:20  Unique         3.17, 3.48 A)
 &rst
  ixpk= 1706, nxpk= 20, iat=1444,1397, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   86 GLY  HN           89 ILE  HB          6.00    (#   1707:20  Unique         2.53, 3.37 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=1365,1399, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   89 ILE  HN           89 ILE  HG1+        6.00    (#   1708:20  Unique         2.06, 3.35 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=1395,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1405,1406,
 &end
#
#   90 THR  HN           89 ILE  QG2         6.00    (#   1709:20  Unique         2.53, 3.99 A)
 &rst
  ixpk= 1709, nxpk= 20, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1401,1402,1403,
 &end
#
#   93 ALA  MB           89 ILE  QG2         6.00    (#   1710:20  Unique         3.30, 5.52 A)
 &rst
  ixpk= 1710, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1463,1464,1465,
 igr2=1401,1402,1403,
 &end
#
#   90 THR  HB           90 THR  HA          4.50    (#   1711:20  Unique         3.03, 3.04 A)
 &rst
  ixpk= 1711, nxpk= 20, iat=1418,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ALA  MB           90 THR  HA          4.50    (#   1712:20  Unique         2.24, 3.43 A)
 &rst
  ixpk= 1712, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1463,1464,1465,
 &end
#
#   90 THR  MG2          90 THR  HA          3.50    (#   1713:20  Unique         2.46, 3.11 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1420,1421,1422,
 &end
#
#    0 AMB  20-2:1714    90 THR  HA          6.00    (#   1714:20  Single Ambig)
 &rst
  ixpk= 1714, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 8.65, r4= 9.40,
 igr1=1401,1402,1403,1234,1235,1236,1238,1239,1240,
 &end
#
#   87 CYS  HA           90 THR  HB          6.00    (#   1715:20  Unique         2.25, 2.43 A)
 &rst
  ixpk= 1715, nxpk= 20, iat=1374,1418, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   39 VAL  HA           90 THR  MG2         6.00    (#   1716:20  Unique         2.61, 4.24 A)
 &rst
  ixpk= 1716, nxpk= 20, iat= 604,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1420,1421,1422,
 &end
#
#   90 THR  HN           90 THR  MG2         6.00    (#   1717:20  Unique         4.47, 4.58 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2=1420,1421,1422,
 &end
#
#   91 VAL  HN           91 VAL  HA          4.50    (#   1718:20  Unique         2.84, 2.85 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=1428,1430, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 TYR  HD           91 VAL  HA          6.00    (#   1719:20  Unique         3.27, 5.06 A)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,1430, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=1477,1486,
 &end
#
#   91 VAL  HA           91 VAL  HB          6.00    (#   1720:20  Unique         3.03, 3.03 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=1430,1432, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   92 GLU  HA           91 VAL  MGX         6.00    (#   1721:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=1446,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1434,1435,1436,1438,1439,1440,
 &end
#
#   92 GLU  HN           92 GLU  HA          3.50    (#   1722:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1722, nxpk= 20, iat=1444,1446, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 VAL  MGX          92 GLU  HA          6.00    (#   1723:20  Unique         3.33, 5.64 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=  -1,1446, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1=1434,1435,1436,1438,1439,1440,
 &end
#
#   91 VAL  MGX          92 GLU  HG+         6.00    (#   1724:20  Unique         3.41, 6.29 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1434,1435,1436,1438,1439,1440,
 igr2=1451,1452,
 &end
#
#    0 AMB  20-2:1725    93 ALA  HA          6.00    (#   1725:20  Single Ambig)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,1461, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1534,1535,1534,1535,
 &end
#
#   93 ALA  HN           93 ALA  HA          6.00    (#   1726:20  Unique         2.84, 2.86 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=1459,1461, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   99 LEU  MDX          93 ALA  MB          6.00    (#   1727:20  Unique         3.47, 5.72 A)
 &rst
  ixpk= 1727, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1463,1464,1465,
 &end
#
#   94 TYR  HN           94 TYR  HA          6.00    (#   1728:20  Unique         2.85, 2.87 A)
 &rst
  ixpk= 1728, nxpk= 20, iat=1469,1471, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1729    94 TYR  HA          6.00    (#   1729:20  Single Ambig)
 &rst
  ixpk= 1729, nxpk= 20, iat=  -1,1471, r1= 0.00, r2= 1.80, r3= 7.85, r4= 8.60,
 igr1= 657, 658, 659, 661, 662,
 &end
#
#   95 LYS  HN           94 TYR  HB+         6.00    (#   1730:20  Unique         2.57, 3.30 A)
 &rst
  ixpk= 1730, nxpk= 20, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1473,1474,
 &end
#
#   95 LYS  HN           94 TYR  HB-         6.00    (#   1731:20  Unique         2.57, 3.30 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1473,1474,
 &end
#
#   94 TYR  HA           94 TYR  HB+         6.00    (#   1732:20  Unique         2.41, 2.74 A)
 &rst
  ixpk= 1732, nxpk= 20, iat=1471,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1473,1474,
 &end
#
#   42 ILE  QG2          94 TYR  HB+         6.00    (#   1733:20  Unique         2.41, 3.80 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr1= 657, 658, 659,
 igr2=1473,1474,
 &end
#
#   99 LEU  MDX          94 TYR  HB+         6.00    (#   1734:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1554,1555,1556,1558,1559,1560,
 igr2=1473,1474,
 &end
#
#   95 LYS  HG+          95 LYS  HA          4.50    (#   1735:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1497,1498,
 &end
#
#   95 LYS  HG-          95 LYS  HA          4.50    (#   1736:20  Unique         2.43, 2.75 A)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1497,1498,
 &end
#
#   95 LYS  HB-          95 LYS  HA          2.80    (#   1737:20  Unique         2.47, 2.79 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=  -1,1492, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1494,1495,
 &end
#
#    0 AMB  20-2:1738     0 AMB  20-1:1738   6.00    (#   1738:20  Double Ambig)
 &rst
  ixpk= 1738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.93, r4=13.68,
 igr1=1657,1658,1657,1658,1657,1658,1503,1504,1503,1504,
      
 igr2=1648,1649,1648,1649,1648,1649,1494,1495,1494,1495,
      
 &end
#
#    0 AMB  20-2:1739     0 AMB  20-1:1739   4.50    (#   1739:20  Double Ambig)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 711,1490,
 igr2= 693, 694, 693, 694,1494,1495,
 &end
#
#   95 LYS  HN           95 LYS  HG+         6.00    (#   1740:20  Unique         2.35, 3.14 A)
 &rst
  ixpk= 1740, nxpk= 20, iat=1490,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1497,1498,
 &end
#
#   98 GLU  HN           98 GLU  HG+         6.00    (#   1741:20  Unique         2.14, 2.83 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=1530,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1537,1538,
 &end
#
#   99 LEU  HN           98 GLU  HG-         6.00    (#   1742:20  Unique         4.14, 4.66 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=1545,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1537,1538,
 &end
#
#  100 GLN  HN           99 LEU  HB+         6.00    (#   1743:20  Unique         2.50, 3.23 A)
 &rst
  ixpk= 1743, nxpk= 20, iat=1564,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1549,1550,
 &end
#
#   46 LEU  HG           99 LEU  MDX         6.00    (#   1744:20  Unique         2.60, 6.76 A)
 &rst
  ixpk= 1744, nxpk= 20, iat= 729,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#   94 TYR  HB+          99 LEU  MDX         6.00    (#   1745:20  Unique         2.22, 5.10 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1473,1474,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:1746    99 LEU  MDX         6.00    (#   1746:20  Single Ambig)
 &rst
  ixpk= 1746, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1545,1444,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#  103 VAL  HN          102 GLN  HA          6.00    (#   1747:20  Unique         3.56, 3.59 A)
 &rst
  ixpk= 1747, nxpk= 20, iat=1613,1598, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    0 AMB  20-2:1748   102 GLN  HA          2.80    (#   1748:20  Single Ambig)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,1598, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1600,1601,1600,1601,
 &end
#
#    0 AMB  20-2:1749     0 AMB  20-1:1749   6.00    (#   1749:20  Double Ambig)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=12.06, r4=12.81,
 igr1=1271,1272,1273,1619,1620,1621,1623,1624,1625,1275,
      1276,
 igr2=1603,1604,1603,1604,1603,1604,
 &end
#
#    0 AMB  20-2:1750   102 GLN  HG-         2.80    (#   1750:20  Single Ambig)
 &rst
  ixpk= 1750, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1600,1601,1600,1601,
 igr2=1603,1604,
 &end
#
#  104 GLU  HB-         104 GLU  HA          3.50    (#   1751:20  Unique         2.46, 2.77 A)
 &rst
  ixpk= 1751, nxpk= 20, iat=  -1,1631, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1633,1634,
 &end
#
#    0 AMB  20-2:1752   104 GLU  HB-         2.80    (#   1752:20  Single Ambig)
 &rst
  ixpk= 1752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1636,1637,1636,1637,
 igr2=1633,1634,
 &end
#
#    0 AMB  20-2:1753   105 LYS  HG-         4.50    (#   1753:20  Single Ambig)
 &rst
  ixpk= 1753, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1648,1649,1648,1649,
 igr2=1651,1652,
 &end
#
#  107 MET  HN          106 ALA  HA          6.00    (#   1754:20  Unique         3.54, 3.59 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=1676,1668, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#  107 MET  HA            0 AMB  20-1:1755   6.00    (#   1755:20  Single Ambig)
 &rst
  ixpk= 1755, nxpk= 20, iat=1678,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr2=1683,1684,1680,1681,
 &end
#
#  104 GLU  HA          107 MET  HB+         6.00    (#   1756:20  Unique         2.51, 3.56 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1631,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1680,1681,
 &end
#
#  109 SER  HA            0 AMB  20-1:1757   2.80    (#   1757:20  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 20, iat=1706,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr2=1708,1709,1708,1709,
 &end
#
#   11 LEU  HN           12 ASP  HA          6.00    (#   1758:20  Unique         5.45, 5.49 A)
 &rst
  ixpk= 1758, nxpk= 20, iat= 157, 178, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#   15 VAL  HN           14 VAL  MGX         6.00    (#   1759:20  Unique         2.46, 4.33 A)
 &rst
  ixpk= 1759, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:1760    14 VAL  MGX         4.50    (#   1760:20  Single Ambig)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 192, 193, 192, 193,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#    0 AMB  20-2:1761    14 VAL  MGY         6.00    (#   1761:20  Single Ambig)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.58, r4=11.33,
 igr1=1252,1261, 267,1254,1259,
 igr2= 216, 217, 218, 220, 221, 222,
 &end
#
#  100 GLN  HA          100 GLN  HG+         6.00    (#   1764:20  Unique         2.43, 2.97 A)
 &rst
  ixpk= 1764, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2=1571,1572,
 &end
#
#   56 LEU  HA           56 LEU  MDX         8.00    (#   1765:20  Unique         2.15, 3.49 A)
 &rst
  ixpk= 1765, nxpk= 20, iat= 876,  -1, r1= 0.00, r2= 1.80, r3=10.78, r4=11.53,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    4 THR  HN            4 THR  HB          6.00    (#   1766:20  Unique         2.79, 3.58 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=  50,  54, r1= 0.00, r2= 1.80, r3= 6.00, r4= 6.75,  &end
#
#    8 LYS  HB+           8 LYS  HE-         4.50    (#   1767:20  Unique         2.14, 3.60 A)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 111, 112,
 igr2= 120, 121,
 &end
#
#    0 AMB  20-2:1768    40 VAL  HA          4.50    (#   1768:20  Single Ambig)
 &rst
  ixpk= 1768, nxpk= 20, iat=  -1, 620, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 624, 625, 626, 628, 629, 630, 608, 609, 610, 612,
       613, 614,
 &end
#
#    5 PRO  HG+           5 PRO  HA          6.00    (#   1769:20  Unique         2.85, 3.74 A)
 &rst
  ixpk= 1769, nxpk= 20, iat=  -1,  74, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr1=  68,  69,
 &end
#
#   41 GLN  HB+          41 GLN  HA          4.50    (#   1770:20  Unique         2.29, 2.76 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=  -1, 636, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 638, 639,
 &end
#
#    0 AMB  20-2:1771    56 LEU  MDY         4.50    (#   1771:20  Single Ambig)
 &rst
  ixpk= 1771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 398, 399, 878, 879,
 igr2= 883, 884, 885, 887, 888, 889,
 &end
#
#    8 LYS  HG-           0 AMB  20-1:1772   3.50    (#   1772:20  Single Ambig)
 &rst
  ixpk= 1772, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 114, 115,
 igr2=  97,  98,  99, 101, 102, 103,  97,  98,  99, 101,
       102, 103,
 &end
#
#    5 PRO  HG-           0 AMB  20-1:1773   4.50    (#   1773:20  Single Ambig)
 &rst
  ixpk= 1773, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  68,  69,
 igr2=  65,  66,  65,  66,
 &end
#
#   39 VAL  MGX          39 VAL  HA          2.80    (#   1774:20  Unique         2.29, 3.17 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=  -1, 604, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 608, 609, 610, 612, 613, 614,
 &end
#
#   33 CYS  HB-          33 CYS  HA          4.50    (#   1775:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=  -1, 524, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 526, 527,
 &end
#
#   33 CYS  HA           33 CYS  HB+         6.00    (#   1776:20  Unique         2.39, 2.64 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 524,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 526, 527,
 &end
#
#    0 AMB  20-2:1777   103 VAL  HB          3.50    (#   1777:20  Single Ambig)
 &rst
  ixpk= 1777, nxpk= 20, iat=  -1,1617, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1619,1620,1621,1623,1624,1625,1554,1555,1556,1558,
      1559,1560,
 &end
#
#    0 AMB  20-2:1778    43 LEU  HB-         6.00    (#   1778:20  Single Ambig)
 &rst
  ixpk= 1778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.49, r4= 9.24,
 igr1= 787, 795, 789, 793,
 igr2= 674, 675,
 &end
#
#    0 AMB  20-2:1779     0 AMB  20-1:1779   6.00    (#   1779:20  Double Ambig)
 &rst
  ixpk= 1779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 787, 795, 789, 793,
 igr2= 674, 675, 674, 675,
 &end
#
#   84 PHE  HZ           99 LEU  MDY         4.50    (#   1780:20  Unique         2.98, 4.79 A)
 &rst
  ixpk= 1780, nxpk= 20, iat=1350,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1554,1555,1556,1558,1559,1560,
 &end
#
#    0 AMB  20-2:1781    56 LEU  HB-         6.00    (#   1781:20  Single Ambig)
 &rst
  ixpk= 1781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.52, r4=10.27,
 igr1= 883, 884, 885, 887, 888, 889, 865, 866,
 igr2= 878, 879,
 &end
#
#    7 LEU  HN            4 THR  HB          8.00    (#   1782:20  Unique         3.31, 5.22 A)
 &rst
  ixpk= 1782, nxpk= 20, iat=  88,  54, r1= 0.00, r2= 1.80, r3= 8.00, r4= 8.75,  &end
#
#   75 PRO  HG-          75 PRO  HD+         6.00    (#   1784:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1198,1199,
 igr2=1195,1196,
 &end
#
#   75 PRO  HG+          75 PRO  HD+         6.00    (#   1785:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1198,1199,
 igr2=1195,1196,
 &end
#
#    0 AMB  20-2:1786    77 LEU  MDY         6.00    (#   1786:20  Single Ambig)
 &rst
  ixpk= 1786, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.71, r4=10.46,
 igr1=1229,1230, 606,
 igr2=1234,1235,1236,1238,1239,1240,
 &end
#
#   24 MET  HN           55 ILE  QG2         6.00    (#   1787:20  Unique         2.34, 3.86 A)
 &rst
  ixpk= 1787, nxpk= 20, iat= 377,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 861, 862, 863,
 &end
#
#    0 AMB  20-2:1788     0 AMB  20-1:1788   4.50    (#   1788:20  Double Ambig)
 &rst
  ixpk= 1788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.69, r4=11.44,
 igr1= 965, 966, 967, 969, 970, 971, 861, 862, 863, 731,
       732, 733, 735, 736, 737,
 igr2=1032,1033,1034,1036,1037,1038,1554,1555,1556,1558,
      1559,1560,
 &end
#
#   68 TYR  HH            8 LYS  HG+         6.00    (#   1789:20  Unique         3.77, 6.16 A)
 &rst
  ixpk= 1789, nxpk= 20, iat=1092,  -1, r1= 0.00, r2= 1.80, r3= 6.73, r4= 7.48,
 igr2= 114, 115,
 &end
#
#   55 ILE  HA           55 ILE  QD1         6.00    (#   1791:20  Unique         3.97, 4.93 A)
 &rst
  ixpk= 1791, nxpk= 20, iat= 857,  -1, r1= 0.00, r2= 1.80, r3= 7.21, r4= 7.96,
 igr2= 868, 869, 870,
 &end
#
#   55 ILE  HN           55 ILE  QD1         4.50    (#   1792:20  Unique         2.19, 4.23 A)
 &rst
  ixpk= 1792, nxpk= 20, iat= 855,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 868, 869, 870,
 &end
#
#    0 AMB  20-2:1793    55 ILE  QD1         4.50    (#   1793:20  Single Ambig)
 &rst
  ixpk= 1793, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1182,1190, 365, 373,
 igr2= 868, 869, 870,
 &end
#
#    0 AMB  20-2:1794    55 ILE  QG2         4.50    (#   1794:20  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1032,1033,1034,1036,1037,1038,1032,1033,1034,1036,
      1037,1038,
 igr2= 861, 862, 863,
 &end
#
#   55 ILE  HG1+         55 ILE  QG2         4.50    (#   1795:20  Unique         2.35, 3.46 A)
 &rst
  ixpk= 1795, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 865, 866,
 igr2= 861, 862, 863,
 &end
#
#   55 ILE  QD1          55 ILE  QG2         4.50    (#   1796:20  Unique         2.24, 3.99 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 868, 869, 870,
 igr2= 861, 862, 863,
 &end
#
#   74 PHE  HE           65 LEU  HB-         6.00    (#   1797:20  Unique         2.61, 5.11 A)
 &rst
  ixpk= 1797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.56, r4= 8.31,
 igr1=1184,1188,
 igr2=1027,1028,
 &end
#
#   59 GLU  HN           60 LEU  MDY         6.00    (#   1798:20  Unique         3.81, 6.78 A)
 &rst
  ixpk= 1798, nxpk= 20, iat= 922,  -1, r1= 0.00, r2= 1.80, r3= 8.09, r4= 8.84,
 igr2= 946, 947, 948, 950, 951, 952,
 &end
#
#   94 TYR  HE           46 LEU  MDX         6.00    (#   1799:20  Unique         2.26, 6.03 A)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1479,1484,
 igr2= 731, 732, 733, 735, 736, 737,
 &end
#
#   94 TYR  HD           46 LEU  MDX         6.00    (#   1800:20  Unique         2.24, 6.29 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.08, r4= 9.83,
 igr1=1477,1486,
 igr2= 731, 732, 733, 735, 736, 737,
 &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  -6.400   1.497  -3.779
    2    H2   MET   1           H2       MET   1  -4.842   1.020  -3.737
    3    H3   MET   1           H3       MET   1  -5.844   0.669  -2.484
    4    HA   MET   1           HA       MET   1  -6.081   3.001  -1.922
    5    HB2  MET   1           HB2      MET   1  -3.179   2.046  -2.076
    6    HB3  MET   1           HB3      MET   1  -3.692   3.521  -1.261
    7    HG2  MET   1           HG2      MET   1  -3.468   1.937   0.425
    8    HG3  MET   1           HG3      MET   1  -5.197   2.173   0.211
    9    HE1  MET   1           HE1      MET   1  -3.894  -0.149   1.933
   10    HE2  MET   1           HE2      MET   1  -5.650   0.042   1.717
   11    HE3  MET   1           HE3      MET   1  -4.889  -1.541   1.450
   12    H    ALA   2           H        ALA   2  -5.390   5.233  -2.243
   13    HA   ALA   2           HA       ALA   2  -5.473   5.929  -5.049
   14    HB1  ALA   2           HB1      ALA   2  -5.738   8.213  -4.144
   15    HB2  ALA   2           HB2      ALA   2  -6.777   7.068  -3.282
   16    HB3  ALA   2           HB3      ALA   2  -5.272   7.645  -2.527
   17    H    LEU   3           H        LEU   3  -2.752   5.499  -2.972
   18    HA   LEU   3           HA       LEU   3  -1.075   7.583  -3.543
   19    HB2  LEU   3           HB2      LEU   3  -0.650   5.907  -1.848
   20    HB3  LEU   3           HB3      LEU   3  -0.401   4.661  -3.071
   21    HG   LEU   3           HG       LEU   3   1.656   5.785  -3.840
   22   HD11  LEU   3          HD11      LEU   3   1.146   8.142  -3.339
   23   HD12  LEU   3          HD12      LEU   3   1.128   7.785  -1.596
   24   HD13  LEU   3          HD13      LEU   3   2.635   7.658  -2.530
   25   HD21  LEU   3          HD21      LEU   3   1.744   4.099  -2.028
   26   HD22  LEU   3          HD22      LEU   3   3.023   5.315  -1.848
   27   HD23  LEU   3          HD23      LEU   3   1.578   5.387  -0.814
   28    H    THR   4           H        THR   4  -0.936   4.525  -5.364
   29    HA   THR   4           HA       THR   4   0.864   5.645  -7.344
   30    HB   THR   4           HB       THR   4   0.472   3.362  -8.483
   31    HG1  THR   4           HG1      THR   4  -0.351   1.823  -7.027
   32   HG21  THR   4          HG21      THR   4   1.952   2.259  -6.835
   33   HG22  THR   4          HG22      THR   4   2.466   3.923  -7.143
   34   HG23  THR   4          HG23      THR   4   1.594   3.531  -5.646
   35    HA   PRO   5           HA       PRO   5  -2.612   5.575 -10.470
   36    HB2  PRO   5           HB2      PRO   5  -5.268   5.501  -9.865
   37    HB3  PRO   5           HB3      PRO   5  -4.254   4.025  -9.954
   38    HG2  PRO   5           HG2      PRO   5  -4.976   5.630  -7.467
   39    HG3  PRO   5           HG3      PRO   5  -5.154   3.862  -7.730
   40    HD2  PRO   5           HD2      PRO   5  -2.989   4.848  -6.468
   41    HD3  PRO   5           HD3      PRO   5  -2.829   3.515  -7.639
   42    H    ALA   6           H        ALA   6  -3.394   7.469  -7.509
   43    HA   ALA   6           HA       ALA   6  -4.255   9.755  -9.261
   44    HB1  ALA   6           HB1      ALA   6  -5.240   8.923  -6.498
   45    HB2  ALA   6           HB2      ALA   6  -5.818  10.300  -7.457
   46    HB3  ALA   6           HB3      ALA   6  -6.088   8.646  -8.035
   47    H    LEU   7           H        LEU   7  -2.658   9.049  -6.075
   48    HA   LEU   7           HA       LEU   7  -2.204  11.844  -5.626
   49    HB2  LEU   7           HB2      LEU   7  -2.420   9.918  -3.917
   50    HB3  LEU   7           HB3      LEU   7  -0.727   9.564  -4.293
   51    HG   LEU   7           HG       LEU   7  -0.092  11.860  -3.539
   52   HD11  LEU   7          HD11      LEU   7  -2.169  13.120  -3.869
   53   HD12  LEU   7          HD12      LEU   7  -3.046  12.042  -2.759
   54   HD13  LEU   7          HD13      LEU   7  -1.788  13.129  -2.149
   55   HD21  LEU   7          HD21      LEU   7  -0.463  11.362  -1.121
   56   HD22  LEU   7          HD22      LEU   7  -1.676  10.152  -1.573
   57   HD23  LEU   7          HD23      LEU   7   0.026   9.927  -2.030
   58    H    LYS   8           H        LYS   8   0.137   9.244  -6.565
   59    HA   LYS   8           HA       LYS   8   2.346  11.049  -6.980
   60    HB2  LYS   8           HB2      LYS   8   1.697   8.276  -8.058
   61    HB3  LYS   8           HB3      LYS   8   3.188   9.150  -8.452
   62    HG2  LYS   8           HG2      LYS   8   3.741   9.341  -6.041
   63    HG3  LYS   8           HG3      LYS   8   2.267   8.472  -5.621
   64    HD2  LYS   8           HD2      LYS   8   4.163   6.968  -5.515
   65    HD3  LYS   8           HD3      LYS   8   3.081   6.463  -6.820
   66    HE2  LYS   8           HE2      LYS   8   4.571   7.514  -8.500
   67    HE3  LYS   8           HE3      LYS   8   5.627   8.124  -7.216
   68    HZ1  LYS   8           HZ1      LYS   8   5.151   5.252  -7.837
   69    HZ2  LYS   8           HZ2      LYS   8   6.506   6.095  -8.187
   70    HZ3  LYS   8           HZ3      LYS   8   6.118   5.795  -6.628
   71    H    THR   9           H        THR   9  -0.258  10.031  -9.222
   72    HA   THR   9           HA       THR   9   0.512  11.425 -11.532
   73    HB   THR   9           HB       THR   9  -2.306  11.114 -10.581
   74    HG1  THR   9           HG1      THR   9  -2.183   8.964 -11.137
   75   HG21  THR   9          HG21      THR   9  -0.947  10.766 -13.273
   76   HG22  THR   9          HG22      THR   9  -2.687  10.559 -12.958
   77   HG23  THR   9          HG23      THR   9  -1.941  12.160 -12.782
   78    H    THR  10           H        THR  10  -1.357  12.580  -8.703
   79    HA   THR  10           HA       THR  10  -1.776  15.268  -9.673
   80    HB   THR  10           HB       THR  10  -1.745  14.223  -6.806
   81    HG1  THR  10           HG1      THR  10  -3.265  13.158  -8.062
   82   HG21  THR  10          HG21      THR  10  -1.649  16.675  -6.843
   83   HG22  THR  10          HG22      THR  10  -2.965  16.738  -8.039
   84   HG23  THR  10          HG23      THR  10  -3.271  16.150  -6.388
   85    H    LEU  11           H        LEU  11   0.696  13.875  -7.466
   86    HA   LEU  11           HA       LEU  11   2.208  16.257  -7.081
   87    HB2  LEU  11           HB2      LEU  11   3.054  13.329  -7.157
   88    HB3  LEU  11           HB3      LEU  11   4.100  14.637  -6.624
   89    HG   LEU  11           HG       LEU  11   1.455  13.960  -5.262
   90   HD11  LEU  11          HD11      LEU  11   2.878  12.927  -3.512
   91   HD12  LEU  11          HD12      LEU  11   3.044  12.092  -5.059
   92   HD13  LEU  11          HD13      LEU  11   4.315  13.208  -4.524
   93   HD21  LEU  11          HD21      LEU  11   2.125  16.283  -4.865
   94   HD22  LEU  11          HD22      LEU  11   2.397  15.328  -3.410
   95   HD23  LEU  11          HD23      LEU  11   3.773  15.759  -4.450
   96    H    ASP  12           H        ASP  12   2.608  13.765  -9.670
   97    HA   ASP  12           HA       ASP  12   4.666  15.100 -11.087
   98    HB2  ASP  12           HB2      ASP  12   3.969  12.781 -11.504
   99    HB3  ASP  12           HB3      ASP  12   2.421  13.340 -12.143
  100    H    LYS  13           H        LYS  13   1.072  15.459 -11.488
  101    HA   LYS  13           HA       LYS  13   1.215  17.524 -13.469
  102    HB2  LYS  13           HB2      LYS  13  -0.875  16.464 -11.597
  103    HB3  LYS  13           HB3      LYS  13  -1.085  18.126 -12.116
  104    HG2  LYS  13           HG2      LYS  13  -2.286  16.772 -13.644
  105    HG3  LYS  13           HG3      LYS  13  -0.896  17.458 -14.491
  106    HD2  LYS  13           HD2      LYS  13   0.310  15.245 -14.141
  107    HD3  LYS  13           HD3      LYS  13  -1.188  14.595 -13.469
  108    HE2  LYS  13           HE2      LYS  13  -0.866  15.746 -16.282
  109    HE3  LYS  13           HE3      LYS  13  -0.787  14.032 -15.883
  110    HZ1  LYS  13           HZ1      LYS  13  -3.180  15.752 -15.507
  111    HZ2  LYS  13           HZ2      LYS  13  -2.985  14.613 -16.660
  112    HZ3  LYS  13           HZ3      LYS  13  -3.087  14.164 -15.092
  113    H    VAL  14           H        VAL  14   1.163  17.850  -9.886
  114    HA   VAL  14           HA       VAL  14   1.439  20.680  -9.853
  115    HB   VAL  14           HB       VAL  14   2.266  18.635  -7.859
  116   HG11  VAL  14          HG11      VAL  14   2.387  21.662  -7.531
  117   HG12  VAL  14          HG12      VAL  14   2.477  20.496  -6.191
  118   HG13  VAL  14          HG13      VAL  14   3.746  20.520  -7.410
  119   HG21  VAL  14          HG21      VAL  14   0.026  20.699  -7.853
  120   HG22  VAL  14          HG22      VAL  14  -0.186  18.986  -8.242
  121   HG23  VAL  14          HG23      VAL  14   0.313  19.457  -6.611
  122    H    VAL  15           H        VAL  15   4.041  18.181  -9.762
  123    HA   VAL  15           HA       VAL  15   6.259  19.912  -9.727
  124    HB   VAL  15           HB       VAL  15   5.833  17.120 -10.645
  125   HG11  VAL  15          HG11      VAL  15   7.702  17.812 -12.074
  126   HG12  VAL  15          HG12      VAL  15   8.553  18.483 -10.663
  127   HG13  VAL  15          HG13      VAL  15   8.258  16.730 -10.803
  128   HG21  VAL  15          HG21      VAL  15   5.830  17.688  -8.188
  129   HG22  VAL  15          HG22      VAL  15   7.103  16.552  -8.638
  130   HG23  VAL  15          HG23      VAL  15   7.493  18.264  -8.360
  131    H    THR  16           H        THR  16   4.478  18.677 -12.573
  132    HA   THR  16           HA       THR  16   6.284  19.992 -14.480
  133    HB   THR  16           HB       THR  16   4.594  19.237 -16.177
  134    HG1  THR  16           HG1      THR  16   3.522  17.726 -14.056
  135   HG21  THR  16          HG21      THR  16   5.141  16.845 -15.962
  136   HG22  THR  16          HG22      THR  16   6.557  17.858 -15.627
  137   HG23  THR  16          HG23      THR  16   5.680  17.096 -14.285
  138    H    SER  17           H        SER  17   3.167  20.832 -13.001
  139    HA   SER  17           HA       SER  17   2.797  23.189 -14.684
  140    HB2  SER  17           HB2      SER  17   1.609  22.554 -11.953
  141    HB3  SER  17           HB3      SER  17   1.053  23.795 -13.086
  142    HG   SER  17           HG       SER  17   0.951  20.977 -13.338
  143    H    HIS  18           H        HIS  18   4.462  22.594 -11.597
  144    HA   HIS  18           HA       HIS  18   5.442  25.423 -11.537
  145    HB2  HIS  18           HB2      HIS  18   4.499  23.803  -9.134
  146    HB3  HIS  18           HB3      HIS  18   5.039  25.478  -9.133
  147    HD1  HIS  18           HD1      HIS  18   3.219  27.243 -10.410
  148    HD2  HIS  18           HD2      HIS  18   1.968  23.326  -9.528
  149    HE1  HIS  18           HE1      HIS  18   0.682  27.252 -10.583
  150    H    LYS  19           H        LYS  19   7.631  25.283 -11.770
  151    HA   LYS  19           HA       LYS  19   9.020  22.833 -11.636
  152    HB2  LYS  19           HB2      LYS  19   9.873  25.745 -11.850
  153    HB3  LYS  19           HB3      LYS  19  11.062  24.438 -11.863
  154    HG2  LYS  19           HG2      LYS  19  10.051  23.393 -13.786
  155    HG3  LYS  19           HG3      LYS  19   8.715  24.557 -13.815
  156    HD2  LYS  19           HD2      LYS  19  10.099  26.355 -14.457
  157    HD3  LYS  19           HD3      LYS  19  11.577  25.540 -13.963
  158    HE2  LYS  19           HE2      LYS  19   9.839  24.598 -16.290
  159    HE3  LYS  19           HE3      LYS  19  11.217  25.703 -16.460
  160    HZ1  LYS  19           HZ1      LYS  19  11.364  22.901 -15.456
  161    HZ2  LYS  19           HZ2      LYS  19  11.999  23.476 -16.848
  162    HZ3  LYS  19           HZ3      LYS  19  12.603  23.949 -15.402
  163    H    VAL  20           H        VAL  20   8.479  24.945  -8.949
  164    HA   VAL  20           HA       VAL  20  10.584  23.500  -7.345
  165    HB   VAL  20           HB       VAL  20   9.540  26.314  -6.911
  166   HG11  VAL  20          HG11      VAL  20  10.197  25.245  -4.790
  167   HG12  VAL  20          HG12      VAL  20  11.755  24.752  -5.495
  168   HG13  VAL  20          HG13      VAL  20  11.384  26.471  -5.229
  169   HG21  VAL  20          HG21      VAL  20  12.258  25.444  -7.977
  170   HG22  VAL  20          HG22      VAL  20  11.004  26.317  -8.877
  171   HG23  VAL  20          HG23      VAL  20  11.812  27.098  -7.515
  172    H    VAL  21           H        VAL  21   9.769  22.212  -5.805
  173    HA   VAL  21           HA       VAL  21   7.060  22.809  -4.664
  174    HB   VAL  21           HB       VAL  21   8.060  20.060  -5.518
  175   HG11  VAL  21          HG11      VAL  21   5.350  20.940  -4.411
  176   HG12  VAL  21          HG12      VAL  21   5.746  19.316  -5.010
  177   HG13  VAL  21          HG13      VAL  21   6.545  19.926  -3.564
  178   HG21  VAL  21          HG21      VAL  21   6.206  20.143  -7.195
  179   HG22  VAL  21          HG22      VAL  21   5.936  21.848  -6.778
  180   HG23  VAL  21          HG23      VAL  21   7.470  21.325  -7.516
  181    H    LEU  22           H        LEU  22   6.823  22.423  -2.525
  182    HA   LEU  22           HA       LEU  22   9.193  21.459  -0.958
  183    HB2  LEU  22           HB2      LEU  22   7.718  24.021  -0.909
  184    HB3  LEU  22           HB3      LEU  22   7.568  23.212   0.630
  185    HG   LEU  22           HG       LEU  22   9.408  24.800   0.573
  186   HD11  LEU  22          HD11      LEU  22  11.070  23.417   1.662
  187   HD12  LEU  22          HD12      LEU  22   9.468  22.813   2.083
  188   HD13  LEU  22          HD13      LEU  22  10.453  21.949   0.884
  189   HD21  LEU  22          HD21      LEU  22  10.028  24.526  -1.830
  190   HD22  LEU  22          HD22      LEU  22  11.415  24.438  -0.737
  191   HD23  LEU  22          HD23      LEU  22  10.773  22.956  -1.443
  192    H    PHE  23           H        PHE  23   8.833  19.898   0.480
  193    HA   PHE  23           HA       PHE  23   6.006  19.199   1.193
  194    HB2  PHE  23           HB2      PHE  23   8.469  17.437   1.034
  195    HB3  PHE  23           HB3      PHE  23   6.861  16.912   1.520
  196    HD1  PHE  23           HD1      PHE  23   4.933  17.584  -0.245
  197    HD2  PHE  23           HD2      PHE  23   9.101  17.103  -1.226
  198    HE1  PHE  23           HE1      PHE  23   4.333  17.244  -2.633
  199    HE2  PHE  23           HE2      PHE  23   8.486  16.673  -3.596
  200    HZ   PHE  23           HZ       PHE  23   6.114  16.764  -4.304
  201    H    MET  24           H        MET  24   5.483  19.786   3.151
  202    HA   MET  24           HA       MET  24   7.238  19.664   5.493
  203    HB2  MET  24           HB2      MET  24   7.079  22.201   5.832
  204    HB3  MET  24           HB3      MET  24   8.198  21.641   4.597
  205    HG2  MET  24           HG2      MET  24   6.649  22.184   2.810
  206    HG3  MET  24           HG3      MET  24   5.400  22.655   3.960
  207    HE1  MET  24           HE1      MET  24   6.300  26.133   5.067
  208    HE2  MET  24           HE2      MET  24   4.990  25.047   4.560
  209    HE3  MET  24           HE3      MET  24   6.064  24.572   5.900
  210    H    LYS  25           H        LYS  25   6.010  20.927   7.381
  211    HA   LYS  25           HA       LYS  25   3.352  19.676   7.471
  212    HB2  LYS  25           HB2      LYS  25   4.938  21.173   9.606
  213    HB3  LYS  25           HB3      LYS  25   3.497  20.179   9.866
  214    HG2  LYS  25           HG2      LYS  25   4.744  18.184   9.018
  215    HG3  LYS  25           HG3      LYS  25   6.199  19.186   8.867
  216    HD2  LYS  25           HD2      LYS  25   5.995  19.744  11.325
  217    HD3  LYS  25           HD3      LYS  25   4.666  18.565  11.426
  218    HE2  LYS  25           HE2      LYS  25   6.202  16.779  10.616
  219    HE3  LYS  25           HE3      LYS  25   7.516  17.964  10.475
  220    HZ1  LYS  25           HZ1      LYS  25   7.379  18.311  12.883
  221    HZ2  LYS  25           HZ2      LYS  25   6.175  17.207  13.027
  222    HZ3  LYS  25           HZ3      LYS  25   7.671  16.739  12.566
  223    H    GLY  26           H        GLY  26   3.575  22.025   5.728
  224    HA2  GLY  26           HA2      GLY  26   1.241  23.562   6.566
  225    HA3  GLY  26           HA3      GLY  26   2.721  24.499   6.665
  226    H    THR  27           H        THR  27   0.855  25.438   5.009
  227    HA   THR  27           HA       THR  27   1.508  24.603   2.221
  228    HB   THR  27           HB       THR  27  -0.458  25.905   1.561
  229    HG1  THR  27           HG1      THR  27  -1.784  26.641   3.344
  230   HG21  THR  27          HG21      THR  27  -2.189  24.500   2.490
  231   HG22  THR  27          HG22      THR  27  -0.747  23.507   2.242
  232   HG23  THR  27          HG23      THR  27  -1.179  24.058   3.879
  233    H    LYS  28           H        LYS  28   1.477  26.575   0.648
  234    HA   LYS  28           HA       LYS  28   3.564  28.439   1.378
  235    HB2  LYS  28           HB2      LYS  28   3.131  29.446  -0.794
  236    HB3  LYS  28           HB3      LYS  28   3.177  27.692  -0.940
  237    HG2  LYS  28           HG2      LYS  28   0.699  27.614  -0.994
  238    HG3  LYS  28           HG3      LYS  28   0.642  29.378  -0.788
  239    HD2  LYS  28           HD2      LYS  28   1.737  29.715  -2.948
  240    HD3  LYS  28           HD3      LYS  28   1.953  27.969  -3.138
  241    HE2  LYS  28           HE2      LYS  28   0.055  28.684  -4.468
  242    HE3  LYS  28           HE3      LYS  28  -0.489  27.624  -3.168
  243    HZ1  LYS  28           HZ1      LYS  28  -1.915  29.584  -3.446
  244    HZ2  LYS  28           HZ2      LYS  28  -1.262  29.584  -1.944
  245    HZ3  LYS  28           HZ3      LYS  28  -0.678  30.591  -3.103
  246    H    ASP  29           H        ASP  29   0.093  28.555   1.720
  247    HA   ASP  29           HA       ASP  29  -0.031  31.444   2.301
  248    HB2  ASP  29           HB2      ASP  29  -2.089  29.203   2.311
  249    HB3  ASP  29           HB3      ASP  29  -2.442  30.868   2.760
  250    H    PHE  30           H        PHE  30   0.168  28.403   4.092
  251    HA   PHE  30           HA       PHE  30   0.499  29.937   6.633
  252    HB2  PHE  30           HB2      PHE  30  -1.093  27.373   6.255
  253    HB3  PHE  30           HB3      PHE  30  -0.687  28.099   7.805
  254    HD1  PHE  30           HD1      PHE  30  -1.644  30.352   8.434
  255    HD2  PHE  30           HD2      PHE  30  -2.951  28.188   4.943
  256    HE1  PHE  30           HE1      PHE  30  -3.692  31.755   8.336
  257    HE2  PHE  30           HE2      PHE  30  -4.993  29.590   4.839
  258    HZ   PHE  30           HZ       PHE  30  -5.374  31.380   6.533
  259    HA   PRO  31           HA       PRO  31   4.183  27.234   5.795
  260    HB2  PRO  31           HB2      PRO  31   5.548  29.672   6.917
  261    HB3  PRO  31           HB3      PRO  31   6.037  28.641   5.538
  262    HG2  PRO  31           HG2      PRO  31   4.921  31.072   5.108
  263    HG3  PRO  31           HG3      PRO  31   4.417  29.663   4.107
  264    HD2  PRO  31           HD2      PRO  31   3.026  30.814   6.551
  265    HD3  PRO  31           HD3      PRO  31   2.353  30.398   4.951
  266    H    GLN  32           H        GLN  32   6.156  26.905   7.427
  267    HA   GLN  32           HA       GLN  32   5.293  27.111  10.271
  268    HB2  GLN  32           HB2      GLN  32   6.482  24.642   8.933
  269    HB3  GLN  32           HB3      GLN  32   6.255  24.833  10.666
  270    HG2  GLN  32           HG2      GLN  32   3.993  24.813   8.614
  271    HG3  GLN  32           HG3      GLN  32   4.556  23.424   9.525
  272   HE21  GLN  32          HE22      GLN  32   2.102  23.506   9.996
  273   HE22  GLN  32          HE21      GLN  32   1.656  24.398  11.452
  274    H    CYS  33           H        CYS  33   6.918  27.709  11.621
  275    HA   CYS  33           HA       CYS  33   9.248  28.914  10.513
  276    HB2  CYS  33           HB2      CYS  33   8.357  28.384  13.385
  277    HB3  CYS  33           HB3      CYS  33   9.758  29.375  12.951
  278    HG   CYS  33           HG       CYS  33   8.491  31.022  11.362
  279    H    GLY  34           H        GLY  34  11.448  28.657  11.236
  280    HA2  GLY  34           HA2      GLY  34  13.369  27.433  11.833
  281    HA3  GLY  34           HA3      GLY  34  12.384  25.977  12.074
  282    H    PHE  35           H        PHE  35  13.002  24.446  10.700
  283    HA   PHE  35           HA       PHE  35  14.747  24.749   8.554
  284    HB2  PHE  35           HB2      PHE  35  12.744  22.506   9.069
  285    HB3  PHE  35           HB3      PHE  35  14.184  22.378   8.080
  286    HD1  PHE  35           HD1      PHE  35  16.455  23.203   9.398
  287    HD2  PHE  35           HD2      PHE  35  12.885  21.609  11.226
  288    HE1  PHE  35           HE1      PHE  35  17.768  22.528  11.390
  289    HE2  PHE  35           HE2      PHE  35  14.206  20.935  13.212
  290    HZ   PHE  35           HZ       PHE  35  16.651  21.395  13.300
  291    H    SER  36           H        SER  36  11.177  24.258   8.319
  292    HA   SER  36           HA       SER  36  11.016  24.280   5.466
  293    HB2  SER  36           HB2      SER  36   8.557  25.096   6.180
  294    HB3  SER  36           HB3      SER  36   9.121  23.439   6.419
  295    HG   SER  36           HG       SER  36   8.706  25.449   8.365
  296    H    GLN  37           H        GLN  37  10.411  27.004   7.787
  297    HA   GLN  37           HA       GLN  37  10.067  29.014   5.830
  298    HB2  GLN  37           HB2      GLN  37   9.513  29.225   8.222
  299    HB3  GLN  37           HB3      GLN  37  11.235  29.235   8.644
  300    HG2  GLN  37           HG2      GLN  37  11.528  31.354   7.383
  301    HG3  GLN  37           HG3      GLN  37   9.838  31.302   6.875
  302   HE21  GLN  37          HE22      GLN  37  10.061  33.596   7.938
  303   HE22  GLN  37          HE21      GLN  37   9.686  33.642   9.655
  304    H    THR  38           H        THR  38  13.137  27.782   7.297
  305    HA   THR  38           HA       THR  38  14.882  29.626   6.035
  306    HB   THR  38           HB       THR  38  15.369  26.764   6.980
  307    HG1  THR  38           HG1      THR  38  14.698  28.047   8.653
  308   HG21  THR  38          HG21      THR  38  17.197  27.470   5.542
  309   HG22  THR  38          HG22      THR  38  17.280  29.047   6.372
  310   HG23  THR  38          HG23      THR  38  17.717  27.547   7.232
  311    H    VAL  39           H        VAL  39  13.970  26.285   5.005
  312    HA   VAL  39           HA       VAL  39  15.336  26.408   2.505
  313    HB   VAL  39           HB       VAL  39  12.857  24.816   3.250
  314   HG11  VAL  39          HG11      VAL  39  13.498  23.354   1.282
  315   HG12  VAL  39          HG12      VAL  39  12.873  24.942   0.834
  316   HG13  VAL  39          HG13      VAL  39  14.613  24.638   0.767
  317   HG21  VAL  39          HG21      VAL  39  14.454  22.935   3.431
  318   HG22  VAL  39          HG22      VAL  39  15.800  24.024   3.028
  319   HG23  VAL  39          HG23      VAL  39  14.903  24.238   4.537
  320    H    VAL  40           H        VAL  40  11.936  27.321   3.285
  321    HA   VAL  40           HA       VAL  40  11.181  28.086   0.643
  322    HB   VAL  40           HB       VAL  40  10.178  28.863   3.392
  323   HG11  VAL  40          HG11      VAL  40   8.173  29.874   2.241
  324   HG12  VAL  40          HG12      VAL  40   9.647  30.839   2.111
  325   HG13  VAL  40          HG13      VAL  40   9.118  29.856   0.730
  326   HG21  VAL  40          HG21      VAL  40   8.247  27.501   2.748
  327   HG22  VAL  40          HG22      VAL  40   8.917  27.265   1.120
  328   HG23  VAL  40          HG23      VAL  40   9.722  26.558   2.530
  329    H    GLN  41           H        GLN  41  12.574  30.115   3.305
  330    HA   GLN  41           HA       GLN  41  12.559  32.566   1.855
  331    HB2  GLN  41           HB2      GLN  41  12.747  32.356   4.309
  332    HB3  GLN  41           HB3      GLN  41  14.345  31.618   4.145
  333    HG2  GLN  41           HG2      GLN  41  15.225  33.715   3.159
  334    HG3  GLN  41           HG3      GLN  41  13.615  34.437   3.221
  335   HE21  GLN  41          HE22      GLN  41  12.678  34.896   5.415
  336   HE22  GLN  41          HE21      GLN  41  13.787  35.089   6.765
  337    H    ILE  42           H        ILE  42  15.107  30.034   2.131
  338    HA   ILE  42           HA       ILE  42  17.135  31.411   0.652
  339    HB   ILE  42           HB       ILE  42  16.535  28.487   1.218
  340   HG12  ILE  42          HG12      ILE  42  18.860  30.306   2.016
  341   HG13  ILE  42          HG13      ILE  42  17.412  30.091   2.992
  342   HG21  ILE  42          HG21      ILE  42  18.768  27.917   0.234
  343   HG22  ILE  42          HG22      ILE  42  17.588  28.401  -0.972
  344   HG23  ILE  42          HG23      ILE  42  18.835  29.554  -0.451
  345   HD11  ILE  42          HD11      ILE  42  19.096  28.675   3.905
  346   HD12  ILE  42          HD12      ILE  42  17.914  27.615   3.114
  347   HD13  ILE  42          HD13      ILE  42  19.484  27.957   2.344
  348    H    LEU  43           H        LEU  43  14.653  29.132  -0.609
  349    HA   LEU  43           HA       LEU  43  15.463  29.394  -3.366
  350    HB2  LEU  43           HB2      LEU  43  12.827  28.618  -2.038
  351    HB3  LEU  43           HB3      LEU  43  13.120  28.462  -3.766
  352    HG   LEU  43           HG       LEU  43  14.863  27.062  -1.688
  353   HD11  LEU  43          HD11      LEU  43  12.533  26.357  -1.427
  354   HD12  LEU  43          HD12      LEU  43  12.420  26.008  -3.162
  355   HD13  LEU  43          HD13      LEU  43  13.514  25.063  -2.127
  356   HD21  LEU  43          HD21      LEU  43  15.444  25.603  -3.618
  357   HD22  LEU  43          HD22      LEU  43  14.446  26.615  -4.681
  358   HD23  LEU  43          HD23      LEU  43  15.903  27.283  -3.911
  359    H    LYS  44           H        LYS  44  12.880  31.015  -1.498
  360    HA   LYS  44           HA       LYS  44  11.876  32.706  -3.499
  361    HB2  LYS  44           HB2      LYS  44  10.947  32.301  -1.239
  362    HB3  LYS  44           HB3      LYS  44  12.202  33.338  -0.541
  363    HG2  LYS  44           HG2      LYS  44  11.337  35.266  -1.806
  364    HG3  LYS  44           HG3      LYS  44  10.182  34.218  -2.657
  365    HD2  LYS  44           HD2      LYS  44   9.137  33.613  -0.477
  366    HD3  LYS  44           HD3      LYS  44  10.210  34.744   0.354
  367    HE2  LYS  44           HE2      LYS  44   8.211  35.497  -1.841
  368    HE3  LYS  44           HE3      LYS  44   7.880  35.611  -0.113
  369    HZ1  LYS  44           HZ1      LYS  44   8.573  37.740  -0.973
  370    HZ2  LYS  44           HZ2      LYS  44   9.709  37.217   0.073
  371    HZ3  LYS  44           HZ3      LYS  44   9.983  37.148  -1.544
  372    H    SER  45           H        SER  45  14.543  33.364  -1.222
  373    HA   SER  45           HA       SER  45  15.282  35.931  -2.228
  374    HB2  SER  45           HB2      SER  45  16.977  33.979  -0.632
  375    HB3  SER  45           HB3      SER  45  17.237  35.718  -0.811
  376    HG   SER  45           HG       SER  45  15.225  34.324   0.584
  377    H    LEU  46           H        LEU  46  16.522  32.667  -3.107
  378    HA   LEU  46           HA       LEU  46  18.698  33.491  -4.732
  379    HB2  LEU  46           HB2      LEU  46  18.218  31.183  -4.028
  380    HB3  LEU  46           HB3      LEU  46  16.750  31.147  -4.978
  381    HG   LEU  46           HG       LEU  46  18.715  29.871  -5.843
  382   HD11  LEU  46          HD11      LEU  46  17.714  31.882  -7.881
  383   HD12  LEU  46          HD12      LEU  46  18.271  30.226  -8.146
  384   HD13  LEU  46          HD13      LEU  46  16.758  30.520  -7.267
  385   HD21  LEU  46          HD21      LEU  46  20.505  30.958  -7.038
  386   HD22  LEU  46          HD22      LEU  46  19.831  32.561  -6.719
  387   HD23  LEU  46          HD23      LEU  46  20.468  31.588  -5.379
  388    H    ASN  47           H        ASN  47  15.279  33.249  -5.368
  389    HA   ASN  47           HA       ASN  47  14.157  35.121  -6.333
  390    HB2  ASN  47           HB2      ASN  47  16.078  36.193  -7.425
  391    HB3  ASN  47           HB3      ASN  47  16.045  34.960  -8.698
  392   HD21  ASN  47          HD22      ASN  47  15.815  36.911 -10.114
  393   HD22  ASN  47          HD21      ASN  47  14.202  37.564 -10.348
  394    H    ALA  48           H        ALA  48  12.934  33.142  -5.890
  395    HA   ALA  48           HA       ALA  48  11.879  31.993  -8.417
  396    HB1  ALA  48           HB1      ALA  48  13.179  30.248  -6.272
  397    HB2  ALA  48           HB2      ALA  48  12.351  29.655  -7.714
  398    HB3  ALA  48           HB3      ALA  48  13.851  30.586  -7.883
  399    HA   PRO  49           HA       PRO  49   8.139  31.430  -5.935
  400    HB2  PRO  49           HB2      PRO  49   6.653  29.870  -7.585
  401    HB3  PRO  49           HB3      PRO  49   7.070  31.550  -8.034
  402    HG2  PRO  49           HG2      PRO  49   8.491  28.996  -8.875
  403    HG3  PRO  49           HG3      PRO  49   7.897  30.327  -9.923
  404    HD2  PRO  49           HD2      PRO  49  10.487  30.193  -9.054
  405    HD3  PRO  49           HD3      PRO  49   9.646  31.755  -9.272
  406    H    PHE  50           H        PHE  50   6.768  29.404  -5.233
  407    HA   PHE  50           HA       PHE  50   8.065  26.824  -5.148
  408    HB2  PHE  50           HB2      PHE  50   8.481  26.721  -2.754
  409    HB3  PHE  50           HB3      PHE  50   9.445  28.008  -3.463
  410    HD1  PHE  50           HD1      PHE  50   8.822  30.410  -3.122
  411    HD2  PHE  50           HD2      PHE  50   6.782  27.198  -1.097
  412    HE1  PHE  50           HE1      PHE  50   7.800  32.042  -1.571
  413    HE2  PHE  50           HE2      PHE  50   5.773  28.821   0.471
  414    HZ   PHE  50           HZ       PHE  50   6.247  31.258   0.227
  415    H    GLU  51           H        GLU  51   6.617  25.208  -4.683
  416    HA   GLU  51           HA       GLU  51   3.875  25.968  -3.722
  417    HB2  GLU  51           HB2      GLU  51   4.823  23.681  -5.486
  418    HB3  GLU  51           HB3      GLU  51   3.211  23.776  -4.778
  419    HG2  GLU  51           HG2      GLU  51   4.432  25.777  -6.722
  420    HG3  GLU  51           HG3      GLU  51   3.223  24.545  -7.095
  421    H    SER  52           H        SER  52   4.361  25.875  -1.475
  422    HA   SER  52           HA       SER  52   5.443  23.424  -0.332
  423    HB2  SER  52           HB2      SER  52   4.036  25.745   0.988
  424    HB3  SER  52           HB3      SER  52   4.763  24.372   1.835
  425    HG   SER  52           HG       SER  52   6.276  26.036   1.721
  426    H    VAL  53           H        VAL  53   4.393  21.590  -0.465
  427    HA   VAL  53           HA       VAL  53   1.433  21.367  -0.211
  428    HB   VAL  53           HB       VAL  53   3.602  19.337  -0.845
  429   HG11  VAL  53          HG11      VAL  53   1.757  18.178   0.300
  430   HG12  VAL  53          HG12      VAL  53   0.575  18.956  -0.777
  431   HG13  VAL  53          HG13      VAL  53   1.741  17.780  -1.419
  432   HG21  VAL  53          HG21      VAL  53   1.470  20.586  -2.626
  433   HG22  VAL  53          HG22      VAL  53   3.218  20.885  -2.710
  434   HG23  VAL  53          HG23      VAL  53   2.588  19.287  -3.109
  435    H    ASN  54           H        ASN  54   0.530  20.880   1.716
  436    HA   ASN  54           HA       ASN  54   2.208  20.468   4.045
  437    HB2  ASN  54           HB2      ASN  54   0.216  21.898   4.085
  438    HB3  ASN  54           HB3      ASN  54  -0.812  20.491   3.810
  439   HD21  ASN  54          HD22      ASN  54  -1.422  21.906   6.030
  440   HD22  ASN  54          HD21      ASN  54  -0.817  21.107   7.469
  441    H    ILE  55           H        ILE  55   3.066  18.531   4.507
  442    HA   ILE  55           HA       ILE  55   2.137  16.020   3.427
  443    HB   ILE  55           HB       ILE  55   3.782  14.947   4.839
  444   HG12  ILE  55          HG12      ILE  55   4.140  17.611   6.267
  445   HG13  ILE  55          HG13      ILE  55   3.476  16.132   6.936
  446   HG21  ILE  55          HG21      ILE  55   4.979  17.538   3.793
  447   HG22  ILE  55          HG22      ILE  55   5.733  15.933   3.860
  448   HG23  ILE  55          HG23      ILE  55   4.402  16.245   2.740
  449   HD11  ILE  55          HD11      ILE  55   5.724  16.348   7.714
  450   HD12  ILE  55          HD12      ILE  55   5.674  14.996   6.567
  451   HD13  ILE  55          HD13      ILE  55   6.349  16.570   6.072
  452    H    LEU  56           H        LEU  56   1.152  17.657   6.357
  453    HA   LEU  56           HA       LEU  56   0.194  15.192   7.617
  454    HB2  LEU  56           HB2      LEU  56   0.858  17.940   8.416
  455    HB3  LEU  56           HB3      LEU  56  -0.717  17.508   9.034
  456    HG   LEU  56           HG       LEU  56   1.023  17.064  10.649
  457   HD11  LEU  56          HD11      LEU  56  -0.076  14.397   9.659
  458   HD12  LEU  56          HD12      LEU  56   0.477  14.790  11.295
  459   HD13  LEU  56          HD13      LEU  56  -0.969  15.580  10.640
  460   HD21  LEU  56          HD21      LEU  56   2.910  16.656   9.146
  461   HD22  LEU  56          HD22      LEU  56   2.755  15.345  10.323
  462   HD23  LEU  56          HD23      LEU  56   2.223  15.096   8.651
  463    H    GLU  57           H        GLU  57  -1.176  17.037   5.209
  464    HA   GLU  57           HA       GLU  57  -3.957  16.963   6.076
  465    HB2  GLU  57           HB2      GLU  57  -2.617  17.391   3.381
  466    HB3  GLU  57           HB3      GLU  57  -4.365  17.436   3.602
  467    HG2  GLU  57           HG2      GLU  57  -2.430  19.246   5.098
  468    HG3  GLU  57           HG3      GLU  57  -3.265  19.687   3.610
  469    H    ASN  58           H        ASN  58  -1.839  14.536   4.737
  470    HA   ASN  58           HA       ASN  58  -4.014  12.583   4.671
  471    HB2  ASN  58           HB2      ASN  58  -4.145  13.700   2.437
  472    HB3  ASN  58           HB3      ASN  58  -2.465  13.283   2.130
  473   HD21  ASN  58          HD22      ASN  58  -4.320  12.514   0.275
  474   HD22  ASN  58          HD21      ASN  58  -4.588  10.782   0.382
  475    H    GLU  59           H        GLU  59  -3.216  10.666   5.427
  476    HA   GLU  59           HA       GLU  59  -0.467  10.320   6.150
  477    HB2  GLU  59           HB2      GLU  59  -2.710   8.279   5.856
  478    HB3  GLU  59           HB3      GLU  59  -1.134   7.954   6.594
  479    HG2  GLU  59           HG2      GLU  59  -1.549   9.706   8.296
  480    HG3  GLU  59           HG3      GLU  59  -3.149  10.002   7.607
  481    H    LEU  60           H        LEU  60  -2.148   9.497   3.118
  482    HA   LEU  60           HA       LEU  60  -0.046   7.829   2.074
  483    HB2  LEU  60           HB2      LEU  60  -2.162   9.478   0.642
  484    HB3  LEU  60           HB3      LEU  60  -1.140   8.257  -0.110
  485    HG   LEU  60           HG       LEU  60  -3.238   7.738   2.035
  486   HD11  LEU  60          HD11      LEU  60  -4.445   6.608   0.204
  487   HD12  LEU  60          HD12      LEU  60  -4.160   8.314  -0.183
  488   HD13  LEU  60          HD13      LEU  60  -3.159   7.058  -0.940
  489   HD21  LEU  60          HD21      LEU  60  -1.444   6.095   2.290
  490   HD22  LEU  60          HD22      LEU  60  -2.826   5.326   1.515
  491   HD23  LEU  60          HD23      LEU  60  -1.419   5.794   0.537
  492    H    LEU  61           H        LEU  61  -0.425  11.359   2.210
  493    HA   LEU  61           HA       LEU  61   1.916  11.863   0.480
  494    HB2  LEU  61           HB2      LEU  61   0.389  13.614   2.471
  495    HB3  LEU  61           HB3      LEU  61   1.800  14.167   1.603
  496    HG   LEU  61           HG       LEU  61  -0.765  13.262   0.236
  497   HD11  LEU  61          HD11      LEU  61  -1.170  15.671  -0.114
  498   HD12  LEU  61          HD12      LEU  61  -1.107  15.289   1.613
  499   HD13  LEU  61          HD13      LEU  61   0.282  16.070   0.831
  500   HD21  LEU  61          HD21      LEU  61   1.241  13.079  -1.244
  501   HD22  LEU  61          HD22      LEU  61   0.201  14.415  -1.748
  502   HD23  LEU  61          HD23      LEU  61   1.682  14.753  -0.839
  503    H    ARG  62           H        ARG  62   1.272  12.016   4.013
  504    HA   ARG  62           HA       ARG  62   3.851  12.505   4.869
  505    HB2  ARG  62           HB2      ARG  62   1.438  12.153   6.078
  506    HB3  ARG  62           HB3      ARG  62   2.201  10.655   6.577
  507    HG2  ARG  62           HG2      ARG  62   3.204  13.502   7.058
  508    HG3  ARG  62           HG3      ARG  62   2.449  12.428   8.239
  509    HD2  ARG  62           HD2      ARG  62   4.424  10.846   7.903
  510    HD3  ARG  62           HD3      ARG  62   5.191  12.153   6.963
  511    HE   ARG  62           HE       ARG  62   4.309  13.172   9.480
  512   HH11  ARG  62          HH11      ARG  62   6.842  11.054   8.213
  513   HH12  ARG  62          HH12      ARG  62   7.906  11.363   9.551
  514   HH21  ARG  62          HH21      ARG  62   5.727  13.517  11.202
  515   HH22  ARG  62          HH22      ARG  62   7.286  12.747  11.212
  516    H    GLN  63           H        GLN  63   2.498   9.257   4.152
  517    HA   GLN  63           HA       GLN  63   5.058   7.903   4.801
  518    HB2  GLN  63           HB2      GLN  63   2.430   6.944   3.589
  519    HB3  GLN  63           HB3      GLN  63   3.798   5.895   3.960
  520    HG2  GLN  63           HG2      GLN  63   3.623   6.315   6.328
  521    HG3  GLN  63           HG3      GLN  63   2.423   7.592   6.090
  522   HE21  GLN  63          HE22      GLN  63   0.370   6.882   4.891
  523   HE22  GLN  63          HE21      GLN  63  -0.279   5.296   5.341
  524    H    GLY  64           H        GLY  64   3.190   8.684   1.792
  525    HA2  GLY  64           HA2      GLY  64   4.899   7.127   0.102
  526    HA3  GLY  64           HA3      GLY  64   3.641   8.283  -0.400
  527    H    LEU  65           H        LEU  65   4.966  10.605   0.930
  528    HA   LEU  65           HA       LEU  65   6.648  11.393  -1.263
  529    HB2  LEU  65           HB2      LEU  65   6.059  12.599   1.460
  530    HB3  LEU  65           HB3      LEU  65   7.108  13.390   0.288
  531    HG   LEU  65           HG       LEU  65   4.219  12.629  -0.338
  532   HD11  LEU  65          HD11      LEU  65   5.440  15.216   0.690
  533   HD12  LEU  65          HD12      LEU  65   3.787  15.081   0.042
  534   HD13  LEU  65          HD13      LEU  65   4.247  14.204   1.514
  535   HD21  LEU  65          HD21      LEU  65   4.537  14.348  -2.140
  536   HD22  LEU  65          HD22      LEU  65   6.263  14.426  -1.726
  537   HD23  LEU  65          HD23      LEU  65   5.554  12.925  -2.361
  538    H    LYS  66           H        LYS  66   7.477   9.743   1.690
  539    HA   LYS  66           HA       LYS  66  10.338  10.254   1.614
  540    HB2  LYS  66           HB2      LYS  66   9.048   9.439   3.589
  541    HB3  LYS  66           HB3      LYS  66   8.708   7.924   2.736
  542    HG2  LYS  66           HG2      LYS  66  11.153   7.421   2.672
  543    HG3  LYS  66           HG3      LYS  66  11.477   8.964   3.466
  544    HD2  LYS  66           HD2      LYS  66  11.614   7.204   5.098
  545    HD3  LYS  66           HD3      LYS  66  10.194   8.202   5.462
  546    HE2  LYS  66           HE2      LYS  66   8.712   6.516   4.414
  547    HE3  LYS  66           HE3      LYS  66  10.117   5.556   3.924
  548    HZ1  LYS  66           HZ1      LYS  66   9.119   4.690   5.962
  549    HZ2  LYS  66           HZ2      LYS  66  10.631   5.215   6.280
  550    HZ3  LYS  66           HZ3      LYS  66   9.338   6.108   6.741
  551    H    GLU  67           H        GLU  67   8.194   7.841   0.075
  552    HA   GLU  67           HA       GLU  67  10.424   6.391  -1.199
  553    HB2  GLU  67           HB2      GLU  67   7.398   6.131  -1.483
  554    HB3  GLU  67           HB3      GLU  67   8.592   5.091  -2.261
  555    HG2  GLU  67           HG2      GLU  67   9.500   4.505   0.017
  556    HG3  GLU  67           HG3      GLU  67   8.149   5.389   0.735
  557    H    TYR  68           H        TYR  68   8.056   8.883  -2.116
  558    HA   TYR  68           HA       TYR  68   8.394   8.926  -4.905
  559    HB2  TYR  68           HB2      TYR  68   6.743  10.176  -3.413
  560    HB3  TYR  68           HB3      TYR  68   8.031  11.322  -3.063
  561    HD1  TYR  68           HD2      TYR  68   6.064   9.804  -5.848
  562    HD2  TYR  68           HD1      TYR  68   8.327  13.212  -4.497
  563    HE1  TYR  68           HE2      TYR  68   5.344  11.077  -7.874
  564    HE2  TYR  68           HE1      TYR  68   7.613  14.489  -6.503
  565    HH   TYR  68           HH       TYR  68   6.426  14.432  -8.467
  566    H    SER  69           H        SER  69  10.458  10.340  -2.387
  567    HA   SER  69           HA       SER  69  12.450  11.377  -4.337
  568    HB2  SER  69           HB2      SER  69  13.519  12.206  -2.218
  569    HB3  SER  69           HB3      SER  69  11.865  12.808  -2.465
  570    HG   SER  69           HG       SER  69  12.038  12.114  -0.333
  571    H    SER  70           H        SER  70  12.437   9.346  -1.458
  572    HA   SER  70           HA       SER  70  13.439   7.206  -1.107
  573    HB2  SER  70           HB2      SER  70  14.556   7.062  -3.362
  574    HB3  SER  70           HB3      SER  70  15.821   8.147  -2.744
  575    HG   SER  70           HG       SER  70  16.107   6.555  -1.037
  576    H    TRP  71           H        TRP  71  13.891  10.392  -0.481
  577    HA   TRP  71           HA       TRP  71  16.201  10.259   1.331
  578    HB2  TRP  71           HB2      TRP  71  16.060  12.155  -0.060
  579    HB3  TRP  71           HB3      TRP  71  14.372  12.439   0.318
  580    HD1  TRP  71           HD1      TRP  71  13.776  13.810   2.433
  581    HE1  TRP  71           HE1      TRP  71  15.093  15.187   4.127
  582    HE3  TRP  71           HE3      TRP  71  18.512  12.303   1.178
  583    HZ2  TRP  71           HZ2      TRP  71  17.856  15.569   4.890
  584    HZ3  TRP  71           HZ3      TRP  71  20.466  13.188   2.422
  585    HH2  TRP  71           HH2      TRP  71  20.156  14.807   4.278
  586    HA   PRO  72           HA       PRO  72  13.347   9.560   4.771
  587    HB2  PRO  72           HB2      PRO  72  15.107   9.343   6.824
  588    HB3  PRO  72           HB3      PRO  72  15.021   8.121   5.522
  589    HG2  PRO  72           HG2      PRO  72  16.965  10.441   5.772
  590    HG3  PRO  72           HG3      PRO  72  17.330   8.726   5.410
  591    HD2  PRO  72           HD2      PRO  72  17.051  10.651   3.461
  592    HD3  PRO  72           HD3      PRO  72  16.603   8.941   3.195
  593    H    THR  73           H        THR  73  12.271  10.804   6.182
  594    HA   THR  73           HA       THR  73  11.551  12.402   7.567
  595    HB   THR  73           HB       THR  73  12.942  13.781   8.904
  596    HG1  THR  73           HG1      THR  73  14.771  13.229   6.888
  597   HG21  THR  73          HG21      THR  73  14.449  12.192   9.916
  598   HG22  THR  73          HG22      THR  73  12.968  11.349   9.430
  599   HG23  THR  73          HG23      THR  73  14.449  11.174   8.464
  600    H    PHE  74           H        PHE  74  11.211  14.726   7.939
  601    HA   PHE  74           HA       PHE  74  11.239  16.283   5.402
  602    HB2  PHE  74           HB2      PHE  74   8.982  15.953   7.418
  603    HB3  PHE  74           HB3      PHE  74   8.945  17.073   6.068
  604    HD1  PHE  74           HD2      PHE  74   9.022  16.210   3.690
  605    HD2  PHE  74           HD1      PHE  74   8.473  13.610   7.088
  606    HE1  PHE  74           HE2      PHE  74   8.222  14.402   2.184
  607    HE2  PHE  74           HE1      PHE  74   7.665  11.811   5.579
  608    HZ   PHE  74           HZ       PHE  74   7.553  12.195   3.131
  609    HA   PRO  75           HA       PRO  75  10.003  18.784   5.206
  610    HB2  PRO  75           HB2      PRO  75  12.201  20.849   5.051
  611    HB3  PRO  75           HB3      PRO  75  10.457  21.029   4.690
  612    HG2  PRO  75           HG2      PRO  75  11.432  21.909   7.047
  613    HG3  PRO  75           HG3      PRO  75   9.913  20.945   7.045
  614    HD2  PRO  75           HD2      PRO  75  12.749  19.983   7.583
  615    HD3  PRO  75           HD3      PRO  75  11.273  19.707   8.547
  616    H    GLN  76           H        GLN  76  10.449  18.860   2.908
  617    HA   GLN  76           HA       GLN  76  13.081  17.814   1.990
  618    HB2  GLN  76           HB2      GLN  76  11.743  15.850   2.439
  619    HB3  GLN  76           HB3      GLN  76  10.364  16.517   1.579
  620    HG2  GLN  76           HG2      GLN  76  11.614  16.374  -0.568
  621    HG3  GLN  76           HG3      GLN  76  13.019  15.733   0.298
  622   HE21  GLN  76          HE22      GLN  76   9.642  14.942  -0.760
  623   HE22  GLN  76          HE21      GLN  76   9.832  13.225  -0.419
  624    H    LEU  77           H        LEU  77  13.746  18.785   0.204
  625    HA   LEU  77           HA       LEU  77  11.990  20.701  -1.223
  626    HB2  LEU  77           HB2      LEU  77  14.249  21.170  -0.045
  627    HB3  LEU  77           HB3      LEU  77  15.009  20.288  -1.349
  628    HG   LEU  77           HG       LEU  77  13.447  22.892  -1.500
  629   HD11  LEU  77          HD11      LEU  77  15.656  23.874  -2.008
  630   HD12  LEU  77          HD12      LEU  77  15.711  22.981  -0.489
  631   HD13  LEU  77          HD13      LEU  77  16.401  22.266  -1.959
  632   HD21  LEU  77          HD21      LEU  77  14.417  23.072  -3.868
  633   HD22  LEU  77          HD22      LEU  77  14.670  21.313  -3.791
  634   HD23  LEU  77          HD23      LEU  77  13.034  22.015  -3.659
  635    H    TYR  78           H        TYR  78  11.481  20.463  -3.376
  636    HA   TYR  78           HA       TYR  78  12.781  18.350  -5.013
  637    HB2  TYR  78           HB2      TYR  78  10.662  17.614  -3.762
  638    HB3  TYR  78           HB3      TYR  78   9.777  18.716  -4.792
  639    HD1  TYR  78           HD2      TYR  78   9.894  18.309  -7.369
  640    HD2  TYR  78           HD1      TYR  78  11.165  15.434  -4.417
  641    HE1  TYR  78           HE2      TYR  78   9.685  16.483  -9.040
  642    HE2  TYR  78           HE1      TYR  78  10.931  13.606  -6.084
  643    HH   TYR  78           HH       TYR  78  10.360  13.063  -8.241
  644    H    ILE  79           H        ILE  79  13.041  18.825  -7.150
  645    HA   ILE  79           HA       ILE  79  11.867  21.303  -8.285
  646    HB   ILE  79           HB       ILE  79  14.282  21.839  -9.070
  647   HG12  ILE  79          HG12      ILE  79  15.009  20.416  -6.472
  648   HG13  ILE  79          HG13      ILE  79  15.374  19.818  -8.093
  649   HG21  ILE  79          HG21      ILE  79  13.477  22.482  -6.213
  650   HG22  ILE  79          HG22      ILE  79  14.518  23.449  -7.283
  651   HG23  ILE  79          HG23      ILE  79  12.819  23.247  -7.675
  652   HD11  ILE  79          HD11      ILE  79  16.470  22.350  -6.803
  653   HD12  ILE  79          HD12      ILE  79  17.346  20.868  -7.221
  654   HD13  ILE  79          HD13      ILE  79  16.722  21.909  -8.512
  655    H    ASP  80           H        ASP  80  11.367  21.171 -10.295
  656    HA   ASP  80           HA       ASP  80  10.936  20.327 -12.353
  657    HB2  ASP  80           HB2      ASP  80  12.920  21.853 -12.359
  658    HB3  ASP  80           HB3      ASP  80  13.961  20.436 -12.508
  659    H    GLY  81           H        GLY  81  10.981  18.075 -10.584
  660    HA2  GLY  81           HA2      GLY  81  10.349  15.845 -11.238
  661    HA3  GLY  81           HA3      GLY  81  11.502  15.907 -12.580
  662    H    GLU  82           H        GLU  82  12.989  17.039  -9.664
  663    HA   GLU  82           HA       GLU  82  13.634  14.319  -8.691
  664    HB2  GLU  82           HB2      GLU  82  15.262  15.003 -10.523
  665    HB3  GLU  82           HB3      GLU  82  15.819  16.297  -9.463
  666    HG2  GLU  82           HG2      GLU  82  16.587  14.648  -7.817
  667    HG3  GLU  82           HG3      GLU  82  15.822  13.338  -8.721
  668    H    PHE  83           H        PHE  83  14.445  14.227  -6.543
  669    HA   PHE  83           HA       PHE  83  13.729  16.527  -4.874
  670    HB2  PHE  83           HB2      PHE  83  13.785  15.125  -3.066
  671    HB3  PHE  83           HB3      PHE  83  13.236  14.056  -4.344
  672    HD1  PHE  83           HD1      PHE  83  14.905  12.379  -5.366
  673    HD2  PHE  83           HD2      PHE  83  15.821  14.767  -1.890
  674    HE1  PHE  83           HE1      PHE  83  16.817  10.893  -4.838
  675    HE2  PHE  83           HE2      PHE  83  17.755  13.316  -1.401
  676    HZ   PHE  83           HZ       PHE  83  18.264  11.369  -2.874
  677    H    PHE  84           H        PHE  84  15.138  17.637  -3.472
  678    HA   PHE  84           HA       PHE  84  18.044  17.542  -4.207
  679    HB2  PHE  84           HB2      PHE  84  16.674  19.655  -4.556
  680    HB3  PHE  84           HB3      PHE  84  16.572  19.783  -2.808
  681    HD1  PHE  84           HD2      PHE  84  18.854  19.788  -5.731
  682    HD2  PHE  84           HD1      PHE  84  18.540  20.451  -1.478
  683    HE1  PHE  84           HE2      PHE  84  21.126  20.780  -5.715
  684    HE2  PHE  84           HE1      PHE  84  20.827  21.409  -1.466
  685    HZ   PHE  84           HZ       PHE  84  22.116  21.584  -3.597
  686    H    GLY  85           H        GLY  85  15.810  17.420  -1.429
  687    HA2  GLY  85           HA2      GLY  85  16.550  15.757   0.316
  688    HA3  GLY  85           HA3      GLY  85  18.084  16.620   0.380
  689    H    GLY  86           H        GLY  86  17.823  17.010   2.576
  690    HA2  GLY  86           HA2      GLY  86  15.474  18.491   3.610
  691    HA3  GLY  86           HA3      GLY  86  16.804  17.788   4.551
  692    H    CYS  87           H        CYS  87  16.182  20.011   5.536
  693    HA   CYS  87           HA       CYS  87  17.020  22.430   4.293
  694    HB2  CYS  87           HB2      CYS  87  15.439  22.237   6.190
  695    HB3  CYS  87           HB3      CYS  87  16.774  21.780   7.272
  696    HG   CYS  87           HG       CYS  87  18.208  23.999   6.816
  697    H    ASP  88           H        ASP  88  18.893  20.313   6.537
  698    HA   ASP  88           HA       ASP  88  21.187  21.968   6.740
  699    HB2  ASP  88           HB2      ASP  88  20.948  18.932   6.787
  700    HB3  ASP  88           HB3      ASP  88  22.399  19.830   7.232
  701    H    ILE  89           H        ILE  89  20.499  19.386   4.370
  702    HA   ILE  89           HA       ILE  89  22.837  19.716   2.728
  703    HB   ILE  89           HB       ILE  89  20.037  18.859   1.845
  704   HG12  ILE  89          HG12      ILE  89  20.632  17.396   3.659
  705   HG13  ILE  89          HG13      ILE  89  20.772  16.532   2.144
  706   HG21  ILE  89          HG21      ILE  89  21.428  19.346  -0.074
  707   HG22  ILE  89          HG22      ILE  89  22.773  18.401   0.588
  708   HG23  ILE  89          HG23      ILE  89  21.269  17.602   0.077
  709   HD11  ILE  89          HD11      ILE  89  22.606  15.944   3.650
  710   HD12  ILE  89          HD12      ILE  89  23.257  16.778   2.229
  711   HD13  ILE  89          HD13      ILE  89  23.105  17.636   3.783
  712    H    THR  90           H        THR  90  19.645  21.275   2.567
  713    HA   THR  90           HA       THR  90  20.088  22.852   0.223
  714    HB   THR  90           HB       THR  90  18.246  23.433   2.576
  715    HG1  THR  90           HG1      THR  90  17.792  21.414   1.698
  716   HG21  THR  90          HG21      THR  90  18.509  25.362   1.003
  717   HG22  THR  90          HG22      THR  90  18.050  24.277  -0.335
  718   HG23  THR  90          HG23      THR  90  16.896  24.651   0.957
  719    H    VAL  91           H        VAL  91  20.492  23.702   3.678
  720    HA   VAL  91           HA       VAL  91  21.361  26.385   3.239
  721    HB   VAL  91           HB       VAL  91  21.723  24.469   5.565
  722   HG11  VAL  91          HG11      VAL  91  22.357  26.453   6.957
  723   HG12  VAL  91          HG12      VAL  91  23.596  26.032   5.780
  724   HG13  VAL  91          HG13      VAL  91  22.520  27.417   5.473
  725   HG21  VAL  91          HG21      VAL  91  19.403  25.367   5.026
  726   HG22  VAL  91          HG22      VAL  91  20.003  25.838   6.624
  727   HG23  VAL  91          HG23      VAL  91  20.039  26.998   5.287
  728    H    GLU  92           H        GLU  92  23.333  23.355   3.670
  729    HA   GLU  92           HA       GLU  92  25.854  24.749   3.414
  730    HB2  GLU  92           HB2      GLU  92  25.093  21.818   3.100
  731    HB3  GLU  92           HB3      GLU  92  26.746  22.430   2.966
  732    HG2  GLU  92           HG2      GLU  92  26.540  23.415   5.271
  733    HG3  GLU  92           HG3      GLU  92  24.973  22.625   5.434
  734    H    ALA  93           H        ALA  93  23.732  23.094   1.009
  735    HA   ALA  93           HA       ALA  93  25.535  23.421  -1.201
  736    HB1  ALA  93           HB1      ALA  93  23.504  22.887  -2.511
  737    HB2  ALA  93           HB2      ALA  93  23.709  21.781  -1.144
  738    HB3  ALA  93           HB3      ALA  93  22.506  23.091  -1.055
  739    H    TYR  94           H        TYR  94  22.907  25.550   0.061
  740    HA   TYR  94           HA       TYR  94  23.064  27.501  -2.019
  741    HB2  TYR  94           HB2      TYR  94  21.214  27.253  -0.380
  742    HB3  TYR  94           HB3      TYR  94  22.277  27.777   0.911
  743    HD1  TYR  94           HD1      TYR  94  21.276  28.992  -2.535
  744    HD2  TYR  94           HD2      TYR  94  21.914  29.971   1.623
  745    HE1  TYR  94           HE1      TYR  94  20.523  31.317  -2.967
  746    HE2  TYR  94           HE2      TYR  94  21.157  32.299   1.189
  747    HH   TYR  94           HH       TYR  94  20.118  33.380  -2.069
  748    H    LYS  95           H        LYS  95  24.822  27.245   1.073
  749    HA   LYS  95           HA       LYS  95  26.437  29.630   0.712
  750    HB2  LYS  95           HB2      LYS  95  26.692  27.125   2.427
  751    HB3  LYS  95           HB3      LYS  95  27.838  28.470   2.511
  752    HG2  LYS  95           HG2      LYS  95  26.105  30.027   3.185
  753    HG3  LYS  95           HG3      LYS  95  24.840  28.809   2.977
  754    HD2  LYS  95           HD2      LYS  95  25.863  27.406   4.738
  755    HD3  LYS  95           HD3      LYS  95  27.142  28.602   4.979
  756    HE2  LYS  95           HE2      LYS  95  24.156  29.171   5.337
  757    HE3  LYS  95           HE3      LYS  95  25.222  28.661   6.652
  758    HZ1  LYS  95           HZ1      LYS  95  25.009  31.060   6.619
  759    HZ2  LYS  95           HZ2      LYS  95  26.553  30.664   6.278
  760    HZ3  LYS  95           HZ3      LYS  95  25.553  31.164   5.081
  761    H    SER  96           H        SER  96  26.863  26.241  -0.298
  762    HA   SER  96           HA       SER  96  29.598  26.685  -1.284
  763    HB2  SER  96           HB2      SER  96  27.709  24.347  -1.725
  764    HB3  SER  96           HB3      SER  96  29.459  24.374  -2.003
  765    HG   SER  96           HG       SER  96  28.022  24.478   0.440
  766    H    GLY  97           H        GLY  97  26.495  27.335  -2.625
  767    HA2  GLY  97           HA2      GLY  97  26.055  28.404  -4.669
  768    HA3  GLY  97           HA3      GLY  97  27.633  27.881  -5.308
  769    H    GLU  98           H        GLU  98  26.323  25.176  -3.959
  770    HA   GLU  98           HA       GLU  98  25.883  23.949  -6.554
  771    HB2  GLU  98           HB2      GLU  98  25.428  22.807  -3.766
  772    HB3  GLU  98           HB3      GLU  98  25.520  21.898  -5.279
  773    HG2  GLU  98           HG2      GLU  98  27.884  22.765  -5.561
  774    HG3  GLU  98           HG3      GLU  98  27.759  23.486  -3.950
  775    H    LEU  99           H        LEU  99  23.690  24.842  -3.813
  776    HA   LEU  99           HA       LEU  99  21.291  23.892  -5.125
  777    HB2  LEU  99           HB2      LEU  99  21.407  24.459  -2.676
  778    HB3  LEU  99           HB3      LEU  99  21.644  26.152  -3.105
  779    HG   LEU  99           HG       LEU  99  19.357  26.062  -4.282
  780   HD11  LEU  99          HD11      LEU  99  17.797  24.305  -3.596
  781   HD12  LEU  99          HD12      LEU  99  19.164  23.569  -4.443
  782   HD13  LEU  99          HD13      LEU  99  19.073  23.493  -2.665
  783   HD21  LEU  99          HD21      LEU  99  19.618  27.187  -2.188
  784   HD22  LEU  99          HD22      LEU  99  18.122  26.235  -2.118
  785   HD23  LEU  99          HD23      LEU  99  19.590  25.656  -1.296
  786    H    GLN 100           H        GLN 100  23.045  27.009  -5.200
  787    HA   GLN 100           HA       GLN 100  21.096  28.474  -6.699
  788    HB2  GLN 100           HB2      GLN 100  24.134  28.852  -6.747
  789    HB3  GLN 100           HB3      GLN 100  22.905  30.021  -7.204
  790    HG2  GLN 100           HG2      GLN 100  22.081  30.019  -4.808
  791    HG3  GLN 100           HG3      GLN 100  23.398  28.931  -4.392
  792   HE21  GLN 100          HE22      GLN 100  24.637  30.303  -3.001
  793   HE22  GLN 100          HE21      GLN 100  25.324  31.805  -3.594
  794    H    GLU 101           H        GLU 101  24.004  26.650  -7.828
  795    HA   GLU 101           HA       GLU 101  23.572  26.800 -10.603
  796    HB2  GLU 101           HB2      GLU 101  25.609  25.920  -9.478
  797    HB3  GLU 101           HB3      GLU 101  24.687  24.531  -8.910
  798    HG2  GLU 101           HG2      GLU 101  24.239  24.030 -11.432
  799    HG3  GLU 101           HG3      GLU 101  25.514  25.208 -11.748
  800    H    GLN 102           H        GLN 102  22.396  24.216  -8.323
  801    HA   GLN 102           HA       GLN 102  21.066  22.828 -10.441
  802    HB2  GLN 102           HB2      GLN 102  20.925  22.556  -7.421
  803    HB3  GLN 102           HB3      GLN 102  20.087  21.471  -8.535
  804    HG2  GLN 102           HG2      GLN 102  23.110  21.919  -8.463
  805    HG3  GLN 102           HG3      GLN 102  22.263  20.521  -7.808
  806   HE21  GLN 102          HE21      GLN 102  24.177  21.336 -10.394
  807   HE22  GLN 102          HE22      GLN 102  23.436  20.288 -11.590
  808    H    VAL 103           H        VAL 103  19.806  25.276  -8.172
  809    HA   VAL 103           HA       VAL 103  17.051  24.974  -9.037
  810    HB   VAL 103           HB       VAL 103  18.511  27.280  -7.726
  811   HG11  VAL 103          HG11      VAL 103  16.616  28.284  -8.905
  812   HG12  VAL 103          HG12      VAL 103  15.530  26.996  -8.329
  813   HG13  VAL 103          HG13      VAL 103  16.208  28.174  -7.192
  814   HG21  VAL 103          HG21      VAL 103  16.389  25.358  -6.632
  815   HG22  VAL 103          HG22      VAL 103  18.123  25.138  -6.373
  816   HG23  VAL 103          HG23      VAL 103  17.318  26.565  -5.717
  817    H    GLU 104           H        GLU 104  19.801  27.061 -10.239
  818    HA   GLU 104           HA       GLU 104  18.262  28.271 -12.333
  819    HB2  GLU 104           HB2      GLU 104  21.230  27.701 -11.991
  820    HB3  GLU 104           HB3      GLU 104  20.571  28.379 -13.486
  821    HG2  GLU 104           HG2      GLU 104  19.538  30.236 -12.186
  822    HG3  GLU 104           HG3      GLU 104  20.304  29.624 -10.722
  823    H    LYS 105           H        LYS 105  20.158  25.193 -12.267
  824    HA   LYS 105           HA       LYS 105  19.540  24.385 -14.907
  825    HB2  LYS 105           HB2      LYS 105  21.287  23.375 -13.514
  826    HB3  LYS 105           HB3      LYS 105  20.065  22.719 -12.423
  827    HG2  LYS 105           HG2      LYS 105  20.946  20.993 -13.893
  828    HG3  LYS 105           HG3      LYS 105  19.217  21.224 -14.149
  829    HD2  LYS 105           HD2      LYS 105  19.648  22.503 -16.206
  830    HD3  LYS 105           HD3      LYS 105  21.404  22.414 -15.920
  831    HE2  LYS 105           HE2      LYS 105  21.340  19.964 -16.148
  832    HE3  LYS 105           HE3      LYS 105  19.571  19.994 -16.268
  833    HZ1  LYS 105           HZ1      LYS 105  21.402  21.248 -18.245
  834    HZ2  LYS 105           HZ2      LYS 105  20.621  19.827 -18.460
  835    HZ3  LYS 105           HZ3      LYS 105  19.760  21.219 -18.335
  836    H    ALA 106           H        ALA 106  17.645  23.847 -11.896
  837    HA   ALA 106           HA       ALA 106  15.513  22.383 -13.078
  838    HB1  ALA 106           HB1      ALA 106  15.890  22.580 -10.656
  839    HB2  ALA 106           HB2      ALA 106  15.494  24.307 -10.702
  840    HB3  ALA 106           HB3      ALA 106  14.249  23.114 -11.073
  841    H    MET 107           H        MET 107  16.142  25.892 -13.165
  842    HA   MET 107           HA       MET 107  13.497  26.511 -14.261
  843    HB2  MET 107           HB2      MET 107  16.020  28.188 -14.063
  844    HB3  MET 107           HB3      MET 107  14.471  28.757 -14.694
  845    HG2  MET 107           HG2      MET 107  14.936  27.687 -11.888
  846    HG3  MET 107           HG3      MET 107  14.789  29.383 -12.332
  847    HE1  MET 107           HE1      MET 107  13.053  29.494 -10.291
  848    HE2  MET 107           HE2      MET 107  11.605  28.472 -10.179
  849    HE3  MET 107           HE3      MET 107  13.216  27.739 -10.045
  850    H    CYS 108           H        CYS 108  16.803  26.249 -15.741
  851    HA   CYS 108           HA       CYS 108  15.659  26.730 -18.384
  852    HB2  CYS 108           HB2      CYS 108  17.913  26.595 -19.178
  853    HB3  CYS 108           HB3      CYS 108  17.912  27.527 -17.672
  854    HG   CYS 108           HG       CYS 108  18.558  24.276 -18.061
  855    H    SER 109           H        SER 109  16.360  23.807 -16.612
  856    HA   SER 109           HA       SER 109  16.231  21.591 -17.040
  857    HB2  SER 109           HB2      SER 109  14.274  22.349 -19.238
  858    HB3  SER 109           HB3      SER 109  14.485  20.741 -18.522
  859    HG   SER 109           HG       SER 109  13.811  21.545 -16.518
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  -2.173  -0.809   1.792
    2    H2   MET   1           H2       MET   1  -1.474  -0.110   3.092
    3    H3   MET   1           H3       MET   1  -3.078   0.087   2.816
    4    HA   MET   1           HA       MET   1  -2.631   1.323   0.779
    5    HB2  MET   1           HB2      MET   1  -1.335   2.384   3.329
    6    HB3  MET   1           HB3      MET   1  -1.425   3.340   1.848
    7    HG2  MET   1           HG2      MET   1  -3.894   3.107   1.840
    8    HG3  MET   1           HG3      MET   1  -3.804   2.254   3.391
    9    HE1  MET   1           HE1      MET   1  -5.591   4.011   4.305
   10    HE2  MET   1           HE2      MET   1  -5.347   5.774   4.290
   11    HE3  MET   1           HE3      MET   1  -5.583   4.894   2.761
   12    H    ALA   2           H        ALA   2  -1.075   2.504  -0.518
   13    HA   ALA   2           HA       ALA   2   1.771   1.952  -0.427
   14    HB1  ALA   2           HB1      ALA   2   0.941  -0.206  -1.370
   15    HB2  ALA   2           HB2      ALA   2   0.065   0.688  -2.633
   16    HB3  ALA   2           HB3      ALA   2   1.841   0.710  -2.586
   17    H    LEU   3           H        LEU   3   2.764   2.881  -2.586
   18    HA   LEU   3           HA       LEU   3   1.784   5.580  -2.929
   19    HB2  LEU   3           HB2      LEU   3   4.165   4.930  -2.844
   20    HB3  LEU   3           HB3      LEU   3   3.976   3.970  -4.309
   21    HG   LEU   3           HG       LEU   3   3.572   6.012  -5.628
   22   HD11  LEU   3          HD11      LEU   3   3.962   8.253  -4.673
   23   HD12  LEU   3          HD12      LEU   3   2.568   7.482  -3.901
   24   HD13  LEU   3          HD13      LEU   3   4.119   7.547  -3.053
   25   HD21  LEU   3          HD21      LEU   3   6.095   6.143  -3.935
   26   HD22  LEU   3          HD22      LEU   3   5.850   5.137  -5.381
   27   HD23  LEU   3          HD23      LEU   3   5.848   6.901  -5.526
   28    H    THR   4           H        THR   4   0.896   2.691  -4.540
   29    HA   THR   4           HA       THR   4   0.718   3.440  -7.234
   30    HB   THR   4           HB       THR   4  -0.855   1.501  -7.434
   31    HG1  THR   4           HG1      THR   4  -1.224   0.323  -5.551
   32   HG21  THR   4          HG21      THR   4   1.609   1.208  -7.525
   33   HG22  THR   4          HG22      THR   4   1.642   0.964  -5.766
   34   HG23  THR   4          HG23      THR   4   0.789  -0.192  -6.813
   35    HA   PRO   5           HA       PRO   5  -3.908   4.804  -6.673
   36    HB2  PRO   5           HB2      PRO   5  -3.418   6.705  -4.382
   37    HB3  PRO   5           HB3      PRO   5  -4.921   5.827  -4.826
   38    HG2  PRO   5           HG2      PRO   5  -3.399   4.919  -2.803
   39    HG3  PRO   5           HG3      PRO   5  -4.033   3.752  -4.014
   40    HD2  PRO   5           HD2      PRO   5  -1.295   5.050  -3.911
   41    HD3  PRO   5           HD3      PRO   5  -1.705   3.320  -4.125
   42    H    ALA   6           H        ALA   6  -4.863   7.126  -6.972
   43    HA   ALA   6           HA       ALA   6  -3.412   8.471  -8.984
   44    HB1  ALA   6           HB1      ALA   6  -5.336  10.022  -8.939
   45    HB2  ALA   6           HB2      ALA   6  -5.876   8.340  -8.810
   46    HB3  ALA   6           HB3      ALA   6  -5.837   9.377  -7.360
   47    H    LEU   7           H        LEU   7  -2.892   8.817  -5.651
   48    HA   LEU   7           HA       LEU   7  -2.093  11.551  -5.411
   49    HB2  LEU   7           HB2      LEU   7  -2.329  10.034  -3.510
   50    HB3  LEU   7           HB3      LEU   7  -1.040   8.997  -4.096
   51    HG   LEU   7           HG       LEU   7  -0.527  10.514  -2.153
   52   HD11  LEU   7          HD11      LEU   7   1.261   9.477  -3.585
   53   HD12  LEU   7          HD12      LEU   7   1.402  11.025  -4.444
   54   HD13  LEU   7          HD13      LEU   7   1.730  10.942  -2.713
   55   HD21  LEU   7          HD21      LEU   7  -1.692  12.547  -2.962
   56   HD22  LEU   7          HD22      LEU   7  -0.020  12.849  -2.464
   57   HD23  LEU   7          HD23      LEU   7  -0.421  12.773  -4.185
   58    H    LYS   8           H        LYS   8  -0.194   8.663  -6.547
   59    HA   LYS   8           HA       LYS   8   2.207  10.101  -7.007
   60    HB2  LYS   8           HB2      LYS   8   1.818   7.585  -6.935
   61    HB3  LYS   8           HB3      LYS   8   1.226   7.691  -8.600
   62    HG2  LYS   8           HG2      LYS   8   3.484   8.764  -9.189
   63    HG3  LYS   8           HG3      LYS   8   3.992   8.409  -7.526
   64    HD2  LYS   8           HD2      LYS   8   3.552   5.971  -7.956
   65    HD3  LYS   8           HD3      LYS   8   3.088   6.369  -9.624
   66    HE2  LYS   8           HE2      LYS   8   5.358   7.369  -9.995
   67    HE3  LYS   8           HE3      LYS   8   5.826   6.890  -8.355
   68    HZ1  LYS   8           HZ1      LYS   8   5.452   4.560  -9.016
   69    HZ2  LYS   8           HZ2      LYS   8   5.040   5.016 -10.533
   70    HZ3  LYS   8           HZ3      LYS   8   6.563   5.258  -9.989
   71    H    THR   9           H        THR   9  -0.511   9.498  -9.303
   72    HA   THR   9           HA       THR   9   0.448  10.848 -11.563
   73    HB   THR   9           HB       THR   9  -2.419  10.803 -10.725
   74    HG1  THR   9           HG1      THR   9  -2.390   8.637 -11.628
   75   HG21  THR   9          HG21      THR   9  -0.981  10.290 -13.351
   76   HG22  THR   9          HG22      THR   9  -2.747  10.319 -13.118
   77   HG23  THR   9          HG23      THR   9  -1.802  11.810 -12.911
   78    H    THR  10           H        THR  10  -1.378  12.091  -8.769
   79    HA   THR  10           HA       THR  10  -1.649  14.814  -9.707
   80    HB   THR  10           HB       THR  10  -1.731  13.734  -6.853
   81    HG1  THR  10           HG1      THR  10  -3.248  12.684  -8.073
   82   HG21  THR  10          HG21      THR  10  -2.824  16.283  -8.126
   83   HG22  THR  10          HG22      THR  10  -3.245  15.695  -6.498
   84   HG23  THR  10          HG23      THR  10  -1.582  16.167  -6.865
   85    H    LEU  11           H        LEU  11   0.611  13.250  -7.448
   86    HA   LEU  11           HA       LEU  11   2.238  15.419  -6.769
   87    HB2  LEU  11           HB2      LEU  11   2.104  13.132  -5.762
   88    HB3  LEU  11           HB3      LEU  11   2.941  12.459  -7.141
   89    HG   LEU  11           HG       LEU  11   4.256  12.711  -5.067
   90   HD11  LEU  11          HD11      LEU  11   5.444  14.347  -7.342
   91   HD12  LEU  11          HD12      LEU  11   6.317  13.503  -6.057
   92   HD13  LEU  11          HD13      LEU  11   5.405  12.574  -7.264
   93   HD21  LEU  11          HD21      LEU  11   3.233  14.895  -4.370
   94   HD22  LEU  11          HD22      LEU  11   4.994  14.802  -4.257
   95   HD23  LEU  11          HD23      LEU  11   4.246  15.706  -5.592
   96    H    ASP  12           H        ASP  12   2.782  13.045  -9.428
   97    HA   ASP  12           HA       ASP  12   4.972  14.323 -10.665
   98    HB2  ASP  12           HB2      ASP  12   4.208  12.047 -11.172
   99    HB3  ASP  12           HB3      ASP  12   2.725  12.680 -11.892
  100    H    LYS  13           H        LYS  13   1.436  14.785 -11.384
  101    HA   LYS  13           HA       LYS  13   1.778  16.811 -13.333
  102    HB2  LYS  13           HB2      LYS  13  -0.298  15.570 -12.969
  103    HB3  LYS  13           HB3      LYS  13  -0.511  16.315 -11.377
  104    HG2  LYS  13           HG2      LYS  13  -0.859  18.510 -12.373
  105    HG3  LYS  13           HG3      LYS  13  -0.382  17.908 -13.970
  106    HD2  LYS  13           HD2      LYS  13  -2.783  18.158 -13.876
  107    HD3  LYS  13           HD3      LYS  13  -2.371  16.441 -14.033
  108    HE2  LYS  13           HE2      LYS  13  -2.754  16.108 -11.606
  109    HE3  LYS  13           HE3      LYS  13  -3.091  17.838 -11.402
  110    HZ1  LYS  13           HZ1      LYS  13  -4.709  15.986 -13.068
  111    HZ2  LYS  13           HZ2      LYS  13  -5.132  16.543 -11.591
  112    HZ3  LYS  13           HZ3      LYS  13  -5.023  17.577 -12.847
  113    H    VAL  14           H        VAL  14   1.461  17.217  -9.777
  114    HA   VAL  14           HA       VAL  14   1.717  20.071  -9.849
  115    HB   VAL  14           HB       VAL  14   2.233  18.145  -7.636
  116   HG11  VAL  14          HG11      VAL  14   2.180  21.184  -7.464
  117   HG12  VAL  14          HG12      VAL  14   2.165  20.077  -6.070
  118   HG13  VAL  14          HG13      VAL  14   3.576  20.145  -7.127
  119   HG21  VAL  14          HG21      VAL  14  -0.148  18.411  -8.413
  120   HG22  VAL  14          HG22      VAL  14   0.093  18.979  -6.757
  121   HG23  VAL  14          HG23      VAL  14  -0.023  20.145  -8.093
  122    H    VAL  15           H        VAL  15   4.203  17.496  -9.451
  123    HA   VAL  15           HA       VAL  15   6.462  19.151  -9.185
  124    HB   VAL  15           HB       VAL  15   6.026  16.374 -10.112
  125   HG11  VAL  15          HG11      VAL  15   8.780  17.668 -10.086
  126   HG12  VAL  15          HG12      VAL  15   8.431  15.931 -10.263
  127   HG13  VAL  15          HG13      VAL  15   7.931  17.043 -11.522
  128   HG21  VAL  15          HG21      VAL  15   7.310  15.846  -8.082
  129   HG22  VAL  15          HG22      VAL  15   7.629  17.573  -7.822
  130   HG23  VAL  15          HG23      VAL  15   5.972  16.942  -7.694
  131    H    THR  16           H        THR  16   4.928  18.011 -12.275
  132    HA   THR  16           HA       THR  16   6.928  19.391 -13.895
  133    HB   THR  16           HB       THR  16   5.422  18.829 -15.781
  134    HG1  THR  16           HG1      THR  16   3.641  17.500 -15.288
  135   HG21  THR  16          HG21      THR  16   5.996  16.485 -13.904
  136   HG22  THR  16          HG22      THR  16   5.726  16.394 -15.652
  137   HG23  THR  16          HG23      THR  16   7.156  17.224 -15.021
  138    H    SER  17           H        SER  17   3.591  20.156 -12.896
  139    HA   SER  17           HA       SER  17   3.385  22.479 -14.571
  140    HB2  SER  17           HB2      SER  17   1.835  21.876 -12.022
  141    HB3  SER  17           HB3      SER  17   1.387  23.032 -13.287
  142    HG   SER  17           HG       SER  17   1.489  20.206 -13.381
  143    H    HIS  18           H        HIS  18   4.518  22.196 -11.189
  144    HA   HIS  18           HA       HIS  18   4.967  25.171 -11.115
  145    HB2  HIS  18           HB2      HIS  18   4.667  23.133  -8.864
  146    HB3  HIS  18           HB3      HIS  18   4.900  24.868  -8.669
  147    HD1  HIS  18           HD1      HIS  18   2.748  26.448  -9.173
  148    HD2  HIS  18           HD2      HIS  18   2.198  22.309  -9.642
  149    HE1  HIS  18           HE1      HIS  18   0.236  26.076  -9.355
  150    H    LYS  19           H        LYS  19   6.758  22.363 -11.574
  151    HA   LYS  19           HA       LYS  19   8.909  21.716 -11.436
  152    HB2  LYS  19           HB2      LYS  19   9.311  24.722 -11.615
  153    HB3  LYS  19           HB3      LYS  19  10.655  23.573 -11.580
  154    HG2  LYS  19           HG2      LYS  19   9.757  22.369 -13.510
  155    HG3  LYS  19           HG3      LYS  19   8.363  23.454 -13.590
  156    HD2  LYS  19           HD2      LYS  19   9.740  25.339 -14.146
  157    HD3  LYS  19           HD3      LYS  19  11.234  24.460 -13.821
  158    HE2  LYS  19           HE2      LYS  19   9.231  23.625 -15.978
  159    HE3  LYS  19           HE3      LYS  19  10.560  24.749 -16.288
  160    HZ1  LYS  19           HZ1      LYS  19  11.215  22.510 -16.873
  161    HZ2  LYS  19           HZ2      LYS  19  12.129  23.027 -15.629
  162    HZ3  LYS  19           HZ3      LYS  19  10.929  21.937 -15.356
  163    H    VAL  20           H        VAL  20   8.764  24.361  -9.032
  164    HA   VAL  20           HA       VAL  20  10.585  22.765  -7.247
  165    HB   VAL  20           HB       VAL  20   9.614  25.632  -7.030
  166   HG11  VAL  20          HG11      VAL  20  10.019  24.756  -4.766
  167   HG12  VAL  20          HG12      VAL  20  11.587  24.090  -5.281
  168   HG13  VAL  20          HG13      VAL  20  11.330  25.847  -5.211
  169   HG21  VAL  20          HG21      VAL  20  11.954  26.253  -7.513
  170   HG22  VAL  20          HG22      VAL  20  12.380  24.543  -7.701
  171   HG23  VAL  20          HG23      VAL  20  11.268  25.323  -8.847
  172    H    VAL  21           H        VAL  21   9.681  21.486  -5.727
  173    HA   VAL  21           HA       VAL  21   7.116  22.370  -4.466
  174    HB   VAL  21           HB       VAL  21   6.185  20.213  -4.427
  175   HG11  VAL  21          HG11      VAL  21   7.198  20.647  -7.278
  176   HG12  VAL  21          HG12      VAL  21   5.774  19.725  -6.788
  177   HG13  VAL  21          HG13      VAL  21   5.815  21.482  -6.533
  178   HG21  VAL  21          HG21      VAL  21   8.143  18.789  -4.142
  179   HG22  VAL  21          HG22      VAL  21   7.130  18.215  -5.466
  180   HG23  VAL  21          HG23      VAL  21   8.629  19.093  -5.837
  181    H    LEU  22           H        LEU  22   6.804  21.876  -2.351
  182    HA   LEU  22           HA       LEU  22   9.195  20.984  -0.787
  183    HB2  LEU  22           HB2      LEU  22   7.624  23.482  -0.777
  184    HB3  LEU  22           HB3      LEU  22   7.447  22.669   0.753
  185    HG   LEU  22           HG       LEU  22   9.221  24.300   0.820
  186   HD11  LEU  22          HD11      LEU  22   9.346  22.209   2.214
  187   HD12  LEU  22          HD12      LEU  22  10.450  21.518   1.004
  188   HD13  LEU  22          HD13      LEU  22  10.912  22.968   1.903
  189   HD21  LEU  22          HD21      LEU  22   9.895  24.186  -1.574
  190   HD22  LEU  22          HD22      LEU  22  11.272  24.098  -0.469
  191   HD23  LEU  22          HD23      LEU  22  10.695  22.629  -1.274
  192    H    PHE  23           H        PHE  23   8.853  19.224   0.394
  193    HA   PHE  23           HA       PHE  23   6.081  18.423   1.138
  194    HB2  PHE  23           HB2      PHE  23   8.697  16.903   1.362
  195    HB3  PHE  23           HB3      PHE  23   7.090  16.269   1.716
  196    HD1  PHE  23           HD1      PHE  23   5.335  16.897  -0.337
  197    HD2  PHE  23           HD2      PHE  23   9.566  16.185  -0.728
  198    HE1  PHE  23           HE1      PHE  23   5.045  16.517  -2.764
  199    HE2  PHE  23           HE2      PHE  23   9.251  15.686  -3.129
  200    HZ   PHE  23           HZ       PHE  23   7.015  15.918  -4.180
  201    H    MET  24           H        MET  24   5.344  19.128   2.987
  202    HA   MET  24           HA       MET  24   7.036  19.522   5.373
  203    HB2  MET  24           HB2      MET  24   6.501  21.973   5.439
  204    HB3  MET  24           HB3      MET  24   7.568  21.506   4.127
  205    HG2  MET  24           HG2      MET  24   5.612  21.525   2.557
  206    HG3  MET  24           HG3      MET  24   4.586  22.122   3.861
  207    HE1  MET  24           HE1      MET  24   5.962  24.326   5.383
  208    HE2  MET  24           HE2      MET  24   5.811  25.775   4.354
  209    HE3  MET  24           HE3      MET  24   4.438  24.662   4.518
  210    H    LYS  25           H        LYS  25   5.708  20.527   7.184
  211    HA   LYS  25           HA       LYS  25   3.067  19.145   7.262
  212    HB2  LYS  25           HB2      LYS  25   4.543  20.519   9.542
  213    HB3  LYS  25           HB3      LYS  25   3.238  19.342   9.635
  214    HG2  LYS  25           HG2      LYS  25   4.828  17.658   8.531
  215    HG3  LYS  25           HG3      LYS  25   6.119  18.838   8.764
  216    HD2  LYS  25           HD2      LYS  25   5.676  18.856  11.205
  217    HD3  LYS  25           HD3      LYS  25   4.368  17.679  10.981
  218    HE2  LYS  25           HE2      LYS  25   5.987  16.037  10.054
  219    HE3  LYS  25           HE3      LYS  25   7.304  17.203  10.266
  220    HZ1  LYS  25           HZ1      LYS  25   6.874  17.139  12.671
  221    HZ2  LYS  25           HZ2      LYS  25   5.664  16.053  12.469
  222    HZ3  LYS  25           HZ3      LYS  25   7.203  15.635  12.121
  223    H    GLY  26           H        GLY  26   4.164  22.309   6.725
  224    HA2  GLY  26           HA2      GLY  26   1.648  23.649   7.683
  225    HA3  GLY  26           HA3      GLY  26   3.183  24.448   7.306
  226    H    THR  27           H        THR  27   1.707  25.861   6.101
  227    HA   THR  27           HA       THR  27   1.315  24.946   3.272
  228    HB   THR  27           HB       THR  27  -0.678  26.348   3.135
  229    HG1  THR  27           HG1      THR  27  -1.506  27.128   5.187
  230   HG21  THR  27          HG21      THR  27  -0.966  24.501   5.545
  231   HG22  THR  27          HG22      THR  27  -2.228  25.024   4.415
  232   HG23  THR  27          HG23      THR  27  -0.936  23.953   3.850
  233    H    LYS  28           H        LYS  28   1.088  26.876   1.787
  234    HA   LYS  28           HA       LYS  28   3.301  28.648   1.915
  235    HB2  LYS  28           HB2      LYS  28   2.082  27.811  -0.086
  236    HB3  LYS  28           HB3      LYS  28   0.694  28.829   0.325
  237    HG2  LYS  28           HG2      LYS  28   2.100  30.853   0.035
  238    HG3  LYS  28           HG3      LYS  28   3.495  29.839  -0.346
  239    HD2  LYS  28           HD2      LYS  28   0.912  30.030  -1.955
  240    HD3  LYS  28           HD3      LYS  28   2.455  30.789  -2.363
  241    HE2  LYS  28           HE2      LYS  28   3.506  28.507  -2.536
  242    HE3  LYS  28           HE3      LYS  28   1.924  27.782  -2.199
  243    HZ1  LYS  28           HZ1      LYS  28   2.274  27.833  -4.567
  244    HZ2  LYS  28           HZ2      LYS  28   1.085  28.899  -4.220
  245    HZ3  LYS  28           HZ3      LYS  28   2.596  29.441  -4.561
  246    H    ASP  29           H        ASP  29   0.008  29.017   3.094
  247    HA   ASP  29           HA       ASP  29   0.269  31.878   3.698
  248    HB2  ASP  29           HB2      ASP  29  -1.846  30.725   2.948
  249    HB3  ASP  29           HB3      ASP  29  -1.894  29.896   4.507
  250    H    PHE  30           H        PHE  30   0.598  28.811   5.458
  251    HA   PHE  30           HA       PHE  30   1.807  30.276   7.748
  252    HB2  PHE  30           HB2      PHE  30  -0.339  28.130   7.948
  253    HB3  PHE  30           HB3      PHE  30   0.708  28.585   9.280
  254    HD1  PHE  30           HD2      PHE  30   0.715  31.009  10.103
  255    HD2  PHE  30           HD1      PHE  30  -2.339  29.391   7.518
  256    HE1  PHE  30           HE2      PHE  30  -0.827  32.829  10.782
  257    HE2  PHE  30           HE1      PHE  30  -3.880  31.216   8.205
  258    HZ   PHE  30           HZ       PHE  30  -3.131  32.933   9.839
  259    HA   PRO  31           HA       PRO  31   4.673  26.925   6.377
  260    HB2  PRO  31           HB2      PRO  31   6.596  29.094   7.182
  261    HB3  PRO  31           HB3      PRO  31   6.688  27.966   5.794
  262    HG2  PRO  31           HG2      PRO  31   5.954  30.545   5.420
  263    HG3  PRO  31           HG3      PRO  31   5.068  29.236   4.572
  264    HD2  PRO  31           HD2      PRO  31   4.292  30.672   7.135
  265    HD3  PRO  31           HD3      PRO  31   3.301  30.334   5.684
  266    H    GLN  32           H        GLN  32   6.420  25.889   7.732
  267    HA   GLN  32           HA       GLN  32   5.829  25.979  10.633
  268    HB2  GLN  32           HB2      GLN  32   7.976  24.424   9.136
  269    HB3  GLN  32           HB3      GLN  32   7.500  24.203  10.808
  270    HG2  GLN  32           HG2      GLN  32   5.383  23.225  10.182
  271    HG3  GLN  32           HG3      GLN  32   5.567  23.720   8.492
  272   HE21  GLN  32          HE22      GLN  32   7.099  21.548  10.980
  273   HE22  GLN  32          HE21      GLN  32   7.769  20.492   9.745
  274    H    CYS  33           H        CYS  33   6.888  27.376  11.965
  275    HA   CYS  33           HA       CYS  33   8.976  29.124  11.213
  276    HB2  CYS  33           HB2      CYS  33   8.179  28.096  13.982
  277    HB3  CYS  33           HB3      CYS  33   9.169  29.531  13.667
  278    HG   CYS  33           HG       CYS  33   7.371  30.827  12.231
  279    H    GLY  34           H        GLY  34  11.176  29.088  11.367
  280    HA2  GLY  34           HA2      GLY  34  13.335  28.167  11.763
  281    HA3  GLY  34           HA3      GLY  34  12.603  26.618  12.239
  282    H    PHE  35           H        PHE  35  12.854  25.060  10.791
  283    HA   PHE  35           HA       PHE  35  14.381  25.303   8.526
  284    HB2  PHE  35           HB2      PHE  35  12.364  23.093   9.094
  285    HB3  PHE  35           HB3      PHE  35  13.778  22.965   8.062
  286    HD1  PHE  35           HD2      PHE  35  16.091  23.737   9.337
  287    HD2  PHE  35           HD1      PHE  35  12.545  22.171  11.235
  288    HE1  PHE  35           HE2      PHE  35  17.447  23.012  11.278
  289    HE2  PHE  35           HE1      PHE  35  13.910  21.453  13.177
  290    HZ   PHE  35           HZ       PHE  35  16.362  21.869  13.205
  291    H    SER  36           H        SER  36  10.856  24.450   8.206
  292    HA   SER  36           HA       SER  36  10.912  24.709   5.397
  293    HB2  SER  36           HB2      SER  36   8.438  25.038   7.099
  294    HB3  SER  36           HB3      SER  36   8.556  24.423   5.438
  295    HG   SER  36           HG       SER  36   8.402  22.704   7.068
  296    H    GLN  37           H        GLN  37   9.823  27.164   7.833
  297    HA   GLN  37           HA       GLN  37   9.115  29.210   6.020
  298    HB2  GLN  37           HB2      GLN  37   8.625  29.332   8.402
  299    HB3  GLN  37           HB3      GLN  37  10.347  29.359   8.800
  300    HG2  GLN  37           HG2      GLN  37   9.383  31.567   9.043
  301    HG3  GLN  37           HG3      GLN  37  10.577  31.591   7.759
  302   HE21  GLN  37          HE22      GLN  37   9.727  31.649   5.452
  303   HE22  GLN  37          HE21      GLN  37   8.123  32.343   5.204
  304    H    THR  38           H        THR  38  12.363  28.495   7.414
  305    HA   THR  38           HA       THR  38  13.777  30.566   6.058
  306    HB   THR  38           HB       THR  38  14.784  27.853   7.038
  307    HG1  THR  38           HG1      THR  38  14.017  28.993   8.710
  308   HG21  THR  38          HG21      THR  38  16.285  30.403   6.278
  309   HG22  THR  38          HG22      THR  38  16.982  29.040   7.185
  310   HG23  THR  38          HG23      THR  38  16.441  28.801   5.520
  311    H    VAL  39           H        VAL  39  13.253  27.145   5.143
  312    HA   VAL  39           HA       VAL  39  14.617  27.261   2.656
  313    HB   VAL  39           HB       VAL  39  12.326  25.510   3.595
  314   HG11  VAL  39          HG11      VAL  39  13.785  25.373   0.927
  315   HG12  VAL  39          HG12      VAL  39  12.859  24.032   1.629
  316   HG13  VAL  39          HG13      VAL  39  12.033  25.526   1.197
  317   HG21  VAL  39          HG21      VAL  39  15.273  24.941   3.033
  318   HG22  VAL  39          HG22      VAL  39  14.573  25.205   4.636
  319   HG23  VAL  39          HG23      VAL  39  14.087  23.793   3.695
  320    H    VAL  40           H        VAL  40  11.036  27.825   3.214
  321    HA   VAL  40           HA       VAL  40  10.667  28.408   0.431
  322    HB   VAL  40           HB       VAL  40   8.490  29.173   0.952
  323   HG11  VAL  40          HG11      VAL  40   7.554  27.112   1.880
  324   HG12  VAL  40          HG12      VAL  40   8.889  26.770   0.764
  325   HG13  VAL  40          HG13      VAL  40   9.141  26.655   2.518
  326   HG21  VAL  40          HG21      VAL  40   8.744  30.441   3.000
  327   HG22  VAL  40          HG22      VAL  40   7.509  29.191   3.199
  328   HG23  VAL  40          HG23      VAL  40   9.120  28.959   3.888
  329    H    GLN  41           H        GLN  41  11.504  30.544   3.175
  330    HA   GLN  41           HA       GLN  41  11.186  33.031   1.737
  331    HB2  GLN  41           HB2      GLN  41  11.375  32.843   4.200
  332    HB3  GLN  41           HB3      GLN  41  13.035  32.264   4.048
  333    HG2  GLN  41           HG2      GLN  41  13.704  34.432   3.045
  334    HG3  GLN  41           HG3      GLN  41  12.026  34.992   3.123
  335   HE21  GLN  41          HE22      GLN  41  14.800  33.922   5.207
  336   HE22  GLN  41          HE21      GLN  41  14.258  34.844   6.601
  337    H    ILE  42           H        ILE  42  14.018  30.821   2.172
  338    HA   ILE  42           HA       ILE  42  15.855  32.337   0.587
  339    HB   ILE  42           HB       ILE  42  15.686  29.409   1.385
  340   HG12  ILE  42          HG12      ILE  42  17.659  31.648   2.052
  341   HG13  ILE  42          HG13      ILE  42  16.284  31.197   3.057
  342   HG21  ILE  42          HG21      ILE  42  17.987  29.089   0.442
  343   HG22  ILE  42          HG22      ILE  42  16.773  29.330  -0.794
  344   HG23  ILE  42          HG23      ILE  42  17.840  30.676  -0.347
  345   HD11  ILE  42          HD11      ILE  42  18.747  29.505   2.492
  346   HD12  ILE  42          HD12      ILE  42  18.203  30.186   4.031
  347   HD13  ILE  42          HD13      ILE  42  17.276  28.876   3.270
  348    H    LEU  43           H        LEU  43  13.714  29.645  -0.489
  349    HA   LEU  43           HA       LEU  43  14.531  29.742  -3.238
  350    HB2  LEU  43           HB2      LEU  43  11.930  28.880  -1.887
  351    HB3  LEU  43           HB3      LEU  43  12.242  28.638  -3.597
  352    HG   LEU  43           HG       LEU  43  14.053  27.481  -1.433
  353   HD11  LEU  43          HD11      LEU  43  11.782  26.601  -1.137
  354   HD12  LEU  43          HD12      LEU  43  11.687  26.200  -2.864
  355   HD13  LEU  43          HD13      LEU  43  12.840  25.353  -1.811
  356   HD21  LEU  43          HD21      LEU  43  14.750  25.945  -3.246
  357   HD22  LEU  43          HD22      LEU  43  13.705  26.806  -4.395
  358   HD23  LEU  43          HD23      LEU  43  15.106  27.624  -3.663
  359    H    LYS  44           H        LYS  44  11.718  31.319  -1.632
  360    HA   LYS  44           HA       LYS  44  10.790  32.644  -3.940
  361    HB2  LYS  44           HB2      LYS  44   9.553  32.342  -1.825
  362    HB3  LYS  44           HB3      LYS  44  10.535  33.614  -1.067
  363    HG2  LYS  44           HG2      LYS  44   9.633  35.294  -2.559
  364    HG3  LYS  44           HG3      LYS  44   9.005  34.072  -3.667
  365    HD2  LYS  44           HD2      LYS  44   7.147  35.012  -2.462
  366    HD3  LYS  44           HD3      LYS  44   7.366  33.322  -2.031
  367    HE2  LYS  44           HE2      LYS  44   6.855  34.463  -0.006
  368    HE3  LYS  44           HE3      LYS  44   8.577  34.069   0.076
  369    HZ1  LYS  44           HZ1      LYS  44   8.108  36.363   0.774
  370    HZ2  LYS  44           HZ2      LYS  44   9.037  36.396  -0.569
  371    HZ3  LYS  44           HZ3      LYS  44   7.435  36.724  -0.669
  372    H    SER  45           H        SER  45  13.019  33.904  -1.441
  373    HA   SER  45           HA       SER  45  13.506  36.443  -2.642
  374    HB2  SER  45           HB2      SER  45  13.818  35.797  -0.246
  375    HB3  SER  45           HB3      SER  45  15.258  34.874  -0.717
  376    HG   SER  45           HG       SER  45  15.740  37.021   0.010
  377    H    LEU  46           H        LEU  46  15.283  33.324  -3.019
  378    HA   LEU  46           HA       LEU  46  17.453  34.246  -4.582
  379    HB2  LEU  46           HB2      LEU  46  17.312  31.991  -3.657
  380    HB3  LEU  46           HB3      LEU  46  15.839  31.667  -4.563
  381    HG   LEU  46           HG       LEU  46  17.099  31.726  -6.689
  382   HD11  LEU  46          HD11      LEU  46  19.587  31.941  -4.924
  383   HD12  LEU  46          HD12      LEU  46  19.542  31.702  -6.687
  384   HD13  LEU  46          HD13      LEU  46  18.986  33.226  -5.994
  385   HD21  LEU  46          HD21      LEU  46  18.223  29.575  -6.352
  386   HD22  LEU  46          HD22      LEU  46  18.241  29.841  -4.594
  387   HD23  LEU  46          HD23      LEU  46  16.699  29.622  -5.456
  388    H    ASN  47           H        ASN  47  14.136  33.558  -5.411
  389    HA   ASN  47           HA       ASN  47  12.928  35.064  -6.763
  390    HB2  ASN  47           HB2      ASN  47  14.880  36.245  -7.728
  391    HB3  ASN  47           HB3      ASN  47  15.072  34.928  -8.900
  392   HD21  ASN  47          HD22      ASN  47  12.569  37.254  -7.658
  393   HD22  ASN  47          HD21      ASN  47  11.815  37.475  -9.227
  394    H    ALA  48           H        ALA  48  12.009  32.923  -6.178
  395    HA   ALA  48           HA       ALA  48  11.342  31.432  -8.669
  396    HB1  ALA  48           HB1      ALA  48  12.127  29.263  -7.758
  397    HB2  ALA  48           HB2      ALA  48  13.468  30.417  -7.858
  398    HB3  ALA  48           HB3      ALA  48  12.698  30.065  -6.296
  399    HA   PRO  49           HA       PRO  49   7.531  30.515  -6.425
  400    HB2  PRO  49           HB2      PRO  49   6.476  28.521  -7.923
  401    HB3  PRO  49           HB3      PRO  49   6.660  30.174  -8.577
  402    HG2  PRO  49           HG2      PRO  49   8.538  27.810  -8.947
  403    HG3  PRO  49           HG3      PRO  49   7.848  28.875 -10.214
  404    HD2  PRO  49           HD2      PRO  49  10.335  29.284  -9.150
  405    HD3  PRO  49           HD3      PRO  49   9.290  30.648  -9.648
  406    H    PHE  50           H        PHE  50   6.447  28.597  -5.387
  407    HA   PHE  50           HA       PHE  50   7.816  26.093  -5.137
  408    HB2  PHE  50           HB2      PHE  50   8.283  26.072  -2.781
  409    HB3  PHE  50           HB3      PHE  50   9.112  27.452  -3.474
  410    HD1  PHE  50           HD2      PHE  50   6.343  26.378  -1.259
  411    HD2  PHE  50           HD1      PHE  50   8.475  29.748  -2.919
  412    HE1  PHE  50           HE2      PHE  50   5.247  27.880   0.382
  413    HE2  PHE  50           HE1      PHE  50   7.400  31.237  -1.262
  414    HZ   PHE  50           HZ       PHE  50   5.764  30.318   0.381
  415    H    GLU  51           H        GLU  51   6.391  24.454  -4.445
  416    HA   GLU  51           HA       GLU  51   3.643  25.324  -3.586
  417    HB2  GLU  51           HB2      GLU  51   4.586  22.860  -5.073
  418    HB3  GLU  51           HB3      GLU  51   3.020  22.939  -4.272
  419    HG2  GLU  51           HG2      GLU  51   3.960  24.851  -6.447
  420    HG3  GLU  51           HG3      GLU  51   2.873  23.479  -6.673
  421    H    SER  52           H        SER  52   3.250  25.133  -1.487
  422    HA   SER  52           HA       SER  52   4.811  23.414   0.290
  423    HB2  SER  52           HB2      SER  52   3.264  24.334   1.991
  424    HB3  SER  52           HB3      SER  52   3.982  25.623   1.010
  425    HG   SER  52           HG       SER  52   1.468  24.406   0.494
  426    H    VAL  53           H        VAL  53   4.405  21.302  -0.711
  427    HA   VAL  53           HA       VAL  53   1.639  20.305  -0.795
  428    HB   VAL  53           HB       VAL  53   4.128  18.616  -1.140
  429   HG11  VAL  53          HG11      VAL  53   2.603  17.182  -2.398
  430   HG12  VAL  53          HG12      VAL  53   1.874  17.528  -0.817
  431   HG13  VAL  53          HG13      VAL  53   1.295  18.376  -2.258
  432   HG21  VAL  53          HG21      VAL  53   3.840  18.950  -3.601
  433   HG22  VAL  53          HG22      VAL  53   2.681  20.254  -3.266
  434   HG23  VAL  53          HG23      VAL  53   4.387  20.406  -2.771
  435    H    ASN  54           H        ASN  54   0.710  20.089   1.142
  436    HA   ASN  54           HA       ASN  54   2.191  19.568   3.533
  437    HB2  ASN  54           HB2      ASN  54   0.235  21.012   3.504
  438    HB3  ASN  54           HB3      ASN  54  -0.796  19.645   3.072
  439   HD21  ASN  54          HD22      ASN  54  -2.002  20.269   5.057
  440   HD22  ASN  54          HD21      ASN  54  -1.371  19.768   6.634
  441    H    ILE  55           H        ILE  55   2.872  17.659   4.304
  442    HA   ILE  55           HA       ILE  55   1.880  15.103   3.215
  443    HB   ILE  55           HB       ILE  55   3.456  14.094   4.930
  444   HG12  ILE  55          HG12      ILE  55   4.800  16.769   5.220
  445   HG13  ILE  55          HG13      ILE  55   3.469  16.399   6.312
  446   HG21  ILE  55          HG21      ILE  55   5.476  14.700   3.614
  447   HG22  ILE  55          HG22      ILE  55   4.077  14.350   2.603
  448   HG23  ILE  55          HG23      ILE  55   4.578  16.034   2.863
  449   HD11  ILE  55          HD11      ILE  55   5.680  15.816   7.254
  450   HD12  ILE  55          HD12      ILE  55   4.613  14.407   7.121
  451   HD13  ILE  55          HD13      ILE  55   5.923  14.651   5.939
  452    H    LEU  56           H        LEU  56   1.190  16.854   6.217
  453    HA   LEU  56           HA       LEU  56   0.232  14.531   7.643
  454    HB2  LEU  56           HB2      LEU  56   0.375  17.499   8.085
  455    HB3  LEU  56           HB3      LEU  56  -0.905  16.665   8.950
  456    HG   LEU  56           HG       LEU  56   0.712  15.113   9.966
  457   HD11  LEU  56          HD11      LEU  56   2.775  16.823   8.531
  458   HD12  LEU  56          HD12      LEU  56   3.163  15.668   9.827
  459   HD13  LEU  56          HD13      LEU  56   2.499  15.084   8.297
  460   HD21  LEU  56          HD21      LEU  56   0.054  17.176  11.138
  461   HD22  LEU  56          HD22      LEU  56   1.740  16.777  11.492
  462   HD23  LEU  56          HD23      LEU  56   1.355  18.075  10.340
  463    H    GLU  57           H        GLU  57  -1.563  16.998   5.776
  464    HA   GLU  57           HA       GLU  57  -4.137  15.918   6.559
  465    HB2  GLU  57           HB2      GLU  57  -5.116  17.435   5.019
  466    HB3  GLU  57           HB3      GLU  57  -3.812  18.259   5.875
  467    HG2  GLU  57           HG2      GLU  57  -2.345  17.929   3.856
  468    HG3  GLU  57           HG3      GLU  57  -3.703  17.172   3.022
  469    H    ASN  58           H        ASN  58  -1.843  14.961   4.117
  470    HA   ASN  58           HA       ASN  58  -3.887  13.471   2.563
  471    HB2  ASN  58           HB2      ASN  58  -2.271  14.952   1.418
  472    HB3  ASN  58           HB3      ASN  58  -0.928  13.980   2.037
  473   HD21  ASN  58          HD22      ASN  58  -3.673  14.035  -0.247
  474   HD22  ASN  58          HD21      ASN  58  -3.187  12.580  -1.093
  475    H    GLU  59           H        GLU  59  -0.793  12.787   4.283
  476    HA   GLU  59           HA       GLU  59   0.124  11.003   5.218
  477    HB2  GLU  59           HB2      GLU  59  -2.640   9.750   5.293
  478    HB3  GLU  59           HB3      GLU  59  -1.206   9.232   6.180
  479    HG2  GLU  59           HG2      GLU  59  -1.135  11.696   7.077
  480    HG3  GLU  59           HG3      GLU  59  -2.821  11.769   6.541
  481    H    LEU  60           H        LEU  60  -1.853   9.965   2.414
  482    HA   LEU  60           HA       LEU  60  -0.375   7.605   1.823
  483    HB2  LEU  60           HB2      LEU  60  -2.607   8.590   0.868
  484    HB3  LEU  60           HB3      LEU  60  -1.593   9.501  -0.230
  485    HG   LEU  60           HG       LEU  60  -2.487   7.569  -1.320
  486   HD11  LEU  60          HD11      LEU  60  -0.580   6.601  -2.310
  487   HD12  LEU  60          HD12      LEU  60  -0.075   8.220  -1.829
  488   HD13  LEU  60          HD13      LEU  60   0.416   6.815  -0.856
  489   HD21  LEU  60          HD21      LEU  60  -2.138   5.277  -0.623
  490   HD22  LEU  60          HD22      LEU  60  -1.154   5.789   0.758
  491   HD23  LEU  60          HD23      LEU  60  -2.886   6.179   0.702
  492    H    LEU  61           H        LEU  61   0.113  11.002   0.834
  493    HA   LEU  61           HA       LEU  61   2.642  10.733  -0.439
  494    HB2  LEU  61           HB2      LEU  61   1.055  12.732  -0.402
  495    HB3  LEU  61           HB3      LEU  61   1.548  13.038   1.257
  496    HG   LEU  61           HG       LEU  61   3.942  13.334   0.371
  497   HD11  LEU  61          HD11      LEU  61   4.195  13.836  -2.020
  498   HD12  LEU  61          HD12      LEU  61   3.652  12.162  -1.819
  499   HD13  LEU  61          HD13      LEU  61   2.500  13.410  -2.322
  500   HD21  LEU  61          HD21      LEU  61   2.468  15.235   0.944
  501   HD22  LEU  61          HD22      LEU  61   3.457  15.608  -0.475
  502   HD23  LEU  61          HD23      LEU  61   1.748  15.165  -0.681
  503    H    ARG  62           H        ARG  62   1.896  11.304   3.035
  504    HA   ARG  62           HA       ARG  62   4.517  11.675   3.971
  505    HB2  ARG  62           HB2      ARG  62   2.348  12.046   5.215
  506    HB3  ARG  62           HB3      ARG  62   2.262  10.302   5.499
  507    HG2  ARG  62           HG2      ARG  62   4.319  10.348   6.803
  508    HG3  ARG  62           HG3      ARG  62   4.603  12.035   6.371
  509    HD2  ARG  62           HD2      ARG  62   3.747  11.913   8.649
  510    HD3  ARG  62           HD3      ARG  62   2.592  12.729   7.607
  511    HE   ARG  62           HE       ARG  62   1.032  11.118   8.081
  512   HH11  ARG  62          HH11      ARG  62   4.155   9.688   8.960
  513   HH12  ARG  62          HH12      ARG  62   3.400   8.323   9.721
  514   HH21  ARG  62          HH21      ARG  62   0.131   9.368   9.104
  515   HH22  ARG  62          HH22      ARG  62   1.159   8.129   9.774
  516    H    GLN  63           H        GLN  63   2.776   8.584   3.543
  517    HA   GLN  63           HA       GLN  63   5.154   7.035   4.416
  518    HB2  GLN  63           HB2      GLN  63   3.747   5.126   4.323
  519    HB3  GLN  63           HB3      GLN  63   2.868   6.433   5.108
  520    HG2  GLN  63           HG2      GLN  63   1.816   6.845   2.737
  521    HG3  GLN  63           HG3      GLN  63   2.432   5.244   2.347
  522   HE21  GLN  63          HE22      GLN  63   0.190   7.108   4.391
  523   HE22  GLN  63          HE21      GLN  63  -0.795   5.717   4.854
  524    H    GLY  64           H        GLY  64   3.552   7.792   1.293
  525    HA2  GLY  64           HA2      GLY  64   5.090   5.783  -0.162
  526    HA3  GLY  64           HA3      GLY  64   3.918   6.955  -0.806
  527    H    LEU  65           H        LEU  65   5.327   9.368   0.160
  528    HA   LEU  65           HA       LEU  65   7.074   9.686  -2.095
  529    HB2  LEU  65           HB2      LEU  65   5.595  11.388  -0.847
  530    HB3  LEU  65           HB3      LEU  65   6.869  11.509   0.331
  531    HG   LEU  65           HG       LEU  65   6.885  13.372  -1.169
  532   HD11  LEU  65          HD11      LEU  65   9.265  11.775  -2.120
  533   HD12  LEU  65          HD12      LEU  65   9.150  13.498  -1.827
  534   HD13  LEU  65          HD13      LEU  65   9.137  12.389  -0.448
  535   HD21  LEU  65          HD21      LEU  65   5.769  12.328  -3.111
  536   HD22  LEU  65          HD22      LEU  65   7.234  13.202  -3.590
  537   HD23  LEU  65          HD23      LEU  65   7.244  11.430  -3.491
  538    H    LYS  66           H        LYS  66   7.726   8.826   1.298
  539    HA   LYS  66           HA       LYS  66  10.598   9.064   1.145
  540    HB2  LYS  66           HB2      LYS  66   8.841   7.248   2.849
  541    HB3  LYS  66           HB3      LYS  66  10.588   7.485   3.046
  542    HG2  LYS  66           HG2      LYS  66  10.091  10.007   3.235
  543    HG3  LYS  66           HG3      LYS  66   8.391   9.552   3.416
  544    HD2  LYS  66           HD2      LYS  66  10.694   8.640   5.194
  545    HD3  LYS  66           HD3      LYS  66   9.548   9.933   5.580
  546    HE2  LYS  66           HE2      LYS  66   7.674   8.315   5.542
  547    HE3  LYS  66           HE3      LYS  66   8.791   7.006   5.116
  548    HZ1  LYS  66           HZ1      LYS  66   8.353   7.032   7.501
  549    HZ2  LYS  66           HZ2      LYS  66   9.930   7.370   7.238
  550    HZ3  LYS  66           HZ3      LYS  66   8.891   8.569   7.642
  551    H    GLU  67           H        GLU  67   8.438   6.559  -0.135
  552    HA   GLU  67           HA       GLU  67  10.675   4.776  -0.855
  553    HB2  GLU  67           HB2      GLU  67   7.787   4.775  -1.832
  554    HB3  GLU  67           HB3      GLU  67   8.995   3.535  -2.132
  555    HG2  GLU  67           HG2      GLU  67   7.869   4.289   0.599
  556    HG3  GLU  67           HG3      GLU  67   7.433   2.880  -0.350
  557    H    TYR  68           H        TYR  68   8.655   7.269  -2.474
  558    HA   TYR  68           HA       TYR  68   9.722   6.978  -5.097
  559    HB2  TYR  68           HB2      TYR  68   7.614   8.170  -4.302
  560    HB3  TYR  68           HB3      TYR  68   8.637   9.483  -3.753
  561    HD1  TYR  68           HD1      TYR  68   7.991   7.456  -6.858
  562    HD2  TYR  68           HD2      TYR  68   8.885  11.342  -5.193
  563    HE1  TYR  68           HE1      TYR  68   7.708   8.492  -9.107
  564    HE2  TYR  68           HE2      TYR  68   8.521  12.375  -7.405
  565    HH   TYR  68           HH       TYR  68   8.063  12.020  -9.623
  566    H    SER  69           H        SER  69  10.833   8.899  -2.361
  567    HA   SER  69           HA       SER  69  13.080  10.115  -3.935
  568    HB2  SER  69           HB2      SER  69  13.167  11.753  -2.109
  569    HB3  SER  69           HB3      SER  69  11.560  11.677  -2.844
  570    HG   SER  69           HG       SER  69  10.827  10.482  -1.068
  571    H    SER  70           H        SER  70  12.670   7.630  -1.578
  572    HA   SER  70           HA       SER  70  14.035   6.435  -0.236
  573    HB2  SER  70           HB2      SER  70  16.382   7.748  -1.646
  574    HB3  SER  70           HB3      SER  70  16.441   6.349  -0.582
  575    HG   SER  70           HG       SER  70  16.374   5.778  -2.815
  576    H    TRP  71           H        TRP  71  13.500   9.563   0.234
  577    HA   TRP  71           HA       TRP  71  15.544  10.416   2.023
  578    HB2  TRP  71           HB2      TRP  71  14.060  11.793   0.573
  579    HB3  TRP  71           HB3      TRP  71  12.712  11.421   1.647
  580    HD1  TRP  71           HD1      TRP  71  12.429  12.941   3.726
  581    HE1  TRP  71           HE1      TRP  71  13.733  14.880   4.775
  582    HE3  TRP  71           HE3      TRP  71  16.677  12.724   0.867
  583    HZ2  TRP  71           HZ2      TRP  71  16.261  16.194   4.419
  584    HZ3  TRP  71           HZ3      TRP  71  18.562  14.281   1.315
  585    HH2  TRP  71           HH2      TRP  71  18.375  16.004   3.088
  586    HA   PRO  72           HA       PRO  72  14.055   8.441   5.708
  587    HB2  PRO  72           HB2      PRO  72  15.574   9.603   7.656
  588    HB3  PRO  72           HB3      PRO  72  16.246   8.533   6.389
  589    HG2  PRO  72           HG2      PRO  72  16.208  11.565   6.427
  590    HG3  PRO  72           HG3      PRO  72  17.581  10.475   6.059
  591    HD2  PRO  72           HD2      PRO  72  16.059  11.608   4.095
  592    HD3  PRO  72           HD3      PRO  72  16.740   9.966   3.931
  593    H    THR  73           H        THR  73  14.178  12.055   6.174
  594    HA   THR  73           HA       THR  73  11.564  11.974   7.600
  595    HB   THR  73           HB       THR  73  12.526  13.332   9.462
  596    HG1  THR  73           HG1      THR  73  14.421  13.814   8.176
  597   HG21  THR  73          HG21      THR  73  13.841  10.587   9.292
  598   HG22  THR  73          HG22      THR  73  13.467  11.524  10.751
  599   HG23  THR  73          HG23      THR  73  12.151  10.878   9.758
  600    H    PHE  74           H        PHE  74  10.331  13.611   7.002
  601    HA   PHE  74           HA       PHE  74  11.183  15.735   5.316
  602    HB2  PHE  74           HB2      PHE  74   8.636  15.326   6.934
  603    HB3  PHE  74           HB3      PHE  74   8.809  16.524   5.668
  604    HD1  PHE  74           HD2      PHE  74   9.507  15.721   3.304
  605    HD2  PHE  74           HD1      PHE  74   7.966  13.100   6.358
  606    HE1  PHE  74           HE2      PHE  74   8.947  14.026   1.571
  607    HE2  PHE  74           HE1      PHE  74   7.397  11.419   4.629
  608    HZ   PHE  74           HZ       PHE  74   7.911  11.863   2.244
  609    HA   PRO  75           HA       PRO  75   9.892  18.288   5.185
  610    HB2  PRO  75           HB2      PRO  75  12.066  20.358   5.290
  611    HB3  PRO  75           HB3      PRO  75  10.325  20.561   4.918
  612    HG2  PRO  75           HG2      PRO  75  11.285  21.262   7.342
  613    HG3  PRO  75           HG3      PRO  75   9.738  20.357   7.225
  614    HD2  PRO  75           HD2      PRO  75  12.508  19.259   7.801
  615    HD3  PRO  75           HD3      PRO  75  10.976  18.963   8.675
  616    H    GLN  76           H        GLN  76  10.532  18.596   2.919
  617    HA   GLN  76           HA       GLN  76  13.291  17.873   2.135
  618    HB2  GLN  76           HB2      GLN  76  12.036  15.694   2.386
  619    HB3  GLN  76           HB3      GLN  76  10.875  16.280   1.200
  620    HG2  GLN  76           HG2      GLN  76  12.980  16.565  -0.367
  621    HG3  GLN  76           HG3      GLN  76  13.765  15.488   0.781
  622   HE21  GLN  76          HE22      GLN  76  11.908  13.539   1.339
  623   HE22  GLN  76          HE21      GLN  76  11.483  12.743  -0.171
  624    H    LEU  77           H        LEU  77  13.887  18.955   0.353
  625    HA   LEU  77           HA       LEU  77  11.922  20.477  -1.281
  626    HB2  LEU  77           HB2      LEU  77  14.976  20.369  -1.249
  627    HB3  LEU  77           HB3      LEU  77  14.014  21.275  -2.412
  628    HG   LEU  77           HG       LEU  77  13.055  22.540  -0.362
  629   HD11  LEU  77          HD11      LEU  77  14.770  22.719   1.512
  630   HD12  LEU  77          HD12      LEU  77  13.880  21.199   1.491
  631   HD13  LEU  77          HD13      LEU  77  15.543  21.265   0.871
  632   HD21  LEU  77          HD21      LEU  77  14.505  23.515  -2.079
  633   HD22  LEU  77          HD22      LEU  77  15.018  24.091  -0.489
  634   HD23  LEU  77          HD23      LEU  77  15.941  22.822  -1.308
  635    H    TYR  78           H        TYR  78  11.435  19.907  -3.340
  636    HA   TYR  78           HA       TYR  78  13.072  17.908  -4.795
  637    HB2  TYR  78           HB2      TYR  78  11.258  16.764  -3.503
  638    HB3  TYR  78           HB3      TYR  78  10.070  17.691  -4.392
  639    HD1  TYR  78           HD1      TYR  78  10.106  17.418  -7.042
  640    HD2  TYR  78           HD2      TYR  78  11.850  14.647  -4.238
  641    HE1  TYR  78           HE1      TYR  78  10.042  15.627  -8.759
  642    HE2  TYR  78           HE2      TYR  78  11.759  12.848  -5.947
  643    HH   TYR  78           HH       TYR  78  11.182  12.303  -8.106
  644    H    ILE  79           H        ILE  79  13.166  18.242  -6.991
  645    HA   ILE  79           HA       ILE  79  11.601  20.535  -8.086
  646    HB   ILE  79           HB       ILE  79  14.626  20.411  -8.289
  647   HG12  ILE  79          HG12      ILE  79  12.938  22.180  -6.465
  648   HG13  ILE  79          HG13      ILE  79  14.042  20.904  -5.947
  649   HG21  ILE  79          HG21      ILE  79  12.567  22.551  -9.023
  650   HG22  ILE  79          HG22      ILE  79  14.327  22.694  -9.236
  651   HG23  ILE  79          HG23      ILE  79  13.428  21.509 -10.168
  652   HD11  ILE  79          HD11      ILE  79  15.949  22.176  -6.944
  653   HD12  ILE  79          HD12      ILE  79  14.833  23.539  -7.215
  654   HD13  ILE  79          HD13      ILE  79  15.143  22.962  -5.574
  655    H    ASP  80           H        ASP  80  10.762  20.015  -9.912
  656    HA   ASP  80           HA       ASP  80  10.331  19.375 -11.997
  657    HB2  ASP  80           HB2      ASP  80  12.494  20.627 -12.258
  658    HB3  ASP  80           HB3      ASP  80  13.335  19.080 -12.333
  659    H    GLY  81           H        GLY  81  12.141  17.044 -10.222
  660    HA2  GLY  81           HA2      GLY  81  10.905  14.670 -10.892
  661    HA3  GLY  81           HA3      GLY  81  12.048  14.914 -12.208
  662    H    GLU  82           H        GLU  82  13.283  16.218  -9.228
  663    HA   GLU  82           HA       GLU  82  14.279  13.670  -8.186
  664    HB2  GLU  82           HB2      GLU  82  15.878  14.484 -10.046
  665    HB3  GLU  82           HB3      GLU  82  16.234  15.858  -9.004
  666    HG2  GLU  82           HG2      GLU  82  17.965  14.212  -8.758
  667    HG3  GLU  82           HG3      GLU  82  17.062  14.251  -7.254
  668    H    PHE  83           H        PHE  83  15.078  13.840  -6.012
  669    HA   PHE  83           HA       PHE  83  14.086  16.130  -4.510
  670    HB2  PHE  83           HB2      PHE  83  14.554  14.996  -2.577
  671    HB3  PHE  83           HB3      PHE  83  14.010  13.745  -3.673
  672    HD1  PHE  83           HD1      PHE  83  15.744  12.172  -4.708
  673    HD2  PHE  83           HD2      PHE  83  16.707  14.958  -1.561
  674    HE1  PHE  83           HE1      PHE  83  17.821  10.900  -4.211
  675    HE2  PHE  83           HE2      PHE  83  18.773  13.684  -1.064
  676    HZ   PHE  83           HZ       PHE  83  19.341  11.659  -2.394
  677    H    PHE  84           H        PHE  84  15.253  17.721  -3.503
  678    HA   PHE  84           HA       PHE  84  18.042  18.149  -4.473
  679    HB2  PHE  84           HB2      PHE  84  16.353  19.898  -4.894
  680    HB3  PHE  84           HB3      PHE  84  16.069  20.052  -3.168
  681    HD1  PHE  84           HD1      PHE  84  17.781  21.096  -1.683
  682    HD2  PHE  84           HD2      PHE  84  18.394  20.745  -5.944
  683    HE1  PHE  84           HE1      PHE  84  19.721  22.634  -1.539
  684    HE2  PHE  84           HE2      PHE  84  20.325  22.302  -5.784
  685    HZ   PHE  84           HZ       PHE  84  20.990  23.238  -3.589
  686    H    GLY  85           H        GLY  85  16.143  17.918  -1.435
  687    HA2  GLY  85           HA2      GLY  85  17.620  16.607   0.282
  688    HA3  GLY  85           HA3      GLY  85  18.652  18.028   0.190
  689    H    GLY  86           H        GLY  86  18.371  18.497   2.361
  690    HA2  GLY  86           HA2      GLY  86  15.668  19.341   3.357
  691    HA3  GLY  86           HA3      GLY  86  17.030  18.813   4.361
  692    H    CYS  87           H        CYS  87  16.211  20.905   5.391
  693    HA   CYS  87           HA       CYS  87  16.703  23.446   4.210
  694    HB2  CYS  87           HB2      CYS  87  15.231  23.068   6.159
  695    HB3  CYS  87           HB3      CYS  87  16.632  22.612   7.156
  696    HG   CYS  87           HG       CYS  87  16.147  25.510   5.564
  697    H    ASP  88           H        ASP  88  18.877  21.589   6.402
  698    HA   ASP  88           HA       ASP  88  20.947  23.507   6.508
  699    HB2  ASP  88           HB2      ASP  88  20.755  21.526   7.965
  700    HB3  ASP  88           HB3      ASP  88  21.148  20.470   6.604
  701    H    ILE  89           H        ILE  89  20.542  20.801   4.202
  702    HA   ILE  89           HA       ILE  89  22.821  21.367   2.534
  703    HB   ILE  89           HB       ILE  89  20.143  20.061   1.855
  704   HG12  ILE  89          HG12      ILE  89  22.882  18.865   2.521
  705   HG13  ILE  89          HG13      ILE  89  21.504  18.911   3.614
  706   HG21  ILE  89          HG21      ILE  89  21.269  19.147  -0.152
  707   HG22  ILE  89          HG22      ILE  89  21.228  20.894  -0.215
  708   HG23  ILE  89          HG23      ILE  89  22.735  20.068   0.243
  709   HD11  ILE  89          HD11      ILE  89  20.209  17.481   2.017
  710   HD12  ILE  89          HD12      ILE  89  21.692  17.296   1.049
  711   HD13  ILE  89          HD13      ILE  89  21.644  16.710   2.717
  712    H    THR  90           H        THR  90  19.473  22.590   2.391
  713    HA   THR  90           HA       THR  90  19.768  24.204   0.039
  714    HB   THR  90           HB       THR  90  17.850  24.616   2.373
  715    HG1  THR  90           HG1      THR  90  17.627  22.557   1.514
  716   HG21  THR  90          HG21      THR  90  17.611  25.407  -0.564
  717   HG22  THR  90          HG22      THR  90  16.391  25.648   0.708
  718   HG23  THR  90          HG23      THR  90  17.912  26.543   0.777
  719    H    VAL  91           H        VAL  91  20.115  25.067   3.490
  720    HA   VAL  91           HA       VAL  91  20.759  27.815   3.044
  721    HB   VAL  91           HB       VAL  91  21.350  25.920   5.341
  722   HG11  VAL  91          HG11      VAL  91  21.937  28.913   5.217
  723   HG12  VAL  91          HG12      VAL  91  21.867  27.962   6.717
  724   HG13  VAL  91          HG13      VAL  91  23.105  27.600   5.512
  725   HG21  VAL  91          HG21      VAL  91  19.576  27.169   6.472
  726   HG22  VAL  91          HG22      VAL  91  19.455  28.302   5.113
  727   HG23  VAL  91          HG23      VAL  91  18.963  26.616   4.907
  728    H    GLU  92           H        GLU  92  22.950  24.940   3.303
  729    HA   GLU  92           HA       GLU  92  25.378  26.473   2.945
  730    HB2  GLU  92           HB2      GLU  92  24.722  23.532   2.510
  731    HB3  GLU  92           HB3      GLU  92  26.341  24.209   2.340
  732    HG2  GLU  92           HG2      GLU  92  24.683  24.303   4.905
  733    HG3  GLU  92           HG3      GLU  92  25.941  23.129   4.556
  734    H    ALA  93           H        ALA  93  23.262  24.713   0.615
  735    HA   ALA  93           HA       ALA  93  24.877  25.210  -1.685
  736    HB1  ALA  93           HB1      ALA  93  21.888  24.650  -1.393
  737    HB2  ALA  93           HB2      ALA  93  22.826  24.493  -2.887
  738    HB3  ALA  93           HB3      ALA  93  23.176  23.432  -1.522
  739    H    TYR  94           H        TYR  94  22.240  27.145  -0.225
  740    HA   TYR  94           HA       TYR  94  22.070  29.135  -2.283
  741    HB2  TYR  94           HB2      TYR  94  20.359  28.725  -0.559
  742    HB3  TYR  94           HB3      TYR  94  21.483  29.190   0.704
  743    HD1  TYR  94           HD2      TYR  94  20.273  30.693  -2.562
  744    HD2  TYR  94           HD1      TYR  94  20.973  31.247   1.661
  745    HE1  TYR  94           HE2      TYR  94  19.381  33.009  -2.714
  746    HE2  TYR  94           HE1      TYR  94  20.071  33.556   1.510
  747    HH   TYR  94           HH       TYR  94  18.878  34.935  -1.577
  748    H    LYS  95           H        LYS  95  24.089  28.961   0.685
  749    HA   LYS  95           HA       LYS  95  25.469  31.490   0.195
  750    HB2  LYS  95           HB2      LYS  95  26.109  29.041   1.883
  751    HB3  LYS  95           HB3      LYS  95  27.101  30.504   1.870
  752    HG2  LYS  95           HG2      LYS  95  25.166  31.867   2.615
  753    HG3  LYS  95           HG3      LYS  95  24.165  30.418   2.705
  754    HD2  LYS  95           HD2      LYS  95  26.685  30.980   4.333
  755    HD3  LYS  95           HD3      LYS  95  25.016  31.075   4.920
  756    HE2  LYS  95           HE2      LYS  95  24.722  28.638   4.436
  757    HE3  LYS  95           HE3      LYS  95  26.398  28.556   3.882
  758    HZ1  LYS  95           HZ1      LYS  95  26.251  27.797   6.119
  759    HZ2  LYS  95           HZ2      LYS  95  27.110  29.196   6.120
  760    HZ3  LYS  95           HZ3      LYS  95  25.554  29.197   6.654
  761    H    SER  96           H        SER  96  26.092  28.120  -0.781
  762    HA   SER  96           HA       SER  96  28.736  28.733  -1.897
  763    HB2  SER  96           HB2      SER  96  27.026  26.240  -2.187
  764    HB3  SER  96           HB3      SER  96  28.761  26.389  -2.519
  765    HG   SER  96           HG       SER  96  27.377  26.481  -0.042
  766    H    GLY  97           H        GLY  97  25.553  29.080  -3.163
  767    HA2  GLY  97           HA2      GLY  97  24.939  29.994  -5.229
  768    HA3  GLY  97           HA3      GLY  97  26.561  29.660  -5.882
  769    H    GLU  98           H        GLU  98  25.510  26.865  -4.413
  770    HA   GLU  98           HA       GLU  98  25.182  25.486  -6.956
  771    HB2  GLU  98           HB2      GLU  98  24.804  24.445  -4.123
  772    HB3  GLU  98           HB3      GLU  98  24.962  23.480  -5.593
  773    HG2  GLU  98           HG2      GLU  98  27.258  24.505  -5.919
  774    HG3  GLU  98           HG3      GLU  98  27.082  25.273  -4.335
  775    H    LEU  99           H        LEU  99  22.960  26.508  -4.323
  776    HA   LEU  99           HA       LEU  99  20.609  25.255  -5.428
  777    HB2  LEU  99           HB2      LEU  99  20.793  26.109  -3.074
  778    HB3  LEU  99           HB3      LEU  99  20.872  27.758  -3.698
  779    HG   LEU  99           HG       LEU  99  18.559  27.421  -4.682
  780   HD11  LEU  99          HD11      LEU  99  18.576  24.887  -2.994
  781   HD12  LEU  99          HD12      LEU  99  17.168  25.591  -3.810
  782   HD13  LEU  99          HD13      LEU  99  18.502  24.942  -4.770
  783   HD21  LEU  99          HD21      LEU  99  18.895  27.084  -1.676
  784   HD22  LEU  99          HD22      LEU  99  18.884  28.615  -2.576
  785   HD23  LEU  99          HD23      LEU  99  17.411  27.635  -2.489
  786    H    GLN 100           H        GLN 100  21.996  28.547  -5.833
  787    HA   GLN 100           HA       GLN 100  20.089  29.570  -7.680
  788    HB2  GLN 100           HB2      GLN 100  21.818  30.907  -6.519
  789    HB3  GLN 100           HB3      GLN 100  23.086  30.116  -7.448
  790    HG2  GLN 100           HG2      GLN 100  22.211  31.064  -9.541
  791    HG3  GLN 100           HG3      GLN 100  20.870  31.812  -8.674
  792   HE21  GLN 100          HE22      GLN 100  21.487  33.486  -6.939
  793   HE22  GLN 100          HE21      GLN 100  22.953  34.405  -7.225
  794    H    GLU 101           H        GLU 101  23.173  27.803  -8.369
  795    HA   GLU 101           HA       GLU 101  22.916  27.731 -11.162
  796    HB2  GLU 101           HB2      GLU 101  24.931  27.139  -9.776
  797    HB3  GLU 101           HB3      GLU 101  24.154  25.617  -9.352
  798    HG2  GLU 101           HG2      GLU 101  25.693  25.158 -11.102
  799    HG3  GLU 101           HG3      GLU 101  24.093  25.038 -11.818
  800    H    GLN 102           H        GLN 102  21.800  25.203  -8.782
  801    HA   GLN 102           HA       GLN 102  20.628  23.593 -10.849
  802    HB2  GLN 102           HB2      GLN 102  20.207  23.614  -7.835
  803    HB3  GLN 102           HB3      GLN 102  19.517  22.407  -8.919
  804    HG2  GLN 102           HG2      GLN 102  22.515  22.898  -8.587
  805    HG3  GLN 102           HG3      GLN 102  21.600  21.613  -7.809
  806   HE21  GLN 102          HE22      GLN 102  20.608  19.901  -9.238
  807   HE22  GLN 102          HE21      GLN 102  21.355  19.619 -10.799
  808    H    VAL 103           H        VAL 103  19.171  26.147  -8.772
  809    HA   VAL 103           HA       VAL 103  16.467  25.619  -9.644
  810    HB   VAL 103           HB       VAL 103  17.784  28.046  -8.408
  811   HG11  VAL 103          HG11      VAL 103  15.938  28.971  -9.723
  812   HG12  VAL 103          HG12      VAL 103  14.830  27.727  -9.098
  813   HG13  VAL 103          HG13      VAL 103  15.502  28.966  -8.015
  814   HG21  VAL 103          HG21      VAL 103  17.387  25.970  -6.984
  815   HG22  VAL 103          HG22      VAL 103  16.464  27.370  -6.432
  816   HG23  VAL 103          HG23      VAL 103  15.666  26.089  -7.369
  817    H    GLU 104           H        GLU 104  19.025  27.864 -10.935
  818    HA   GLU 104           HA       GLU 104  17.416  28.815 -13.107
  819    HB2  GLU 104           HB2      GLU 104  20.419  28.641 -12.678
  820    HB3  GLU 104           HB3      GLU 104  19.713  29.190 -14.200
  821    HG2  GLU 104           HG2      GLU 104  18.386  30.915 -12.938
  822    HG3  GLU 104           HG3      GLU 104  19.255  30.459 -11.474
  823    H    LYS 105           H        LYS 105  19.660  25.978 -12.866
  824    HA   LYS 105           HA       LYS 105  19.281  25.053 -15.523
  825    HB2  LYS 105           HB2      LYS 105  21.062  24.226 -14.085
  826    HB3  LYS 105           HB3      LYS 105  19.895  23.604 -12.920
  827    HG2  LYS 105           HG2      LYS 105  20.895  21.802 -14.221
  828    HG3  LYS 105           HG3      LYS 105  19.149  21.881 -14.471
  829    HD2  LYS 105           HD2      LYS 105  19.511  23.041 -16.640
  830    HD3  LYS 105           HD3      LYS 105  21.270  22.982 -16.374
  831    HE2  LYS 105           HE2      LYS 105  21.264  20.561 -16.463
  832    HE3  LYS 105           HE3      LYS 105  19.497  20.490 -16.394
  833    HZ1  LYS 105           HZ1      LYS 105  20.367  20.163 -18.655
  834    HZ2  LYS 105           HZ2      LYS 105  19.363  21.450 -18.579
  835    HZ3  LYS 105           HZ3      LYS 105  20.994  21.672 -18.666
  836    H    ALA 106           H        ALA 106  17.323  24.308 -12.579
  837    HA   ALA 106           HA       ALA 106  15.501  22.521 -13.841
  838    HB1  ALA 106           HB1      ALA 106  14.050  23.045 -11.907
  839    HB2  ALA 106           HB2      ALA 106  15.729  22.770 -11.406
  840    HB3  ALA 106           HB3      ALA 106  15.083  24.427 -11.485
  841    H    MET 107           H        MET 107  15.510  26.085 -13.822
  842    HA   MET 107           HA       MET 107  12.916  26.323 -15.174
  843    HB2  MET 107           HB2      MET 107  15.207  28.288 -14.730
  844    HB3  MET 107           HB3      MET 107  13.678  28.696 -15.520
  845    HG2  MET 107           HG2      MET 107  12.420  28.130 -13.512
  846    HG3  MET 107           HG3      MET 107  13.881  27.572 -12.697
  847    HE1  MET 107           HE1      MET 107  12.980  30.744 -10.648
  848    HE2  MET 107           HE2      MET 107  11.843  29.596 -11.391
  849    HE3  MET 107           HE3      MET 107  13.325  29.003 -10.608
  850    H    CYS 108           H        CYS 108  16.333  26.744 -16.262
  851    HA   CYS 108           HA       CYS 108  15.760  27.171 -19.003
  852    HB2  CYS 108           HB2      CYS 108  18.253  25.985 -17.688
  853    HB3  CYS 108           HB3      CYS 108  18.161  26.619 -19.341
  854    HG   CYS 108           HG       CYS 108  17.783  28.145 -16.438
  855    H    SER 109           H        SER 109  16.194  24.142 -17.266
  856    HA   SER 109           HA       SER 109  15.548  22.018 -17.643
  857    HB2  SER 109           HB2      SER 109  14.004  23.079 -20.047
  858    HB3  SER 109           HB3      SER 109  13.762  21.528 -19.222
  859    HG   SER 109           HG       SER 109  13.486  24.125 -18.066
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -2.111   0.350  -8.107
    2    H2   MET   1           H2       MET   1  -1.348  -0.130  -9.480
    3    H3   MET   1           H3       MET   1  -1.092  -0.926  -8.078
    4    HA   MET   1           HA       MET   1   0.806   0.469  -8.590
    5    HB2  MET   1           HB2      MET   1  -1.248   2.738  -8.435
    6    HB3  MET   1           HB3      MET   1   0.501   2.969  -8.392
    7    HG2  MET   1           HG2      MET   1   0.674   1.851 -10.628
    8    HG3  MET   1           HG3      MET   1  -1.094   1.839 -10.713
    9    HE1  MET   1           HE1      MET   1   0.684   3.078 -12.998
   10    HE2  MET   1           HE2      MET   1  -1.097   3.108 -13.010
   11    HE3  MET   1           HE3      MET   1  -0.178   4.598 -13.318
   12    H    ALA   2           H        ALA   2   2.055   1.573  -6.897
   13    HA   ALA   2           HA       ALA   2   1.332   0.712  -4.232
   14    HB1  ALA   2           HB1      ALA   2   3.524   1.684  -3.660
   15    HB2  ALA   2           HB2      ALA   2   3.639   0.715  -5.142
   16    HB3  ALA   2           HB3      ALA   2   3.601   2.494  -5.240
   17    H    LEU   3           H        LEU   3   0.814   3.723  -5.916
   18    HA   LEU   3           HA       LEU   3  -0.455   4.889  -3.510
   19    HB2  LEU   3           HB2      LEU   3   1.925   5.705  -3.718
   20    HB3  LEU   3           HB3      LEU   3   1.538   6.363  -5.299
   21    HG   LEU   3           HG       LEU   3  -0.058   7.958  -4.252
   22   HD11  LEU   3          HD11      LEU   3  -0.842   6.772  -2.296
   23   HD12  LEU   3          HD12      LEU   3   0.806   6.573  -1.674
   24   HD13  LEU   3          HD13      LEU   3   0.043   8.179  -1.705
   25   HD21  LEU   3          HD21      LEU   3   2.724   7.923  -3.000
   26   HD22  LEU   3          HD22      LEU   3   2.294   8.604  -4.580
   27   HD23  LEU   3          HD23      LEU   3   1.658   9.341  -3.104
   28    H    THR   4           H        THR   4  -2.082   6.469  -4.008
   29    HA   THR   4           HA       THR   4  -3.811   5.717  -6.088
   30    HB   THR   4           HB       THR   4  -5.113   7.777  -5.414
   31    HG1  THR   4           HG1      THR   4  -3.074   8.812  -4.749
   32   HG21  THR   4          HG21      THR   4  -4.162   5.971  -3.138
   33   HG22  THR   4          HG22      THR   4  -5.648   6.934  -3.177
   34   HG23  THR   4          HG23      THR   4  -5.449   5.580  -4.302
   35    HA   PRO   5           HA       PRO   5  -1.923   7.863  -9.552
   36    HB2  PRO   5           HB2      PRO   5  -4.720   7.571 -10.682
   37    HB3  PRO   5           HB3      PRO   5  -3.136   7.300 -11.486
   38    HG2  PRO   5           HG2      PRO   5  -4.552   5.190 -10.554
   39    HG3  PRO   5           HG3      PRO   5  -2.783   5.280 -10.269
   40    HD2  PRO   5           HD2      PRO   5  -5.033   5.938  -8.361
   41    HD3  PRO   5           HD3      PRO   5  -3.504   5.050  -8.071
   42    H    ALA   6           H        ALA   6  -5.129   9.034  -8.363
   43    HA   ALA   6           HA       ALA   6  -5.051  11.580  -9.635
   44    HB1  ALA   6           HB1      ALA   6  -6.765  12.168  -7.941
   45    HB2  ALA   6           HB2      ALA   6  -7.070  10.568  -8.638
   46    HB3  ALA   6           HB3      ALA   6  -6.364  10.709  -7.012
   47    H    LEU   7           H        LEU   7  -3.673  10.518  -6.518
   48    HA   LEU   7           HA       LEU   7  -2.661  13.146  -5.785
   49    HB2  LEU   7           HB2      LEU   7  -3.031  11.389  -4.096
   50    HB3  LEU   7           HB3      LEU   7  -1.832  10.353  -4.889
   51    HG   LEU   7           HG       LEU   7  -0.038  11.941  -4.367
   52   HD11  LEU   7          HD11      LEU   7  -1.218  14.098  -4.330
   53   HD12  LEU   7          HD12      LEU   7  -2.190  13.570  -2.935
   54   HD13  LEU   7          HD13      LEU   7  -0.440  13.822  -2.769
   55   HD21  LEU   7          HD21      LEU   7   0.036  11.534  -1.960
   56   HD22  LEU   7          HD22      LEU   7  -1.720  11.237  -1.941
   57   HD23  LEU   7          HD23      LEU   7  -0.639  10.130  -2.804
   58    H    LYS   8           H        LYS   8  -1.166  10.246  -7.378
   59    HA   LYS   8           HA       LYS   8   1.402  11.419  -7.745
   60    HB2  LYS   8           HB2      LYS   8  -0.071   9.395  -9.491
   61    HB3  LYS   8           HB3      LYS   8   1.643   9.789  -9.605
   62    HG2  LYS   8           HG2      LYS   8   1.962   9.023  -7.232
   63    HG3  LYS   8           HG3      LYS   8   0.258   8.571  -7.169
   64    HD2  LYS   8           HD2      LYS   8   1.523   6.579  -7.627
   65    HD3  LYS   8           HD3      LYS   8   0.630   6.999  -9.096
   66    HE2  LYS   8           HE2      LYS   8   2.694   8.049 -10.042
   67    HE3  LYS   8           HE3      LYS   8   3.572   7.671  -8.552
   68    HZ1  LYS   8           HZ1      LYS   8   3.994   6.037 -10.292
   69    HZ2  LYS   8           HZ2      LYS   8   3.247   5.308  -9.037
   70    HZ3  LYS   8           HZ3      LYS   8   2.413   5.656 -10.409
   71    H    THR   9           H        THR   9  -1.493  11.713  -9.815
   72    HA   THR   9           HA       THR   9  -0.400  13.300 -11.914
   73    HB   THR   9           HB       THR   9  -3.190  13.024 -10.841
   74    HG1  THR   9           HG1      THR   9  -2.566  11.073 -11.556
   75   HG21  THR   9          HG21      THR   9  -3.848  13.652 -13.157
   76   HG22  THR   9          HG22      THR   9  -3.081  14.976 -12.262
   77   HG23  THR   9          HG23      THR   9  -2.148  14.072 -13.485
   78    H    THR  10           H        THR  10  -1.941  14.186  -8.801
   79    HA   THR  10           HA       THR  10  -1.891  17.047  -9.230
   80    HB   THR  10           HB       THR  10  -1.989  15.454  -6.626
   81    HG1  THR  10           HG1      THR  10  -3.721  14.915  -7.908
   82   HG21  THR  10          HG21      THR  10  -3.147  17.493  -5.765
   83   HG22  THR  10          HG22      THR  10  -1.463  17.820  -6.198
   84   HG23  THR  10          HG23      THR  10  -2.774  18.329  -7.289
   85    H    LEU  11           H        LEU  11   0.300  14.831  -7.494
   86    HA   LEU  11           HA       LEU  11   2.266  16.717  -6.681
   87    HB2  LEU  11           HB2      LEU  11   2.498  13.771  -7.413
   88    HB3  LEU  11           HB3      LEU  11   3.794  14.703  -6.671
   89    HG   LEU  11           HG       LEU  11   1.067  14.260  -5.381
   90   HD11  LEU  11          HD11      LEU  11   2.349  12.151  -5.645
   91   HD12  LEU  11          HD12      LEU  11   3.737  12.903  -4.829
   92   HD13  LEU  11          HD13      LEU  11   2.217  12.639  -3.951
   93   HD21  LEU  11          HD21      LEU  11   2.147  15.059  -3.323
   94   HD22  LEU  11          HD22      LEU  11   3.634  15.405  -4.231
   95   HD23  LEU  11          HD23      LEU  11   2.144  16.316  -4.560
   96    H    ASP  12           H        ASP  12   2.284  14.664  -9.668
   97    HA   ASP  12           HA       ASP  12   4.506  15.892 -10.898
   98    HB2  ASP  12           HB2      ASP  12   3.443  13.815 -11.673
   99    HB3  ASP  12           HB3      ASP  12   2.001  14.708 -12.163
  100    H    LYS  13           H        LYS  13   1.034  16.910 -11.076
  101    HA   LYS  13           HA       LYS  13   1.457  19.112 -12.817
  102    HB2  LYS  13           HB2      LYS  13  -0.717  18.089 -12.277
  103    HB3  LYS  13           HB3      LYS  13  -0.663  18.776 -10.645
  104    HG2  LYS  13           HG2      LYS  13  -0.616  21.069 -11.624
  105    HG3  LYS  13           HG3      LYS  13  -0.660  20.378 -13.249
  106    HD2  LYS  13           HD2      LYS  13  -2.829  20.047 -11.118
  107    HD3  LYS  13           HD3      LYS  13  -2.865  21.216 -12.447
  108    HE2  LYS  13           HE2      LYS  13  -2.762  19.328 -14.092
  109    HE3  LYS  13           HE3      LYS  13  -2.826  18.177 -12.750
  110    HZ1  LYS  13           HZ1      LYS  13  -5.021  18.556 -13.693
  111    HZ2  LYS  13           HZ2      LYS  13  -5.003  19.111 -12.153
  112    HZ3  LYS  13           HZ3      LYS  13  -4.937  20.161 -13.407
  113    H    VAL  14           H        VAL  14   1.472  19.193  -9.135
  114    HA   VAL  14           HA       VAL  14   2.283  21.932  -9.187
  115    HB   VAL  14           HB       VAL  14   2.798  21.737  -6.884
  116   HG11  VAL  14          HG11      VAL  14   0.522  21.301  -6.075
  117   HG12  VAL  14          HG12      VAL  14   0.505  22.181  -7.616
  118   HG13  VAL  14          HG13      VAL  14   0.146  20.442  -7.578
  119   HG21  VAL  14          HG21      VAL  14   3.692  19.432  -6.698
  120   HG22  VAL  14          HG22      VAL  14   2.446  19.802  -5.502
  121   HG23  VAL  14          HG23      VAL  14   2.035  18.828  -6.914
  122    H    VAL  15           H        VAL  15   4.207  18.921  -9.078
  123    HA   VAL  15           HA       VAL  15   6.747  20.070  -8.622
  124    HB   VAL  15           HB       VAL  15   5.807  17.568  -9.913
  125   HG11  VAL  15          HG11      VAL  15   8.073  16.654  -9.964
  126   HG12  VAL  15          HG12      VAL  15   7.902  17.985 -11.098
  127   HG13  VAL  15          HG13      VAL  15   8.734  18.253  -9.544
  128   HG21  VAL  15          HG21      VAL  15   7.468  18.054  -7.408
  129   HG22  VAL  15          HG22      VAL  15   5.705  17.883  -7.400
  130   HG23  VAL  15          HG23      VAL  15   6.714  16.523  -7.905
  131    H    THR  16           H        THR  16   5.038  19.555 -11.735
  132    HA   THR  16           HA       THR  16   7.280  20.594 -13.307
  133    HB   THR  16           HB       THR  16   5.658  20.456 -15.213
  134    HG1  THR  16           HG1      THR  16   4.012  19.035 -13.420
  135   HG21  THR  16          HG21      THR  16   7.159  18.590 -14.710
  136   HG22  THR  16          HG22      THR  16   6.009  17.934 -13.529
  137   HG23  THR  16          HG23      THR  16   5.583  17.990 -15.253
  138    H    SER  17           H        SER  17   4.046  21.902 -12.461
  139    HA   SER  17           HA       SER  17   4.411  24.333 -13.910
  140    HB2  SER  17           HB2      SER  17   2.469  25.163 -12.634
  141    HB3  SER  17           HB3      SER  17   2.199  23.543 -13.292
  142    HG   SER  17           HG       SER  17   2.263  22.691 -11.323
  143    H    HIS  18           H        HIS  18   5.111  23.651 -10.453
  144    HA   HIS  18           HA       HIS  18   6.091  26.463 -10.100
  145    HB2  HIS  18           HB2      HIS  18   5.457  24.245  -8.108
  146    HB3  HIS  18           HB3      HIS  18   6.105  25.815  -7.685
  147    HD1  HIS  18           HD1      HIS  18   2.901  24.695  -9.670
  148    HD2  HIS  18           HD2      HIS  18   4.374  27.534  -6.934
  149    HE1  HIS  18           HE1      HIS  18   0.929  26.152  -9.018
  150    H    LYS  19           H        LYS  19   7.415  23.578 -11.056
  151    HA   LYS  19           HA       LYS  19   9.423  22.606 -11.174
  152    HB2  LYS  19           HB2      LYS  19  10.309  25.484 -10.752
  153    HB3  LYS  19           HB3      LYS  19  11.463  24.184 -11.042
  154    HG2  LYS  19           HG2      LYS  19   9.123  24.712 -12.918
  155    HG3  LYS  19           HG3      LYS  19  10.684  25.523 -13.081
  156    HD2  LYS  19           HD2      LYS  19  11.852  23.428 -13.398
  157    HD3  LYS  19           HD3      LYS  19  10.391  22.480 -13.065
  158    HE2  LYS  19           HE2      LYS  19   9.271  23.400 -15.038
  159    HE3  LYS  19           HE3      LYS  19  10.677  24.418 -15.400
  160    HZ1  LYS  19           HZ1      LYS  19  10.644  22.305 -16.680
  161    HZ2  LYS  19           HZ2      LYS  19  11.995  22.438 -15.748
  162    HZ3  LYS  19           HZ3      LYS  19  10.785  21.442 -15.279
  163    H    VAL  20           H        VAL  20   9.688  24.695  -8.310
  164    HA   VAL  20           HA       VAL  20  11.082  22.459  -6.845
  165    HB   VAL  20           HB       VAL  20  10.907  25.408  -6.116
  166   HG11  VAL  20          HG11      VAL  20  11.065  24.132  -4.073
  167   HG12  VAL  20          HG12      VAL  20  12.258  23.027  -4.785
  168   HG13  VAL  20          HG13      VAL  20  12.698  24.702  -4.423
  169   HG21  VAL  20          HG21      VAL  20  13.307  23.817  -7.103
  170   HG22  VAL  20          HG22      VAL  20  12.419  25.025  -8.054
  171   HG23  VAL  20          HG23      VAL  20  13.299  25.517  -6.606
  172    H    VAL  21           H        VAL  21  10.039  21.495  -5.132
  173    HA   VAL  21           HA       VAL  21   7.655  22.865  -3.964
  174    HB   VAL  21           HB       VAL  21   6.320  20.884  -3.904
  175   HG11  VAL  21          HG11      VAL  21   5.720  20.659  -6.249
  176   HG12  VAL  21          HG12      VAL  21   6.185  22.338  -5.933
  177   HG13  VAL  21          HG13      VAL  21   7.311  21.259  -6.764
  178   HG21  VAL  21          HG21      VAL  21   7.979  19.105  -3.785
  179   HG22  VAL  21          HG22      VAL  21   6.887  18.816  -5.136
  180   HG23  VAL  21          HG23      VAL  21   8.520  19.450  -5.449
  181    H    LEU  22           H        LEU  22   7.392  22.657  -1.820
  182    HA   LEU  22           HA       LEU  22   9.405  21.089  -0.244
  183    HB2  LEU  22           HB2      LEU  22   7.593  23.460   0.350
  184    HB3  LEU  22           HB3      LEU  22   8.263  22.504   1.645
  185    HG   LEU  22           HG       LEU  22   9.487  24.574   1.275
  186   HD11  LEU  22          HD11      LEU  22  10.606  22.585   2.262
  187   HD12  LEU  22          HD12      LEU  22  11.182  22.120   0.649
  188   HD13  LEU  22          HD13      LEU  22  11.735  23.632   1.388
  189   HD21  LEU  22          HD21      LEU  22  10.449  23.447  -1.384
  190   HD22  LEU  22          HD22      LEU  22   9.250  24.749  -1.205
  191   HD23  LEU  22          HD23      LEU  22  10.906  24.978  -0.616
  192    H    PHE  23           H        PHE  23   8.837  19.573   1.209
  193    HA   PHE  23           HA       PHE  23   5.948  18.920   1.679
  194    HB2  PHE  23           HB2      PHE  23   8.335  17.045   1.458
  195    HB3  PHE  23           HB3      PHE  23   6.729  16.565   1.987
  196    HD1  PHE  23           HD1      PHE  23   4.768  16.856   0.355
  197    HD2  PHE  23           HD2      PHE  23   8.904  16.997  -0.855
  198    HE1  PHE  23           HE1      PHE  23   4.102  16.355  -1.982
  199    HE2  PHE  23           HE2      PHE  23   8.229  16.445  -3.184
  200    HZ   PHE  23           HZ       PHE  23   5.838  16.156  -3.756
  201    H    MET  24           H        MET  24   5.467  19.487   3.725
  202    HA   MET  24           HA       MET  24   6.911  18.646   6.051
  203    HB2  MET  24           HB2      MET  24   7.522  21.077   6.802
  204    HB3  MET  24           HB3      MET  24   8.578  20.152   5.784
  205    HG2  MET  24           HG2      MET  24   8.462  22.483   5.137
  206    HG3  MET  24           HG3      MET  24   8.031  21.406   3.826
  207    HE1  MET  24           HE1      MET  24   6.159  25.087   3.908
  208    HE2  MET  24           HE2      MET  24   7.619  24.649   4.796
  209    HE3  MET  24           HE3      MET  24   7.474  24.215   3.081
  210    H    LYS  25           H        LYS  25   6.071  20.332   8.004
  211    HA   LYS  25           HA       LYS  25   3.168  19.839   8.039
  212    HB2  LYS  25           HB2      LYS  25   3.367  20.233  10.418
  213    HB3  LYS  25           HB3      LYS  25   4.649  19.172   9.868
  214    HG2  LYS  25           HG2      LYS  25   6.263  21.080   9.911
  215    HG3  LYS  25           HG3      LYS  25   4.976  22.131  10.527
  216    HD2  LYS  25           HD2      LYS  25   4.719  20.660  12.504
  217    HD3  LYS  25           HD3      LYS  25   6.013  19.607  11.889
  218    HE2  LYS  25           HE2      LYS  25   7.606  21.530  11.968
  219    HE3  LYS  25           HE3      LYS  25   6.320  22.573  12.588
  220    HZ1  LYS  25           HZ1      LYS  25   6.188  21.131  14.551
  221    HZ2  LYS  25           HZ2      LYS  25   7.392  20.175  13.980
  222    HZ3  LYS  25           HZ3      LYS  25   7.696  21.732  14.384
  223    H    GLY  26           H        GLY  26   2.427  21.998   9.874
  224    HA2  GLY  26           HA2      GLY  26   1.745  24.208   9.969
  225    HA3  GLY  26           HA3      GLY  26   3.128  24.589   8.933
  226    H    THR  27           H        THR  27   2.059  26.167   7.767
  227    HA   THR  27           HA       THR  27   0.303  25.149   5.586
  228    HB   THR  27           HB       THR  27  -0.962  27.178   5.470
  229    HG1  THR  27           HG1      THR  27  -0.693  28.681   7.256
  230   HG21  THR  27          HG21      THR  27  -1.826  25.429   7.020
  231   HG22  THR  27          HG22      THR  27  -1.023  26.253   8.373
  232   HG23  THR  27          HG23      THR  27  -2.315  27.071   7.470
  233    H    LYS  28           H        LYS  28   0.422  26.870   3.687
  234    HA   LYS  28           HA       LYS  28   3.231  27.288   3.079
  235    HB2  LYS  28           HB2      LYS  28   1.496  26.720   1.435
  236    HB3  LYS  28           HB3      LYS  28   0.729  28.302   1.672
  237    HG2  LYS  28           HG2      LYS  28   2.531  29.451   0.638
  238    HG3  LYS  28           HG3      LYS  28   3.657  28.105   0.868
  239    HD2  LYS  28           HD2      LYS  28   3.012  28.369  -1.483
  240    HD3  LYS  28           HD3      LYS  28   2.575  26.785  -0.827
  241    HE2  LYS  28           HE2      LYS  28   0.231  27.533  -0.529
  242    HE3  LYS  28           HE3      LYS  28   0.648  29.125  -1.189
  243    HZ1  LYS  28           HZ1      LYS  28   0.977  26.566  -2.678
  244    HZ2  LYS  28           HZ2      LYS  28  -0.321  27.565  -2.850
  245    HZ3  LYS  28           HZ3      LYS  28   1.172  28.082  -3.286
  246    H    ASP  29           H        ASP  29   1.063  29.146   4.959
  247    HA   ASP  29           HA       ASP  29   2.647  31.657   4.636
  248    HB2  ASP  29           HB2      ASP  29   0.146  31.723   4.486
  249    HB3  ASP  29           HB3      ASP  29   0.063  31.189   6.166
  250    H    PHE  30           H        PHE  30   1.704  29.237   7.148
  251    HA   PHE  30           HA       PHE  30   3.163  30.706   9.219
  252    HB2  PHE  30           HB2      PHE  30   1.703  28.056   9.360
  253    HB3  PHE  30           HB3      PHE  30   2.295  28.992  10.723
  254    HD1  PHE  30           HD1      PHE  30   1.292  31.798   9.661
  255    HD2  PHE  30           HD2      PHE  30  -0.553  27.917  10.059
  256    HE1  PHE  30           HE1      PHE  30  -0.928  32.867   9.827
  257    HE2  PHE  30           HE2      PHE  30  -2.777  28.999  10.222
  258    HZ   PHE  30           HZ       PHE  30  -2.971  31.479  10.107
  259    HA   PRO  31           HA       PRO  31   6.819  28.339   8.138
  260    HB2  PRO  31           HB2      PRO  31   8.617  29.344   9.961
  261    HB3  PRO  31           HB3      PRO  31   8.055  30.233   8.513
  262    HG2  PRO  31           HG2      PRO  31   7.012  30.446  11.353
  263    HG3  PRO  31           HG3      PRO  31   7.463  31.775  10.237
  264    HD2  PRO  31           HD2      PRO  31   4.890  30.994  10.536
  265    HD3  PRO  31           HD3      PRO  31   5.521  31.446   8.917
  266    H    GLN  32           H        GLN  32   7.415  26.427   8.571
  267    HA   GLN  32           HA       GLN  32   6.470  24.886  10.800
  268    HB2  GLN  32           HB2      GLN  32   8.412  24.261   8.487
  269    HB3  GLN  32           HB3      GLN  32   7.695  23.067   9.563
  270    HG2  GLN  32           HG2      GLN  32   6.433  22.970   7.574
  271    HG3  GLN  32           HG3      GLN  32   5.427  23.758   8.785
  272   HE21  GLN  32          HE22      GLN  32   4.242  24.261   6.682
  273   HE22  GLN  32          HE21      GLN  32   4.568  25.884   6.088
  274    H    CYS  33           H        CYS  33   9.611  26.235   9.981
  275    HA   CYS  33           HA       CYS  33  10.950  25.722  12.462
  276    HB2  CYS  33           HB2      CYS  33  10.826  23.375  11.577
  277    HB3  CYS  33           HB3      CYS  33  11.640  23.887  10.094
  278    HG   CYS  33           HG       CYS  33  13.274  22.527  11.702
  279    H    GLY  34           H        GLY  34  13.108  26.660  12.409
  280    HA2  GLY  34           HA2      GLY  34  13.317  29.001  10.832
  281    HA3  GLY  34           HA3      GLY  34  14.632  28.283  11.794
  282    H    PHE  35           H        PHE  35  14.846  25.796  10.306
  283    HA   PHE  35           HA       PHE  35  16.431  26.570   8.034
  284    HB2  PHE  35           HB2      PHE  35  15.219  23.856   8.721
  285    HB3  PHE  35           HB3      PHE  35  16.496  24.154   7.547
  286    HD1  PHE  35           HD2      PHE  35  18.635  25.445   8.448
  287    HD2  PHE  35           HD1      PHE  35  15.891  23.190  10.893
  288    HE1  PHE  35           HE2      PHE  35  20.386  25.190  10.190
  289    HE2  PHE  35           HE1      PHE  35  17.641  22.942  12.630
  290    HZ   PHE  35           HZ       PHE  35  19.895  23.942  12.282
  291    H    SER  36           H        SER  36  13.153  25.007   8.144
  292    HA   SER  36           HA       SER  36  12.650  25.110   5.363
  293    HB2  SER  36           HB2      SER  36  10.630  25.327   7.626
  294    HB3  SER  36           HB3      SER  36  10.319  24.772   5.967
  295    HG   SER  36           HG       SER  36  10.683  23.029   7.483
  296    H    GLN  37           H        GLN  37  11.863  27.591   7.863
  297    HA   GLN  37           HA       GLN  37  10.654  29.494   6.103
  298    HB2  GLN  37           HB2      GLN  37  10.620  29.507   8.609
  299    HB3  GLN  37           HB3      GLN  37  12.320  29.974   8.620
  300    HG2  GLN  37           HG2      GLN  37  11.747  32.083   7.416
  301    HG3  GLN  37           HG3      GLN  37  10.057  31.581   7.340
  302   HE21  GLN  37          HE22      GLN  37   9.836  33.816   8.430
  303   HE22  GLN  37          HE21      GLN  37   9.937  33.820  10.185
  304    H    THR  38           H        THR  38  14.113  29.148   7.102
  305    HA   THR  38           HA       THR  38  15.148  31.206   5.448
  306    HB   THR  38           HB       THR  38  16.542  28.646   6.346
  307    HG1  THR  38           HG1      THR  38  15.852  29.753   8.117
  308   HG21  THR  38          HG21      THR  38  18.591  30.040   6.175
  309   HG22  THR  38          HG22      THR  38  17.816  29.840   4.603
  310   HG23  THR  38          HG23      THR  38  17.630  31.370   5.479
  311    H    VAL  39           H        VAL  39  14.720  27.722   4.702
  312    HA   VAL  39           HA       VAL  39  15.637  27.850   2.016
  313    HB   VAL  39           HB       VAL  39  13.693  25.970   3.366
  314   HG11  VAL  39          HG11      VAL  39  12.994  25.859   1.053
  315   HG12  VAL  39          HG12      VAL  39  14.675  25.876   0.485
  316   HG13  VAL  39          HG13      VAL  39  14.035  24.469   1.364
  317   HG21  VAL  39          HG21      VAL  39  16.562  25.721   2.354
  318   HG22  VAL  39          HG22      VAL  39  16.064  25.863   4.046
  319   HG23  VAL  39          HG23      VAL  39  15.609  24.436   3.121
  320    H    VAL  40           H        VAL  40  12.287  28.346   3.247
  321    HA   VAL  40           HA       VAL  40  11.055  28.845   0.731
  322    HB   VAL  40           HB       VAL  40  10.451  29.614   3.580
  323   HG11  VAL  40          HG11      VAL  40   8.262  30.506   2.977
  324   HG12  VAL  40          HG12      VAL  40   9.547  31.535   2.333
  325   HG13  VAL  40          HG13      VAL  40   8.668  30.420   1.261
  326   HG21  VAL  40          HG21      VAL  40   8.578  28.065   3.271
  327   HG22  VAL  40          HG22      VAL  40   8.966  27.893   1.546
  328   HG23  VAL  40          HG23      VAL  40  10.078  27.272   2.775
  329    H    GLN  41           H        GLN  41  12.643  31.197   2.984
  330    HA   GLN  41           HA       GLN  41  12.359  33.467   1.209
  331    HB2  GLN  41           HB2      GLN  41  14.307  32.851   3.481
  332    HB3  GLN  41           HB3      GLN  41  14.221  34.408   2.656
  333    HG2  GLN  41           HG2      GLN  41  11.911  33.126   4.193
  334    HG3  GLN  41           HG3      GLN  41  12.986  34.372   4.815
  335   HE21  GLN  41          HE22      GLN  41  12.923  36.561   3.724
  336   HE22  GLN  41          HE21      GLN  41  11.433  37.021   2.912
  337    H    ILE  42           H        ILE  42  14.974  31.045   1.548
  338    HA   ILE  42           HA       ILE  42  16.847  32.189  -0.256
  339    HB   ILE  42           HB       ILE  42  16.297  29.462   0.857
  340   HG12  ILE  42          HG12      ILE  42  18.785  31.207   0.771
  341   HG13  ILE  42          HG13      ILE  42  17.587  31.218   2.058
  342   HG21  ILE  42          HG21      ILE  42  18.243  29.813  -1.431
  343   HG22  ILE  42          HG22      ILE  42  18.132  28.378  -0.378
  344   HG23  ILE  42          HG23      ILE  42  16.795  28.787  -1.416
  345   HD11  ILE  42          HD11      ILE  42  18.081  28.768   2.469
  346   HD12  ILE  42          HD12      ILE  42  19.439  28.914   1.336
  347   HD13  ILE  42          HD13      ILE  42  19.432  29.876   2.811
  348    H    LEU  43           H        LEU  43  14.212  29.865  -1.070
  349    HA   LEU  43           HA       LEU  43  14.874  29.768  -3.873
  350    HB2  LEU  43           HB2      LEU  43  12.241  29.351  -2.378
  351    HB3  LEU  43           HB3      LEU  43  12.478  28.952  -4.082
  352    HG   LEU  43           HG       LEU  43  14.102  27.692  -1.825
  353   HD11  LEU  43          HD11      LEU  43  11.645  26.643  -3.279
  354   HD12  LEU  43          HD12      LEU  43  12.605  25.773  -2.065
  355   HD13  LEU  43          HD13      LEU  43  11.692  27.204  -1.590
  356   HD21  LEU  43          HD21      LEU  43  14.634  25.985  -3.543
  357   HD22  LEU  43          HD22      LEU  43  13.764  26.950  -4.759
  358   HD23  LEU  43          HD23      LEU  43  15.241  27.577  -4.002
  359    H    LYS  44           H        LYS  44  12.468  31.726  -2.089
  360    HA   LYS  44           HA       LYS  44  11.505  33.248  -4.234
  361    HB2  LYS  44           HB2      LYS  44  10.883  33.173  -1.651
  362    HB3  LYS  44           HB3      LYS  44  12.057  34.456  -1.484
  363    HG2  LYS  44           HG2      LYS  44   9.936  35.478  -1.677
  364    HG3  LYS  44           HG3      LYS  44  10.737  35.770  -3.225
  365    HD2  LYS  44           HD2      LYS  44   9.384  33.991  -4.290
  366    HD3  LYS  44           HD3      LYS  44   8.776  33.482  -2.713
  367    HE2  LYS  44           HE2      LYS  44   7.034  34.710  -3.779
  368    HE3  LYS  44           HE3      LYS  44   7.630  35.661  -2.417
  369    HZ1  LYS  44           HZ1      LYS  44   8.367  36.117  -5.268
  370    HZ2  LYS  44           HZ2      LYS  44   7.296  37.009  -4.417
  371    HZ3  LYS  44           HZ3      LYS  44   8.876  37.034  -4.004
  372    H    SER  45           H        SER  45  14.235  34.058  -2.101
  373    HA   SER  45           HA       SER  45  15.105  36.429  -3.416
  374    HB2  SER  45           HB2      SER  45  16.715  34.594  -1.606
  375    HB3  SER  45           HB3      SER  45  17.026  36.301  -1.948
  376    HG   SER  45           HG       SER  45  14.970  35.106  -0.425
  377    H    LEU  46           H        LEU  46  16.189  33.028  -3.861
  378    HA   LEU  46           HA       LEU  46  18.394  33.485  -5.588
  379    HB2  LEU  46           HB2      LEU  46  17.843  31.319  -4.570
  380    HB3  LEU  46           HB3      LEU  46  16.294  31.276  -5.399
  381    HG   LEU  46           HG       LEU  46  17.433  31.018  -7.576
  382   HD11  LEU  46          HD11      LEU  46  19.595  32.138  -7.055
  383   HD12  LEU  46          HD12      LEU  46  20.002  30.825  -5.928
  384   HD13  LEU  46          HD13      LEU  46  19.831  30.498  -7.668
  385   HD21  LEU  46          HD21      LEU  46  18.287  29.006  -5.445
  386   HD22  LEU  46          HD22      LEU  46  16.711  29.046  -6.269
  387   HD23  LEU  46          HD23      LEU  46  18.185  28.696  -7.188
  388    H    ASN  47           H        ASN  47  14.957  33.562  -6.088
  389    HA   ASN  47           HA       ASN  47  13.945  35.248  -7.351
  390    HB2  ASN  47           HB2      ASN  47  16.044  36.100  -8.384
  391    HB3  ASN  47           HB3      ASN  47  15.917  34.828  -9.613
  392   HD21  ASN  47          HD22      ASN  47  15.933  36.840 -11.032
  393   HD22  ASN  47          HD21      ASN  47  14.374  37.571 -11.368
  394    H    ALA  48           H        ALA  48  12.887  33.096  -6.735
  395    HA   ALA  48           HA       ALA  48  11.876  31.827  -9.244
  396    HB1  ALA  48           HB1      ALA  48  12.519  29.555  -8.474
  397    HB2  ALA  48           HB2      ALA  48  13.941  30.597  -8.666
  398    HB3  ALA  48           HB3      ALA  48  13.299  30.257  -7.046
  399    HA   PRO  49           HA       PRO  49   8.181  30.994  -6.772
  400    HB2  PRO  49           HB2      PRO  49   6.747  29.533  -8.527
  401    HB3  PRO  49           HB3      PRO  49   7.120  31.255  -8.860
  402    HG2  PRO  49           HG2      PRO  49   8.590  28.796  -9.893
  403    HG3  PRO  49           HG3      PRO  49   7.980  30.196 -10.833
  404    HD2  PRO  49           HD2      PRO  49  10.576  30.011  -9.934
  405    HD3  PRO  49           HD3      PRO  49   9.725  31.572 -10.102
  406    H    PHE  50           H        PHE  50   7.043  29.071  -5.948
  407    HA   PHE  50           HA       PHE  50   8.026  26.408  -6.226
  408    HB2  PHE  50           HB2      PHE  50   8.920  26.113  -3.911
  409    HB3  PHE  50           HB3      PHE  50   9.922  27.140  -4.915
  410    HD1  PHE  50           HD2      PHE  50  10.107  29.555  -4.538
  411    HD2  PHE  50           HD1      PHE  50   7.723  27.049  -1.963
  412    HE1  PHE  50           HE2      PHE  50   9.935  31.400  -2.905
  413    HE2  PHE  50           HE1      PHE  50   7.550  28.904  -0.325
  414    HZ   PHE  50           HZ       PHE  50   8.635  31.106  -0.819
  415    H    GLU  51           H        GLU  51   6.900  24.892  -4.810
  416    HA   GLU  51           HA       GLU  51   4.297  25.950  -3.763
  417    HB2  GLU  51           HB2      GLU  51   4.719  24.064  -5.796
  418    HB3  GLU  51           HB3      GLU  51   4.352  23.069  -4.394
  419    HG2  GLU  51           HG2      GLU  51   2.663  25.416  -5.361
  420    HG3  GLU  51           HG3      GLU  51   2.394  23.752  -5.850
  421    H    SER  52           H        SER  52   3.369  24.499  -1.964
  422    HA   SER  52           HA       SER  52   5.428  23.089  -0.351
  423    HB2  SER  52           HB2      SER  52   3.948  25.528   0.688
  424    HB3  SER  52           HB3      SER  52   4.920  24.410   1.671
  425    HG   SER  52           HG       SER  52   6.213  25.351  -0.583
  426    H    VAL  53           H        VAL  53   4.484  21.169  -0.174
  427    HA   VAL  53           HA       VAL  53   1.547  20.899   0.117
  428    HB   VAL  53           HB       VAL  53   3.755  18.838  -0.180
  429   HG11  VAL  53          HG11      VAL  53   0.722  18.466  -0.213
  430   HG12  VAL  53          HG12      VAL  53   1.915  17.211  -0.608
  431   HG13  VAL  53          HG13      VAL  53   1.832  17.858   1.032
  432   HG21  VAL  53          HG21      VAL  53   2.814  18.491  -2.459
  433   HG22  VAL  53          HG22      VAL  53   1.704  19.850  -2.197
  434   HG23  VAL  53          HG23      VAL  53   3.457  20.124  -2.253
  435    H    ASN  54           H        ASN  54   0.698  20.923   2.099
  436    HA   ASN  54           HA       ASN  54   2.377  20.525   4.469
  437    HB2  ASN  54           HB2      ASN  54  -0.550  21.276   4.274
  438    HB3  ASN  54           HB3      ASN  54   0.474  21.336   5.715
  439   HD21  ASN  54          HD22      ASN  54   2.725  22.665   5.184
  440   HD22  ASN  54          HD21      ASN  54   2.454  24.146   4.287
  441    H    ILE  55           H        ILE  55   2.866  18.458   4.831
  442    HA   ILE  55           HA       ILE  55   1.013  16.287   4.062
  443    HB   ILE  55           HB       ILE  55   2.908  14.799   4.596
  444   HG12  ILE  55          HG12      ILE  55   4.826  17.100   4.873
  445   HG13  ILE  55          HG13      ILE  55   3.930  16.643   6.309
  446   HG21  ILE  55          HG21      ILE  55   4.352  15.537   2.748
  447   HG22  ILE  55          HG22      ILE  55   2.640  15.764   2.348
  448   HG23  ILE  55          HG23      ILE  55   3.643  17.155   2.795
  449   HD11  ILE  55          HD11      ILE  55   4.732  14.326   6.134
  450   HD12  ILE  55          HD12      ILE  55   5.662  14.761   4.673
  451   HD13  ILE  55          HD13      ILE  55   6.057  15.493   6.252
  452    H    LEU  56           H        LEU  56   2.086  17.560   7.200
  453    HA   LEU  56           HA       LEU  56   1.713  15.172   8.634
  454    HB2  LEU  56           HB2      LEU  56   2.142  18.032   9.287
  455    HB3  LEU  56           HB3      LEU  56   1.280  17.162  10.534
  456    HG   LEU  56           HG       LEU  56   3.681  17.212  10.940
  457   HD11  LEU  56          HD11      LEU  56   2.773  14.359  10.379
  458   HD12  LEU  56          HD12      LEU  56   4.001  14.889  11.532
  459   HD13  LEU  56          HD13      LEU  56   2.303  15.319  11.797
  460   HD21  LEU  56          HD21      LEU  56   5.283  15.966   9.595
  461   HD22  LEU  56          HD22      LEU  56   4.016  15.455   8.466
  462   HD23  LEU  56          HD23      LEU  56   4.479  17.167   8.575
  463    H    GLU  57           H        GLU  57  -0.806  17.345   7.636
  464    HA   GLU  57           HA       GLU  57  -2.789  16.382   9.513
  465    HB2  GLU  57           HB2      GLU  57  -4.366  17.666   8.220
  466    HB3  GLU  57           HB3      GLU  57  -2.914  18.607   8.526
  467    HG2  GLU  57           HG2      GLU  57  -2.134  18.181   6.210
  468    HG3  GLU  57           HG3      GLU  57  -3.552  17.171   5.905
  469    H    ASN  58           H        ASN  58  -1.474  14.788   6.755
  470    HA   ASN  58           HA       ASN  58  -3.944  13.122   6.447
  471    HB2  ASN  58           HB2      ASN  58  -3.797  14.886   4.718
  472    HB3  ASN  58           HB3      ASN  58  -2.218  14.278   4.221
  473   HD21  ASN  58          HD22      ASN  58  -5.598  14.022   3.672
  474   HD22  ASN  58          HD21      ASN  58  -5.551  12.523   2.762
  475    H    GLU  59           H        GLU  59  -3.577  11.046   6.848
  476    HA   GLU  59           HA       GLU  59  -0.948   9.955   7.191
  477    HB2  GLU  59           HB2      GLU  59  -3.672   8.612   7.056
  478    HB3  GLU  59           HB3      GLU  59  -2.166   7.801   7.516
  479    HG2  GLU  59           HG2      GLU  59  -1.867   9.394   9.395
  480    HG3  GLU  59           HG3      GLU  59  -3.396  10.172   8.987
  481    H    LEU  60           H        LEU  60  -3.154   9.804   4.386
  482    HA   LEU  60           HA       LEU  60  -1.750   7.698   3.043
  483    HB2  LEU  60           HB2      LEU  60  -4.104   8.313   2.685
  484    HB3  LEU  60           HB3      LEU  60  -3.632   9.850   1.989
  485    HG   LEU  60           HG       LEU  60  -4.391   8.019   0.435
  486   HD11  LEU  60          HD11      LEU  60  -1.652   9.157  -0.229
  487   HD12  LEU  60          HD12      LEU  60  -2.877   8.578  -1.361
  488   HD13  LEU  60          HD13      LEU  60  -3.206  10.011  -0.379
  489   HD21  LEU  60          HD21      LEU  60  -2.870   6.283  -0.285
  490   HD22  LEU  60          HD22      LEU  60  -1.623   6.828   0.847
  491   HD23  LEU  60          HD23      LEU  60  -3.140   6.129   1.462
  492    H    LEU  61           H        LEU  61  -1.524  11.275   2.869
  493    HA   LEU  61           HA       LEU  61   0.698  11.337   1.010
  494    HB2  LEU  61           HB2      LEU  61  -0.501  13.271   3.013
  495    HB3  LEU  61           HB3      LEU  61   1.115  13.583   2.406
  496    HG   LEU  61           HG       LEU  61   0.308  13.532   0.072
  497   HD11  LEU  61          HD11      LEU  61  -1.739  12.135   0.318
  498   HD12  LEU  61          HD12      LEU  61  -2.494  13.429   1.274
  499   HD13  LEU  61          HD13      LEU  61  -2.093  13.694  -0.431
  500   HD21  LEU  61          HD21      LEU  61  -1.150  15.503   1.897
  501   HD22  LEU  61          HD22      LEU  61   0.519  15.655   1.316
  502   HD23  LEU  61          HD23      LEU  61  -0.819  15.732   0.166
  503    H    ARG  62           H        ARG  62   0.670  11.374   4.624
  504    HA   ARG  62           HA       ARG  62   3.443  11.466   5.021
  505    HB2  ARG  62           HB2      ARG  62   1.245  10.151   6.642
  506    HB3  ARG  62           HB3      ARG  62   2.914  10.224   7.210
  507    HG2  ARG  62           HG2      ARG  62   2.932  12.591   7.342
  508    HG3  ARG  62           HG3      ARG  62   1.510  12.750   6.323
  509    HD2  ARG  62           HD2      ARG  62   0.825  13.252   8.529
  510    HD3  ARG  62           HD3      ARG  62   0.116  11.697   8.127
  511    HE   ARG  62           HE       ARG  62   2.448  10.974   9.380
  512   HH11  ARG  62          HH11      ARG  62  -0.091  13.240  10.452
  513   HH12  ARG  62          HH12      ARG  62   0.054  12.720  12.102
  514   HH21  ARG  62          HH21      ARG  62   2.605  10.434  11.550
  515   HH22  ARG  62          HH22      ARG  62   1.592  11.213  12.719
  516    H    GLN  63           H        GLN  63   1.484   8.463   4.575
  517    HA   GLN  63           HA       GLN  63   3.909   6.802   4.694
  518    HB2  GLN  63           HB2      GLN  63   2.484   4.944   4.527
  519    HB3  GLN  63           HB3      GLN  63   1.657   6.118   5.543
  520    HG2  GLN  63           HG2      GLN  63   0.383   6.801   3.366
  521    HG3  GLN  63           HG3      GLN  63   1.034   5.322   2.669
  522   HE21  GLN  63          HE22      GLN  63  -0.928   6.610   5.382
  523   HE22  GLN  63          HE21      GLN  63  -1.866   5.128   5.616
  524    H    GLY  64           H        GLY  64   1.936   8.181   2.062
  525    HA2  GLY  64           HA2      GLY  64   3.022   6.463   0.001
  526    HA3  GLY  64           HA3      GLY  64   1.973   7.894  -0.193
  527    H    LEU  65           H        LEU  65   3.691   9.866   0.986
  528    HA   LEU  65           HA       LEU  65   5.345  10.428  -1.305
  529    HB2  LEU  65           HB2      LEU  65   5.089  11.731   1.431
  530    HB3  LEU  65           HB3      LEU  65   6.097  12.389   0.143
  531    HG   LEU  65           HG       LEU  65   3.113  11.894  -0.242
  532   HD11  LEU  65          HD11      LEU  65   3.441  13.478   1.592
  533   HD12  LEU  65          HD12      LEU  65   4.581  14.416   0.607
  534   HD13  LEU  65          HD13      LEU  65   2.862  14.328   0.147
  535   HD21  LEU  65          HD21      LEU  65   4.341  12.074  -2.361
  536   HD22  LEU  65          HD22      LEU  65   3.433  13.560  -2.071
  537   HD23  LEU  65          HD23      LEU  65   5.178  13.532  -1.786
  538    H    LYS  66           H        LYS  66   6.086   8.881   1.766
  539    HA   LYS  66           HA       LYS  66   8.943   8.906   1.565
  540    HB2  LYS  66           HB2      LYS  66   7.586   8.258   3.551
  541    HB3  LYS  66           HB3      LYS  66   7.062   6.786   2.714
  542    HG2  LYS  66           HG2      LYS  66   9.386   5.958   2.664
  543    HG3  LYS  66           HG3      LYS  66   9.969   7.497   3.295
  544    HD2  LYS  66           HD2      LYS  66   9.958   5.893   5.102
  545    HD3  LYS  66           HD3      LYS  66   8.763   7.139   5.410
  546    HE2  LYS  66           HE2      LYS  66   7.765   5.079   6.047
  547    HE3  LYS  66           HE3      LYS  66   6.968   5.571   4.548
  548    HZ1  LYS  66           HZ1      LYS  66   7.575   3.203   4.563
  549    HZ2  LYS  66           HZ2      LYS  66   8.391   3.961   3.366
  550    HZ3  LYS  66           HZ3      LYS  66   9.156   3.557   4.760
  551    H    GLU  67           H        GLU  67   6.503   6.787   0.014
  552    HA   GLU  67           HA       GLU  67   8.491   5.125  -1.336
  553    HB2  GLU  67           HB2      GLU  67   6.144   4.411  -0.693
  554    HB3  GLU  67           HB3      GLU  67   5.536   5.474  -1.956
  555    HG2  GLU  67           HG2      GLU  67   5.602   3.219  -2.798
  556    HG3  GLU  67           HG3      GLU  67   6.802   4.171  -3.661
  557    H    TYR  68           H        TYR  68   6.328   7.843  -2.320
  558    HA   TYR  68           HA       TYR  68   7.031   7.974  -5.031
  559    HB2  TYR  68           HB2      TYR  68   5.143   9.126  -3.787
  560    HB3  TYR  68           HB3      TYR  68   6.318  10.305  -3.218
  561    HD1  TYR  68           HD1      TYR  68   4.414   9.073  -6.125
  562    HD2  TYR  68           HD2      TYR  68   7.212  12.044  -4.719
  563    HE1  TYR  68           HE1      TYR  68   3.966  10.460  -8.146
  564    HE2  TYR  68           HE2      TYR  68   6.762  13.423  -6.727
  565    HH   TYR  68           HH       TYR  68   5.582  13.599  -8.707
  566    H    SER  69           H        SER  69   8.589   9.617  -2.284
  567    HA   SER  69           HA       SER  69  10.626  10.853  -4.082
  568    HB2  SER  69           HB2      SER  69  11.156  12.282  -2.221
  569    HB3  SER  69           HB3      SER  69   9.409  12.296  -2.494
  570    HG   SER  69           HG       SER  69   9.155  10.923  -0.689
  571    H    SER  70           H        SER  70  10.483   8.187  -1.845
  572    HA   SER  70           HA       SER  70  11.994   6.701  -1.052
  573    HB2  SER  70           HB2      SER  70  14.116   7.989  -2.806
  574    HB3  SER  70           HB3      SER  70  14.195   6.427  -2.000
  575    HG   SER  70           HG       SER  70  12.281   7.151  -3.973
  576    H    TRP  71           H        TRP  71  12.091   9.895  -0.246
  577    HA   TRP  71           HA       TRP  71  14.549  10.105   1.179
  578    HB2  TRP  71           HB2      TRP  71  13.250  11.973   0.259
  579    HB3  TRP  71           HB3      TRP  71  11.953  11.624   1.404
  580    HD1  TRP  71           HD1      TRP  71  11.988  12.997   3.535
  581    HE1  TRP  71           HE1      TRP  71  13.690  14.399   4.836
  582    HE3  TRP  71           HE3      TRP  71  16.178  11.988   0.761
  583    HZ2  TRP  71           HZ2      TRP  71  16.489  15.036   4.690
  584    HZ3  TRP  71           HZ3      TRP  71  18.373  12.933   1.434
  585    HH2  TRP  71           HH2      TRP  71  18.542  14.461   3.384
  586    HA   PRO  72           HA       PRO  72  13.507   7.878   4.890
  587    HB2  PRO  72           HB2      PRO  72  15.399   9.740   6.326
  588    HB3  PRO  72           HB3      PRO  72  15.311   7.954   6.352
  589    HG2  PRO  72           HG2      PRO  72  17.181   9.211   4.854
  590    HG3  PRO  72           HG3      PRO  72  16.292   7.800   4.185
  591    HD2  PRO  72           HD2      PRO  72  15.756  10.748   3.731
  592    HD3  PRO  72           HD3      PRO  72  15.873   9.418   2.539
  593    H    THR  73           H        THR  73  13.849  11.398   5.771
  594    HA   THR  73           HA       THR  73  11.249  11.311   7.226
  595    HB   THR  73           HB       THR  73  12.314  12.287   9.241
  596    HG1  THR  73           HG1      THR  73  14.207  12.883   7.991
  597   HG21  THR  73          HG21      THR  73  13.518   9.561   8.608
  598   HG22  THR  73          HG22      THR  73  13.202  10.263  10.204
  599   HG23  THR  73          HG23      THR  73  11.843   9.830   9.154
  600    H    PHE  74           H        PHE  74  10.129  13.051   6.788
  601    HA   PHE  74           HA       PHE  74  11.100  15.358   5.450
  602    HB2  PHE  74           HB2      PHE  74   8.520  14.889   6.992
  603    HB3  PHE  74           HB3      PHE  74   8.789  16.216   5.876
  604    HD1  PHE  74           HD1      PHE  74   9.003  15.830   3.439
  605    HD2  PHE  74           HD2      PHE  74   8.085  12.611   6.158
  606    HE1  PHE  74           HE1      PHE  74   8.308  14.397   1.523
  607    HE2  PHE  74           HE2      PHE  74   7.442  11.173   4.240
  608    HZ   PHE  74           HZ       PHE  74   7.572  12.059   1.923
  609    HA   PRO  75           HA       PRO  75   9.991  18.101   5.740
  610    HB2  PRO  75           HB2      PRO  75  12.511  19.708   6.198
  611    HB3  PRO  75           HB3      PRO  75  10.885  20.295   5.738
  612    HG2  PRO  75           HG2      PRO  75  11.689  20.483   8.305
  613    HG3  PRO  75           HG3      PRO  75  10.045  19.835   7.964
  614    HD2  PRO  75           HD2      PRO  75  12.601  18.294   8.532
  615    HD3  PRO  75           HD3      PRO  75  10.973  18.072   9.240
  616    H    GLN  76           H        GLN  76  10.547  18.502   3.528
  617    HA   GLN  76           HA       GLN  76  13.179  17.631   2.510
  618    HB2  GLN  76           HB2      GLN  76  11.645  15.590   2.726
  619    HB3  GLN  76           HB3      GLN  76  10.573  16.380   1.577
  620    HG2  GLN  76           HG2      GLN  76  12.784  16.423   0.048
  621    HG3  GLN  76           HG3      GLN  76  13.282  15.130   1.120
  622   HE21  GLN  76          HE22      GLN  76  10.820  13.720   1.517
  623   HE22  GLN  76          HE21      GLN  76  10.389  13.072  -0.057
  624    H    LEU  77           H        LEU  77  13.661  18.488   0.508
  625    HA   LEU  77           HA       LEU  77  11.617  20.133  -0.920
  626    HB2  LEU  77           HB2      LEU  77  13.456  21.423   0.114
  627    HB3  LEU  77           HB3      LEU  77  14.650  20.502  -0.784
  628    HG   LEU  77           HG       LEU  77  12.461  21.918  -2.343
  629   HD11  LEU  77          HD11      LEU  77  14.857  23.250  -1.053
  630   HD12  LEU  77          HD12      LEU  77  13.901  23.981  -2.351
  631   HD13  LEU  77          HD13      LEU  77  13.143  23.639  -0.786
  632   HD21  LEU  77          HD21      LEU  77  14.163  20.571  -3.583
  633   HD22  LEU  77          HD22      LEU  77  14.325  22.292  -3.952
  634   HD23  LEU  77          HD23      LEU  77  15.458  21.531  -2.831
  635    H    TYR  78           H        TYR  78  11.351  19.742  -3.045
  636    HA   TYR  78           HA       TYR  78  12.867  17.578  -4.436
  637    HB2  TYR  78           HB2      TYR  78  10.808  16.783  -3.193
  638    HB3  TYR  78           HB3      TYR  78   9.848  17.873  -4.159
  639    HD1  TYR  78           HD2      TYR  78   9.728  17.466  -6.729
  640    HD2  TYR  78           HD1      TYR  78  11.206  14.590  -3.879
  641    HE1  TYR  78           HE2      TYR  78   9.218  15.626  -8.315
  642    HE2  TYR  78           HE1      TYR  78  10.702  12.747  -5.468
  643    HH   TYR  78           HH       TYR  78   9.170  13.325  -8.645
  644    H    ILE  79           H        ILE  79  12.909  17.810  -6.742
  645    HA   ILE  79           HA       ILE  79  11.709  20.313  -7.843
  646    HB   ILE  79           HB       ILE  79  14.626  19.663  -8.350
  647   HG12  ILE  79          HG12      ILE  79  13.571  21.580  -6.237
  648   HG13  ILE  79          HG13      ILE  79  14.506  20.111  -5.954
  649   HG21  ILE  79          HG21      ILE  79  12.950  22.193  -8.704
  650   HG22  ILE  79          HG22      ILE  79  14.643  21.988  -9.207
  651   HG23  ILE  79          HG23      ILE  79  13.379  21.066  -9.997
  652   HD11  ILE  79          HD11      ILE  79  15.523  22.661  -7.238
  653   HD12  ILE  79          HD12      ILE  79  16.016  21.923  -5.711
  654   HD13  ILE  79          HD13      ILE  79  16.419  21.120  -7.241
  655    H    ASP  80           H        ASP  80  10.838  20.017  -9.729
  656    HA   ASP  80           HA       ASP  80  10.181  19.325 -11.735
  657    HB2  ASP  80           HB2      ASP  80  12.470  20.243 -12.085
  658    HB3  ASP  80           HB3      ASP  80  13.105  18.599 -12.113
  659    H    GLY  81           H        GLY  81  11.522  16.762  -9.906
  660    HA2  GLY  81           HA2      GLY  81   9.938  14.617 -10.582
  661    HA3  GLY  81           HA3      GLY  81  11.135  14.644 -11.874
  662    H    GLU  82           H        GLU  82  12.678  15.788  -9.041
  663    HA   GLU  82           HA       GLU  82  13.204  13.119  -7.892
  664    HB2  GLU  82           HB2      GLU  82  14.799  13.491  -9.818
  665    HB3  GLU  82           HB3      GLU  82  15.448  14.884  -8.948
  666    HG2  GLU  82           HG2      GLU  82  16.229  13.424  -7.142
  667    HG3  GLU  82           HG3      GLU  82  15.379  12.044  -7.844
  668    H    PHE  83           H        PHE  83  14.161  13.184  -5.779
  669    HA   PHE  83           HA       PHE  83  13.495  15.570  -4.269
  670    HB2  PHE  83           HB2      PHE  83  13.877  14.357  -2.357
  671    HB3  PHE  83           HB3      PHE  83  13.204  13.176  -3.458
  672    HD1  PHE  83           HD2      PHE  83  14.796  11.452  -4.525
  673    HD2  PHE  83           HD1      PHE  83  16.027  14.153  -1.398
  674    HE1  PHE  83           HE2      PHE  83  16.787  10.037  -4.080
  675    HE2  PHE  83           HE1      PHE  83  18.010  12.753  -0.962
  676    HZ   PHE  83           HZ       PHE  83  18.402  10.683  -2.305
  677    H    PHE  84           H        PHE  84  14.863  16.924  -3.114
  678    HA   PHE  84           HA       PHE  84  17.662  17.148  -4.135
  679    HB2  PHE  84           HB2      PHE  84  15.963  19.025  -4.333
  680    HB3  PHE  84           HB3      PHE  84  15.991  19.148  -2.578
  681    HD1  PHE  84           HD2      PHE  84  17.894  19.641  -5.707
  682    HD2  PHE  84           HD1      PHE  84  17.959  20.098  -1.415
  683    HE1  PHE  84           HE2      PHE  84  19.887  21.112  -5.885
  684    HE2  PHE  84           HE1      PHE  84  19.958  21.541  -1.610
  685    HZ   PHE  84           HZ       PHE  84  20.918  22.066  -3.848
  686    H    GLY  85           H        GLY  85  15.748  17.035  -1.118
  687    HA2  GLY  85           HA2      GLY  85  16.920  15.502   0.620
  688    HA3  GLY  85           HA3      GLY  85  18.212  16.699   0.549
  689    H    GLY  86           H        GLY  86  17.884  17.107   2.781
  690    HA2  GLY  86           HA2      GLY  86  15.338  18.124   3.820
  691    HA3  GLY  86           HA3      GLY  86  16.866  17.956   4.705
  692    H    CYS  87           H        CYS  87  15.432  20.105   5.276
  693    HA   CYS  87           HA       CYS  87  15.890  22.374   3.590
  694    HB2  CYS  87           HB2      CYS  87  15.090  22.137   6.535
  695    HB3  CYS  87           HB3      CYS  87  15.115  23.666   5.620
  696    HG   CYS  87           HG       CYS  87  12.631  22.643   5.853
  697    H    ASP  88           H        ASP  88  17.652  21.369   6.588
  698    HA   ASP  88           HA       ASP  88  19.562  23.484   6.538
  699    HB2  ASP  88           HB2      ASP  88  19.253  22.022   8.459
  700    HB3  ASP  88           HB3      ASP  88  19.771  20.616   7.526
  701    H    ILE  89           H        ILE  89  19.620  20.297   4.925
  702    HA   ILE  89           HA       ILE  89  22.164  20.572   3.595
  703    HB   ILE  89           HB       ILE  89  19.650  19.023   2.835
  704   HG12  ILE  89          HG12      ILE  89  22.304  18.075   4.025
  705   HG13  ILE  89          HG13      ILE  89  20.871  18.414   4.989
  706   HG21  ILE  89          HG21      ILE  89  20.956  19.410   0.783
  707   HG22  ILE  89          HG22      ILE  89  22.429  18.842   1.597
  708   HG23  ILE  89          HG23      ILE  89  21.081  17.732   1.267
  709   HD11  ILE  89          HD11      ILE  89  21.123  16.212   2.899
  710   HD12  ILE  89          HD12      ILE  89  21.011  16.044   4.656
  711   HD13  ILE  89          HD13      ILE  89  19.617  16.647   3.755
  712    H    THR  90           H        THR  90  18.899  21.666   2.636
  713    HA   THR  90           HA       THR  90  19.685  22.843   0.124
  714    HB   THR  90           HB       THR  90  17.347  23.578   1.916
  715    HG1  THR  90           HG1      THR  90  17.271  21.415   1.277
  716   HG21  THR  90          HG21      THR  90  17.803  24.029  -1.063
  717   HG22  THR  90          HG22      THR  90  16.351  24.459  -0.136
  718   HG23  THR  90          HG23      THR  90  17.849  25.312   0.172
  719    H    VAL  91           H        VAL  91  19.409  24.290   3.395
  720    HA   VAL  91           HA       VAL  91  20.228  26.909   2.644
  721    HB   VAL  91           HB       VAL  91  20.706  25.463   5.279
  722   HG11  VAL  91          HG11      VAL  91  20.970  27.745   6.261
  723   HG12  VAL  91          HG12      VAL  91  22.287  27.331   5.165
  724   HG13  VAL  91          HG13      VAL  91  20.998  28.429   4.620
  725   HG21  VAL  91          HG21      VAL  91  18.307  25.792   4.714
  726   HG22  VAL  91          HG22      VAL  91  18.787  26.801   6.074
  727   HG23  VAL  91          HG23      VAL  91  18.602  27.515   4.455
  728    H    GLU  92           H        GLU  92  22.290  24.088   3.552
  729    HA   GLU  92           HA       GLU  92  24.794  25.479   3.155
  730    HB2  GLU  92           HB2      GLU  92  24.057  22.529   3.184
  731    HB3  GLU  92           HB3      GLU  92  25.713  23.116   3.044
  732    HG2  GLU  92           HG2      GLU  92  23.869  23.742   5.396
  733    HG3  GLU  92           HG3      GLU  92  25.062  22.450   5.359
  734    H    ALA  93           H        ALA  93  22.769  23.499   0.934
  735    HA   ALA  93           HA       ALA  93  24.598  23.479  -1.251
  736    HB1  ALA  93           HB1      ALA  93  22.605  22.826  -2.542
  737    HB2  ALA  93           HB2      ALA  93  22.658  21.960  -1.002
  738    HB3  ALA  93           HB3      ALA  93  21.548  23.337  -1.217
  739    H    TYR  94           H        TYR  94  22.027  25.846  -0.391
  740    HA   TYR  94           HA       TYR  94  22.376  27.575  -2.668
  741    HB2  TYR  94           HB2      TYR  94  20.427  27.653  -1.208
  742    HB3  TYR  94           HB3      TYR  94  21.424  28.056   0.177
  743    HD1  TYR  94           HD1      TYR  94  20.502  29.348  -3.247
  744    HD2  TYR  94           HD2      TYR  94  21.763  30.317   0.766
  745    HE1  TYR  94           HE1      TYR  94  20.168  31.763  -3.722
  746    HE2  TYR  94           HE2      TYR  94  21.433  32.730   0.284
  747    HH   TYR  94           HH       TYR  94  20.282  33.896  -2.902
  748    H    LYS  95           H        LYS  95  23.943  27.562   0.564
  749    HA   LYS  95           HA       LYS  95  25.674  29.836   0.056
  750    HB2  LYS  95           HB2      LYS  95  25.748  27.509   2.028
  751    HB3  LYS  95           HB3      LYS  95  26.941  28.812   2.028
  752    HG2  LYS  95           HG2      LYS  95  25.258  30.490   2.461
  753    HG3  LYS  95           HG3      LYS  95  23.947  29.311   2.305
  754    HD2  LYS  95           HD2      LYS  95  24.820  28.052   4.246
  755    HD3  LYS  95           HD3      LYS  95  26.130  29.214   4.443
  756    HE2  LYS  95           HE2      LYS  95  23.150  29.915   4.578
  757    HE3  LYS  95           HE3      LYS  95  24.135  29.510   5.986
  758    HZ1  LYS  95           HZ1      LYS  95  25.557  31.419   5.486
  759    HZ2  LYS  95           HZ2      LYS  95  24.626  31.835   4.200
  760    HZ3  LYS  95           HZ3      LYS  95  24.015  31.900   5.713
  761    H    SER  96           H        SER  96  25.964  26.400  -0.693
  762    HA   SER  96           HA       SER  96  28.752  26.623  -1.616
  763    HB2  SER  96           HB2      SER  96  26.753  24.356  -1.930
  764    HB3  SER  96           HB3      SER  96  28.511  24.274  -2.150
  765    HG   SER  96           HG       SER  96  27.029  24.691   0.240
  766    H    GLY  97           H        GLY  97  25.697  27.281  -3.085
  767    HA2  GLY  97           HA2      GLY  97  25.334  28.204  -5.212
  768    HA3  GLY  97           HA3      GLY  97  26.928  27.630  -5.760
  769    H    GLU  98           H        GLU  98  25.396  25.077  -4.251
  770    HA   GLU  98           HA       GLU  98  25.099  23.636  -6.765
  771    HB2  GLU  98           HB2      GLU  98  24.426  22.792  -3.915
  772    HB3  GLU  98           HB3      GLU  98  24.529  21.735  -5.327
  773    HG2  GLU  98           HG2      GLU  98  26.952  22.426  -5.577
  774    HG3  GLU  98           HG3      GLU  98  26.804  23.307  -4.051
  775    H    LEU  99           H        LEU  99  22.810  24.969  -4.317
  776    HA   LEU  99           HA       LEU  99  20.442  23.924  -5.578
  777    HB2  LEU  99           HB2      LEU  99  20.530  24.843  -3.240
  778    HB3  LEU  99           HB3      LEU  99  20.792  26.457  -3.905
  779    HG   LEU  99           HG       LEU  99  18.539  26.292  -5.052
  780   HD11  LEU  99          HD11      LEU  99  18.262  23.763  -3.360
  781   HD12  LEU  99          HD12      LEU  99  16.941  24.583  -4.216
  782   HD13  LEU  99          HD13      LEU  99  18.253  23.841  -5.132
  783   HD21  LEU  99          HD21      LEU  99  18.760  27.528  -3.007
  784   HD22  LEU  99          HD22      LEU  99  17.252  26.607  -2.933
  785   HD23  LEU  99          HD23      LEU  99  18.679  26.050  -2.028
  786    H    GLN 100           H        GLN 100  22.169  27.048  -6.004
  787    HA   GLN 100           HA       GLN 100  20.460  28.188  -7.980
  788    HB2  GLN 100           HB2      GLN 100  22.210  29.438  -6.809
  789    HB3  GLN 100           HB3      GLN 100  23.467  28.437  -7.535
  790    HG2  GLN 100           HG2      GLN 100  22.917  29.305  -9.779
  791    HG3  GLN 100           HG3      GLN 100  21.608  30.278  -9.101
  792   HE21  GLN 100          HE22      GLN 100  22.337  31.953  -7.350
  793   HE22  GLN 100          HE21      GLN 100  23.916  32.675  -7.606
  794    H    GLU 101           H        GLU 101  23.376  26.097  -8.442
  795    HA   GLU 101           HA       GLU 101  23.202  25.937 -11.248
  796    HB2  GLU 101           HB2      GLU 101  25.152  25.278  -9.863
  797    HB3  GLU 101           HB3      GLU 101  24.264  23.859  -9.290
  798    HG2  GLU 101           HG2      GLU 101  24.169  22.960 -11.577
  799    HG3  GLU 101           HG3      GLU 101  24.901  24.435 -12.217
  800    H    GLN 102           H        GLN 102  21.788  23.639  -8.799
  801    HA   GLN 102           HA       GLN 102  20.577  22.011 -10.816
  802    HB2  GLN 102           HB2      GLN 102  20.069  22.299  -7.841
  803    HB3  GLN 102           HB3      GLN 102  19.256  21.098  -8.845
  804    HG2  GLN 102           HG2      GLN 102  22.293  21.273  -8.555
  805    HG3  GLN 102           HG3      GLN 102  21.260  20.204  -7.618
  806   HE21  GLN 102          HE22      GLN 102  20.101  18.426  -8.771
  807   HE22  GLN 102          HE21      GLN 102  20.728  17.895 -10.321
  808    H    VAL 103           H        VAL 103  19.213  24.776  -8.945
  809    HA   VAL 103           HA       VAL 103  16.545  24.454  -9.997
  810    HB   VAL 103           HB       VAL 103  17.988  26.848  -8.816
  811   HG11  VAL 103          HG11      VAL 103  15.734  27.924  -8.598
  812   HG12  VAL 103          HG12      VAL 103  16.283  27.814 -10.273
  813   HG13  VAL 103          HG13      VAL 103  15.059  26.673  -9.662
  814   HG21  VAL 103          HG21      VAL 103  15.689  25.118  -7.758
  815   HG22  VAL 103          HG22      VAL 103  17.380  24.910  -7.290
  816   HG23  VAL 103          HG23      VAL 103  16.536  26.409  -6.875
  817    H    GLU 104           H        GLU 104  19.407  26.336 -11.186
  818    HA   GLU 104           HA       GLU 104  18.100  27.411 -13.480
  819    HB2  GLU 104           HB2      GLU 104  20.287  28.188 -12.615
  820    HB3  GLU 104           HB3      GLU 104  21.028  26.660 -13.110
  821    HG2  GLU 104           HG2      GLU 104  20.492  27.153 -15.475
  822    HG3  GLU 104           HG3      GLU 104  19.630  28.621 -14.988
  823    H    LYS 105           H        LYS 105  19.960  24.303 -13.042
  824    HA   LYS 105           HA       LYS 105  19.540  23.409 -15.707
  825    HB2  LYS 105           HB2      LYS 105  21.158  22.511 -13.893
  826    HB3  LYS 105           HB3      LYS 105  19.784  21.541 -13.322
  827    HG2  LYS 105           HG2      LYS 105  19.566  20.634 -15.687
  828    HG3  LYS 105           HG3      LYS 105  21.014  21.564 -16.121
  829    HD2  LYS 105           HD2      LYS 105  22.245  20.290 -14.292
  830    HD3  LYS 105           HD3      LYS 105  20.827  19.238 -14.158
  831    HE2  LYS 105           HE2      LYS 105  22.566  19.692 -16.632
  832    HE3  LYS 105           HE3      LYS 105  22.556  18.253 -15.609
  833    HZ1  LYS 105           HZ1      LYS 105  21.253  17.845 -17.563
  834    HZ2  LYS 105           HZ2      LYS 105  20.207  17.910 -16.305
  835    HZ3  LYS 105           HZ3      LYS 105  20.328  19.171 -17.363
  836    H    ALA 106           H        ALA 106  17.417  23.014 -12.828
  837    HA   ALA 106           HA       ALA 106  15.474  21.331 -14.083
  838    HB1  ALA 106           HB1      ALA 106  15.631  21.713 -11.645
  839    HB2  ALA 106           HB2      ALA 106  15.144  23.412 -11.861
  840    HB3  ALA 106           HB3      ALA 106  14.011  22.103 -12.248
  841    H    MET 107           H        MET 107  15.922  24.855 -14.265
  842    HA   MET 107           HA       MET 107  13.374  25.284 -15.704
  843    HB2  MET 107           HB2      MET 107  15.680  27.110 -14.913
  844    HB3  MET 107           HB3      MET 107  14.254  27.647 -15.810
  845    HG2  MET 107           HG2      MET 107  12.774  26.947 -13.986
  846    HG3  MET 107           HG3      MET 107  14.151  26.312 -13.074
  847    HE1  MET 107           HE1      MET 107  12.994  29.395 -10.969
  848    HE2  MET 107           HE2      MET 107  11.935  28.358 -11.944
  849    HE3  MET 107           HE3      MET 107  13.254  27.634 -10.991
  850    H    CYS 108           H        CYS 108  16.860  25.496 -16.551
  851    HA   CYS 108           HA       CYS 108  16.221  26.075 -19.361
  852    HB2  CYS 108           HB2      CYS 108  18.839  25.860 -17.798
  853    HB3  CYS 108           HB3      CYS 108  18.692  26.438 -19.463
  854    HG   CYS 108           HG       CYS 108  17.032  28.426 -18.923
  855    H    SER 109           H        SER 109  17.083  23.258 -17.605
  856    HA   SER 109           HA       SER 109  17.054  21.060 -18.205
  857    HB2  SER 109           HB2      SER 109  16.122  21.510 -20.503
  858    HB3  SER 109           HB3      SER 109  17.803  21.734 -21.069
  859    HG   SER 109           HG       SER 109  18.116  19.687 -19.787
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  -1.655  -1.357  -9.583
    2    H2   MET   1           H2       MET   1  -1.680  -2.215  -8.193
    3    H3   MET   1           H3       MET   1  -2.707  -0.955  -8.389
    4    HA   MET   1           HA       MET   1   0.237  -0.752  -8.213
    5    HB2  MET   1           HB2      MET   1  -1.849   1.474  -8.414
    6    HB3  MET   1           HB3      MET   1  -0.155   1.709  -7.996
    7    HG2  MET   1           HG2      MET   1  -0.282   2.289 -10.221
    8    HG3  MET   1           HG3      MET   1   0.479   0.706 -10.221
    9    HE1  MET   1           HE1      MET   1  -1.474   0.899 -13.647
   10    HE2  MET   1           HE2      MET   1  -0.684   2.242 -12.791
   11    HE3  MET   1           HE3      MET   1   0.105   0.650 -12.863
   12    H    ALA   2           H        ALA   2   1.105  -0.022  -6.208
   13    HA   ALA   2           HA       ALA   2  -0.385  -0.791  -3.838
   14    HB1  ALA   2           HB1      ALA   2   2.044  -1.131  -4.095
   15    HB2  ALA   2           HB2      ALA   2   2.297   0.632  -4.177
   16    HB3  ALA   2           HB3      ALA   2   1.686  -0.117  -2.684
   17    H    LEU   3           H        LEU   3   0.591   2.342  -5.217
   18    HA   LEU   3           HA       LEU   3  -1.154   3.855  -3.310
   19    HB2  LEU   3           HB2      LEU   3   0.830   4.833  -5.417
   20    HB3  LEU   3           HB3      LEU   3  -0.044   5.843  -4.277
   21    HG   LEU   3           HG       LEU   3   2.094   3.788  -3.548
   22   HD11  LEU   3          HD11      LEU   3   2.973   5.778  -4.704
   23   HD12  LEU   3          HD12      LEU   3   2.143   6.835  -3.546
   24   HD13  LEU   3          HD13      LEU   3   3.453   5.764  -2.998
   25   HD21  LEU   3          HD21      LEU   3   0.560   5.741  -1.771
   26   HD22  LEU   3          HD22      LEU   3   0.456   3.967  -1.722
   27   HD23  LEU   3          HD23      LEU   3   1.962   4.762  -1.275
   28    H    THR   4           H        THR   4  -2.472   5.639  -4.406
   29    HA   THR   4           HA       THR   4  -4.055   4.513  -6.579
   30    HB   THR   4           HB       THR   4  -5.330   6.638  -6.479
   31    HG1  THR   4           HG1      THR   4  -4.770   7.979  -4.637
   32   HG21  THR   4          HG21      THR   4  -5.902   4.704  -4.999
   33   HG22  THR   4          HG22      THR   4  -4.877   5.398  -3.726
   34   HG23  THR   4          HG23      THR   4  -6.317   6.270  -4.285
   35    HA   PRO   5           HA       PRO   5  -1.702   6.385  -9.957
   36    HB2  PRO   5           HB2      PRO   5  -4.435   6.629 -11.223
   37    HB3  PRO   5           HB3      PRO   5  -2.909   6.018 -11.936
   38    HG2  PRO   5           HG2      PRO   5  -4.806   4.268 -11.126
   39    HG3  PRO   5           HG3      PRO   5  -3.084   3.951 -10.748
   40    HD2  PRO   5           HD2      PRO   5  -5.211   5.129  -8.946
   41    HD3  PRO   5           HD3      PRO   5  -3.998   3.858  -8.597
   42    H    ALA   6           H        ALA   6  -4.753   7.846  -8.763
   43    HA   ALA   6           HA       ALA   6  -4.444  10.456  -9.773
   44    HB1  ALA   6           HB1      ALA   6  -5.779   9.479  -7.204
   45    HB2  ALA   6           HB2      ALA   6  -6.077  11.034  -8.008
   46    HB3  ALA   6           HB3      ALA   6  -6.521   9.525  -8.820
   47    H    LEU   7           H        LEU   7  -3.068   9.065  -6.755
   48    HA   LEU   7           HA       LEU   7  -2.029  11.509  -5.669
   49    HB2  LEU   7           HB2      LEU   7  -2.335   9.451  -4.412
   50    HB3  LEU   7           HB3      LEU   7  -1.145   8.596  -5.375
   51    HG   LEU   7           HG       LEU   7  -0.432  11.031  -3.684
   52   HD11  LEU   7          HD11      LEU   7  -1.478   9.331  -2.237
   53   HD12  LEU   7          HD12      LEU   7  -0.396   8.083  -2.892
   54   HD13  LEU   7          HD13      LEU   7   0.266   9.419  -1.930
   55   HD21  LEU   7          HD21      LEU   7   1.841   9.908  -3.631
   56   HD22  LEU   7          HD22      LEU   7   1.240   8.732  -4.820
   57   HD23  LEU   7          HD23      LEU   7   1.378  10.446  -5.239
   58    H    LYS   8           H        LYS   8  -0.365   8.962  -7.609
   59    HA   LYS   8           HA       LYS   8   2.045  10.444  -7.897
   60    HB2  LYS   8           HB2      LYS   8   1.746   7.987  -8.201
   61    HB3  LYS   8           HB3      LYS   8   0.935   8.280  -9.751
   62    HG2  LYS   8           HG2      LYS   8   2.971   9.343 -10.643
   63    HG3  LYS   8           HG3      LYS   8   3.744   9.240  -9.052
   64    HD2  LYS   8           HD2      LYS   8   3.683   6.785  -9.145
   65    HD3  LYS   8           HD3      LYS   8   2.929   6.836 -10.746
   66    HE2  LYS   8           HE2      LYS   8   5.623   8.150 -10.099
   67    HE3  LYS   8           HE3      LYS   8   5.484   6.465 -10.624
   68    HZ1  LYS   8           HZ1      LYS   8   4.586   8.810 -12.216
   69    HZ2  LYS   8           HZ2      LYS   8   5.930   7.924 -12.490
   70    HZ3  LYS   8           HZ3      LYS   8   4.458   7.242 -12.684
   71    H    THR   9           H        THR   9  -0.847  10.382 -10.025
   72    HA   THR   9           HA       THR   9   0.112  12.058 -12.109
   73    HB   THR   9           HB       THR   9  -2.654  11.512 -11.085
   74    HG1  THR   9           HG1      THR   9  -1.885   9.638 -11.781
   75   HG21  THR   9          HG21      THR   9  -1.671  12.658 -13.710
   76   HG22  THR   9          HG22      THR   9  -3.327  12.046 -13.425
   77   HG23  THR   9          HG23      THR   9  -2.737  13.442 -12.514
   78    H    THR  10           H        THR  10  -1.540  12.858  -9.012
   79    HA   THR  10           HA       THR  10  -1.698  15.700  -9.502
   80    HB   THR  10           HB       THR  10  -1.594  14.196  -6.846
   81    HG1  THR  10           HG1      THR  10  -3.318  13.532  -8.027
   82   HG21  THR  10          HG21      THR  10  -2.553  17.010  -7.555
   83   HG22  THR  10          HG22      THR  10  -2.822  16.199  -6.000
   84   HG23  THR  10          HG23      THR  10  -1.176  16.604  -6.505
   85    H    LEU  11           H        LEU  11   0.712  13.746  -7.659
   86    HA   LEU  11           HA       LEU  11   2.436  15.943  -7.098
   87    HB2  LEU  11           HB2      LEU  11   3.033  12.967  -7.371
   88    HB3  LEU  11           HB3      LEU  11   4.184  14.159  -6.783
   89    HG   LEU  11           HG       LEU  11   1.541  13.444  -5.445
   90   HD11  LEU  11          HD11      LEU  11   4.418  12.965  -4.563
   91   HD12  LEU  11          HD12      LEU  11   2.946  12.457  -3.706
   92   HD13  LEU  11          HD13      LEU  11   3.360  11.737  -5.275
   93   HD21  LEU  11          HD21      LEU  11   2.405  14.842  -3.546
   94   HD22  LEU  11          HD22      LEU  11   3.696  15.435  -4.606
   95   HD23  LEU  11          HD23      LEU  11   1.986  15.795  -4.966
   96    H    ASP  12           H        ASP  12   2.521  13.715  -9.946
   97    HA   ASP  12           HA       ASP  12   4.764  14.894 -11.198
   98    HB2  ASP  12           HB2      ASP  12   3.749  12.777 -11.894
   99    HB3  ASP  12           HB3      ASP  12   2.295  13.620 -12.432
  100    H    LYS  13           H        LYS  13   1.264  15.782 -11.659
  101    HA   LYS  13           HA       LYS  13   1.792  18.024 -13.375
  102    HB2  LYS  13           HB2      LYS  13  -0.526  17.355 -11.515
  103    HB3  LYS  13           HB3      LYS  13  -0.501  18.790 -12.559
  104    HG2  LYS  13           HG2      LYS  13  -0.145  17.314 -14.552
  105    HG3  LYS  13           HG3      LYS  13  -0.362  15.898 -13.521
  106    HD2  LYS  13           HD2      LYS  13  -2.402  18.093 -14.072
  107    HD3  LYS  13           HD3      LYS  13  -2.419  16.444 -14.716
  108    HE2  LYS  13           HE2      LYS  13  -2.653  15.563 -12.377
  109    HE3  LYS  13           HE3      LYS  13  -2.722  17.229 -11.774
  110    HZ1  LYS  13           HZ1      LYS  13  -4.732  17.564 -13.106
  111    HZ2  LYS  13           HZ2      LYS  13  -4.677  16.031 -13.675
  112    HZ3  LYS  13           HZ3      LYS  13  -4.951  16.308 -12.087
  113    H    VAL  14           H        VAL  14   1.477  17.890  -9.807
  114    HA   VAL  14           HA       VAL  14   1.943  20.633  -9.286
  115    HB   VAL  14           HB       VAL  14   2.406  18.161  -7.716
  116   HG11  VAL  14          HG11      VAL  14   4.188  19.523  -6.841
  117   HG12  VAL  14          HG12      VAL  14   3.109  20.931  -6.714
  118   HG13  VAL  14          HG13      VAL  14   2.867  19.511  -5.678
  119   HG21  VAL  14          HG21      VAL  14   0.091  19.041  -8.037
  120   HG22  VAL  14          HG22      VAL  14   0.581  19.024  -6.338
  121   HG23  VAL  14          HG23      VAL  14   0.580  20.550  -7.250
  122    H    VAL  15           H        VAL  15   4.403  17.980  -9.351
  123    HA   VAL  15           HA       VAL  15   6.660  19.591  -8.934
  124    HB   VAL  15           HB       VAL  15   6.226  16.929 -10.180
  125   HG11  VAL  15          HG11      VAL  15   8.971  18.164  -9.770
  126   HG12  VAL  15          HG12      VAL  15   8.628  16.460 -10.177
  127   HG13  VAL  15          HG13      VAL  15   8.249  17.717 -11.338
  128   HG21  VAL  15          HG21      VAL  15   5.968  17.216  -7.710
  129   HG22  VAL  15          HG22      VAL  15   7.308  16.134  -8.116
  130   HG23  VAL  15          HG23      VAL  15   7.625  17.817  -7.626
  131    H    THR  16           H        THR  16   5.240  18.609 -12.081
  132    HA   THR  16           HA       THR  16   7.332  19.861 -13.642
  133    HB   THR  16           HB       THR  16   5.779  19.451 -15.576
  134    HG1  THR  16           HG1      THR  16   4.246  17.989 -13.723
  135   HG21  THR  16          HG21      THR  16   6.344  17.090 -13.716
  136   HG22  THR  16          HG22      THR  16   5.951  16.986 -15.448
  137   HG23  THR  16          HG23      THR  16   7.445  17.777 -14.920
  138    H    SER  17           H        SER  17   4.014  20.952 -12.828
  139    HA   SER  17           HA       SER  17   4.370  23.404 -14.375
  140    HB2  SER  17           HB2      SER  17   2.182  24.037 -13.559
  141    HB3  SER  17           HB3      SER  17   2.162  22.351 -14.099
  142    HG   SER  17           HG       SER  17   2.052  21.664 -12.018
  143    H    HIS  18           H        HIS  18   4.756  22.652 -10.897
  144    HA   HIS  18           HA       HIS  18   5.034  25.520 -10.201
  145    HB2  HIS  18           HB2      HIS  18   5.397  22.999  -8.533
  146    HB3  HIS  18           HB3      HIS  18   5.339  24.641  -7.931
  147    HD1  HIS  18           HD1      HIS  18   2.554  24.007 -10.427
  148    HD2  HIS  18           HD2      HIS  18   3.352  23.456  -6.336
  149    HE1  HIS  18           HE1      HIS  18   0.307  23.696  -9.304
  150    H    LYS  19           H        LYS  19   7.180  23.054 -11.252
  151    HA   LYS  19           HA       LYS  19   9.385  22.653 -11.284
  152    HB2  LYS  19           HB2      LYS  19   9.405  25.685 -11.092
  153    HB3  LYS  19           HB3      LYS  19  10.914  24.807 -11.063
  154    HG2  LYS  19           HG2      LYS  19   8.860  24.419 -13.282
  155    HG3  LYS  19           HG3      LYS  19  10.120  25.656 -13.324
  156    HD2  LYS  19           HD2      LYS  19  11.869  23.910 -13.066
  157    HD3  LYS  19           HD3      LYS  19  10.620  22.652 -13.124
  158    HE2  LYS  19           HE2      LYS  19   9.963  23.353 -15.388
  159    HE3  LYS  19           HE3      LYS  19  11.126  24.693 -15.335
  160    HZ1  LYS  19           HZ1      LYS  19  12.062  22.775 -16.503
  161    HZ2  LYS  19           HZ2      LYS  19  12.907  23.072 -15.132
  162    HZ3  LYS  19           HZ3      LYS  19  11.862  21.813 -15.167
  163    H    VAL  20           H        VAL  20   9.113  24.998  -8.611
  164    HA   VAL  20           HA       VAL  20  10.938  23.257  -6.936
  165    HB   VAL  20           HB       VAL  20  10.405  26.250  -6.794
  166   HG11  VAL  20          HG11      VAL  20  12.135  26.308  -5.024
  167   HG12  VAL  20          HG12      VAL  20  10.731  25.378  -4.504
  168   HG13  VAL  20          HG13      VAL  20  12.205  24.537  -5.032
  169   HG21  VAL  20          HG21      VAL  20  11.978  25.560  -8.618
  170   HG22  VAL  20          HG22      VAL  20  12.749  26.542  -7.359
  171   HG23  VAL  20          HG23      VAL  20  13.011  24.794  -7.392
  172    H    VAL  21           H        VAL  21   9.928  22.188  -5.313
  173    HA   VAL  21           HA       VAL  21   7.369  23.307  -4.201
  174    HB   VAL  21           HB       VAL  21   7.742  20.380  -4.943
  175   HG11  VAL  21          HG11      VAL  21   5.287  20.309  -4.601
  176   HG12  VAL  21          HG12      VAL  21   6.104  20.858  -3.131
  177   HG13  VAL  21          HG13      VAL  21   5.285  22.034  -4.179
  178   HG21  VAL  21          HG21      VAL  21   7.720  21.609  -7.051
  179   HG22  VAL  21          HG22      VAL  21   6.157  20.821  -6.821
  180   HG23  VAL  21          HG23      VAL  21   6.320  22.564  -6.501
  181    H    LEU  22           H        LEU  22   7.600  23.545  -2.086
  182    HA   LEU  22           HA       LEU  22   9.427  21.768  -0.550
  183    HB2  LEU  22           HB2      LEU  22   9.651  24.216  -0.480
  184    HB3  LEU  22           HB3      LEU  22   8.034  24.376   0.157
  185    HG   LEU  22           HG       LEU  22   9.903  24.698   1.764
  186   HD11  LEU  22          HD11      LEU  22   7.610  24.150   2.517
  187   HD12  LEU  22          HD12      LEU  22   8.057  22.431   2.603
  188   HD13  LEU  22          HD13      LEU  22   8.873  23.608   3.635
  189   HD21  LEU  22          HD21      LEU  22  11.105  22.833   2.742
  190   HD22  LEU  22          HD22      LEU  22  10.280  21.682   1.681
  191   HD23  LEU  22          HD23      LEU  22  11.410  22.878   0.999
  192    H    PHE  23           H        PHE  23   8.747  20.164   0.733
  193    HA   PHE  23           HA       PHE  23   5.819  19.857   1.243
  194    HB2  PHE  23           HB2      PHE  23   8.078  17.845   0.978
  195    HB3  PHE  23           HB3      PHE  23   6.469  17.444   1.558
  196    HD1  PHE  23           HD2      PHE  23   4.521  17.430   0.084
  197    HD2  PHE  23           HD1      PHE  23   8.427  18.443  -1.436
  198    HE1  PHE  23           HE2      PHE  23   3.717  17.067  -2.242
  199    HE2  PHE  23           HE1      PHE  23   7.592  18.101  -3.758
  200    HZ   PHE  23           HZ       PHE  23   5.257  17.414  -4.163
  201    H    MET  24           H        MET  24   5.141  20.154   3.259
  202    HA   MET  24           HA       MET  24   6.746  19.496   5.625
  203    HB2  MET  24           HB2      MET  24   6.765  21.767   6.555
  204    HB3  MET  24           HB3      MET  24   7.630  21.725   5.027
  205    HG2  MET  24           HG2      MET  24   5.757  22.749   3.857
  206    HG3  MET  24           HG3      MET  24   4.779  22.733   5.331
  207    HE1  MET  24           HE1      MET  24   5.998  26.475   4.293
  208    HE2  MET  24           HE2      MET  24   5.616  25.070   3.286
  209    HE3  MET  24           HE3      MET  24   4.518  25.535   4.611
  210    H    LYS  25           H        LYS  25   5.367  20.426   7.678
  211    HA   LYS  25           HA       LYS  25   2.669  19.285   7.422
  212    HB2  LYS  25           HB2      LYS  25   4.085  20.601   9.777
  213    HB3  LYS  25           HB3      LYS  25   2.575  19.675   9.844
  214    HG2  LYS  25           HG2      LYS  25   3.836  17.692   8.903
  215    HG3  LYS  25           HG3      LYS  25   5.337  18.597   9.125
  216    HD2  LYS  25           HD2      LYS  25   3.359  17.832  11.322
  217    HD3  LYS  25           HD3      LYS  25   4.898  17.030  10.980
  218    HE2  LYS  25           HE2      LYS  25   6.119  19.154  11.467
  219    HE3  LYS  25           HE3      LYS  25   4.578  19.944  11.849
  220    HZ1  LYS  25           HZ1      LYS  25   5.698  19.157  13.854
  221    HZ2  LYS  25           HZ2      LYS  25   4.286  18.356  13.665
  222    HZ3  LYS  25           HZ3      LYS  25   5.704  17.616  13.314
  223    H    GLY  26           H        GLY  26   2.840  21.419   5.710
  224    HA2  GLY  26           HA2      GLY  26   0.742  23.241   6.235
  225    HA3  GLY  26           HA3      GLY  26   2.229  24.023   6.755
  226    H    THR  27           H        THR  27   1.671  25.573   4.996
  227    HA   THR  27           HA       THR  27   3.062  24.974   2.508
  228    HB   THR  27           HB       THR  27   0.939  23.879   2.049
  229    HG1  THR  27           HG1      THR  27   0.745  24.756   0.070
  230   HG21  THR  27          HG21      THR  27  -0.346  26.638   2.258
  231   HG22  THR  27          HG22      THR  27  -1.122  25.151   1.688
  232   HG23  THR  27          HG23      THR  27  -0.617  25.291   3.378
  233    H    LYS  28           H        LYS  28   2.126  27.047   0.961
  234    HA   LYS  28           HA       LYS  28   3.639  29.250   1.983
  235    HB2  LYS  28           HB2      LYS  28   3.291  28.701  -0.383
  236    HB3  LYS  28           HB3      LYS  28   1.573  29.111  -0.258
  237    HG2  LYS  28           HG2      LYS  28   2.131  31.458   0.220
  238    HG3  LYS  28           HG3      LYS  28   3.863  31.090   0.183
  239    HD2  LYS  28           HD2      LYS  28   1.973  30.625  -2.171
  240    HD3  LYS  28           HD3      LYS  28   2.852  32.140  -1.921
  241    HE2  LYS  28           HE2      LYS  28   5.004  31.035  -2.101
  242    HE3  LYS  28           HE3      LYS  28   4.248  29.435  -2.142
  243    HZ1  LYS  28           HZ1      LYS  28   3.303  29.912  -4.263
  244    HZ2  LYS  28           HZ2      LYS  28   3.782  31.496  -4.228
  245    HZ3  LYS  28           HZ3      LYS  28   4.883  30.275  -4.354
  246    H    ASP  29           H        ASP  29   0.159  28.650   2.113
  247    HA   ASP  29           HA       ASP  29  -0.552  31.194   3.348
  248    HB2  ASP  29           HB2      ASP  29  -2.036  29.805   1.887
  249    HB3  ASP  29           HB3      ASP  29  -2.079  28.568   3.148
  250    H    PHE  30           H        PHE  30   0.850  28.312   4.592
  251    HA   PHE  30           HA       PHE  30   0.543  29.193   7.382
  252    HB2  PHE  30           HB2      PHE  30  -1.447  27.839   7.099
  253    HB3  PHE  30           HB3      PHE  30  -0.527  26.545   6.354
  254    HD1  PHE  30           HD2      PHE  30   0.109  28.515   9.536
  255    HD2  PHE  30           HD1      PHE  30  -0.713  24.675   7.749
  256    HE1  PHE  30           HE2      PHE  30   0.408  27.426  11.738
  257    HE2  PHE  30           HE1      PHE  30  -0.429  23.590   9.962
  258    HZ   PHE  30           HZ       PHE  30   0.136  24.962  11.963
  259    HA   PRO  31           HA       PRO  31   4.615  27.420   6.028
  260    HB2  PRO  31           HB2      PRO  31   6.285  29.461   6.760
  261    HB3  PRO  31           HB3      PRO  31   5.357  29.453   5.228
  262    HG2  PRO  31           HG2      PRO  31   4.624  30.808   7.839
  263    HG3  PRO  31           HG3      PRO  31   4.610  31.508   6.187
  264    HD2  PRO  31           HD2      PRO  31   2.350  30.540   7.352
  265    HD3  PRO  31           HD3      PRO  31   2.651  30.335   5.602
  266    H    GLN  32           H        GLN  32   6.175  26.382   7.297
  267    HA   GLN  32           HA       GLN  32   5.527  26.287  10.206
  268    HB2  GLN  32           HB2      GLN  32   7.045  24.300   8.473
  269    HB3  GLN  32           HB3      GLN  32   6.586  24.088  10.163
  270    HG2  GLN  32           HG2      GLN  32   4.677  24.291   7.784
  271    HG3  GLN  32           HG3      GLN  32   5.069  22.847   8.697
  272   HE21  GLN  32          HE22      GLN  32   2.837  25.497   8.488
  273   HE22  GLN  32          HE21      GLN  32   2.049  25.148  10.010
  274    H    CYS  33           H        CYS  33   6.884  27.055  11.684
  275    HA   CYS  33           HA       CYS  33   9.037  28.699  10.928
  276    HB2  CYS  33           HB2      CYS  33   8.236  27.652  13.679
  277    HB3  CYS  33           HB3      CYS  33   9.303  29.030  13.375
  278    HG   CYS  33           HG       CYS  33   6.944  29.929  14.096
  279    H    GLY  34           H        GLY  34  11.228  28.734  11.539
  280    HA2  GLY  34           HA2      GLY  34  13.335  27.851  12.106
  281    HA3  GLY  34           HA3      GLY  34  12.597  26.267  12.408
  282    H    PHE  35           H        PHE  35  13.184  24.737  11.001
  283    HA   PHE  35           HA       PHE  35  14.978  25.125   8.885
  284    HB2  PHE  35           HB2      PHE  35  13.195  22.859   9.795
  285    HB3  PHE  35           HB3      PHE  35  13.961  22.739   8.227
  286    HD1  PHE  35           HD1      PHE  35  15.761  24.410  11.062
  287    HD2  PHE  35           HD2      PHE  35  15.211  20.786   8.776
  288    HE1  PHE  35           HE1      PHE  35  17.874  23.512  11.966
  289    HE2  PHE  35           HE2      PHE  35  17.338  19.895   9.686
  290    HZ   PHE  35           HZ       PHE  35  18.681  21.260  11.279
  291    H    SER  36           H        SER  36  11.494  24.233   8.410
  292    HA   SER  36           HA       SER  36  11.579  24.430   5.609
  293    HB2  SER  36           HB2      SER  36   9.156  24.964   7.353
  294    HB3  SER  36           HB3      SER  36   9.190  24.363   5.687
  295    HG   SER  36           HG       SER  36   8.928  22.737   7.400
  296    H    GLN  37           H        GLN  37  10.408  26.943   7.920
  297    HA   GLN  37           HA       GLN  37   9.953  29.079   6.168
  298    HB2  GLN  37           HB2      GLN  37   9.443  29.079   8.559
  299    HB3  GLN  37           HB3      GLN  37  11.161  28.984   8.966
  300    HG2  GLN  37           HG2      GLN  37  11.477  31.281   7.987
  301    HG3  GLN  37           HG3      GLN  37   9.747  31.332   7.640
  302   HE21  GLN  37          HE22      GLN  37   9.447  33.198   9.076
  303   HE22  GLN  37          HE21      GLN  37   9.526  32.977  10.816
  304    H    THR  38           H        THR  38  13.144  28.146   7.645
  305    HA   THR  38           HA       THR  38  14.628  30.202   6.371
  306    HB   THR  38           HB       THR  38  15.546  27.514   7.458
  307    HG1  THR  38           HG1      THR  38  14.607  28.654   9.063
  308   HG21  THR  38          HG21      THR  38  17.024  30.104   6.841
  309   HG22  THR  38          HG22      THR  38  17.698  28.751   7.783
  310   HG23  THR  38          HG23      THR  38  17.284  28.517   6.079
  311    H    VAL  39           H        VAL  39  14.138  26.762   5.417
  312    HA   VAL  39           HA       VAL  39  15.572  26.889   2.964
  313    HB   VAL  39           HB       VAL  39  13.152  25.222   3.737
  314   HG11  VAL  39          HG11      VAL  39  13.741  23.727   1.818
  315   HG12  VAL  39          HG12      VAL  39  13.108  25.284   1.294
  316   HG13  VAL  39          HG13      VAL  39  14.859  24.972   1.223
  317   HG21  VAL  39          HG21      VAL  39  14.811  23.412   3.959
  318   HG22  VAL  39          HG22      VAL  39  16.101  24.509   3.429
  319   HG23  VAL  39          HG23      VAL  39  15.282  24.781   4.972
  320    H    VAL  40           H        VAL  40  12.106  27.704   3.578
  321    HA   VAL  40           HA       VAL  40  11.507  28.498   0.900
  322    HB   VAL  40           HB       VAL  40  10.295  29.204   3.582
  323   HG11  VAL  40          HG11      VAL  40   9.414  30.225   0.868
  324   HG12  VAL  40          HG12      VAL  40   8.352  30.182   2.293
  325   HG13  VAL  40          HG13      VAL  40   9.806  31.184   2.315
  326   HG21  VAL  40          HG21      VAL  40   9.958  26.910   2.664
  327   HG22  VAL  40          HG22      VAL  40   8.440  27.812   2.779
  328   HG23  VAL  40          HG23      VAL  40   9.242  27.611   1.206
  329    H    GLN  41           H        GLN  41  12.750  30.489   3.663
  330    HA   GLN  41           HA       GLN  41  12.868  32.953   2.186
  331    HB2  GLN  41           HB2      GLN  41  14.305  31.921   4.662
  332    HB3  GLN  41           HB3      GLN  41  14.578  33.537   4.025
  333    HG2  GLN  41           HG2      GLN  41  11.819  32.508   4.836
  334    HG3  GLN  41           HG3      GLN  41  12.897  33.400   5.904
  335   HE21  GLN  41          HE22      GLN  41  13.463  35.697   5.275
  336   HE22  GLN  41          HE21      GLN  41  12.328  36.562   4.256
  337    H    ILE  42           H        ILE  42  15.347  30.364   2.579
  338    HA   ILE  42           HA       ILE  42  17.434  31.724   1.156
  339    HB   ILE  42           HB       ILE  42  16.850  28.769   1.566
  340   HG12  ILE  42          HG12      ILE  42  19.072  30.541   2.699
  341   HG13  ILE  42          HG13      ILE  42  17.540  30.309   3.521
  342   HG21  ILE  42          HG21      ILE  42  18.148  28.936  -0.521
  343   HG22  ILE  42          HG22      ILE  42  19.274  30.081   0.237
  344   HG23  ILE  42          HG23      ILE  42  19.218  28.387   0.753
  345   HD11  ILE  42          HD11      ILE  42  19.596  28.148   2.931
  346   HD12  ILE  42          HD12      ILE  42  19.124  28.814   4.500
  347   HD13  ILE  42          HD13      ILE  42  17.968  27.829   3.581
  348    H    LEU  43           H        LEU  43  14.851  29.574  -0.162
  349    HA   LEU  43           HA       LEU  43  15.739  29.783  -2.894
  350    HB2  LEU  43           HB2      LEU  43  13.020  29.224  -1.628
  351    HB3  LEU  43           HB3      LEU  43  13.317  29.084  -3.359
  352    HG   LEU  43           HG       LEU  43  14.926  27.500  -1.309
  353   HD11  LEU  43          HD11      LEU  43  12.358  26.693  -2.730
  354   HD12  LEU  43          HD12      LEU  43  13.420  25.605  -1.808
  355   HD13  LEU  43          HD13      LEU  43  12.582  26.926  -0.981
  356   HD21  LEU  43          HD21      LEU  43  15.955  27.647  -3.550
  357   HD22  LEU  43          HD22      LEU  43  15.365  26.010  -3.237
  358   HD23  LEU  43          HD23      LEU  43  14.437  27.094  -4.295
  359    H    LYS  44           H        LYS  44  13.180  31.597  -1.158
  360    HA   LYS  44           HA       LYS  44  12.442  33.450  -3.131
  361    HB2  LYS  44           HB2      LYS  44  12.711  33.719  -0.109
  362    HB3  LYS  44           HB3      LYS  44  12.083  35.015  -1.129
  363    HG2  LYS  44           HG2      LYS  44  10.232  33.658  -1.885
  364    HG3  LYS  44           HG3      LYS  44  10.900  32.212  -1.125
  365    HD2  LYS  44           HD2      LYS  44   9.108  33.038   0.271
  366    HD3  LYS  44           HD3      LYS  44  10.642  33.265   1.119
  367    HE2  LYS  44           HE2      LYS  44  10.663  35.669   0.359
  368    HE3  LYS  44           HE3      LYS  44   9.096  35.416  -0.416
  369    HZ1  LYS  44           HZ1      LYS  44   8.849  36.381   1.789
  370    HZ2  LYS  44           HZ2      LYS  44   8.184  34.884   1.795
  371    HZ3  LYS  44           HZ3      LYS  44   9.659  35.139   2.493
  372    H    SER  45           H        SER  45  14.945  33.995  -0.629
  373    HA   SER  45           HA       SER  45  15.900  36.452  -1.742
  374    HB2  SER  45           HB2      SER  45  17.612  36.363  -0.010
  375    HB3  SER  45           HB3      SER  45  16.006  36.016   0.632
  376    HG   SER  45           HG       SER  45  16.516  33.863   0.783
  377    H    LEU  46           H        LEU  46  17.065  33.116  -2.307
  378    HA   LEU  46           HA       LEU  46  19.483  33.739  -3.652
  379    HB2  LEU  46           HB2      LEU  46  18.855  31.460  -3.086
  380    HB3  LEU  46           HB3      LEU  46  17.379  31.567  -4.035
  381    HG   LEU  46           HG       LEU  46  18.672  31.623  -6.125
  382   HD11  LEU  46          HD11      LEU  46  21.102  31.112  -6.086
  383   HD12  LEU  46          HD12      LEU  46  20.779  32.670  -5.327
  384   HD13  LEU  46          HD13      LEU  46  21.100  31.249  -4.312
  385   HD21  LEU  46          HD21      LEU  46  19.410  29.284  -6.050
  386   HD22  LEU  46          HD22      LEU  46  19.423  29.322  -4.270
  387   HD23  LEU  46          HD23      LEU  46  17.894  29.481  -5.163
  388    H    ASN  47           H        ASN  47  16.137  33.841  -4.639
  389    HA   ASN  47           HA       ASN  47  15.289  35.735  -5.750
  390    HB2  ASN  47           HB2      ASN  47  17.472  36.691  -6.451
  391    HB3  ASN  47           HB3      ASN  47  17.496  35.568  -7.818
  392   HD21  ASN  47          HD22      ASN  47  17.622  37.632  -9.084
  393   HD22  ASN  47          HD21      ASN  47  16.115  38.453  -9.454
  394    H    ALA  48           H        ALA  48  14.173  33.535  -5.518
  395    HA   ALA  48           HA       ALA  48  13.463  32.574  -8.258
  396    HB1  ALA  48           HB1      ALA  48  13.831  30.228  -7.604
  397    HB2  ALA  48           HB2      ALA  48  15.328  31.167  -7.468
  398    HB3  ALA  48           HB3      ALA  48  14.403  30.743  -6.011
  399    HA   PRO  49           HA       PRO  49   9.378  32.072  -6.427
  400    HB2  PRO  49           HB2      PRO  49   8.093  30.778  -8.438
  401    HB3  PRO  49           HB3      PRO  49   8.596  32.488  -8.590
  402    HG2  PRO  49           HG2      PRO  49  10.051  30.023  -9.604
  403    HG3  PRO  49           HG3      PRO  49   9.662  31.523 -10.506
  404    HD2  PRO  49           HD2      PRO  49  12.100  31.121  -9.325
  405    HD3  PRO  49           HD3      PRO  49  11.347  32.739  -9.410
  406    H    PHE  50           H        PHE  50   7.971  30.307  -5.782
  407    HA   PHE  50           HA       PHE  50   8.838  27.546  -5.860
  408    HB2  PHE  50           HB2      PHE  50   9.377  27.260  -3.560
  409    HB3  PHE  50           HB3      PHE  50  10.341  28.629  -4.074
  410    HD1  PHE  50           HD2      PHE  50   9.370  31.020  -3.580
  411    HD2  PHE  50           HD1      PHE  50   7.890  27.425  -1.712
  412    HE1  PHE  50           HE2      PHE  50   8.166  32.386  -1.911
  413    HE2  PHE  50           HE1      PHE  50   6.707  28.794  -0.017
  414    HZ   PHE  50           HZ       PHE  50   6.814  31.281  -0.126
  415    H    GLU  51           H        GLU  51   7.316  26.157  -4.691
  416    HA   GLU  51           HA       GLU  51   4.811  27.407  -3.731
  417    HB2  GLU  51           HB2      GLU  51   4.947  25.070  -5.673
  418    HB3  GLU  51           HB3      GLU  51   3.482  25.621  -4.870
  419    HG2  GLU  51           HG2      GLU  51   5.092  27.193  -6.919
  420    HG3  GLU  51           HG3      GLU  51   3.552  26.396  -7.182
  421    H    SER  52           H        SER  52   3.473  25.374  -2.674
  422    HA   SER  52           HA       SER  52   5.330  23.530  -1.345
  423    HB2  SER  52           HB2      SER  52   3.835  25.671   0.221
  424    HB3  SER  52           HB3      SER  52   4.729  24.318   0.935
  425    HG   SER  52           HG       SER  52   6.220  25.710  -0.879
  426    H    VAL  53           H        VAL  53   4.305  21.950   0.036
  427    HA   VAL  53           HA       VAL  53   1.349  21.613  -0.336
  428    HB   VAL  53           HB       VAL  53   3.472  19.546  -0.976
  429   HG11  VAL  53          HG11      VAL  53   1.554  18.055  -1.633
  430   HG12  VAL  53          HG12      VAL  53   1.616  18.380   0.099
  431   HG13  VAL  53          HG13      VAL  53   0.441  19.241  -0.923
  432   HG21  VAL  53          HG21      VAL  53   1.400  20.837  -2.798
  433   HG22  VAL  53          HG22      VAL  53   3.164  21.075  -2.862
  434   HG23  VAL  53          HG23      VAL  53   2.479  19.497  -3.247
  435    H    ASN  54           H        ASN  54   0.335  20.867   1.420
  436    HA   ASN  54           HA       ASN  54   1.851  20.363   3.864
  437    HB2  ASN  54           HB2      ASN  54  -0.214  21.700   3.896
  438    HB3  ASN  54           HB3      ASN  54  -1.136  20.305   3.333
  439   HD21  ASN  54          HD22      ASN  54  -2.278  21.042   5.496
  440   HD22  ASN  54          HD21      ASN  54  -1.708  20.212   6.931
  441    H    ILE  55           H        ILE  55   2.684  18.422   4.335
  442    HA   ILE  55           HA       ILE  55   1.920  15.972   2.960
  443    HB   ILE  55           HB       ILE  55   3.505  14.857   4.362
  444   HG12  ILE  55          HG12      ILE  55   3.447  17.297   6.166
  445   HG13  ILE  55          HG13      ILE  55   3.043  15.622   6.533
  446   HG21  ILE  55          HG21      ILE  55   4.698  17.597   3.776
  447   HG22  ILE  55          HG22      ILE  55   5.478  16.007   3.663
  448   HG23  ILE  55          HG23      ILE  55   4.229  16.464   2.500
  449   HD11  ILE  55          HD11      ILE  55   5.167  16.100   7.522
  450   HD12  ILE  55          HD12      ILE  55   5.439  14.991   6.162
  451   HD13  ILE  55          HD13      ILE  55   5.811  16.730   6.001
  452    H    LEU  56           H        LEU  56   0.580  17.479   5.776
  453    HA   LEU  56           HA       LEU  56  -0.503  14.958   6.855
  454    HB2  LEU  56           HB2      LEU  56   0.255  17.615   7.869
  455    HB3  LEU  56           HB3      LEU  56  -1.365  17.228   8.372
  456    HG   LEU  56           HG       LEU  56   0.281  16.610  10.032
  457   HD11  LEU  56          HD11      LEU  56  -0.998  14.103   8.848
  458   HD12  LEU  56          HD12      LEU  56  -0.455  14.334  10.518
  459   HD13  LEU  56          HD13      LEU  56  -1.808  15.288   9.892
  460   HD21  LEU  56          HD21      LEU  56   1.884  14.776   9.701
  461   HD22  LEU  56          HD22      LEU  56   1.415  14.637   7.992
  462   HD23  LEU  56          HD23      LEU  56   2.193  16.116   8.585
  463    H    GLU  57           H        GLU  57  -1.692  17.033   4.496
  464    HA   GLU  57           HA       GLU  57  -4.357  17.389   5.496
  465    HB2  GLU  57           HB2      GLU  57  -4.930  18.290   3.384
  466    HB3  GLU  57           HB3      GLU  57  -3.321  18.853   3.801
  467    HG2  GLU  57           HG2      GLU  57  -2.336  17.206   2.222
  468    HG3  GLU  57           HG3      GLU  57  -3.940  16.584   1.851
  469    H    ASN  58           H        ASN  58  -2.931  14.580   4.059
  470    HA   ASN  58           HA       ASN  58  -5.415  13.111   4.377
  471    HB2  ASN  58           HB2      ASN  58  -5.613  14.106   2.059
  472    HB3  ASN  58           HB3      ASN  58  -4.170  13.211   1.587
  473   HD21  ASN  58          HD22      ASN  58  -7.622  13.043   2.092
  474   HD22  ASN  58          HD21      ASN  58  -7.783  11.327   1.754
  475    H    GLU  59           H        GLU  59  -5.019  10.940   4.849
  476    HA   GLU  59           HA       GLU  59  -2.388  10.207   5.610
  477    HB2  GLU  59           HB2      GLU  59  -4.488   9.390   6.655
  478    HB3  GLU  59           HB3      GLU  59  -4.856   8.479   5.199
  479    HG2  GLU  59           HG2      GLU  59  -3.997   7.008   6.912
  480    HG3  GLU  59           HG3      GLU  59  -2.884   7.050   5.552
  481    H    LEU  60           H        LEU  60  -4.194   9.393   2.610
  482    HA   LEU  60           HA       LEU  60  -2.334   7.433   1.659
  483    HB2  LEU  60           HB2      LEU  60  -4.149   9.291   0.060
  484    HB3  LEU  60           HB3      LEU  60  -3.352   7.846  -0.549
  485    HG   LEU  60           HG       LEU  60  -5.527   7.892   1.593
  486   HD11  LEU  60          HD11      LEU  60  -6.326   8.444  -0.680
  487   HD12  LEU  60          HD12      LEU  60  -5.573   6.965  -1.315
  488   HD13  LEU  60          HD13      LEU  60  -6.918   6.858  -0.157
  489   HD21  LEU  60          HD21      LEU  60  -5.548   5.413   1.287
  490   HD22  LEU  60          HD22      LEU  60  -4.088   5.535   0.278
  491   HD23  LEU  60          HD23      LEU  60  -4.042   5.987   1.999
  492    H    LEU  61           H        LEU  61  -2.512  10.971   1.162
  493    HA   LEU  61           HA       LEU  61  -0.126  11.195  -0.420
  494    HB2  LEU  61           HB2      LEU  61  -1.813  12.994  -0.249
  495    HB3  LEU  61           HB3      LEU  61  -1.476  13.173   1.473
  496    HG   LEU  61           HG       LEU  61   0.863  13.889   0.925
  497   HD11  LEU  61          HD11      LEU  61   1.411  14.555  -1.388
  498   HD12  LEU  61          HD12      LEU  61   1.147  12.808  -1.295
  499   HD13  LEU  61          HD13      LEU  61  -0.114  13.863  -1.974
  500   HD21  LEU  61          HD21      LEU  61  -1.348  15.510  -0.400
  501   HD22  LEU  61          HD22      LEU  61  -0.916  15.521   1.322
  502   HD23  LEU  61          HD23      LEU  61   0.238  16.126   0.124
  503    H    ARG  62           H        ARG  62  -0.620  11.503   3.138
  504    HA   ARG  62           HA       ARG  62   2.024  11.998   3.881
  505    HB2  ARG  62           HB2      ARG  62  -0.141  11.981   5.288
  506    HB3  ARG  62           HB3      ARG  62   0.142  10.247   5.502
  507    HG2  ARG  62           HG2      ARG  62   2.445  10.846   6.435
  508    HG3  ARG  62           HG3      ARG  62   1.983  12.544   6.316
  509    HD2  ARG  62           HD2      ARG  62   1.558  11.902   8.581
  510    HD3  ARG  62           HD3      ARG  62  -0.019  12.017   7.798
  511    HE   ARG  62           HE       ARG  62  -0.341   9.730   8.027
  512   HH11  ARG  62          HH11      ARG  62   3.018  10.402   9.007
  513   HH12  ARG  62          HH12      ARG  62   3.257   8.766   9.541
  514   HH21  ARG  62          HH21      ARG  62   0.084   7.680   8.554
  515   HH22  ARG  62          HH22      ARG  62   1.586   7.232   9.339
  516    H    GLN  63           H        GLN  63   0.495   8.810   3.300
  517    HA   GLN  63           HA       GLN  63   2.863   7.249   3.928
  518    HB2  GLN  63           HB2      GLN  63   0.527   6.457   4.153
  519    HB3  GLN  63           HB3      GLN  63   0.293   6.592   2.405
  520    HG2  GLN  63           HG2      GLN  63   2.031   4.873   2.032
  521    HG3  GLN  63           HG3      GLN  63   2.328   4.783   3.771
  522   HE21  GLN  63          HE22      GLN  63  -0.294   4.294   1.292
  523   HE22  GLN  63          HE21      GLN  63  -1.103   3.049   2.231
  524    H    GLY  64           H        GLY  64   1.298   8.189   0.787
  525    HA2  GLY  64           HA2      GLY  64   3.218   6.694  -0.758
  526    HA3  GLY  64           HA3      GLY  64   1.930   7.768  -1.365
  527    H    LEU  65           H        LEU  65   3.101  10.121   0.128
  528    HA   LEU  65           HA       LEU  65   4.793  11.133  -1.927
  529    HB2  LEU  65           HB2      LEU  65   3.402  12.505  -0.425
  530    HB3  LEU  65           HB3      LEU  65   4.348  11.974   0.965
  531    HG   LEU  65           HG       LEU  65   6.349  13.128   0.014
  532   HD11  LEU  65          HD11      LEU  65   6.055  14.784  -1.784
  533   HD12  LEU  65          HD12      LEU  65   5.760  13.151  -2.386
  534   HD13  LEU  65          HD13      LEU  65   4.386  14.227  -2.046
  535   HD21  LEU  65          HD21      LEU  65   5.611  15.329   0.654
  536   HD22  LEU  65          HD22      LEU  65   3.901  14.894   0.381
  537   HD23  LEU  65          HD23      LEU  65   4.835  14.140   1.695
  538    H    LYS  66           H        LYS  66   5.618   9.489   1.130
  539    HA   LYS  66           HA       LYS  66   8.445   9.950   1.084
  540    HB2  LYS  66           HB2      LYS  66   7.056   9.115   2.993
  541    HB3  LYS  66           HB3      LYS  66   6.870   7.560   2.162
  542    HG2  LYS  66           HG2      LYS  66   9.320   7.202   2.271
  543    HG3  LYS  66           HG3      LYS  66   9.534   8.831   2.926
  544    HD2  LYS  66           HD2      LYS  66   9.734   7.203   4.708
  545    HD3  LYS  66           HD3      LYS  66   8.292   8.193   4.968
  546    HE2  LYS  66           HE2      LYS  66   6.864   6.373   4.057
  547    HE3  LYS  66           HE3      LYS  66   8.302   5.406   3.703
  548    HZ1  LYS  66           HZ1      LYS  66   7.433   6.235   6.422
  549    HZ2  LYS  66           HZ2      LYS  66   7.276   4.732   5.790
  550    HZ3  LYS  66           HZ3      LYS  66   8.764   5.337   6.098
  551    H    GLU  67           H        GLU  67   6.481   7.325  -0.389
  552    HA   GLU  67           HA       GLU  67   8.724   5.940  -1.566
  553    HB2  GLU  67           HB2      GLU  67   6.482   4.939  -1.090
  554    HB3  GLU  67           HB3      GLU  67   5.802   5.890  -2.423
  555    HG2  GLU  67           HG2      GLU  67   7.306   4.762  -4.019
  556    HG3  GLU  67           HG3      GLU  67   8.085   3.887  -2.699
  557    H    TYR  68           H        TYR  68   6.380   8.357  -2.908
  558    HA   TYR  68           HA       TYR  68   7.454   8.547  -5.518
  559    HB2  TYR  68           HB2      TYR  68   5.299   9.516  -4.711
  560    HB3  TYR  68           HB3      TYR  68   6.187  10.727  -3.803
  561    HD1  TYR  68           HD2      TYR  68   7.413  12.569  -4.983
  562    HD2  TYR  68           HD1      TYR  68   5.063   9.650  -7.124
  563    HE1  TYR  68           HE2      TYR  68   7.477  14.001  -7.001
  564    HE2  TYR  68           HE1      TYR  68   5.107  11.113  -9.153
  565    HH   TYR  68           HH       TYR  68   6.882  14.204  -9.212
  566    H    SER  69           H        SER  69   8.411  10.298  -2.562
  567    HA   SER  69           HA       SER  69  10.399  11.941  -3.923
  568    HB2  SER  69           HB2      SER  69  10.054  11.472  -0.941
  569    HB3  SER  69           HB3      SER  69  10.917  12.798  -1.732
  570    HG   SER  69           HG       SER  69   8.134  12.269  -1.664
  571    H    SER  70           H        SER  70  10.523   8.806  -2.468
  572    HA   SER  70           HA       SER  70  12.059   7.214  -2.157
  573    HB2  SER  70           HB2      SER  70  14.142   7.133  -3.300
  574    HB3  SER  70           HB3      SER  70  12.937   7.816  -4.393
  575    HG   SER  70           HG       SER  70  13.790   9.921  -3.560
  576    H    TRP  71           H        TRP  71  13.191  10.447  -1.320
  577    HA   TRP  71           HA       TRP  71  14.918   9.663   0.848
  578    HB2  TRP  71           HB2      TRP  71  15.196  11.736  -0.295
  579    HB3  TRP  71           HB3      TRP  71  13.544  12.240   0.044
  580    HD1  TRP  71           HD1      TRP  71  13.021  13.337   2.295
  581    HE1  TRP  71           HE1      TRP  71  14.389  14.258   4.220
  582    HE3  TRP  71           HE3      TRP  71  17.539  11.240   1.106
  583    HZ2  TRP  71           HZ2      TRP  71  17.153  14.161   5.129
  584    HZ3  TRP  71           HZ3      TRP  71  19.532  11.672   2.528
  585    HH2  TRP  71           HH2      TRP  71  19.348  13.129   4.539
  586    HA   PRO  72           HA       PRO  72  11.620   8.616   3.572
  587    HB2  PRO  72           HB2      PRO  72  12.935   7.982   5.847
  588    HB3  PRO  72           HB3      PRO  72  13.202   7.095   4.315
  589    HG2  PRO  72           HG2      PRO  72  14.861   9.380   5.447
  590    HG3  PRO  72           HG3      PRO  72  15.432   7.778   4.872
  591    HD2  PRO  72           HD2      PRO  72  15.447   9.986   3.263
  592    HD3  PRO  72           HD3      PRO  72  15.088   8.357   2.620
  593    H    THR  73           H        THR  73  13.588  11.397   4.696
  594    HA   THR  73           HA       THR  73  11.741  11.833   6.975
  595    HB   THR  73           HB       THR  73  14.416  13.148   6.345
  596    HG1  THR  73           HG1      THR  73  13.749  10.997   8.078
  597   HG21  THR  73          HG21      THR  73  14.377  13.634   8.798
  598   HG22  THR  73          HG22      THR  73  13.101  14.478   7.917
  599   HG23  THR  73          HG23      THR  73  12.702  13.032   8.871
  600    H    PHE  74           H        PHE  74  10.322  13.417   7.103
  601    HA   PHE  74           HA       PHE  74  10.495  15.750   5.251
  602    HB2  PHE  74           HB2      PHE  74   8.059  14.383   6.446
  603    HB3  PHE  74           HB3      PHE  74   8.022  15.920   5.594
  604    HD1  PHE  74           HD1      PHE  74   8.825  12.292   5.178
  605    HD2  PHE  74           HD2      PHE  74   8.027  16.038   3.202
  606    HE1  PHE  74           HE1      PHE  74   8.845  11.143   2.989
  607    HE2  PHE  74           HE2      PHE  74   8.035  14.879   1.006
  608    HZ   PHE  74           HZ       PHE  74   8.471  12.434   0.897
  609    HA   PRO  75           HA       PRO  75   9.088  18.050   5.402
  610    HB2  PRO  75           HB2      PRO  75  10.931  20.192   6.481
  611    HB3  PRO  75           HB3      PRO  75   9.335  20.372   5.700
  612    HG2  PRO  75           HG2      PRO  75   9.558  20.560   8.390
  613    HG3  PRO  75           HG3      PRO  75   8.217  19.590   7.693
  614    HD2  PRO  75           HD2      PRO  75  10.899  18.617   8.738
  615    HD3  PRO  75           HD3      PRO  75   9.258  17.993   9.096
  616    H    GLN  76           H        GLN  76  10.124  18.773   3.429
  617    HA   GLN  76           HA       GLN  76  12.967  18.788   3.047
  618    HB2  GLN  76           HB2      GLN  76  13.201  16.768   1.637
  619    HB3  GLN  76           HB3      GLN  76  12.845  16.395   3.306
  620    HG2  GLN  76           HG2      GLN  76  11.345  14.958   2.443
  621    HG3  GLN  76           HG3      GLN  76  10.304  16.367   2.317
  622   HE21  GLN  76          HE22      GLN  76  10.265  17.498   0.137
  623   HE22  GLN  76          HE21      GLN  76  10.584  16.504  -1.278
  624    H    LEU  77           H        LEU  77  13.580  19.290   0.883
  625    HA   LEU  77           HA       LEU  77  11.463  20.708  -0.606
  626    HB2  LEU  77           HB2      LEU  77  13.505  21.881   0.191
  627    HB3  LEU  77           HB3      LEU  77  14.510  20.767  -0.701
  628    HG   LEU  77           HG       LEU  77  13.588  21.708  -2.855
  629   HD11  LEU  77          HD11      LEU  77  12.267  23.761  -2.813
  630   HD12  LEU  77          HD12      LEU  77  11.371  22.461  -2.023
  631   HD13  LEU  77          HD13      LEU  77  12.172  23.699  -1.039
  632   HD21  LEU  77          HD21      LEU  77  14.774  23.809  -2.732
  633   HD22  LEU  77          HD22      LEU  77  14.747  23.763  -0.953
  634   HD23  LEU  77          HD23      LEU  77  15.668  22.554  -1.867
  635    H    TYR  78           H        TYR  78  11.360  20.523  -2.955
  636    HA   TYR  78           HA       TYR  78  12.666  18.211  -4.251
  637    HB2  TYR  78           HB2      TYR  78  10.419  17.542  -3.137
  638    HB3  TYR  78           HB3      TYR  78   9.661  18.582  -4.328
  639    HD1  TYR  78           HD1      TYR  78   9.922  18.027  -6.806
  640    HD2  TYR  78           HD2      TYR  78  11.103  15.326  -3.656
  641    HE1  TYR  78           HE1      TYR  78   9.896  16.132  -8.410
  642    HE2  TYR  78           HE2      TYR  78  11.079  13.436  -5.271
  643    HH   TYR  78           HH       TYR  78  10.579  12.765  -7.417
  644    H    ILE  79           H        ILE  79  12.988  18.537  -6.470
  645    HA   ILE  79           HA       ILE  79  11.708  20.912  -7.715
  646    HB   ILE  79           HB       ILE  79  14.727  20.603  -7.824
  647   HG12  ILE  79          HG12      ILE  79  13.173  22.501  -6.008
  648   HG13  ILE  79          HG13      ILE  79  14.162  21.140  -5.474
  649   HG21  ILE  79          HG21      ILE  79  12.792  22.853  -8.561
  650   HG22  ILE  79          HG22      ILE  79  14.559  22.903  -8.780
  651   HG23  ILE  79          HG23      ILE  79  13.590  21.766  -9.702
  652   HD11  ILE  79          HD11      ILE  79  16.178  22.229  -6.482
  653   HD12  ILE  79          HD12      ILE  79  15.183  23.678  -6.777
  654   HD13  ILE  79          HD13      ILE  79  15.441  23.106  -5.128
  655    H    ASP  80           H        ASP  80  11.080  20.500  -9.675
  656    HA   ASP  80           HA       ASP  80  10.771  19.766 -11.759
  657    HB2  ASP  80           HB2      ASP  80  13.039  20.775 -11.876
  658    HB3  ASP  80           HB3      ASP  80  13.747  19.169 -11.692
  659    H    GLY  81           H        GLY  81  12.211  17.323  -9.769
  660    HA2  GLY  81           HA2      GLY  81  10.759  15.061 -10.476
  661    HA3  GLY  81           HA3      GLY  81  12.037  15.138 -11.676
  662    H    GLU  82           H        GLU  82  13.126  16.424  -8.636
  663    HA   GLU  82           HA       GLU  82  13.774  13.827  -7.451
  664    HB2  GLU  82           HB2      GLU  82  15.572  14.362  -9.169
  665    HB3  GLU  82           HB3      GLU  82  16.000  15.772  -8.201
  666    HG2  GLU  82           HG2      GLU  82  16.648  14.335  -6.328
  667    HG3  GLU  82           HG3      GLU  82  15.981  12.915  -7.136
  668    H    PHE  83           H        PHE  83  14.445  13.974  -5.254
  669    HA   PHE  83           HA       PHE  83  13.449  16.289  -3.782
  670    HB2  PHE  83           HB2      PHE  83  13.675  15.035  -1.890
  671    HB3  PHE  83           HB3      PHE  83  13.285  13.808  -3.078
  672    HD1  PHE  83           HD1      PHE  83  15.143  12.266  -3.918
  673    HD2  PHE  83           HD2      PHE  83  15.767  15.113  -0.730
  674    HE1  PHE  83           HE1      PHE  83  17.250  11.117  -3.297
  675    HE2  PHE  83           HE2      PHE  83  17.873  13.974  -0.123
  676    HZ   PHE  83           HZ       PHE  83  18.629  11.976  -1.413
  677    H    PHE  84           H        PHE  84  14.560  17.375  -2.174
  678    HA   PHE  84           HA       PHE  84  17.484  17.551  -2.403
  679    HB2  PHE  84           HB2      PHE  84  16.405  19.359  -3.822
  680    HB3  PHE  84           HB3      PHE  84  15.722  20.029  -2.357
  681    HD1  PHE  84           HD1      PHE  84  17.288  20.929  -0.554
  682    HD2  PHE  84           HD2      PHE  84  18.709  19.640  -4.418
  683    HE1  PHE  84           HE1      PHE  84  19.457  22.036  -0.137
  684    HE2  PHE  84           HE2      PHE  84  20.870  20.786  -4.008
  685    HZ   PHE  84           HZ       PHE  84  21.256  21.964  -1.853
  686    H    GLY  85           H        GLY  85  18.453  17.945  -0.548
  687    HA2  GLY  85           HA2      GLY  85  17.275  16.878   1.793
  688    HA3  GLY  85           HA3      GLY  85  18.880  17.610   1.705
  689    H    GLY  86           H        GLY  86  17.973  17.877   4.006
  690    HA2  GLY  86           HA2      GLY  86  15.968  19.838   4.590
  691    HA3  GLY  86           HA3      GLY  86  17.111  19.123   5.739
  692    H    CYS  87           H        CYS  87  16.733  21.415   6.555
  693    HA   CYS  87           HA       CYS  87  17.585  23.707   5.143
  694    HB2  CYS  87           HB2      CYS  87  16.113  23.631   7.161
  695    HB3  CYS  87           HB3      CYS  87  17.547  23.310   8.168
  696    HG   CYS  87           HG       CYS  87  18.880  25.482   7.389
  697    H    ASP  88           H        ASP  88  19.540  21.780   7.477
  698    HA   ASP  88           HA       ASP  88  21.841  23.437   7.364
  699    HB2  ASP  88           HB2      ASP  88  21.404  21.680   9.048
  700    HB3  ASP  88           HB3      ASP  88  21.657  20.434   7.822
  701    H    ILE  89           H        ILE  89  20.992  20.588   5.371
  702    HA   ILE  89           HA       ILE  89  23.271  20.654   3.602
  703    HB   ILE  89           HB       ILE  89  20.427  19.638   3.191
  704   HG12  ILE  89          HG12      ILE  89  23.030  18.130   3.718
  705   HG13  ILE  89          HG13      ILE  89  21.856  18.525   4.970
  706   HG21  ILE  89          HG21      ILE  89  22.864  19.225   1.404
  707   HG22  ILE  89          HG22      ILE  89  21.305  18.393   1.224
  708   HG23  ILE  89          HG23      ILE  89  21.392  20.123   0.980
  709   HD11  ILE  89          HD11      ILE  89  21.374  16.660   2.619
  710   HD12  ILE  89          HD12      ILE  89  21.523  16.243   4.330
  711   HD13  ILE  89          HD13      ILE  89  20.126  17.183   3.778
  712    H    THR  90           H        THR  90  20.120  22.293   3.434
  713    HA   THR  90           HA       THR  90  20.513  23.610   0.913
  714    HB   THR  90           HB       THR  90  18.761  24.508   3.241
  715    HG1  THR  90           HG1      THR  90  18.269  22.381   2.592
  716   HG21  THR  90          HG21      THR  90  19.010  26.206   1.425
  717   HG22  THR  90          HG22      THR  90  18.493  24.983   0.240
  718   HG23  THR  90          HG23      THR  90  17.376  25.540   1.501
  719    H    VAL  91           H        VAL  91  21.142  24.754   4.240
  720    HA   VAL  91           HA       VAL  91  22.194  27.304   3.510
  721    HB   VAL  91           HB       VAL  91  22.626  25.540   5.945
  722   HG11  VAL  91          HG11      VAL  91  23.590  27.554   7.084
  723   HG12  VAL  91          HG12      VAL  91  24.659  26.903   5.843
  724   HG13  VAL  91          HG13      VAL  91  23.702  28.363   5.505
  725   HG21  VAL  91          HG21      VAL  91  20.368  26.621   5.579
  726   HG22  VAL  91          HG22      VAL  91  21.178  27.165   7.053
  727   HG23  VAL  91          HG23      VAL  91  21.168  28.199   5.608
  728    H    GLU  92           H        GLU  92  23.950  24.146   3.975
  729    HA   GLU  92           HA       GLU  92  26.538  25.266   3.361
  730    HB2  GLU  92           HB2      GLU  92  25.468  22.421   3.233
  731    HB3  GLU  92           HB3      GLU  92  27.146  22.861   2.891
  732    HG2  GLU  92           HG2      GLU  92  27.287  23.919   5.172
  733    HG3  GLU  92           HG3      GLU  92  25.700  23.238   5.542
  734    H    ALA  93           H        ALA  93  24.078  23.666   1.259
  735    HA   ALA  93           HA       ALA  93  25.670  23.745  -1.122
  736    HB1  ALA  93           HB1      ALA  93  22.653  23.608  -0.689
  737    HB2  ALA  93           HB2      ALA  93  23.502  23.215  -2.202
  738    HB3  ALA  93           HB3      ALA  93  23.765  22.226  -0.756
  739    H    TYR  94           H        TYR  94  23.312  26.097   0.218
  740    HA   TYR  94           HA       TYR  94  23.377  27.984  -1.928
  741    HB2  TYR  94           HB2      TYR  94  21.708  28.017  -0.159
  742    HB3  TYR  94           HB3      TYR  94  22.932  28.267   1.068
  743    HD1  TYR  94           HD1      TYR  94  21.307  29.864  -1.908
  744    HD2  TYR  94           HD2      TYR  94  23.638  30.457   1.674
  745    HE1  TYR  94           HE1      TYR  94  20.998  32.325  -2.112
  746    HE2  TYR  94           HE2      TYR  94  23.342  32.914   1.461
  747    HH   TYR  94           HH       TYR  94  21.462  34.382  -1.214
  748    H    LYS  95           H        LYS  95  25.406  27.765   1.033
  749    HA   LYS  95           HA       LYS  95  27.121  29.995   0.334
  750    HB2  LYS  95           HB2      LYS  95  27.357  27.670   2.296
  751    HB3  LYS  95           HB3      LYS  95  28.576  28.945   2.153
  752    HG2  LYS  95           HG2      LYS  95  26.919  30.672   2.700
  753    HG3  LYS  95           HG3      LYS  95  25.641  29.452   2.822
  754    HD2  LYS  95           HD2      LYS  95  26.846  28.355   4.689
  755    HD3  LYS  95           HD3      LYS  95  28.153  29.558   4.550
  756    HE2  LYS  95           HE2      LYS  95  26.491  31.377   5.001
  757    HE3  LYS  95           HE3      LYS  95  25.229  30.156   5.218
  758    HZ1  LYS  95           HZ1      LYS  95  26.529  29.266   7.091
  759    HZ2  LYS  95           HZ2      LYS  95  27.674  30.419   6.890
  760    HZ3  LYS  95           HZ3      LYS  95  26.164  30.840   7.342
  761    H    SER  96           H        SER  96  27.375  26.495  -0.319
  762    HA   SER  96           HA       SER  96  30.070  26.724  -1.447
  763    HB2  SER  96           HB2      SER  96  28.075  24.442  -1.656
  764    HB3  SER  96           HB3      SER  96  29.820  24.370  -1.965
  765    HG   SER  96           HG       SER  96  28.430  24.738   0.478
  766    H    GLY  97           H        GLY  97  26.933  27.345  -2.750
  767    HA2  GLY  97           HA2      GLY  97  26.542  28.337  -4.865
  768    HA3  GLY  97           HA3      GLY  97  28.049  27.634  -5.497
  769    H    GLU  98           H        GLU  98  26.623  25.145  -3.920
  770    HA   GLU  98           HA       GLU  98  26.022  23.775  -6.393
  771    HB2  GLU  98           HB2      GLU  98  25.524  22.887  -3.520
  772    HB3  GLU  98           HB3      GLU  98  25.558  21.854  -4.951
  773    HG2  GLU  98           HG2      GLU  98  27.971  22.562  -5.311
  774    HG3  GLU  98           HG3      GLU  98  27.896  23.380  -3.738
  775    H    LEU  99           H        LEU  99  23.975  25.139  -3.777
  776    HA   LEU  99           HA       LEU  99  21.473  24.218  -4.954
  777    HB2  LEU  99           HB2      LEU  99  21.714  24.931  -2.559
  778    HB3  LEU  99           HB3      LEU  99  22.055  26.576  -3.097
  779    HG   LEU  99           HG       LEU  99  19.736  26.635  -4.142
  780   HD11  LEU  99          HD11      LEU  99  19.339  24.074  -2.535
  781   HD12  LEU  99          HD12      LEU  99  18.070  24.996  -3.368
  782   HD13  LEU  99          HD13      LEU  99  19.328  24.178  -4.311
  783   HD21  LEU  99          HD21      LEU  99  20.171  27.710  -2.018
  784   HD22  LEU  99          HD22      LEU  99  18.591  26.914  -1.947
  785   HD23  LEU  99          HD23      LEU  99  19.999  26.172  -1.151
  786    H    GLN 100           H        GLN 100  23.406  27.201  -5.225
  787    HA   GLN 100           HA       GLN 100  21.606  28.739  -6.809
  788    HB2  GLN 100           HB2      GLN 100  24.646  28.841  -7.059
  789    HB3  GLN 100           HB3      GLN 100  23.480  30.119  -7.364
  790    HG2  GLN 100           HG2      GLN 100  22.978  30.160  -4.877
  791    HG3  GLN 100           HG3      GLN 100  24.219  28.947  -4.638
  792   HE21  GLN 100          HE22      GLN 100  25.616  30.272  -3.346
  793   HE22  GLN 100          HE21      GLN 100  26.467  31.627  -4.077
  794    H    GLU 101           H        GLU 101  24.329  26.632  -7.844
  795    HA   GLU 101           HA       GLU 101  23.891  26.736 -10.633
  796    HB2  GLU 101           HB2      GLU 101  25.147  24.731  -8.729
  797    HB3  GLU 101           HB3      GLU 101  25.072  24.398 -10.459
  798    HG2  GLU 101           HG2      GLU 101  26.349  26.906  -9.291
  799    HG3  GLU 101           HG3      GLU 101  27.233  25.421  -9.632
  800    H    GLN 102           H        GLN 102  22.648  24.245  -8.261
  801    HA   GLN 102           HA       GLN 102  21.258  22.819 -10.315
  802    HB2  GLN 102           HB2      GLN 102  21.013  22.814  -7.289
  803    HB3  GLN 102           HB3      GLN 102  20.050  21.761  -8.333
  804    HG2  GLN 102           HG2      GLN 102  22.000  20.680  -9.256
  805    HG3  GLN 102           HG3      GLN 102  23.095  21.831  -8.482
  806   HE21  GLN 102          HE22      GLN 102  23.113  21.860  -6.069
  807   HE22  GLN 102          HE21      GLN 102  22.896  20.303  -5.244
  808    H    VAL 103           H        VAL 103  20.066  25.411  -8.102
  809    HA   VAL 103           HA       VAL 103  17.324  25.199  -8.943
  810    HB   VAL 103           HB       VAL 103  18.890  27.500  -7.738
  811   HG11  VAL 103          HG11      VAL 103  16.682  28.597  -7.296
  812   HG12  VAL 103          HG12      VAL 103  17.085  28.569  -9.008
  813   HG13  VAL 103          HG13      VAL 103  15.902  27.411  -8.358
  814   HG21  VAL 103          HG21      VAL 103  18.387  25.487  -6.298
  815   HG22  VAL 103          HG22      VAL 103  17.586  26.962  -5.731
  816   HG23  VAL 103          HG23      VAL 103  16.660  25.733  -6.615
  817    H    GLU 104           H        GLU 104  20.053  27.242 -10.251
  818    HA   GLU 104           HA       GLU 104  18.467  28.492 -12.264
  819    HB2  GLU 104           HB2      GLU 104  21.442  27.907 -11.987
  820    HB3  GLU 104           HB3      GLU 104  20.791  28.713 -13.408
  821    HG2  GLU 104           HG2      GLU 104  20.369  29.749 -10.577
  822    HG3  GLU 104           HG3      GLU 104  21.686  30.255 -11.634
  823    H    LYS 105           H        LYS 105  20.515  25.505 -12.418
  824    HA   LYS 105           HA       LYS 105  19.929  24.934 -15.160
  825    HB2  LYS 105           HB2      LYS 105  20.871  23.225 -12.826
  826    HB3  LYS 105           HB3      LYS 105  20.683  22.583 -14.464
  827    HG2  LYS 105           HG2      LYS 105  22.280  24.167 -15.373
  828    HG3  LYS 105           HG3      LYS 105  22.418  25.014 -13.831
  829    HD2  LYS 105           HD2      LYS 105  23.361  22.968 -12.776
  830    HD3  LYS 105           HD3      LYS 105  23.275  22.135 -14.346
  831    HE2  LYS 105           HE2      LYS 105  24.748  23.877 -15.344
  832    HE3  LYS 105           HE3      LYS 105  24.810  24.723 -13.789
  833    HZ1  LYS 105           HZ1      LYS 105  25.913  22.767 -12.846
  834    HZ2  LYS 105           HZ2      LYS 105  25.875  21.996 -14.296
  835    HZ3  LYS 105           HZ3      LYS 105  26.763  23.358 -14.101
  836    H    ALA 106           H        ALA 106  18.187  23.928 -12.176
  837    HA   ALA 106           HA       ALA 106  16.269  22.268 -13.524
  838    HB1  ALA 106           HB1      ALA 106  14.992  22.496 -11.428
  839    HB2  ALA 106           HB2      ALA 106  16.700  22.160 -11.103
  840    HB3  ALA 106           HB3      ALA 106  16.070  23.809 -10.896
  841    H    MET 107           H        MET 107  16.270  25.810 -12.882
  842    HA   MET 107           HA       MET 107  13.581  26.243 -13.862
  843    HB2  MET 107           HB2      MET 107  15.973  28.101 -13.537
  844    HB3  MET 107           HB3      MET 107  14.390  28.639 -14.108
  845    HG2  MET 107           HG2      MET 107  14.877  27.268 -11.441
  846    HG3  MET 107           HG3      MET 107  14.763  29.006 -11.677
  847    HE1  MET 107           HE1      MET 107  13.018  29.128  -9.756
  848    HE2  MET 107           HE2      MET 107  11.588  28.079  -9.637
  849    HE3  MET 107           HE3      MET 107  13.222  27.379  -9.557
  850    H    CYS 108           H        CYS 108  16.798  26.402 -15.504
  851    HA   CYS 108           HA       CYS 108  15.772  26.971 -18.120
  852    HB2  CYS 108           HB2      CYS 108  18.261  25.452 -17.198
  853    HB3  CYS 108           HB3      CYS 108  17.947  25.929 -18.875
  854    HG   CYS 108           HG       CYS 108  17.684  28.522 -18.388
  855    H    SER 109           H        SER 109  16.473  23.892 -16.565
  856    HA   SER 109           HA       SER 109  15.023  22.028 -16.477
  857    HB2  SER 109           HB2      SER 109  14.535  22.258 -19.468
  858    HB3  SER 109           HB3      SER 109  13.845  21.079 -18.344
  859    HG   SER 109           HG       SER 109  13.460  23.864 -18.485
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  -3.392   1.791  -5.853
    2    H2   MET   1           H2       MET   1  -1.912   1.081  -5.743
    3    H3   MET   1           H3       MET   1  -3.054   0.463  -6.737
    4    HA   MET   1           HA       MET   1  -4.479  -0.134  -4.942
    5    HB2  MET   1           HB2      MET   1  -2.846  -1.799  -5.738
    6    HB3  MET   1           HB3      MET   1  -1.671  -1.264  -4.538
    7    HG2  MET   1           HG2      MET   1  -3.248  -1.925  -2.728
    8    HG3  MET   1           HG3      MET   1  -4.425  -2.424  -3.949
    9    HE1  MET   1           HE1      MET   1  -3.331  -5.819  -2.346
   10    HE2  MET   1           HE2      MET   1  -3.510  -4.256  -1.521
   11    HE3  MET   1           HE3      MET   1  -4.692  -4.752  -2.759
   12    H    ALA   2           H        ALA   2  -1.380   0.303  -3.069
   13    HA   ALA   2           HA       ALA   2  -2.802   1.168  -0.729
   14    HB1  ALA   2           HB1      ALA   2   0.150   1.441  -1.495
   15    HB2  ALA   2           HB2      ALA   2  -0.525   1.601   0.135
   16    HB3  ALA   2           HB3      ALA   2  -0.600   0.037  -0.692
   17    H    LEU   3           H        LEU   3  -1.040   2.974  -3.239
   18    HA   LEU   3           HA       LEU   3  -2.067   5.594  -2.252
   19    HB2  LEU   3           HB2      LEU   3  -0.332   4.961  -4.680
   20    HB3  LEU   3           HB3      LEU   3  -0.655   6.554  -4.007
   21    HG   LEU   3           HG       LEU   3   0.982   4.341  -2.684
   22   HD11  LEU   3          HD11      LEU   3   2.034   5.437  -4.656
   23   HD12  LEU   3          HD12      LEU   3   1.848   7.019  -3.865
   24   HD13  LEU   3          HD13      LEU   3   2.894   5.766  -3.151
   25   HD21  LEU   3          HD21      LEU   3   1.580   6.025  -0.994
   26   HD22  LEU   3          HD22      LEU   3   0.459   7.195  -1.728
   27   HD23  LEU   3          HD23      LEU   3  -0.154   5.712  -0.960
   28    H    THR   4           H        THR   4  -3.363   6.937  -3.663
   29    HA   THR   4           HA       THR   4  -5.170   5.480  -5.459
   30    HB   THR   4           HB       THR   4  -6.263   7.678  -5.777
   31    HG1  THR   4           HG1      THR   4  -5.497   9.372  -4.404
   32   HG21  THR   4          HG21      THR   4  -7.134   7.936  -3.510
   33   HG22  THR   4          HG22      THR   4  -6.934   6.214  -3.875
   34   HG23  THR   4          HG23      THR   4  -5.758   7.044  -2.831
   35    HA   PRO   5           HA       PRO   5  -2.960   6.405  -9.264
   36    HB2  PRO   5           HB2      PRO   5  -5.672   7.173 -10.359
   37    HB3  PRO   5           HB3      PRO   5  -4.425   6.114 -11.080
   38    HG2  PRO   5           HG2      PRO   5  -6.600   5.031  -9.884
   39    HG3  PRO   5           HG3      PRO   5  -4.974   4.329  -9.571
   40    HD2  PRO   5           HD2      PRO   5  -6.546   6.266  -7.848
   41    HD3  PRO   5           HD3      PRO   5  -5.675   4.774  -7.381
   42    H    ALA   6           H        ALA   6  -5.294   8.753  -7.949
   43    HA   ALA   6           HA       ALA   6  -4.395  11.043  -9.420
   44    HB1  ALA   6           HB1      ALA   6  -6.627  10.828  -8.385
   45    HB2  ALA   6           HB2      ALA   6  -5.886  10.801  -6.764
   46    HB3  ALA   6           HB3      ALA   6  -5.769  12.256  -7.772
   47    H    LEU   7           H        LEU   7  -3.002   9.478  -6.568
   48    HA   LEU   7           HA       LEU   7  -1.974  11.796  -5.299
   49    HB2  LEU   7           HB2      LEU   7  -2.343   9.482  -4.349
   50    HB3  LEU   7           HB3      LEU   7  -0.903   8.927  -5.167
   51    HG   LEU   7           HG       LEU   7  -0.628   9.347  -2.764
   52   HD11  LEU   7          HD11      LEU   7   1.355   9.542  -4.259
   53   HD12  LEU   7          HD12      LEU   7   1.119  11.303  -4.292
   54   HD13  LEU   7          HD13      LEU   7   1.479  10.480  -2.766
   55   HD21  LEU   7          HD21      LEU   7  -0.660  11.534  -1.775
   56   HD22  LEU   7          HD22      LEU   7  -0.943  12.319  -3.342
   57   HD23  LEU   7          HD23      LEU   7  -2.205  11.300  -2.606
   58    H    LYS   8           H        LYS   8   0.002   9.391  -7.119
   59    HA   LYS   8           HA       LYS   8   2.291  11.132  -7.278
   60    HB2  LYS   8           HB2      LYS   8   1.516   8.635  -8.850
   61    HB3  LYS   8           HB3      LYS   8   3.091   9.435  -8.952
   62    HG2  LYS   8           HG2      LYS   8   3.493   9.067  -6.551
   63    HG3  LYS   8           HG3      LYS   8   1.889   8.354  -6.359
   64    HD2  LYS   8           HD2      LYS   8   3.510   6.589  -6.425
   65    HD3  LYS   8           HD3      LYS   8   2.497   6.498  -7.871
   66    HE2  LYS   8           HE2      LYS   8   4.309   7.588  -9.201
   67    HE3  LYS   8           HE3      LYS   8   5.296   7.729  -7.735
   68    HZ1  LYS   8           HZ1      LYS   8   5.930   5.779  -9.010
   69    HZ2  LYS   8           HZ2      LYS   8   5.290   5.285  -7.581
   70    HZ3  LYS   8           HZ3      LYS   8   4.412   5.171  -8.962
   71    H    THR   9           H        THR   9  -0.487  10.741  -9.449
   72    HA   THR   9           HA       THR   9   0.345  12.328 -11.636
   73    HB   THR   9           HB       THR   9  -2.374  11.844 -10.472
   74    HG1  THR   9           HG1      THR   9  -2.065   9.911 -11.209
   75   HG21  THR   9          HG21      THR   9  -1.465  12.688 -13.235
   76   HG22  THR   9          HG22      THR   9  -3.120  12.161 -12.827
   77   HG23  THR   9          HG23      THR   9  -2.463  13.638 -12.103
   78    H    THR  10           H        THR  10  -1.330  13.276  -8.577
   79    HA   THR  10           HA       THR  10  -1.496  16.085  -9.202
   80    HB   THR  10           HB       THR  10  -1.434  14.702  -6.481
   81    HG1  THR  10           HG1      THR  10  -3.134  14.007  -7.689
   82   HG21  THR  10          HG21      THR  10  -1.009  17.104  -6.211
   83   HG22  THR  10          HG22      THR  10  -2.341  17.497  -7.323
   84   HG23  THR  10          HG23      THR  10  -2.677  16.749  -5.745
   85    H    LEU  11           H        LEU  11   0.956  14.188  -7.374
   86    HA   LEU  11           HA       LEU  11   2.706  16.355  -6.795
   87    HB2  LEU  11           HB2      LEU  11   3.315  13.416  -7.362
   88    HB3  LEU  11           HB3      LEU  11   4.483  14.570  -6.733
   89    HG   LEU  11           HG       LEU  11   1.906  13.783  -5.305
   90   HD11  LEU  11          HD11      LEU  11   4.803  12.986  -4.797
   91   HD12  LEU  11          HD12      LEU  11   3.413  12.555  -3.774
   92   HD13  LEU  11          HD13      LEU  11   3.530  11.920  -5.426
   93   HD21  LEU  11          HD21      LEU  11   4.264  15.527  -4.489
   94   HD22  LEU  11          HD22      LEU  11   2.567  16.039  -4.644
   95   HD23  LEU  11          HD23      LEU  11   3.035  14.930  -3.360
   96    H    ASP  12           H        ASP  12   2.781  14.219  -9.711
   97    HA   ASP  12           HA       ASP  12   4.851  15.594 -11.069
   98    HB2  ASP  12           HB2      ASP  12   3.954  13.405 -11.734
   99    HB3  ASP  12           HB3      ASP  12   2.425  14.154 -12.207
  100    H    LYS  13           H        LYS  13   1.272  16.204 -11.307
  101    HA   LYS  13           HA       LYS  13   1.500  18.478 -13.015
  102    HB2  LYS  13           HB2      LYS  13  -0.603  17.642 -10.975
  103    HB3  LYS  13           HB3      LYS  13  -0.800  19.044 -12.022
  104    HG2  LYS  13           HG2      LYS  13  -0.357  16.218 -13.086
  105    HG3  LYS  13           HG3      LYS  13  -1.942  16.951 -12.812
  106    HD2  LYS  13           HD2      LYS  13  -1.375  18.764 -14.424
  107    HD3  LYS  13           HD3      LYS  13   0.186  17.970 -14.748
  108    HE2  LYS  13           HE2      LYS  13  -1.004  15.910 -15.470
  109    HE3  LYS  13           HE3      LYS  13  -2.557  16.692 -15.145
  110    HZ1  LYS  13           HZ1      LYS  13  -2.020  18.331 -16.866
  111    HZ2  LYS  13           HZ2      LYS  13  -0.578  17.609 -17.164
  112    HZ3  LYS  13           HZ3      LYS  13  -1.975  16.823 -17.491
  113    H    VAL  14           H        VAL  14   1.577  18.353  -9.434
  114    HA   VAL  14           HA       VAL  14   1.872  21.173  -9.071
  115    HB   VAL  14           HB       VAL  14   2.645  18.866  -7.359
  116   HG11  VAL  14          HG11      VAL  14   4.270  20.571  -6.737
  117   HG12  VAL  14          HG12      VAL  14   3.003  21.817  -6.700
  118   HG13  VAL  14          HG13      VAL  14   3.021  20.512  -5.492
  119   HG21  VAL  14          HG21      VAL  14   0.790  19.639  -5.958
  120   HG22  VAL  14          HG22      VAL  14   0.567  21.070  -6.990
  121   HG23  VAL  14          HG23      VAL  14   0.214  19.454  -7.622
  122    H    VAL  15           H        VAL  15   4.372  18.604  -9.414
  123    HA   VAL  15           HA       VAL  15   6.656  20.231  -9.248
  124    HB   VAL  15           HB       VAL  15   6.087  17.589 -10.477
  125   HG11  VAL  15          HG11      VAL  15   8.524  17.202 -10.803
  126   HG12  VAL  15          HG12      VAL  15   7.865  18.386 -11.939
  127   HG13  VAL  15          HG13      VAL  15   8.810  18.933 -10.526
  128   HG21  VAL  15          HG21      VAL  15   7.918  18.430  -8.197
  129   HG22  VAL  15          HG22      VAL  15   6.254  17.853  -7.981
  130   HG23  VAL  15          HG23      VAL  15   7.482  16.771  -8.647
  131    H    THR  16           H        THR  16   4.658  19.550 -12.185
  132    HA   THR  16           HA       THR  16   6.450  21.147 -13.873
  133    HB   THR  16           HB       THR  16   4.755  20.746 -15.624
  134    HG1  THR  16           HG1      THR  16   3.044  19.371 -15.118
  135   HG21  THR  16          HG21      THR  16   6.584  19.125 -15.253
  136   HG22  THR  16          HG22      THR  16   5.588  18.239 -14.081
  137   HG23  THR  16          HG23      THR  16   5.105  18.314 -15.788
  138    H    SER  17           H        SER  17   3.370  21.744 -12.201
  139    HA   SER  17           HA       SER  17   2.888  24.317 -13.422
  140    HB2  SER  17           HB2      SER  17   2.009  23.309 -10.685
  141    HB3  SER  17           HB3      SER  17   1.367  24.721 -11.540
  142    HG   SER  17           HG       SER  17   1.170  21.982 -12.244
  143    H    HIS  18           H        HIS  18   4.732  23.400 -10.495
  144    HA   HIS  18           HA       HIS  18   6.067  26.068 -10.530
  145    HB2  HIS  18           HB2      HIS  18   5.072  24.641  -8.016
  146    HB3  HIS  18           HB3      HIS  18   5.993  26.138  -8.075
  147    HD1  HIS  18           HD1      HIS  18   4.569  28.374  -8.764
  148    HD2  HIS  18           HD2      HIS  18   2.443  24.751  -8.505
  149    HE1  HIS  18           HE1      HIS  18   2.102  28.990  -8.805
  150    H    LYS  19           H        LYS  19   8.203  25.495 -11.011
  151    HA   LYS  19           HA       LYS  19   9.005  22.794 -10.844
  152    HB2  LYS  19           HB2      LYS  19  10.628  25.317 -11.303
  153    HB3  LYS  19           HB3      LYS  19  11.328  23.687 -11.340
  154    HG2  LYS  19           HG2      LYS  19   9.501  23.059 -13.027
  155    HG3  LYS  19           HG3      LYS  19   9.149  24.789 -13.163
  156    HD2  LYS  19           HD2      LYS  19  11.482  25.199 -13.910
  157    HD3  LYS  19           HD3      LYS  19  11.855  23.468 -13.684
  158    HE2  LYS  19           HE2      LYS  19   9.952  22.967 -15.317
  159    HE3  LYS  19           HE3      LYS  19   9.902  24.702 -15.678
  160    HZ1  LYS  19           HZ1      LYS  19  12.306  24.470 -16.337
  161    HZ2  LYS  19           HZ2      LYS  19  12.183  22.845 -16.128
  162    HZ3  LYS  19           HZ3      LYS  19  11.290  23.583 -17.275
  163    H    VAL  20           H        VAL  20   9.502  25.266  -8.365
  164    HA   VAL  20           HA       VAL  20  11.054  23.309  -6.709
  165    HB   VAL  20           HB       VAL  20  10.186  26.164  -6.222
  166   HG11  VAL  20          HG11      VAL  20  11.521  24.311  -4.211
  167   HG12  VAL  20          HG12      VAL  20  11.234  26.063  -4.006
  168   HG13  VAL  20          HG13      VAL  20   9.879  24.947  -4.063
  169   HG21  VAL  20          HG21      VAL  20  12.925  24.834  -6.247
  170   HG22  VAL  20          HG22      VAL  20  12.242  25.820  -7.557
  171   HG23  VAL  20          HG23      VAL  20  12.599  26.558  -5.989
  172    H    VAL  21           H        VAL  21  10.129  22.027  -5.199
  173    HA   VAL  21           HA       VAL  21   7.371  22.679  -4.247
  174    HB   VAL  21           HB       VAL  21   8.307  19.842  -4.842
  175   HG11  VAL  21          HG11      VAL  21   5.588  21.025  -4.115
  176   HG12  VAL  21          HG12      VAL  21   5.885  19.322  -4.518
  177   HG13  VAL  21          HG13      VAL  21   6.596  20.019  -3.055
  178   HG21  VAL  21          HG21      VAL  21   8.035  20.914  -7.005
  179   HG22  VAL  21          HG22      VAL  21   6.634  19.885  -6.700
  180   HG23  VAL  21          HG23      VAL  21   6.492  21.639  -6.497
  181    H    LEU  22           H        LEU  22   7.295  22.834  -2.120
  182    HA   LEU  22           HA       LEU  22   9.360  21.492  -0.391
  183    HB2  LEU  22           HB2      LEU  22   7.504  23.886  -0.036
  184    HB3  LEU  22           HB3      LEU  22   8.096  22.999   1.355
  185    HG   LEU  22           HG       LEU  22   9.354  25.000   0.995
  186   HD11  LEU  22          HD11      LEU  22  11.567  24.100   1.260
  187   HD12  LEU  22          HD12      LEU  22  10.430  22.970   2.003
  188   HD13  LEU  22          HD13      LEU  22  11.134  22.606   0.411
  189   HD21  LEU  22          HD21      LEU  22   9.189  25.187  -1.470
  190   HD22  LEU  22          HD22      LEU  22  10.845  25.378  -0.878
  191   HD23  LEU  22          HD23      LEU  22  10.355  23.854  -1.637
  192    H    PHE  23           H        PHE  23   8.786  19.711   0.608
  193    HA   PHE  23           HA       PHE  23   5.908  19.046   1.074
  194    HB2  PHE  23           HB2      PHE  23   8.438  17.352   1.258
  195    HB3  PHE  23           HB3      PHE  23   6.804  16.777   1.563
  196    HD1  PHE  23           HD1      PHE  23   5.077  17.525  -0.467
  197    HD2  PHE  23           HD2      PHE  23   9.302  16.748  -0.855
  198    HE1  PHE  23           HE1      PHE  23   4.790  17.178  -2.900
  199    HE2  PHE  23           HE2      PHE  23   8.990  16.318  -3.280
  200    HZ   PHE  23           HZ       PHE  23   6.746  16.553  -4.315
  201    H    MET  24           H        MET  24   5.135  19.653   3.009
  202    HA   MET  24           HA       MET  24   6.870  19.727   5.416
  203    HB2  MET  24           HB2      MET  24   6.406  22.203   5.661
  204    HB3  MET  24           HB3      MET  24   7.479  21.760   4.337
  205    HG2  MET  24           HG2      MET  24   5.534  21.940   2.746
  206    HG3  MET  24           HG3      MET  24   4.540  22.546   4.068
  207    HE1  MET  24           HE1      MET  24   5.764  24.583   5.639
  208    HE2  MET  24           HE2      MET  24   5.880  26.083   4.671
  209    HE3  MET  24           HE3      MET  24   4.404  25.093   4.597
  210    H    LYS  25           H        LYS  25   5.813  20.396   7.388
  211    HA   LYS  25           HA       LYS  25   3.145  19.181   7.598
  212    HB2  LYS  25           HB2      LYS  25   4.955  20.460   9.695
  213    HB3  LYS  25           HB3      LYS  25   3.497  19.505  10.008
  214    HG2  LYS  25           HG2      LYS  25   4.600  17.569   8.791
  215    HG3  LYS  25           HG3      LYS  25   6.099  18.501   8.775
  216    HD2  LYS  25           HD2      LYS  25   4.554  17.656  11.266
  217    HD3  LYS  25           HD3      LYS  25   6.006  16.870  10.630
  218    HE2  LYS  25           HE2      LYS  25   7.310  18.955  10.957
  219    HE3  LYS  25           HE3      LYS  25   5.862  19.766  11.593
  220    HZ1  LYS  25           HZ1      LYS  25   7.274  18.937  13.386
  221    HZ2  LYS  25           HZ2      LYS  25   5.837  18.159  13.416
  222    HZ3  LYS  25           HZ3      LYS  25   7.168  17.400  12.838
  223    H    GLY  26           H        GLY  26   4.387  22.383   7.330
  224    HA2  GLY  26           HA2      GLY  26   1.918  23.792   8.193
  225    HA3  GLY  26           HA3      GLY  26   3.356  24.518   7.446
  226    H    THR  27           H        THR  27   1.469  25.657   6.309
  227    HA   THR  27           HA       THR  27   0.772  24.226   3.762
  228    HB   THR  27           HB       THR  27  -1.378  25.339   3.741
  229    HG1  THR  27           HG1      THR  27  -1.926  26.518   5.734
  230   HG21  THR  27          HG21      THR  27  -1.263  23.215   5.076
  231   HG22  THR  27          HG22      THR  27  -1.066  24.194   6.547
  232   HG23  THR  27          HG23      THR  27  -2.545  24.322   5.581
  233    H    LYS  28           H        LYS  28   0.101  25.868   2.037
  234    HA   LYS  28           HA       LYS  28   2.087  27.954   1.727
  235    HB2  LYS  28           HB2      LYS  28   1.011  28.397  -0.357
  236    HB3  LYS  28           HB3      LYS  28   1.100  26.651  -0.134
  237    HG2  LYS  28           HG2      LYS  28  -1.325  26.712   0.656
  238    HG3  LYS  28           HG3      LYS  28  -1.371  28.412   0.168
  239    HD2  LYS  28           HD2      LYS  28  -0.738  26.046  -1.653
  240    HD3  LYS  28           HD3      LYS  28  -2.294  26.886  -1.564
  241    HE2  LYS  28           HE2      LYS  28  -1.252  28.984  -2.346
  242    HE3  LYS  28           HE3      LYS  28   0.340  28.198  -2.376
  243    HZ1  LYS  28           HZ1      LYS  28  -1.953  27.341  -4.050
  244    HZ2  LYS  28           HZ2      LYS  28  -0.691  28.244  -4.573
  245    HZ3  LYS  28           HZ3      LYS  28  -0.433  26.706  -4.082
  246    H    ASP  29           H        ASP  29  -1.003  27.929   3.283
  247    HA   ASP  29           HA       ASP  29  -1.373  30.859   3.233
  248    HB2  ASP  29           HB2      ASP  29  -3.282  29.287   3.158
  249    HB3  ASP  29           HB3      ASP  29  -2.831  28.657   4.742
  250    H    PHE  30           H        PHE  30  -0.096  28.367   5.424
  251    HA   PHE  30           HA       PHE  30   1.157  30.447   7.093
  252    HB2  PHE  30           HB2      PHE  30  -0.985  30.012   8.182
  253    HB3  PHE  30           HB3      PHE  30  -0.649  28.289   8.224
  254    HD1  PHE  30           HD2      PHE  30   0.640  31.615   9.405
  255    HD2  PHE  30           HD1      PHE  30   0.571  27.348  10.065
  256    HE1  PHE  30           HE2      PHE  30   1.812  31.926  11.573
  257    HE2  PHE  30           HE1      PHE  30   1.739  27.668  12.228
  258    HZ   PHE  30           HZ       PHE  30   2.362  29.952  12.988
  259    HA   PRO  31           HA       PRO  31   4.066  27.011   6.246
  260    HB2  PRO  31           HB2      PRO  31   6.404  28.427   6.231
  261    HB3  PRO  31           HB3      PRO  31   5.237  28.479   4.871
  262    HG2  PRO  31           HG2      PRO  31   5.515  30.449   7.164
  263    HG3  PRO  31           HG3      PRO  31   5.431  30.799   5.406
  264    HD2  PRO  31           HD2      PRO  31   3.240  30.928   7.035
  265    HD3  PRO  31           HD3      PRO  31   3.107  30.367   5.339
  266    H    GLN  32           H        GLN  32   5.949  26.120   7.488
  267    HA   GLN  32           HA       GLN  32   5.651  26.582  10.399
  268    HB2  GLN  32           HB2      GLN  32   6.874  24.549  10.729
  269    HB3  GLN  32           HB3      GLN  32   5.520  24.265   9.636
  270    HG2  GLN  32           HG2      GLN  32   7.114  24.311   7.695
  271    HG3  GLN  32           HG3      GLN  32   8.457  24.535   8.825
  272   HE21  GLN  32          HE22      GLN  32   8.844  22.711  10.445
  273   HE22  GLN  32          HE21      GLN  32   8.381  21.101   9.921
  274    H    CYS  33           H        CYS  33   7.267  27.364  11.665
  275    HA   CYS  33           HA       CYS  33   9.149  29.133  10.419
  276    HB2  CYS  33           HB2      CYS  33   9.719  29.752  12.734
  277    HB3  CYS  33           HB3      CYS  33   7.975  29.719  12.479
  278    HG   CYS  33           HG       CYS  33   8.532  28.800  14.891
  279    H    GLY  34           H        GLY  34  11.425  29.292  10.884
  280    HA2  GLY  34           HA2      GLY  34  13.610  28.458  11.094
  281    HA3  GLY  34           HA3      GLY  34  12.964  26.873  11.566
  282    H    PHE  35           H        PHE  35  12.840  25.293  10.065
  283    HA   PHE  35           HA       PHE  35  14.569  25.375   7.878
  284    HB2  PHE  35           HB2      PHE  35  12.459  23.438   8.853
  285    HB3  PHE  35           HB3      PHE  35  13.150  23.193   7.264
  286    HD1  PHE  35           HD2      PHE  35  15.093  24.436  10.257
  287    HD2  PHE  35           HD1      PHE  35  14.241  21.149   7.582
  288    HE1  PHE  35           HE2      PHE  35  17.044  23.207  11.138
  289    HE2  PHE  35           HE1      PHE  35  16.193  19.923   8.480
  290    HZ   PHE  35           HZ       PHE  35  17.608  20.949  10.251
  291    H    SER  36           H        SER  36  11.039  24.760   7.353
  292    HA   SER  36           HA       SER  36  11.193  25.215   4.588
  293    HB2  SER  36           HB2      SER  36   8.717  25.654   6.296
  294    HB3  SER  36           HB3      SER  36   8.802  25.181   4.587
  295    HG   SER  36           HG       SER  36   8.535  23.292   5.717
  296    H    GLN  37           H        GLN  37  10.266  27.557   7.141
  297    HA   GLN  37           HA       GLN  37   9.708  29.843   5.614
  298    HB2  GLN  37           HB2      GLN  37   9.370  29.614   8.016
  299    HB3  GLN  37           HB3      GLN  37  11.101  29.431   8.295
  300    HG2  GLN  37           HG2      GLN  37  11.462  31.792   7.610
  301    HG3  GLN  37           HG3      GLN  37   9.728  31.960   7.303
  302   HE21  GLN  37          HE22      GLN  37   9.197  33.478   8.970
  303   HE22  GLN  37          HE21      GLN  37   9.468  33.120  10.669
  304    H    THR  38           H        THR  38  12.996  28.736   6.725
  305    HA   THR  38           HA       THR  38  14.422  30.860   5.449
  306    HB   THR  38           HB       THR  38  15.278  28.104   6.424
  307    HG1  THR  38           HG1      THR  38  14.607  29.232   8.112
  308   HG21  THR  38          HG21      THR  38  17.524  29.189   6.588
  309   HG22  THR  38          HG22      THR  38  16.971  28.947   4.926
  310   HG23  THR  38          HG23      THR  38  16.883  30.570   5.657
  311    H    VAL  39           H        VAL  39  13.885  27.436   4.516
  312    HA   VAL  39           HA       VAL  39  15.295  27.613   2.054
  313    HB   VAL  39           HB       VAL  39  13.057  25.718   2.831
  314   HG11  VAL  39          HG11      VAL  39  13.189  25.673   0.397
  315   HG12  VAL  39          HG12      VAL  39  14.962  25.610   0.449
  316   HG13  VAL  39          HG13      VAL  39  13.997  24.232   1.021
  317   HG21  VAL  39          HG21      VAL  39  15.082  25.547   4.250
  318   HG22  VAL  39          HG22      VAL  39  14.917  24.119   3.226
  319   HG23  VAL  39          HG23      VAL  39  16.094  25.385   2.814
  320    H    VAL  40           H        VAL  40  11.771  28.156   2.649
  321    HA   VAL  40           HA       VAL  40  11.049  28.642  -0.063
  322    HB   VAL  40           HB       VAL  40   9.887  29.564   2.579
  323   HG11  VAL  40          HG11      VAL  40   7.844  30.296   1.265
  324   HG12  VAL  40          HG12      VAL  40   9.234  31.377   1.143
  325   HG13  VAL  40          HG13      VAL  40   8.865  30.271  -0.196
  326   HG21  VAL  40          HG21      VAL  40   8.845  27.691   0.394
  327   HG22  VAL  40          HG22      VAL  40   9.651  27.160   1.879
  328   HG23  VAL  40          HG23      VAL  40   8.091  27.990   1.977
  329    H    GLN  41           H        GLN  41  12.222  30.997   2.455
  330    HA   GLN  41           HA       GLN  41  12.034  33.279   0.703
  331    HB2  GLN  41           HB2      GLN  41  13.640  32.696   3.222
  332    HB3  GLN  41           HB3      GLN  41  13.733  34.246   2.373
  333    HG2  GLN  41           HG2      GLN  41  11.367  34.670   2.663
  334    HG3  GLN  41           HG3      GLN  41  11.104  33.072   3.365
  335   HE21  GLN  41          HE22      GLN  41  12.294  32.572   5.430
  336   HE22  GLN  41          HE21      GLN  41  12.603  33.913   6.547
  337    H    ILE  42           H        ILE  42  14.794  31.056   1.360
  338    HA   ILE  42           HA       ILE  42  16.721  32.424  -0.250
  339    HB   ILE  42           HB       ILE  42  16.377  29.518   0.583
  340   HG12  ILE  42          HG12      ILE  42  18.422  31.642   1.395
  341   HG13  ILE  42          HG13      ILE  42  16.950  31.296   2.293
  342   HG21  ILE  42          HG21      ILE  42  18.695  29.063  -0.203
  343   HG22  ILE  42          HG22      ILE  42  17.629  29.420  -1.543
  344   HG23  ILE  42          HG23      ILE  42  18.739  30.674  -0.955
  345   HD11  ILE  42          HD11      ILE  42  19.313  29.424   1.907
  346   HD12  ILE  42          HD12      ILE  42  18.719  30.161   3.399
  347   HD13  ILE  42          HD13      ILE  42  17.748  28.912   2.594
  348    H    LEU  43           H        LEU  43  14.538  29.742  -1.233
  349    HA   LEU  43           HA       LEU  43  15.487  29.730  -3.962
  350    HB2  LEU  43           HB2      LEU  43  12.943  28.653  -2.667
  351    HB3  LEU  43           HB3      LEU  43  13.440  28.286  -4.319
  352    HG   LEU  43           HG       LEU  43  15.126  27.610  -1.859
  353   HD11  LEU  43          HD11      LEU  43  13.418  25.754  -3.536
  354   HD12  LEU  43          HD12      LEU  43  14.301  25.388  -2.044
  355   HD13  LEU  43          HD13      LEU  43  12.872  26.438  -1.986
  356   HD21  LEU  43          HD21      LEU  43  16.265  26.046  -3.453
  357   HD22  LEU  43          HD22      LEU  43  15.336  26.759  -4.783
  358   HD23  LEU  43          HD23      LEU  43  16.508  27.742  -3.883
  359    H    LYS  44           H        LYS  44  12.509  31.114  -2.497
  360    HA   LYS  44           HA       LYS  44  11.379  32.222  -4.819
  361    HB2  LYS  44           HB2      LYS  44  10.330  32.152  -2.577
  362    HB3  LYS  44           HB3      LYS  44  11.463  33.391  -1.997
  363    HG2  LYS  44           HG2      LYS  44  10.524  34.986  -3.690
  364    HG3  LYS  44           HG3      LYS  44   9.401  33.724  -4.231
  365    HD2  LYS  44           HD2      LYS  44   8.430  33.631  -1.930
  366    HD3  LYS  44           HD3      LYS  44   9.537  34.930  -1.427
  367    HE2  LYS  44           HE2      LYS  44   8.561  36.429  -3.159
  368    HE3  LYS  44           HE3      LYS  44   7.451  35.148  -3.657
  369    HZ1  LYS  44           HZ1      LYS  44   7.501  36.411  -0.963
  370    HZ2  LYS  44           HZ2      LYS  44   6.388  36.696  -2.120
  371    HZ3  LYS  44           HZ3      LYS  44   6.468  35.224  -1.422
  372    H    SER  45           H        SER  45  13.752  33.761  -2.607
  373    HA   SER  45           HA       SER  45  14.165  36.148  -4.105
  374    HB2  SER  45           HB2      SER  45  16.092  34.813  -2.167
  375    HB3  SER  45           HB3      SER  45  16.063  36.518  -2.649
  376    HG   SER  45           HG       SER  45  14.344  35.071  -0.965
  377    H    LEU  46           H        LEU  46  15.952  33.014  -4.253
  378    HA   LEU  46           HA       LEU  46  17.986  33.820  -6.065
  379    HB2  LEU  46           HB2      LEU  46  17.976  31.729  -4.784
  380    HB3  LEU  46           HB3      LEU  46  16.543  31.170  -5.641
  381    HG   LEU  46           HG       LEU  46  17.798  30.969  -7.729
  382   HD11  LEU  46          HD11      LEU  46  19.489  32.738  -7.471
  383   HD12  LEU  46          HD12      LEU  46  20.197  31.902  -6.084
  384   HD13  LEU  46          HD13      LEU  46  20.289  31.187  -7.713
  385   HD21  LEU  46          HD21      LEU  46  17.672  29.094  -6.090
  386   HD22  LEU  46          HD22      LEU  46  19.142  29.048  -7.072
  387   HD23  LEU  46          HD23      LEU  46  19.216  29.618  -5.388
  388    H    ASN  47           H        ASN  47  14.633  33.182  -6.526
  389    HA   ASN  47           HA       ASN  47  13.356  34.414  -8.015
  390    HB2  ASN  47           HB2      ASN  47  15.301  35.373  -9.258
  391    HB3  ASN  47           HB3      ASN  47  15.323  33.912 -10.256
  392   HD21  ASN  47          HD22      ASN  47  14.979  35.442 -12.069
  393   HD22  ASN  47          HD21      ASN  47  13.347  35.998 -12.396
  394    H    ALA  48           H        ALA  48  12.843  32.094  -6.997
  395    HA   ALA  48           HA       ALA  48  12.432  30.135  -9.243
  396    HB1  ALA  48           HB1      ALA  48  12.564  29.532  -6.280
  397    HB2  ALA  48           HB2      ALA  48  12.565  28.377  -7.620
  398    HB3  ALA  48           HB3      ALA  48  13.954  29.461  -7.393
  399    HA   PRO  49           HA       PRO  49   7.954  30.296  -8.341
  400    HB2  PRO  49           HB2      PRO  49   7.086  28.552 -10.248
  401    HB3  PRO  49           HB3      PRO  49   7.614  30.221 -10.634
  402    HG2  PRO  49           HG2      PRO  49   9.211  27.655 -10.881
  403    HG3  PRO  49           HG3      PRO  49   9.054  28.983 -12.071
  404    HD2  PRO  49           HD2      PRO  49  11.172  28.773 -10.351
  405    HD3  PRO  49           HD3      PRO  49  10.535  30.352 -10.884
  406    H    PHE  50           H        PHE  50   7.175  29.224  -6.627
  407    HA   PHE  50           HA       PHE  50   7.939  26.397  -6.178
  408    HB2  PHE  50           HB2      PHE  50   8.669  26.831  -4.012
  409    HB3  PHE  50           HB3      PHE  50   9.393  28.111  -4.969
  410    HD1  PHE  50           HD2      PHE  50   8.263  30.445  -4.898
  411    HD2  PHE  50           HD1      PHE  50   7.348  27.264  -2.133
  412    HE1  PHE  50           HE2      PHE  50   7.163  32.078  -3.384
  413    HE2  PHE  50           HE1      PHE  50   6.260  28.893  -0.618
  414    HZ   PHE  50           HZ       PHE  50   6.151  31.308  -1.243
  415    H    GLU  51           H        GLU  51   6.704  25.216  -4.579
  416    HA   GLU  51           HA       GLU  51   4.099  26.359  -3.798
  417    HB2  GLU  51           HB2      GLU  51   3.641  25.030  -5.809
  418    HB3  GLU  51           HB3      GLU  51   4.479  23.641  -5.119
  419    HG2  GLU  51           HG2      GLU  51   2.075  23.338  -4.986
  420    HG3  GLU  51           HG3      GLU  51   2.748  23.432  -3.370
  421    H    SER  52           H        SER  52   3.304  25.566  -1.872
  422    HA   SER  52           HA       SER  52   5.255  24.077  -0.118
  423    HB2  SER  52           HB2      SER  52   3.250  26.251   0.551
  424    HB3  SER  52           HB3      SER  52   4.066  25.250   1.759
  425    HG   SER  52           HG       SER  52   5.210  27.198   1.408
  426    H    VAL  53           H        VAL  53   4.536  21.976  -0.432
  427    HA   VAL  53           HA       VAL  53   1.642  21.365  -0.523
  428    HB   VAL  53           HB       VAL  53   4.109  19.612  -0.823
  429   HG11  VAL  53          HG11      VAL  53   2.526  17.849  -1.615
  430   HG12  VAL  53          HG12      VAL  53   2.292  18.231   0.093
  431   HG13  VAL  53          HG13      VAL  53   1.163  18.872  -1.118
  432   HG21  VAL  53          HG21      VAL  53   3.412  19.473  -3.184
  433   HG22  VAL  53          HG22      VAL  53   2.047  20.563  -2.861
  434   HG23  VAL  53          HG23      VAL  53   3.715  21.154  -2.726
  435    H    ASN  54           H        ASN  54   0.529  20.959   1.229
  436    HA   ASN  54           HA       ASN  54   1.717  20.498   3.828
  437    HB2  ASN  54           HB2      ASN  54  -0.351  21.756   3.565
  438    HB3  ASN  54           HB3      ASN  54  -1.159  20.356   2.841
  439   HD21  ASN  54          HD22      ASN  54   0.673  21.264   5.815
  440   HD22  ASN  54          HD21      ASN  54  -0.299  20.283   6.899
  441    H    ILE  55           H        ILE  55   2.385  18.614   4.622
  442    HA   ILE  55           HA       ILE  55   1.205  16.019   3.627
  443    HB   ILE  55           HB       ILE  55   3.339  14.969   3.845
  444   HG12  ILE  55          HG12      ILE  55   4.737  17.542   4.590
  445   HG13  ILE  55          HG13      ILE  55   4.120  16.485   5.849
  446   HG21  ILE  55          HG21      ILE  55   3.738  17.604   2.363
  447   HG22  ILE  55          HG22      ILE  55   4.636  16.118   2.113
  448   HG23  ILE  55          HG23      ILE  55   2.909  16.166   1.728
  449   HD11  ILE  55          HD11      ILE  55   5.473  14.609   4.933
  450   HD12  ILE  55          HD12      ILE  55   6.182  15.737   3.748
  451   HD13  ILE  55          HD13      ILE  55   6.428  15.996   5.481
  452    H    LEU  56           H        LEU  56   2.181  14.266   5.381
  453    HA   LEU  56           HA       LEU  56   2.253  13.359   7.414
  454    HB2  LEU  56           HB2      LEU  56   3.039  16.048   7.942
  455    HB3  LEU  56           HB3      LEU  56   1.844  15.696   9.157
  456    HG   LEU  56           HG       LEU  56   4.017  15.226  10.010
  457   HD11  LEU  56          HD11      LEU  56   3.819  12.947  10.785
  458   HD12  LEU  56          HD12      LEU  56   2.199  13.659  10.688
  459   HD13  LEU  56          HD13      LEU  56   2.749  12.516   9.442
  460   HD21  LEU  56          HD21      LEU  56   5.205  14.910   7.870
  461   HD22  LEU  56          HD22      LEU  56   5.585  13.622   9.027
  462   HD23  LEU  56          HD23      LEU  56   4.474  13.304   7.684
  463    H    GLU  57           H        GLU  57  -0.191  15.972   7.624
  464    HA   GLU  57           HA       GLU  57  -2.143  14.330   9.030
  465    HB2  GLU  57           HB2      GLU  57  -2.082  16.826   9.054
  466    HB3  GLU  57           HB3      GLU  57  -2.561  16.843   7.349
  467    HG2  GLU  57           HG2      GLU  57  -4.681  15.709   7.922
  468    HG3  GLU  57           HG3      GLU  57  -4.179  15.588   9.612
  469    H    ASN  58           H        ASN  58  -1.570  15.175   5.589
  470    HA   ASN  58           HA       ASN  58  -3.660  13.433   4.555
  471    HB2  ASN  58           HB2      ASN  58  -2.858  15.455   3.382
  472    HB3  ASN  58           HB3      ASN  58  -1.268  14.719   3.176
  473   HD21  ASN  58          HD22      ASN  58  -4.012  15.382   1.468
  474   HD22  ASN  58          HD21      ASN  58  -3.994  14.017   0.365
  475    H    GLU  59           H        GLU  59  -3.524  11.299   4.914
  476    HA   GLU  59           HA       GLU  59  -1.093   9.908   5.497
  477    HB2  GLU  59           HB2      GLU  59  -3.304   9.448   6.452
  478    HB3  GLU  59           HB3      GLU  59  -3.895   8.865   4.895
  479    HG2  GLU  59           HG2      GLU  59  -2.571   6.922   4.979
  480    HG3  GLU  59           HG3      GLU  59  -1.459   7.593   6.174
  481    H    LEU  60           H        LEU  60  -2.838  10.289   2.421
  482    HA   LEU  60           HA       LEU  60  -1.468   8.155   1.043
  483    HB2  LEU  60           HB2      LEU  60  -2.807  10.684  -0.018
  484    HB3  LEU  60           HB3      LEU  60  -2.264   9.327  -1.003
  485    HG   LEU  60           HG       LEU  60  -4.446   9.160   1.120
  486   HD11  LEU  60          HD11      LEU  60  -4.613   9.247  -1.923
  487   HD12  LEU  60          HD12      LEU  60  -5.980   9.009  -0.810
  488   HD13  LEU  60          HD13      LEU  60  -5.097  10.546  -0.813
  489   HD21  LEU  60          HD21      LEU  60  -3.340   6.975   0.817
  490   HD22  LEU  60          HD22      LEU  60  -4.940   6.950   0.065
  491   HD23  LEU  60          HD23      LEU  60  -3.493   7.127  -0.951
  492    H    LEU  61           H        LEU  61  -0.833  11.680   1.323
  493    HA   LEU  61           HA       LEU  61   1.666  11.592  -0.133
  494    HB2  LEU  61           HB2      LEU  61   0.513  13.538   1.921
  495    HB3  LEU  61           HB3      LEU  61   2.056  13.811   1.122
  496    HG   LEU  61           HG       LEU  61  -0.589  13.514  -0.373
  497   HD11  LEU  61          HD11      LEU  61  -0.542  15.552   1.036
  498   HD12  LEU  61          HD12      LEU  61   1.008  16.021   0.313
  499   HD13  LEU  61          HD13      LEU  61  -0.461  15.954  -0.684
  500   HD21  LEU  61          HD21      LEU  61   2.189  14.414  -1.273
  501   HD22  LEU  61          HD22      LEU  61   1.359  12.934  -1.795
  502   HD23  LEU  61          HD23      LEU  61   0.717  14.508  -2.266
  503    H    ARG  62           H        ARG  62   0.953  11.270   3.367
  504    HA   ARG  62           HA       ARG  62   3.568  11.136   4.355
  505    HB2  ARG  62           HB2      ARG  62   1.288  11.057   5.583
  506    HB3  ARG  62           HB3      ARG  62   1.339   9.307   5.334
  507    HG2  ARG  62           HG2      ARG  62   3.708   9.463   6.480
  508    HG3  ARG  62           HG3      ARG  62   3.193  11.077   6.973
  509    HD2  ARG  62           HD2      ARG  62   1.918   8.407   7.654
  510    HD3  ARG  62           HD3      ARG  62   2.763   9.493   8.762
  511    HE   ARG  62           HE       ARG  62   0.858  11.164   8.197
  512   HH11  ARG  62          HH11      ARG  62   0.295   7.679   8.586
  513   HH12  ARG  62          HH12      ARG  62  -1.434   7.912   8.707
  514   HH21  ARG  62          HH21      ARG  62  -1.267  11.382   8.538
  515   HH22  ARG  62          HH22      ARG  62  -2.283   9.991   8.863
  516    H    GLN  63           H        GLN  63   1.703   8.528   2.791
  517    HA   GLN  63           HA       GLN  63   3.865   6.526   3.055
  518    HB2  GLN  63           HB2      GLN  63   1.172   6.579   1.624
  519    HB3  GLN  63           HB3      GLN  63   2.248   5.180   1.638
  520    HG2  GLN  63           HG2      GLN  63   2.044   4.916   4.031
  521    HG3  GLN  63           HG3      GLN  63   1.173   6.440   4.203
  522   HE21  GLN  63          HE22      GLN  63  -0.982   6.621   3.156
  523   HE22  GLN  63          HE21      GLN  63  -1.944   5.148   2.958
  524    H    GLY  64           H        GLY  64   2.373   8.395   0.337
  525    HA2  GLY  64           HA2      GLY  64   3.895   7.042  -1.657
  526    HA3  GLY  64           HA3      GLY  64   2.907   8.506  -1.880
  527    H    LEU  65           H        LEU  65   4.595  10.109   0.026
  528    HA   LEU  65           HA       LEU  65   6.517  11.006  -1.933
  529    HB2  LEU  65           HB2      LEU  65   6.059  11.691   0.994
  530    HB3  LEU  65           HB3      LEU  65   7.297  12.483   0.013
  531    HG   LEU  65           HG       LEU  65   4.348  12.473  -0.755
  532   HD11  LEU  65          HD11      LEU  65   5.998  14.592   0.677
  533   HD12  LEU  65          HD12      LEU  65   4.332  14.792   0.084
  534   HD13  LEU  65          HD13      LEU  65   4.677  13.638   1.389
  535   HD21  LEU  65          HD21      LEU  65   5.042  14.379  -2.196
  536   HD22  LEU  65          HD22      LEU  65   6.736  14.107  -1.736
  537   HD23  LEU  65          HD23      LEU  65   5.852  12.889  -2.673
  538    H    LYS  66           H        LYS  66   6.854   8.706   0.712
  539    HA   LYS  66           HA       LYS  66   9.725   8.657   0.778
  540    HB2  LYS  66           HB2      LYS  66   7.691   6.441   1.306
  541    HB3  LYS  66           HB3      LYS  66   9.410   6.386   1.729
  542    HG2  LYS  66           HG2      LYS  66   9.112   8.382   3.194
  543    HG3  LYS  66           HG3      LYS  66   7.376   8.385   2.827
  544    HD2  LYS  66           HD2      LYS  66   7.171   6.096   3.776
  545    HD3  LYS  66           HD3      LYS  66   8.906   6.114   4.174
  546    HE2  LYS  66           HE2      LYS  66   8.536   8.143   5.596
  547    HE3  LYS  66           HE3      LYS  66   6.807   8.079   5.224
  548    HZ1  LYS  66           HZ1      LYS  66   8.336   5.960   6.647
  549    HZ2  LYS  66           HZ2      LYS  66   7.304   7.011   7.350
  550    HZ3  LYS  66           HZ3      LYS  66   6.736   5.885   6.305
  551    H    GLU  67           H        GLU  67   7.392   6.952  -1.338
  552    HA   GLU  67           HA       GLU  67   9.449   5.579  -2.888
  553    HB2  GLU  67           HB2      GLU  67   7.080   4.795  -2.624
  554    HB3  GLU  67           HB3      GLU  67   6.544   6.160  -3.611
  555    HG2  GLU  67           HG2      GLU  67   7.980   5.318  -5.491
  556    HG3  GLU  67           HG3      GLU  67   8.449   3.940  -4.488
  557    H    TYR  68           H        TYR  68   7.426   8.528  -3.397
  558    HA   TYR  68           HA       TYR  68   8.330   9.117  -6.003
  559    HB2  TYR  68           HB2      TYR  68   6.297   9.981  -4.724
  560    HB3  TYR  68           HB3      TYR  68   7.378  11.111  -3.921
  561    HD1  TYR  68           HD1      TYR  68   5.806  10.156  -7.127
  562    HD2  TYR  68           HD2      TYR  68   8.212  13.093  -5.085
  563    HE1  TYR  68           HE1      TYR  68   5.445  11.750  -9.002
  564    HE2  TYR  68           HE2      TYR  68   7.862  14.691  -6.954
  565    HH   TYR  68           HH       TYR  68   5.889  13.843  -9.828
  566    H    SER  69           H        SER  69   9.685  10.183  -2.887
  567    HA   SER  69           HA       SER  69  11.784  11.785  -4.307
  568    HB2  SER  69           HB2      SER  69  12.089  12.955  -2.266
  569    HB3  SER  69           HB3      SER  69  10.362  12.932  -2.637
  570    HG   SER  69           HG       SER  69  10.115  11.269  -1.064
  571    H    SER  70           H        SER  70  11.538   8.842  -2.442
  572    HA   SER  70           HA       SER  70  13.006   7.298  -1.707
  573    HB2  SER  70           HB2      SER  70  15.177   8.825  -3.190
  574    HB3  SER  70           HB3      SER  70  15.305   7.207  -2.507
  575    HG   SER  70           HG       SER  70  14.813   7.207  -4.764
  576    H    TRP  71           H        TRP  71  13.947  10.624  -1.067
  577    HA   TRP  71           HA       TRP  71  15.843  10.068   1.009
  578    HB2  TRP  71           HB2      TRP  71  15.922  12.055  -0.320
  579    HB3  TRP  71           HB3      TRP  71  14.314  12.544   0.185
  580    HD1  TRP  71           HD1      TRP  71  14.053  13.774   2.466
  581    HE1  TRP  71           HE1      TRP  71  15.669  14.890   4.096
  582    HE3  TRP  71           HE3      TRP  71  18.417  11.638   0.845
  583    HZ2  TRP  71           HZ2      TRP  71  18.509  14.927   4.586
  584    HZ3  TRP  71           HZ3      TRP  71  20.569  12.223   1.934
  585    HH2  TRP  71           HH2      TRP  71  20.635  13.873   3.792
  586    HA   PRO  72           HA       PRO  72  12.772   9.519   4.302
  587    HB2  PRO  72           HB2      PRO  72  14.406   8.883   6.365
  588    HB3  PRO  72           HB3      PRO  72  14.167   7.778   4.978
  589    HG2  PRO  72           HG2      PRO  72  16.447   9.728   5.421
  590    HG3  PRO  72           HG3      PRO  72  16.543   8.001   4.954
  591    HD2  PRO  72           HD2      PRO  72  16.642  10.067   3.138
  592    HD3  PRO  72           HD3      PRO  72  15.932   8.470   2.739
  593    H    THR  73           H        THR  73  11.998  10.699   6.006
  594    HA   THR  73           HA       THR  73  11.594  12.257   7.550
  595    HB   THR  73           HB       THR  73  13.198  13.563   8.691
  596    HG1  THR  73           HG1      THR  73  14.749  12.964   6.462
  597   HG21  THR  73          HG21      THR  73  13.233  11.113   9.160
  598   HG22  THR  73          HG22      THR  73  14.563  10.922   7.999
  599   HG23  THR  73          HG23      THR  73  14.793  11.907   9.452
  600    H    PHE  74           H        PHE  74  11.181  14.471   7.938
  601    HA   PHE  74           HA       PHE  74  11.120  16.221   5.550
  602    HB2  PHE  74           HB2      PHE  74   8.724  15.153   7.091
  603    HB3  PHE  74           HB3      PHE  74   8.629  16.509   5.991
  604    HD1  PHE  74           HD2      PHE  74   9.165  16.204   3.533
  605    HD2  PHE  74           HD1      PHE  74   8.732  12.877   6.245
  606    HE1  PHE  74           HE2      PHE  74   8.898  14.660   1.603
  607    HE2  PHE  74           HE1      PHE  74   8.468  11.341   4.319
  608    HZ   PHE  74           HZ       PHE  74   8.571  12.223   1.996
  609    HA   PRO  75           HA       PRO  75   9.452  18.377   5.395
  610    HB2  PRO  75           HB2      PRO  75  10.326  20.932   5.048
  611    HB3  PRO  75           HB3      PRO  75   9.013  20.491   6.183
  612    HG2  PRO  75           HG2      PRO  75  11.945  20.909   6.820
  613    HG3  PRO  75           HG3      PRO  75  10.520  21.620   7.649
  614    HD2  PRO  75           HD2      PRO  75  11.747  19.394   8.613
  615    HD3  PRO  75           HD3      PRO  75   9.968  19.556   8.671
  616    H    GLN  76           H        GLN  76  10.174  18.833   3.227
  617    HA   GLN  76           HA       GLN  76  13.067  18.292   2.700
  618    HB2  GLN  76           HB2      GLN  76  11.745  16.133   2.869
  619    HB3  GLN  76           HB3      GLN  76  10.735  16.714   1.543
  620    HG2  GLN  76           HG2      GLN  76  13.049  16.920   0.254
  621    HG3  GLN  76           HG3      GLN  76  13.628  15.827   1.495
  622   HE21  GLN  76          HE22      GLN  76  11.957  13.762   1.765
  623   HE22  GLN  76          HE21      GLN  76  11.489  13.123   0.191
  624    H    LEU  77           H        LEU  77  13.821  19.132   0.805
  625    HA   LEU  77           HA       LEU  77  12.014  20.811  -0.841
  626    HB2  LEU  77           HB2      LEU  77  13.971  21.901   0.148
  627    HB3  LEU  77           HB3      LEU  77  15.034  20.652  -0.477
  628    HG   LEU  77           HG       LEU  77  14.595  21.407  -2.798
  629   HD11  LEU  77          HD11      LEU  77  13.386  23.459  -3.242
  630   HD12  LEU  77          HD12      LEU  77  12.295  22.272  -2.548
  631   HD13  LEU  77          HD13      LEU  77  12.898  23.585  -1.528
  632   HD21  LEU  77          HD21      LEU  77  16.488  22.350  -1.535
  633   HD22  LEU  77          HD22      LEU  77  15.811  23.528  -2.665
  634   HD23  LEU  77          HD23      LEU  77  15.450  23.647  -0.928
  635    H    TYR  78           H        TYR  78  11.749  20.461  -2.997
  636    HA   TYR  78           HA       TYR  78  13.259  18.357  -4.441
  637    HB2  TYR  78           HB2      TYR  78  11.194  17.377  -3.365
  638    HB3  TYR  78           HB3      TYR  78  10.218  18.512  -4.274
  639    HD1  TYR  78           HD2      TYR  78  10.164  18.328  -6.833
  640    HD2  TYR  78           HD1      TYR  78  11.919  15.328  -4.280
  641    HE1  TYR  78           HE2      TYR  78   9.954  16.655  -8.660
  642    HE2  TYR  78           HE1      TYR  78  11.684  13.640  -6.098
  643    HH   TYR  78           HH       TYR  78  10.136  14.421  -9.229
  644    H    ILE  79           H        ILE  79  13.529  18.862  -6.644
  645    HA   ILE  79           HA       ILE  79  12.032  21.194  -7.707
  646    HB   ILE  79           HB       ILE  79  15.006  21.142  -8.207
  647   HG12  ILE  79          HG12      ILE  79  15.062  23.167  -6.558
  648   HG13  ILE  79          HG13      ILE  79  13.691  22.405  -5.770
  649   HG21  ILE  79          HG21      ILE  79  14.565  23.488  -8.790
  650   HG22  ILE  79          HG22      ILE  79  13.423  22.450  -9.648
  651   HG23  ILE  79          HG23      ILE  79  12.889  23.342  -8.219
  652   HD11  ILE  79          HD11      ILE  79  15.119  20.394  -5.321
  653   HD12  ILE  79          HD12      ILE  79  16.435  21.127  -6.265
  654   HD13  ILE  79          HD13      ILE  79  15.909  21.869  -4.746
  655    H    ASP  80           H        ASP  80  11.196  20.720  -9.532
  656    HA   ASP  80           HA       ASP  80  10.676  20.030 -11.578
  657    HB2  ASP  80           HB2      ASP  80  12.757  21.356 -11.920
  658    HB3  ASP  80           HB3      ASP  80  13.666  19.844 -11.998
  659    H    GLY  81           H        GLY  81  12.720  17.759  -9.982
  660    HA2  GLY  81           HA2      GLY  81  11.455  15.358 -10.794
  661    HA3  GLY  81           HA3      GLY  81  12.764  15.669 -11.921
  662    H    GLU  82           H        GLU  82  13.883  16.973  -9.038
  663    HA   GLU  82           HA       GLU  82  14.896  14.384  -7.950
  664    HB2  GLU  82           HB2      GLU  82  16.565  16.858  -8.587
  665    HB3  GLU  82           HB3      GLU  82  17.114  15.462  -7.653
  666    HG2  GLU  82           HG2      GLU  82  16.645  14.001  -9.658
  667    HG3  GLU  82           HG3      GLU  82  16.326  15.471 -10.592
  668    H    PHE  83           H        PHE  83  15.351  14.356  -5.768
  669    HA   PHE  83           HA       PHE  83  14.233  16.484  -4.051
  670    HB2  PHE  83           HB2      PHE  83  14.373  15.012  -2.327
  671    HB3  PHE  83           HB3      PHE  83  14.070  13.911  -3.655
  672    HD1  PHE  83           HD2      PHE  83  15.963  12.452  -4.507
  673    HD2  PHE  83           HD1      PHE  83  16.458  15.078  -1.121
  674    HE1  PHE  83           HE2      PHE  83  18.098  11.320  -3.931
  675    HE2  PHE  83           HE1      PHE  83  18.595  13.980  -0.574
  676    HZ   PHE  83           HZ       PHE  83  19.425  12.084  -1.973
  677    H    PHE  84           H        PHE  84  15.305  17.441  -2.400
  678    HA   PHE  84           HA       PHE  84  18.243  17.598  -2.524
  679    HB2  PHE  84           HB2      PHE  84  16.922  19.601  -3.662
  680    HB3  PHE  84           HB3      PHE  84  16.634  20.093  -2.006
  681    HD1  PHE  84           HD1      PHE  84  18.565  20.862  -0.588
  682    HD2  PHE  84           HD2      PHE  84  19.109  19.635  -4.686
  683    HE1  PHE  84           HE1      PHE  84  20.853  21.840  -0.593
  684    HE2  PHE  84           HE2      PHE  84  21.379  20.643  -4.691
  685    HZ   PHE  84           HZ       PHE  84  22.255  21.738  -2.641
  686    H    GLY  85           H        GLY  85  19.136  18.142  -0.568
  687    HA2  GLY  85           HA2      GLY  85  18.016  16.874   1.742
  688    HA3  GLY  85           HA3      GLY  85  19.496  17.841   1.721
  689    H    GLY  86           H        GLY  86  18.352  18.019   3.971
  690    HA2  GLY  86           HA2      GLY  86  16.110  19.764   4.336
  691    HA3  GLY  86           HA3      GLY  86  17.280  19.281   5.578
  692    H    CYS  87           H        CYS  87  16.524  21.627   6.124
  693    HA   CYS  87           HA       CYS  87  17.326  23.842   4.554
  694    HB2  CYS  87           HB2      CYS  87  15.674  23.889   6.404
  695    HB3  CYS  87           HB3      CYS  87  16.993  23.714   7.589
  696    HG   CYS  87           HG       CYS  87  18.330  25.877   6.778
  697    H    ASP  88           H        ASP  88  19.181  22.255   7.199
  698    HA   ASP  88           HA       ASP  88  21.378  24.050   7.203
  699    HB2  ASP  88           HB2      ASP  88  20.960  22.335   8.922
  700    HB3  ASP  88           HB3      ASP  88  21.328  21.056   7.763
  701    H    ILE  89           H        ILE  89  20.945  21.034   5.324
  702    HA   ILE  89           HA       ILE  89  23.351  21.228   3.754
  703    HB   ILE  89           HB       ILE  89  20.677  19.881   3.159
  704   HG12  ILE  89          HG12      ILE  89  23.325  18.715   4.148
  705   HG13  ILE  89          HG13      ILE  89  21.952  19.073   5.188
  706   HG21  ILE  89          HG21      ILE  89  21.898  18.574   1.432
  707   HG22  ILE  89          HG22      ILE  89  21.892  20.282   1.039
  708   HG23  ILE  89          HG23      ILE  89  23.356  19.545   1.727
  709   HD11  ILE  89          HD11      ILE  89  22.024  16.975   2.989
  710   HD12  ILE  89          HD12      ILE  89  21.943  16.725   4.734
  711   HD13  ILE  89          HD13      ILE  89  20.560  17.441   3.893
  712    H    THR  90           H        THR  90  20.079  22.509   3.189
  713    HA   THR  90           HA       THR  90  20.559  23.660   0.608
  714    HB   THR  90           HB       THR  90  18.544  24.535   2.719
  715    HG1  THR  90           HG1      THR  90  18.290  22.354   2.171
  716   HG21  THR  90          HG21      THR  90  18.750  26.184   0.874
  717   HG22  THR  90          HG22      THR  90  18.570  24.862  -0.311
  718   HG23  THR  90          HG23      THR  90  17.230  25.284   0.760
  719    H    VAL  91           H        VAL  91  20.775  25.144   3.857
  720    HA   VAL  91           HA       VAL  91  21.635  27.712   2.933
  721    HB   VAL  91           HB       VAL  91  21.892  26.291   5.600
  722   HG11  VAL  91          HG11      VAL  91  22.466  28.509   6.604
  723   HG12  VAL  91          HG12      VAL  91  23.756  27.877   5.583
  724   HG13  VAL  91          HG13      VAL  91  22.695  29.166   4.969
  725   HG21  VAL  91          HG21      VAL  91  20.131  27.853   6.285
  726   HG22  VAL  91          HG22      VAL  91  20.215  28.691   4.721
  727   HG23  VAL  91          HG23      VAL  91  19.602  27.034   4.808
  728    H    GLU  92           H        GLU  92  23.567  24.821   3.950
  729    HA   GLU  92           HA       GLU  92  26.143  26.035   3.560
  730    HB2  GLU  92           HB2      GLU  92  25.166  23.156   3.490
  731    HB3  GLU  92           HB3      GLU  92  26.861  23.589   3.260
  732    HG2  GLU  92           HG2      GLU  92  25.258  24.349   5.739
  733    HG3  GLU  92           HG3      GLU  92  26.240  22.896   5.601
  734    H    ALA  93           H        ALA  93  24.038  24.145   1.307
  735    HA   ALA  93           HA       ALA  93  25.813  24.234  -0.924
  736    HB1  ALA  93           HB1      ALA  93  23.927  22.663  -0.688
  737    HB2  ALA  93           HB2      ALA  93  22.766  24.000  -0.763
  738    HB3  ALA  93           HB3      ALA  93  23.756  23.601  -2.183
  739    H    TYR  94           H        TYR  94  23.149  26.474   0.021
  740    HA   TYR  94           HA       TYR  94  23.386  28.236  -2.204
  741    HB2  TYR  94           HB2      TYR  94  21.472  28.055  -0.627
  742    HB3  TYR  94           HB3      TYR  94  22.449  28.771   0.641
  743    HD1  TYR  94           HD1      TYR  94  21.440  29.495  -2.935
  744    HD2  TYR  94           HD2      TYR  94  22.070  31.050   1.042
  745    HE1  TYR  94           HE1      TYR  94  20.605  31.716  -3.675
  746    HE2  TYR  94           HE2      TYR  94  21.228  33.270   0.304
  747    HH   TYR  94           HH       TYR  94  20.149  33.875  -3.060
  748    H    LYS  95           H        LYS  95  25.043  28.266   0.953
  749    HA   LYS  95           HA       LYS  95  26.586  30.678   0.489
  750    HB2  LYS  95           HB2      LYS  95  26.046  29.719   2.695
  751    HB3  LYS  95           HB3      LYS  95  26.984  28.269   2.311
  752    HG2  LYS  95           HG2      LYS  95  29.062  29.563   2.302
  753    HG3  LYS  95           HG3      LYS  95  28.165  31.082   2.441
  754    HD2  LYS  95           HD2      LYS  95  29.159  30.408   4.594
  755    HD3  LYS  95           HD3      LYS  95  27.389  30.483   4.678
  756    HE2  LYS  95           HE2      LYS  95  27.253  28.024   4.405
  757    HE3  LYS  95           HE3      LYS  95  29.013  27.923   4.285
  758    HZ1  LYS  95           HZ1      LYS  95  27.577  28.951   6.673
  759    HZ2  LYS  95           HZ2      LYS  95  28.081  27.403   6.494
  760    HZ3  LYS  95           HZ3      LYS  95  29.186  28.631   6.562
  761    H    SER  96           H        SER  96  27.085  27.266  -0.344
  762    HA   SER  96           HA       SER  96  29.854  27.679  -1.264
  763    HB2  SER  96           HB2      SER  96  28.027  25.262  -1.531
  764    HB3  SER  96           HB3      SER  96  29.782  25.303  -1.769
  765    HG   SER  96           HG       SER  96  28.275  25.606   0.617
  766    H    GLY  97           H        GLY  97  26.780  28.136  -2.761
  767    HA2  GLY  97           HA2      GLY  97  26.416  28.980  -4.933
  768    HA3  GLY  97           HA3      GLY  97  28.003  28.379  -5.459
  769    H    GLU  98           H        GLU  98  26.550  25.917  -3.778
  770    HA   GLU  98           HA       GLU  98  26.284  24.338  -6.227
  771    HB2  GLU  98           HB2      GLU  98  25.885  23.567  -3.309
  772    HB3  GLU  98           HB3      GLU  98  25.951  22.453  -4.684
  773    HG2  GLU  98           HG2      GLU  98  28.279  23.293  -5.166
  774    HG3  GLU  98           HG3      GLU  98  28.205  24.236  -3.676
  775    H    LEU  99           H        LEU  99  24.041  25.689  -3.777
  776    HA   LEU  99           HA       LEU  99  21.721  24.267  -4.759
  777    HB2  LEU  99           HB2      LEU  99  21.854  25.436  -2.514
  778    HB3  LEU  99           HB3      LEU  99  21.860  26.980  -3.354
  779    HG   LEU  99           HG       LEU  99  19.599  26.374  -4.348
  780   HD11  LEU  99          HD11      LEU  99  19.758  24.079  -2.340
  781   HD12  LEU  99          HD12      LEU  99  18.288  24.595  -3.187
  782   HD13  LEU  99          HD13      LEU  99  19.637  23.922  -4.107
  783   HD21  LEU  99          HD21      LEU  99  19.747  27.889  -2.466
  784   HD22  LEU  99          HD22      LEU  99  18.359  26.816  -2.226
  785   HD23  LEU  99          HD23      LEU  99  19.865  26.534  -1.328
  786    H    GLN 100           H        GLN 100  23.104  27.483  -5.490
  787    HA   GLN 100           HA       GLN 100  21.235  28.309  -7.455
  788    HB2  GLN 100           HB2      GLN 100  24.237  28.905  -7.338
  789    HB3  GLN 100           HB3      GLN 100  23.039  29.757  -8.294
  790    HG2  GLN 100           HG2      GLN 100  23.183  31.199  -6.552
  791    HG3  GLN 100           HG3      GLN 100  21.857  30.206  -5.961
  792   HE21  GLN 100          HE22      GLN 100  24.031  31.872  -4.502
  793   HE22  GLN 100          HE21      GLN 100  24.650  30.683  -3.351
  794    H    GLU 101           H        GLU 101  24.320  26.480  -7.911
  795    HA   GLU 101           HA       GLU 101  24.138  26.065 -10.683
  796    HB2  GLU 101           HB2      GLU 101  26.100  25.543  -9.263
  797    HB3  GLU 101           HB3      GLU 101  25.212  24.224  -8.508
  798    HG2  GLU 101           HG2      GLU 101  25.029  23.182 -10.857
  799    HG3  GLU 101           HG3      GLU 101  26.184  24.409 -11.380
  800    H    GLN 102           H        GLN 102  22.894  23.838  -8.074
  801    HA   GLN 102           HA       GLN 102  21.752  22.080 -10.045
  802    HB2  GLN 102           HB2      GLN 102  21.382  22.206  -7.034
  803    HB3  GLN 102           HB3      GLN 102  20.774  20.913  -8.076
  804    HG2  GLN 102           HG2      GLN 102  23.718  21.653  -7.708
  805    HG3  GLN 102           HG3      GLN 102  22.906  20.267  -6.990
  806   HE21  GLN 102          HE22      GLN 102  25.131  20.866  -9.345
  807   HE22  GLN 102          HE21      GLN 102  24.625  19.634 -10.487
  808    H    VAL 103           H        VAL 103  20.309  24.737  -8.137
  809    HA   VAL 103           HA       VAL 103  17.601  24.189  -8.994
  810    HB   VAL 103           HB       VAL 103  18.909  26.734  -7.990
  811   HG11  VAL 103          HG11      VAL 103  17.056  27.476  -9.401
  812   HG12  VAL 103          HG12      VAL 103  15.975  26.255  -8.693
  813   HG13  VAL 103          HG13      VAL 103  16.564  27.609  -7.711
  814   HG21  VAL 103          HG21      VAL 103  16.806  24.900  -6.727
  815   HG22  VAL 103          HG22      VAL 103  18.532  24.804  -6.360
  816   HG23  VAL 103          HG23      VAL 103  17.630  26.275  -5.961
  817    H    GLU 104           H        GLU 104  20.226  26.309 -10.431
  818    HA   GLU 104           HA       GLU 104  18.667  27.183 -12.643
  819    HB2  GLU 104           HB2      GLU 104  21.643  26.762 -12.228
  820    HB3  GLU 104           HB3      GLU 104  21.007  27.292 -13.777
  821    HG2  GLU 104           HG2      GLU 104  20.441  28.782 -11.181
  822    HG3  GLU 104           HG3      GLU 104  21.795  29.141 -12.247
  823    H    LYS 105           H        LYS 105  20.732  24.241 -12.291
  824    HA   LYS 105           HA       LYS 105  20.273  23.134 -14.860
  825    HB2  LYS 105           HB2      LYS 105  21.918  22.350 -13.092
  826    HB3  LYS 105           HB3      LYS 105  20.559  21.667 -12.207
  827    HG2  LYS 105           HG2      LYS 105  20.086  20.356 -14.474
  828    HG3  LYS 105           HG3      LYS 105  21.734  20.836 -14.872
  829    HD2  LYS 105           HD2      LYS 105  21.942  18.684 -13.909
  830    HD3  LYS 105           HD3      LYS 105  22.421  19.789 -12.602
  831    HE2  LYS 105           HE2      LYS 105  20.029  19.641 -11.724
  832    HE3  LYS 105           HE3      LYS 105  19.680  18.467 -12.999
  833    HZ1  LYS 105           HZ1      LYS 105  20.195  17.297 -11.002
  834    HZ2  LYS 105           HZ2      LYS 105  21.472  17.066 -12.000
  835    HZ3  LYS 105           HZ3      LYS 105  21.587  18.141 -10.754
  836    H    ALA 106           H        ALA 106  18.346  22.668 -11.837
  837    HA   ALA 106           HA       ALA 106  16.325  21.019 -13.032
  838    HB1  ALA 106           HB1      ALA 106  15.134  21.445 -10.941
  839    HB2  ALA 106           HB2      ALA 106  16.841  21.145 -10.605
  840    HB3  ALA 106           HB3      ALA 106  16.214  22.806 -10.558
  841    H    MET 107           H        MET 107  16.583  24.586 -12.838
  842    HA   MET 107           HA       MET 107  13.891  25.064 -13.829
  843    HB2  MET 107           HB2      MET 107  16.370  26.831 -13.687
  844    HB3  MET 107           HB3      MET 107  14.802  27.383 -14.280
  845    HG2  MET 107           HG2      MET 107  15.277  26.216 -11.511
  846    HG3  MET 107           HG3      MET 107  15.217  27.937 -11.878
  847    HE1  MET 107           HE1      MET 107  12.048  26.742  -9.731
  848    HE2  MET 107           HE2      MET 107  13.543  25.789  -9.848
  849    HE3  MET 107           HE3      MET 107  13.628  27.557  -9.655
  850    H    CYS 108           H        CYS 108  17.080  24.711 -15.423
  851    HA   CYS 108           HA       CYS 108  16.086  25.176 -18.104
  852    HB2  CYS 108           HB2      CYS 108  18.535  23.642 -17.088
  853    HB3  CYS 108           HB3      CYS 108  18.236  24.106 -18.771
  854    HG   CYS 108           HG       CYS 108  18.633  26.006 -16.087
  855    H    SER 109           H        SER 109  16.502  22.261 -16.157
  856    HA   SER 109           HA       SER 109  15.518  20.245 -16.080
  857    HB2  SER 109           HB2      SER 109  13.831  21.069 -18.475
  858    HB3  SER 109           HB3      SER 109  13.670  19.563 -17.564
  859    HG   SER 109           HG       SER 109  13.195  20.680 -15.722
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   4.544  -1.165   3.738
    2    H2   MET   1           H2       MET   1   3.695  -0.755   5.078
    3    H3   MET   1           H3       MET   1   2.933  -1.424   3.801
    4    HA   MET   1           HA       MET   1   2.466   0.938   3.877
    5    HB2  MET   1           HB2      MET   1   5.481   1.266   3.476
    6    HB3  MET   1           HB3      MET   1   4.279   2.557   3.417
    7    HG2  MET   1           HG2      MET   1   5.055   0.917   5.855
    8    HG3  MET   1           HG3      MET   1   5.439   2.603   5.530
    9    HE1  MET   1           HE1      MET   1   4.658   3.281   7.937
   10    HE2  MET   1           HE2      MET   1   3.068   2.869   8.620
   11    HE3  MET   1           HE3      MET   1   4.252   1.585   8.294
   12    H    ALA   2           H        ALA   2   2.044   2.097   1.913
   13    HA   ALA   2           HA       ALA   2   3.170   1.173  -0.645
   14    HB1  ALA   2           HB1      ALA   2   0.987   0.323  -1.483
   15    HB2  ALA   2           HB2      ALA   2   1.524  -0.619  -0.090
   16    HB3  ALA   2           HB3      ALA   2   0.256   0.609   0.107
   17    H    LEU   3           H        LEU   3   1.892   2.162  -2.512
   18    HA   LEU   3           HA       LEU   3   0.474   4.655  -1.952
   19    HB2  LEU   3           HB2      LEU   3   1.844   6.121  -3.141
   20    HB3  LEU   3           HB3      LEU   3   2.926   5.264  -2.062
   21    HG   LEU   3           HG       LEU   3   2.614   4.752  -5.061
   22   HD11  LEU   3          HD11      LEU   3   4.789   5.824  -5.286
   23   HD12  LEU   3          HD12      LEU   3   3.657   6.934  -4.498
   24   HD13  LEU   3          HD13      LEU   3   4.889   6.084  -3.535
   25   HD21  LEU   3          HD21      LEU   3   4.588   3.558  -3.060
   26   HD22  LEU   3          HD22      LEU   3   3.366   2.682  -4.014
   27   HD23  LEU   3          HD23      LEU   3   4.731   3.431  -4.830
   28    H    THR   4           H        THR   4  -0.683   5.494  -3.814
   29    HA   THR   4           HA       THR   4  -1.539   3.342  -5.667
   30    HB   THR   4           HB       THR   4  -3.494   4.821  -6.064
   31    HG1  THR   4           HG1      THR   4  -3.607   6.659  -4.625
   32   HG21  THR   4          HG21      THR   4  -2.964   4.536  -3.075
   33   HG22  THR   4          HG22      THR   4  -4.534   4.671  -3.887
   34   HG23  THR   4          HG23      THR   4  -3.540   3.227  -4.132
   35    HA   PRO   5           HA       PRO   5   0.192   5.462  -9.241
   36    HB2  PRO   5           HB2      PRO   5  -1.758   5.161 -11.164
   37    HB3  PRO   5           HB3      PRO   5  -0.659   3.851 -10.650
   38    HG2  PRO   5           HG2      PRO   5  -3.490   4.383  -9.704
   39    HG3  PRO   5           HG3      PRO   5  -2.762   2.827 -10.228
   40    HD2  PRO   5           HD2      PRO   5  -2.977   3.457  -7.608
   41    HD3  PRO   5           HD3      PRO   5  -1.525   2.623  -8.221
   42    H    ALA   6           H        ALA   6  -3.138   6.290  -8.140
   43    HA   ALA   6           HA       ALA   6  -3.304   8.870  -9.328
   44    HB1  ALA   6           HB1      ALA   6  -5.037   9.241  -7.602
   45    HB2  ALA   6           HB2      ALA   6  -5.217   7.647  -8.350
   46    HB3  ALA   6           HB3      ALA   6  -4.497   7.797  -6.727
   47    H    LEU   7           H        LEU   7  -1.788   7.830  -6.245
   48    HA   LEU   7           HA       LEU   7  -1.084  10.444  -5.304
   49    HB2  LEU   7           HB2      LEU   7  -1.149   8.201  -4.068
   50    HB3  LEU   7           HB3      LEU   7   0.387   7.803  -4.815
   51    HG   LEU   7           HG       LEU   7   0.553   8.520  -2.492
   52   HD11  LEU   7          HD11      LEU   7   1.888  10.612  -4.233
   53   HD12  LEU   7          HD12      LEU   7   2.394  10.050  -2.633
   54   HD13  LEU   7          HD13      LEU   7   2.474   8.949  -4.021
   55   HD21  LEU   7          HD21      LEU   7   0.047  10.705  -1.698
   56   HD22  LEU   7          HD22      LEU   7  -0.306  11.314  -3.332
   57   HD23  LEU   7          HD23      LEU   7  -1.386  10.135  -2.563
   58    H    LYS   8           H        LYS   8   0.810   8.030  -7.193
   59    HA   LYS   8           HA       LYS   8   3.106   9.651  -7.651
   60    HB2  LYS   8           HB2      LYS   8   1.856   7.402  -9.292
   61    HB3  LYS   8           HB3      LYS   8   3.431   8.122  -9.648
   62    HG2  LYS   8           HG2      LYS   8   4.291   7.459  -7.450
   63    HG3  LYS   8           HG3      LYS   8   2.712   6.816  -6.987
   64    HD2  LYS   8           HD2      LYS   8   4.126   4.971  -7.600
   65    HD3  LYS   8           HD3      LYS   8   2.852   5.137  -8.818
   66    HE2  LYS   8           HE2      LYS   8   4.441   6.304 -10.335
   67    HE3  LYS   8           HE3      LYS   8   5.705   6.207  -9.102
   68    HZ1  LYS   8           HZ1      LYS   8   5.916   4.433 -10.740
   69    HZ2  LYS   8           HZ2      LYS   8   5.612   3.781  -9.273
   70    HZ3  LYS   8           HZ3      LYS   8   4.424   3.863 -10.404
   71    H    THR   9           H        THR   9   0.133   9.385  -9.688
   72    HA   THR   9           HA       THR   9   0.869  11.247 -11.694
   73    HB   THR   9           HB       THR   9  -1.708  10.167 -10.646
   74    HG1  THR   9           HG1      THR   9  -1.495   8.945 -12.527
   75   HG21  THR   9          HG21      THR   9  -1.261  11.947 -13.061
   76   HG22  THR   9          HG22      THR   9  -2.715  10.945 -12.795
   77   HG23  THR   9          HG23      THR   9  -2.331  12.252 -11.666
   78    H    THR  10           H        THR  10  -0.764  11.763  -8.528
   79    HA   THR  10           HA       THR  10  -1.301  14.560  -8.910
   80    HB   THR  10           HB       THR  10  -0.794  13.034  -6.314
   81    HG1  THR  10           HG1      THR  10  -2.502  12.179  -7.454
   82   HG21  THR  10          HG21      THR  10  -2.209  14.816  -5.307
   83   HG22  THR  10          HG22      THR  10  -0.678  15.452  -5.909
   84   HG23  THR  10          HG23      THR  10  -2.171  15.704  -6.849
   85    H    LEU  11           H        LEU  11   1.466  12.894  -7.356
   86    HA   LEU  11           HA       LEU  11   3.039  15.216  -6.845
   87    HB2  LEU  11           HB2      LEU  11   3.900  12.354  -7.430
   88    HB3  LEU  11           HB3      LEU  11   4.970  13.626  -6.843
   89    HG   LEU  11           HG       LEU  11   2.557  12.514  -5.350
   90   HD11  LEU  11          HD11      LEU  11   5.550  12.220  -4.846
   91   HD12  LEU  11          HD12      LEU  11   4.254  11.576  -3.816
   92   HD13  LEU  11          HD13      LEU  11   4.464  10.949  -5.462
   93   HD21  LEU  11          HD21      LEU  11   4.576  14.624  -4.517
   94   HD22  LEU  11          HD22      LEU  11   2.818  14.834  -4.707
   95   HD23  LEU  11          HD23      LEU  11   3.442  13.814  -3.409
   96    H    ASP  12           H        ASP  12   3.200  13.034  -9.724
   97    HA   ASP  12           HA       ASP  12   5.086  14.503 -11.182
   98    HB2  ASP  12           HB2      ASP  12   4.229  12.250 -11.774
   99    HB3  ASP  12           HB3      ASP  12   2.682  12.958 -12.230
  100    H    LYS  13           H        LYS  13   1.494  14.952 -11.211
  101    HA   LYS  13           HA       LYS  13   1.457  17.106 -13.069
  102    HB2  LYS  13           HB2      LYS  13  -0.421  16.259 -10.830
  103    HB3  LYS  13           HB3      LYS  13  -0.745  17.676 -11.842
  104    HG2  LYS  13           HG2      LYS  13  -0.806  16.358 -13.861
  105    HG3  LYS  13           HG3      LYS  13  -0.217  14.926 -13.035
  106    HD2  LYS  13           HD2      LYS  13  -2.599  14.681 -13.385
  107    HD3  LYS  13           HD3      LYS  13  -2.267  14.824 -11.664
  108    HE2  LYS  13           HE2      LYS  13  -4.227  16.113 -12.103
  109    HE3  LYS  13           HE3      LYS  13  -2.931  17.251 -11.753
  110    HZ1  LYS  13           HZ1      LYS  13  -2.719  17.615 -14.175
  111    HZ2  LYS  13           HZ2      LYS  13  -3.909  16.529 -14.473
  112    HZ3  LYS  13           HZ3      LYS  13  -4.247  17.919 -13.689
  113    H    VAL  14           H        VAL  14   1.601  17.381  -9.399
  114    HA   VAL  14           HA       VAL  14   1.881  20.206  -9.641
  115    HB   VAL  14           HB       VAL  14   2.419  20.273  -7.335
  116   HG11  VAL  14          HG11      VAL  14   0.080  20.096  -8.036
  117   HG12  VAL  14          HG12      VAL  14   0.147  18.331  -7.832
  118   HG13  VAL  14          HG13      VAL  14   0.341  19.398  -6.428
  119   HG21  VAL  14          HG21      VAL  14   2.455  17.258  -7.248
  120   HG22  VAL  14          HG22      VAL  14   3.856  18.324  -6.982
  121   HG23  VAL  14          HG23      VAL  14   2.502  18.334  -5.851
  122    H    VAL  15           H        VAL  15   4.344  17.627  -9.448
  123    HA   VAL  15           HA       VAL  15   6.630  19.282  -9.119
  124    HB   VAL  15           HB       VAL  15   6.154  16.543 -10.164
  125   HG11  VAL  15          HG11      VAL  15   8.553  16.060 -10.190
  126   HG12  VAL  15          HG12      VAL  15   8.116  17.204 -11.449
  127   HG13  VAL  15          HG13      VAL  15   8.904  17.795  -9.961
  128   HG21  VAL  15          HG21      VAL  15   7.664  17.599  -7.731
  129   HG22  VAL  15          HG22      VAL  15   6.003  16.993  -7.700
  130   HG23  VAL  15          HG23      VAL  15   7.330  15.889  -8.088
  131    H    THR  16           H        THR  16   4.930  18.274 -12.097
  132    HA   THR  16           HA       THR  16   6.900  19.606 -13.836
  133    HB   THR  16           HB       THR  16   5.319  18.973 -15.669
  134    HG1  THR  16           HG1      THR  16   4.026  17.417 -13.709
  135   HG21  THR  16          HG21      THR  16   5.758  16.544 -15.522
  136   HG22  THR  16          HG22      THR  16   7.178  17.496 -15.059
  137   HG23  THR  16          HG23      THR  16   6.197  16.711 -13.808
  138    H    SER  17           H        SER  17   3.569  20.299 -12.738
  139    HA   SER  17           HA       SER  17   3.256  22.593 -14.442
  140    HB2  SER  17           HB2      SER  17   1.794  21.965 -11.847
  141    HB3  SER  17           HB3      SER  17   1.270  23.088 -13.112
  142    HG   SER  17           HG       SER  17   1.430  20.269 -13.165
  143    H    HIS  18           H        HIS  18   4.771  22.309 -11.273
  144    HA   HIS  18           HA       HIS  18   5.212  25.273 -11.207
  145    HB2  HIS  18           HB2      HIS  18   4.711  23.449  -8.813
  146    HB3  HIS  18           HB3      HIS  18   4.982  25.185  -8.782
  147    HD1  HIS  18           HD1      HIS  18   2.847  26.728  -9.622
  148    HD2  HIS  18           HD2      HIS  18   2.262  22.572  -9.356
  149    HE1  HIS  18           HE1      HIS  18   0.338  26.351  -9.753
  150    H    LYS  19           H        LYS  19   7.373  25.830 -10.999
  151    HA   LYS  19           HA       LYS  19   9.271  23.713 -11.427
  152    HB2  LYS  19           HB2      LYS  19   9.768  26.650 -10.778
  153    HB3  LYS  19           HB3      LYS  19  10.942  25.521 -11.445
  154    HG2  LYS  19           HG2      LYS  19   8.444  26.575 -12.843
  155    HG3  LYS  19           HG3      LYS  19  10.120  26.959 -13.173
  156    HD2  LYS  19           HD2      LYS  19   9.741  25.481 -14.862
  157    HD3  LYS  19           HD3      LYS  19  10.371  24.364 -13.644
  158    HE2  LYS  19           HE2      LYS  19   7.969  23.804 -13.025
  159    HE3  LYS  19           HE3      LYS  19   7.418  24.926 -14.273
  160    HZ1  LYS  19           HZ1      LYS  19   8.464  23.505 -15.931
  161    HZ2  LYS  19           HZ2      LYS  19   9.080  22.508 -14.780
  162    HZ3  LYS  19           HZ3      LYS  19   7.448  22.592 -15.010
  163    H    VAL  20           H        VAL  20   8.722  25.661  -8.489
  164    HA   VAL  20           HA       VAL  20  10.610  23.823  -7.009
  165    HB   VAL  20           HB       VAL  20   9.881  26.731  -6.486
  166   HG11  VAL  20          HG11      VAL  20  11.439  26.661  -4.621
  167   HG12  VAL  20          HG12      VAL  20  10.110  25.542  -4.331
  168   HG13  VAL  20          HG13      VAL  20  11.690  24.913  -4.863
  169   HG21  VAL  20          HG21      VAL  20  12.301  27.127  -6.824
  170   HG22  VAL  20          HG22      VAL  20  12.540  25.411  -7.191
  171   HG23  VAL  20          HG23      VAL  20  11.574  26.433  -8.277
  172    H    VAL  21           H        VAL  21   9.752  22.577  -5.405
  173    HA   VAL  21           HA       VAL  21   7.002  23.234  -4.390
  174    HB   VAL  21           HB       VAL  21   7.842  20.445  -5.282
  175   HG11  VAL  21          HG11      VAL  21   5.117  21.673  -4.682
  176   HG12  VAL  21          HG12      VAL  21   5.416  20.000  -5.188
  177   HG13  VAL  21          HG13      VAL  21   6.011  20.568  -3.617
  178   HG21  VAL  21          HG21      VAL  21   6.388  20.745  -7.271
  179   HG22  VAL  21          HG22      VAL  21   6.272  22.479  -6.905
  180   HG23  VAL  21          HG23      VAL  21   7.843  21.741  -7.334
  181    H    LEU  22           H        LEU  22   7.015  23.266  -2.215
  182    HA   LEU  22           HA       LEU  22   8.892  21.508  -0.683
  183    HB2  LEU  22           HB2      LEU  22   7.061  23.821   0.079
  184    HB3  LEU  22           HB3      LEU  22   7.743  22.758   1.284
  185    HG   LEU  22           HG       LEU  22   8.958  24.819   1.168
  186   HD11  LEU  22          HD11      LEU  22  10.146  22.766   1.820
  187   HD12  LEU  22          HD12      LEU  22  10.672  22.534   0.142
  188   HD13  LEU  22          HD13      LEU  22  11.226  23.944   1.056
  189   HD21  LEU  22          HD21      LEU  22   9.758  24.149  -1.691
  190   HD22  LEU  22          HD22      LEU  22   8.613  25.413  -1.204
  191   HD23  LEU  22          HD23      LEU  22  10.314  25.520  -0.722
  192    H    PHE  23           H        PHE  23   8.220  19.978   0.736
  193    HA   PHE  23           HA       PHE  23   5.308  19.267   0.846
  194    HB2  PHE  23           HB2      PHE  23   7.735  17.449   0.669
  195    HB3  PHE  23           HB3      PHE  23   6.113  16.902   1.066
  196    HD1  PHE  23           HD2      PHE  23   8.263  18.261  -1.644
  197    HD2  PHE  23           HD1      PHE  23   4.353  16.762  -0.620
  198    HE1  PHE  23           HE2      PHE  23   7.695  18.052  -4.055
  199    HE2  PHE  23           HE1      PHE  23   3.790  16.577  -3.023
  200    HZ   PHE  23           HZ       PHE  23   5.465  17.214  -4.749
  201    H    MET  24           H        MET  24   4.585  19.706   2.793
  202    HA   MET  24           HA       MET  24   5.820  18.857   5.263
  203    HB2  MET  24           HB2      MET  24   6.273  21.019   6.248
  204    HB3  MET  24           HB3      MET  24   7.215  20.843   4.781
  205    HG2  MET  24           HG2      MET  24   5.642  22.245   3.532
  206    HG3  MET  24           HG3      MET  24   4.647  22.447   4.982
  207    HE1  MET  24           HE1      MET  24   4.848  25.096   4.538
  208    HE2  MET  24           HE2      MET  24   6.414  25.913   4.278
  209    HE3  MET  24           HE3      MET  24   5.855  24.688   3.128
  210    H    LYS  25           H        LYS  25   4.404  20.192   7.164
  211    HA   LYS  25           HA       LYS  25   1.640  19.320   6.628
  212    HB2  LYS  25           HB2      LYS  25   2.942  20.725   9.008
  213    HB3  LYS  25           HB3      LYS  25   1.273  20.156   8.960
  214    HG2  LYS  25           HG2      LYS  25   2.023  17.850   8.620
  215    HG3  LYS  25           HG3      LYS  25   3.720  18.350   8.658
  216    HD2  LYS  25           HD2      LYS  25   1.738  18.707  10.953
  217    HD3  LYS  25           HD3      LYS  25   2.890  17.371  10.806
  218    HE2  LYS  25           HE2      LYS  25   4.785  18.991  10.804
  219    HE3  LYS  25           HE3      LYS  25   3.642  20.330  10.989
  220    HZ1  LYS  25           HZ1      LYS  25   4.016  18.128  12.950
  221    HZ2  LYS  25           HZ2      LYS  25   4.560  19.657  13.129
  222    HZ3  LYS  25           HZ3      LYS  25   2.952  19.362  13.114
  223    H    GLY  26           H        GLY  26   3.343  22.375   7.005
  224    HA2  GLY  26           HA2      GLY  26   0.990  24.087   6.919
  225    HA3  GLY  26           HA3      GLY  26   2.681  24.612   6.887
  226    H    THR  27           H        THR  27   0.718  25.910   5.481
  227    HA   THR  27           HA       THR  27   0.816  25.164   2.617
  228    HB   THR  27           HB       THR  27  -0.685  27.140   2.351
  229    HG1  THR  27           HG1      THR  27  -0.948  28.466   3.888
  230   HG21  THR  27          HG21      THR  27  -2.653  26.279   3.496
  231   HG22  THR  27          HG22      THR  27  -1.727  24.951   2.783
  232   HG23  THR  27          HG23      THR  27  -1.650  25.255   4.543
  233    H    LYS  28           H        LYS  28   1.169  27.050   1.063
  234    HA   LYS  28           HA       LYS  28   3.842  28.082   1.469
  235    HB2  LYS  28           HB2      LYS  28   3.589  29.024  -0.757
  236    HB3  LYS  28           HB3      LYS  28   3.059  27.345  -0.708
  237    HG2  LYS  28           HG2      LYS  28   0.673  28.123  -0.649
  238    HG3  LYS  28           HG3      LYS  28   1.242  29.803  -0.757
  239    HD2  LYS  28           HD2      LYS  28   2.321  29.319  -2.927
  240    HD3  LYS  28           HD3      LYS  28   1.842  27.616  -2.792
  241    HE2  LYS  28           HE2      LYS  28  -0.553  28.298  -2.764
  242    HE3  LYS  28           HE3      LYS  28  -0.068  29.988  -2.975
  243    HZ1  LYS  28           HZ1      LYS  28   0.584  27.796  -4.883
  244    HZ2  LYS  28           HZ2      LYS  28  -0.654  28.866  -5.089
  245    HZ3  LYS  28           HZ3      LYS  28   0.899  29.386  -5.112
  246    H    ASP  29           H        ASP  29   0.708  29.470   2.113
  247    HA   ASP  29           HA       ASP  29   1.803  32.192   2.464
  248    HB2  ASP  29           HB2      ASP  29  -0.432  32.914   2.724
  249    HB3  ASP  29           HB3      ASP  29  -0.352  31.871   1.309
  250    H    PHE  30           H        PHE  30   1.310  29.384   4.376
  251    HA   PHE  30           HA       PHE  30   2.165  30.905   6.786
  252    HB2  PHE  30           HB2      PHE  30   0.080  28.694   6.750
  253    HB3  PHE  30           HB3      PHE  30   0.850  29.322   8.194
  254    HD1  PHE  30           HD2      PHE  30   0.645  31.868   8.698
  255    HD2  PHE  30           HD1      PHE  30  -1.921  29.740   5.959
  256    HE1  PHE  30           HE2      PHE  30  -1.079  33.635   8.938
  257    HE2  PHE  30           HE1      PHE  30  -3.644  31.509   6.204
  258    HZ   PHE  30           HZ       PHE  30  -3.230  33.453   7.697
  259    HA   PRO  31           HA       PRO  31   4.932  27.357   5.538
  260    HB2  PRO  31           HB2      PRO  31   7.299  28.672   5.214
  261    HB3  PRO  31           HB3      PRO  31   6.036  28.621   3.945
  262    HG2  PRO  31           HG2      PRO  31   6.521  30.821   5.991
  263    HG3  PRO  31           HG3      PRO  31   6.319  30.993   4.217
  264    HD2  PRO  31           HD2      PRO  31   4.255  31.356   5.947
  265    HD3  PRO  31           HD3      PRO  31   4.014  30.595   4.345
  266    H    GLN  32           H        GLN  32   6.255  26.198   6.937
  267    HA   GLN  32           HA       GLN  32   5.819  26.797   9.685
  268    HB2  GLN  32           HB2      GLN  32   7.470  24.633   8.313
  269    HB3  GLN  32           HB3      GLN  32   7.171  24.703  10.050
  270    HG2  GLN  32           HG2      GLN  32   4.731  24.576   9.672
  271    HG3  GLN  32           HG3      GLN  32   4.984  24.558   7.915
  272   HE21  GLN  32          HE21      GLN  32   6.699  22.655  10.542
  273   HE22  GLN  32          HE22      GLN  32   6.284  21.128   9.783
  274    H    CYS  33           H        CYS  33   6.951  27.778  11.165
  275    HA   CYS  33           HA       CYS  33   9.174  29.383  10.656
  276    HB2  CYS  33           HB2      CYS  33   9.226  29.676  13.147
  277    HB3  CYS  33           HB3      CYS  33   7.618  29.874  12.440
  278    HG   CYS  33           HG       CYS  33   8.851  27.066  13.737
  279    H    GLY  34           H        GLY  34  11.316  29.385  11.199
  280    HA2  GLY  34           HA2      GLY  34  13.435  28.414  11.681
  281    HA3  GLY  34           HA3      GLY  34  12.682  26.806  11.815
  282    H    PHE  35           H        PHE  35  13.920  25.747  10.336
  283    HA   PHE  35           HA       PHE  35  15.160  26.750   8.113
  284    HB2  PHE  35           HB2      PHE  35  14.166  23.891   8.442
  285    HB3  PHE  35           HB3      PHE  35  15.469  24.433   7.389
  286    HD1  PHE  35           HD2      PHE  35  17.529  25.564   8.442
  287    HD2  PHE  35           HD1      PHE  35  14.663  23.253  10.690
  288    HE1  PHE  35           HE2      PHE  35  19.195  25.259  10.258
  289    HE2  PHE  35           HE1      PHE  35  16.333  22.946  12.499
  290    HZ   PHE  35           HZ       PHE  35  18.600  23.953  12.291
  291    H    SER  36           H        SER  36  11.872  25.170   7.928
  292    HA   SER  36           HA       SER  36  11.729  25.350   5.085
  293    HB2  SER  36           HB2      SER  36   9.474  25.337   7.116
  294    HB3  SER  36           HB3      SER  36   9.311  25.045   5.370
  295    HG   SER  36           HG       SER  36   9.528  23.100   6.613
  296    H    GLN  37           H        GLN  37  10.410  27.696   7.525
  297    HA   GLN  37           HA       GLN  37   9.487  29.610   5.649
  298    HB2  GLN  37           HB2      GLN  37   8.928  29.504   8.039
  299    HB3  GLN  37           HB3      GLN  37  10.552  30.057   8.469
  300    HG2  GLN  37           HG2      GLN  37  10.112  32.212   7.379
  301    HG3  GLN  37           HG3      GLN  37   8.569  31.631   6.749
  302   HE21  GLN  37          HE22      GLN  37   6.992  30.745   8.664
  303   HE22  GLN  37          HE21      GLN  37   6.967  31.827  10.047
  304    H    THR  38           H        THR  38  12.779  29.331   7.132
  305    HA   THR  38           HA       THR  38  13.969  31.493   5.693
  306    HB   THR  38           HB       THR  38  15.271  28.872   6.555
  307    HG1  THR  38           HG1      THR  38  15.006  31.321   7.961
  308   HG21  THR  38          HG21      THR  38  16.416  31.660   6.074
  309   HG22  THR  38          HG22      THR  38  17.299  30.293   6.805
  310   HG23  THR  38          HG23      THR  38  16.753  30.196   5.127
  311    H    VAL  39           H        VAL  39  13.709  28.036   4.820
  312    HA   VAL  39           HA       VAL  39  15.065  28.258   2.349
  313    HB   VAL  39           HB       VAL  39  13.212  26.195   3.511
  314   HG11  VAL  39          HG11      VAL  39  13.809  24.668   1.606
  315   HG12  VAL  39          HG12      VAL  39  12.661  25.945   1.179
  316   HG13  VAL  39          HG13      VAL  39  14.367  26.097   0.702
  317   HG21  VAL  39          HG21      VAL  39  15.292  24.898   3.478
  318   HG22  VAL  39          HG22      VAL  39  16.133  26.210   2.627
  319   HG23  VAL  39          HG23      VAL  39  15.576  26.438   4.288
  320    H    VAL  40           H        VAL  40  11.452  28.468   2.889
  321    HA   VAL  40           HA       VAL  40  10.985  28.807   0.085
  322    HB   VAL  40           HB       VAL  40   8.834  29.699   0.631
  323   HG11  VAL  40          HG11      VAL  40   9.499  27.256   2.309
  324   HG12  VAL  40          HG12      VAL  40   7.884  27.719   1.730
  325   HG13  VAL  40          HG13      VAL  40   9.147  27.282   0.567
  326   HG21  VAL  40          HG21      VAL  40   7.964  29.876   2.894
  327   HG22  VAL  40          HG22      VAL  40   9.584  29.573   3.543
  328   HG23  VAL  40          HG23      VAL  40   9.250  31.052   2.618
  329    H    GLN  41           H        GLN  41  11.821  31.224   2.618
  330    HA   GLN  41           HA       GLN  41  11.567  33.517   0.850
  331    HB2  GLN  41           HB2      GLN  41  13.144  33.016   3.399
  332    HB3  GLN  41           HB3      GLN  41  13.164  34.563   2.546
  333    HG2  GLN  41           HG2      GLN  41  10.771  34.860   2.836
  334    HG3  GLN  41           HG3      GLN  41  10.591  33.245   3.523
  335   HE21  GLN  41          HE22      GLN  41  11.736  32.797   5.598
  336   HE22  GLN  41          HE21      GLN  41  11.968  34.139   6.728
  337    H    ILE  42           H        ILE  42  14.343  31.361   1.622
  338    HA   ILE  42           HA       ILE  42  16.293  32.581  -0.057
  339    HB   ILE  42           HB       ILE  42  15.827  29.808   1.040
  340   HG12  ILE  42          HG12      ILE  42  18.100  31.796   1.380
  341   HG13  ILE  42          HG13      ILE  42  16.705  31.675   2.445
  342   HG21  ILE  42          HG21      ILE  42  18.124  30.427  -0.837
  343   HG22  ILE  42          HG22      ILE  42  17.930  28.940   0.131
  344   HG23  ILE  42          HG23      ILE  42  16.797  29.282  -1.145
  345   HD11  ILE  42          HD11      ILE  42  18.534  30.522   3.494
  346   HD12  ILE  42          HD12      ILE  42  17.360  29.294   2.968
  347   HD13  ILE  42          HD13      ILE  42  18.860  29.557   2.054
  348    H    LEU  43           H        LEU  43  13.991  29.977  -0.957
  349    HA   LEU  43           HA       LEU  43  14.877  29.794  -3.682
  350    HB2  LEU  43           HB2      LEU  43  12.301  29.009  -2.252
  351    HB3  LEU  43           HB3      LEU  43  12.616  28.598  -3.932
  352    HG   LEU  43           HG       LEU  43  14.611  27.805  -1.770
  353   HD11  LEU  43          HD11      LEU  43  12.181  26.164  -2.587
  354   HD12  LEU  43          HD12      LEU  43  13.508  25.638  -1.555
  355   HD13  LEU  43          HD13      LEU  43  12.434  26.942  -1.020
  356   HD21  LEU  43          HD21      LEU  43  15.333  27.573  -4.125
  357   HD22  LEU  43          HD22      LEU  43  15.150  25.993  -3.345
  358   HD23  LEU  43          HD23      LEU  43  13.910  26.567  -4.474
  359    H    LYS  44           H        LYS  44  12.068  31.535  -2.251
  360    HA   LYS  44           HA       LYS  44  11.105  32.793  -4.571
  361    HB2  LYS  44           HB2      LYS  44  10.008  32.829  -2.363
  362    HB3  LYS  44           HB3      LYS  44  11.244  33.948  -1.754
  363    HG2  LYS  44           HG2      LYS  44  10.548  35.629  -3.469
  364    HG3  LYS  44           HG3      LYS  44   9.399  34.465  -4.138
  365    HD2  LYS  44           HD2      LYS  44   8.152  36.008  -2.806
  366    HD3  LYS  44           HD3      LYS  44   8.161  34.451  -1.988
  367    HE2  LYS  44           HE2      LYS  44   8.458  36.074  -0.295
  368    HE3  LYS  44           HE3      LYS  44  10.035  35.308  -0.493
  369    HZ1  LYS  44           HZ1      LYS  44   9.235  37.933  -1.654
  370    HZ2  LYS  44           HZ2      LYS  44  10.181  37.740  -0.343
  371    HZ3  LYS  44           HZ3      LYS  44  10.722  37.258  -1.809
  372    H    SER  45           H        SER  45  13.575  34.036  -2.303
  373    HA   SER  45           HA       SER  45  14.138  36.458  -3.715
  374    HB2  SER  45           HB2      SER  45  15.900  35.008  -1.703
  375    HB3  SER  45           HB3      SER  45  15.975  36.721  -2.152
  376    HG   SER  45           HG       SER  45  14.061  35.327  -0.625
  377    H    LEU  46           H        LEU  46  15.769  33.256  -3.844
  378    HA   LEU  46           HA       LEU  46  17.938  33.994  -5.519
  379    HB2  LEU  46           HB2      LEU  46  17.750  31.898  -4.274
  380    HB3  LEU  46           HB3      LEU  46  16.339  31.415  -5.218
  381    HG   LEU  46           HG       LEU  46  17.695  31.125  -7.217
  382   HD11  LEU  46          HD11      LEU  46  20.198  31.318  -7.106
  383   HD12  LEU  46          HD12      LEU  46  19.391  32.881  -6.994
  384   HD13  LEU  46          HD13      LEU  46  20.031  32.127  -5.525
  385   HD21  LEU  46          HD21      LEU  46  19.025  29.221  -6.442
  386   HD22  LEU  46          HD22      LEU  46  19.036  29.856  -4.782
  387   HD23  LEU  46          HD23      LEU  46  17.518  29.308  -5.516
  388    H    ASN  47           H        ASN  47  14.585  33.357  -6.189
  389    HA   ASN  47           HA       ASN  47  13.429  34.757  -7.669
  390    HB2  ASN  47           HB2      ASN  47  15.399  35.748  -8.778
  391    HB3  ASN  47           HB3      ASN  47  15.513  34.321  -9.818
  392   HD21  ASN  47          HD22      ASN  47  15.288  36.189 -11.455
  393   HD22  ASN  47          HD21      ASN  47  13.652  36.603 -11.923
  394    H    ALA  48           H        ALA  48  12.297  32.831  -6.939
  395    HA   ALA  48           HA       ALA  48  11.466  31.284  -9.326
  396    HB1  ALA  48           HB1      ALA  48  11.801  29.092  -8.273
  397    HB2  ALA  48           HB2      ALA  48  13.337  29.956  -8.423
  398    HB3  ALA  48           HB3      ALA  48  12.520  29.864  -6.843
  399    HA   PRO  49           HA       PRO  49   7.545  31.375  -7.051
  400    HB2  PRO  49           HB2      PRO  49   5.964  30.027  -8.796
  401    HB3  PRO  49           HB3      PRO  49   6.544  31.695  -9.116
  402    HG2  PRO  49           HG2      PRO  49   7.658  29.094 -10.197
  403    HG3  PRO  49           HG3      PRO  49   7.345  30.622 -11.071
  404    HD2  PRO  49           HD2      PRO  49   9.825  29.897 -10.094
  405    HD3  PRO  49           HD3      PRO  49   9.305  31.596 -10.281
  406    H    PHE  50           H        PHE  50   7.334  30.103  -5.313
  407    HA   PHE  50           HA       PHE  50   7.890  27.191  -5.518
  408    HB2  PHE  50           HB2      PHE  50   8.548  27.192  -3.271
  409    HB3  PHE  50           HB3      PHE  50   9.336  28.583  -3.994
  410    HD1  PHE  50           HD2      PHE  50   8.627  30.887  -3.407
  411    HD2  PHE  50           HD1      PHE  50   6.834  27.428  -1.558
  412    HE1  PHE  50           HE2      PHE  50   7.629  32.329  -1.655
  413    HE2  PHE  50           HE1      PHE  50   5.835  28.877   0.190
  414    HZ   PHE  50           HZ       PHE  50   6.199  31.336   0.129
  415    H    GLU  51           H        GLU  51   6.576  25.697  -4.490
  416    HA   GLU  51           HA       GLU  51   3.837  26.565  -3.637
  417    HB2  GLU  51           HB2      GLU  51   4.725  24.016  -5.047
  418    HB3  GLU  51           HB3      GLU  51   3.125  24.253  -4.361
  419    HG2  GLU  51           HG2      GLU  51   4.358  25.856  -6.631
  420    HG3  GLU  51           HG3      GLU  51   3.115  24.609  -6.756
  421    H    SER  52           H        SER  52   2.860  24.837  -2.097
  422    HA   SER  52           HA       SER  52   4.847  23.293  -0.566
  423    HB2  SER  52           HB2      SER  52   3.182  25.433   0.756
  424    HB3  SER  52           HB3      SER  52   4.136  24.211   1.605
  425    HG   SER  52           HG       SER  52   5.556  25.573  -0.331
  426    H    VAL  53           H        VAL  53   3.945  21.345  -0.838
  427    HA   VAL  53           HA       VAL  53   1.021  20.983  -0.985
  428    HB   VAL  53           HB       VAL  53   3.333  19.031  -1.194
  429   HG11  VAL  53          HG11      VAL  53   1.647  17.430  -2.139
  430   HG12  VAL  53          HG12      VAL  53   1.356  17.789  -0.437
  431   HG13  VAL  53          HG13      VAL  53   0.358  18.567  -1.690
  432   HG21  VAL  53          HG21      VAL  53   1.533  20.220  -3.347
  433   HG22  VAL  53          HG22      VAL  53   3.245  20.606  -3.085
  434   HG23  VAL  53          HG23      VAL  53   2.780  18.985  -3.607
  435    H    ASN  54           H        ASN  54  -0.214  20.428   0.678
  436    HA   ASN  54           HA       ASN  54   0.817  20.087   3.354
  437    HB2  ASN  54           HB2      ASN  54  -1.998  19.725   2.253
  438    HB3  ASN  54           HB3      ASN  54  -1.548  19.820   3.962
  439   HD21  ASN  54          HD22      ASN  54  -0.583  21.911   4.748
  440   HD22  ASN  54          HD21      ASN  54  -1.057  23.374   3.898
  441    H    ILE  55           H        ILE  55   2.076  18.252   3.501
  442    HA   ILE  55           HA       ILE  55   0.836  15.574   2.958
  443    HB   ILE  55           HB       ILE  55   2.958  14.568   3.479
  444   HG12  ILE  55          HG12      ILE  55   4.088  17.324   4.034
  445   HG13  ILE  55          HG13      ILE  55   3.661  16.172   5.296
  446   HG21  ILE  55          HG21      ILE  55   3.510  16.949   1.665
  447   HG22  ILE  55          HG22      ILE  55   4.220  15.326   1.588
  448   HG23  ILE  55          HG23      ILE  55   2.519  15.562   1.185
  449   HD11  ILE  55          HD11      ILE  55   5.308  14.561   4.369
  450   HD12  ILE  55          HD12      ILE  55   5.809  15.779   3.172
  451   HD13  ILE  55          HD13      ILE  55   6.035  16.095   4.895
  452    H    LEU  56           H        LEU  56   1.480  13.969   4.913
  453    HA   LEU  56           HA       LEU  56   1.214  13.239   7.009
  454    HB2  LEU  56           HB2      LEU  56   2.314  15.831   7.381
  455    HB3  LEU  56           HB3      LEU  56   0.954  15.782   8.469
  456    HG   LEU  56           HG       LEU  56   2.965  15.152   9.604
  457   HD11  LEU  56          HD11      LEU  56   2.374  13.024  10.601
  458   HD12  LEU  56          HD12      LEU  56   0.888  13.938  10.271
  459   HD13  LEU  56          HD13      LEU  56   1.356  12.593   9.216
  460   HD21  LEU  56          HD21      LEU  56   4.363  13.252   9.000
  461   HD22  LEU  56          HD22      LEU  56   3.340  12.881   7.601
  462   HD23  LEU  56          HD23      LEU  56   4.272  14.390   7.649
  463    H    GLU  57           H        GLU  57  -0.972  15.916   6.281
  464    HA   GLU  57           HA       GLU  57  -3.172  15.086   7.909
  465    HB2  GLU  57           HB2      GLU  57  -3.069  16.671   5.306
  466    HB3  GLU  57           HB3      GLU  57  -4.496  16.537   6.330
  467    HG2  GLU  57           HG2      GLU  57  -1.841  17.776   7.176
  468    HG3  GLU  57           HG3      GLU  57  -3.275  18.657   6.663
  469    H    ASN  58           H        ASN  58  -2.006  13.721   4.908
  470    HA   ASN  58           HA       ASN  58  -4.462  12.022   4.674
  471    HB2  ASN  58           HB2      ASN  58  -2.699  13.130   2.449
  472    HB3  ASN  58           HB3      ASN  58  -4.016  11.975   2.226
  473   HD21  ASN  58          HD22      ASN  58  -6.265  12.716   2.791
  474   HD22  ASN  58          HD21      ASN  58  -6.615  14.427   2.657
  475    H    GLU  59           H        GLU  59  -4.156   9.860   4.615
  476    HA   GLU  59           HA       GLU  59  -1.751   8.816   5.640
  477    HB2  GLU  59           HB2      GLU  59  -4.084   7.983   5.981
  478    HB3  GLU  59           HB3      GLU  59  -4.046   7.287   4.355
  479    HG2  GLU  59           HG2      GLU  59  -2.195   5.798   5.024
  480    HG3  GLU  59           HG3      GLU  59  -2.108   6.576   6.608
  481    H    LEU  60           H        LEU  60  -2.793   8.931   2.224
  482    HA   LEU  60           HA       LEU  60  -0.723   7.166   1.270
  483    HB2  LEU  60           HB2      LEU  60  -2.295   9.369  -0.139
  484    HB3  LEU  60           HB3      LEU  60  -1.234   8.219  -0.945
  485    HG   LEU  60           HG       LEU  60  -3.767   7.484   0.577
  486   HD11  LEU  60          HD11      LEU  60  -4.658   6.985  -1.679
  487   HD12  LEU  60          HD12      LEU  60  -4.204   8.689  -1.522
  488   HD13  LEU  60          HD13      LEU  60  -3.144   7.563  -2.407
  489   HD21  LEU  60          HD21      LEU  60  -2.170   5.620   0.688
  490   HD22  LEU  60          HD22      LEU  60  -3.428   5.232  -0.487
  491   HD23  LEU  60          HD23      LEU  60  -1.830   5.766  -1.053
  492    H    LEU  61           H        LEU  61  -0.834  10.744   1.643
  493    HA   LEU  61           HA       LEU  61   1.811  11.132   0.547
  494    HB2  LEU  61           HB2      LEU  61  -0.003  12.850   2.289
  495    HB3  LEU  61           HB3      LEU  61   1.579  13.401   1.732
  496    HG   LEU  61           HG       LEU  61  -0.638  12.533  -0.164
  497   HD11  LEU  61          HD11      LEU  61  -1.044  14.905  -0.576
  498   HD12  LEU  61          HD12      LEU  61  -1.283  14.552   1.141
  499   HD13  LEU  61          HD13      LEU  61   0.204  15.362   0.596
  500   HD21  LEU  61          HD21      LEU  61   1.629  12.396  -1.186
  501   HD22  LEU  61          HD22      LEU  61   0.722  13.743  -1.867
  502   HD23  LEU  61          HD23      LEU  61   1.975  14.049  -0.654
  503    H    ARG  62           H        ARG  62   0.797  10.177   3.785
  504    HA   ARG  62           HA       ARG  62   3.314  10.627   5.119
  505    HB2  ARG  62           HB2      ARG  62   1.239   8.437   5.545
  506    HB3  ARG  62           HB3      ARG  62   2.597   8.758   6.618
  507    HG2  ARG  62           HG2      ARG  62   1.743  11.013   7.100
  508    HG3  ARG  62           HG3      ARG  62   0.364  10.732   6.023
  509    HD2  ARG  62           HD2      ARG  62  -0.284   8.758   7.448
  510    HD3  ARG  62           HD3      ARG  62   1.024   9.190   8.566
  511    HE   ARG  62           HE       ARG  62  -0.675  11.464   8.077
  512   HH11  ARG  62          HH11      ARG  62  -0.757   8.444   9.935
  513   HH12  ARG  62          HH12      ARG  62  -1.850   9.115  11.106
  514   HH21  ARG  62          HH21      ARG  62  -2.002  12.248   9.563
  515   HH22  ARG  62          HH22      ARG  62  -2.585  11.267  10.889
  516    H    GLN  63           H        GLN  63   2.365   8.243   2.719
  517    HA   GLN  63           HA       GLN  63   4.708   6.463   3.338
  518    HB2  GLN  63           HB2      GLN  63   2.103   6.010   1.810
  519    HB3  GLN  63           HB3      GLN  63   3.387   4.813   2.022
  520    HG2  GLN  63           HG2      GLN  63   3.030   4.744   4.423
  521    HG3  GLN  63           HG3      GLN  63   1.875   6.079   4.351
  522   HE21  GLN  63          HE22      GLN  63  -0.276   5.696   3.652
  523   HE22  GLN  63          HE21      GLN  63  -0.859   4.057   3.346
  524    H    GLY  64           H        GLY  64   2.908   7.780   0.480
  525    HA2  GLY  64           HA2      GLY  64   4.797   6.706  -1.359
  526    HA3  GLY  64           HA3      GLY  64   3.478   7.839  -1.733
  527    H    LEU  65           H        LEU  65   4.587  10.009  -0.008
  528    HA   LEU  65           HA       LEU  65   6.066  11.260  -2.098
  529    HB2  LEU  65           HB2      LEU  65   4.560  12.380  -0.511
  530    HB3  LEU  65           HB3      LEU  65   5.653  12.072   0.822
  531    HG   LEU  65           HG       LEU  65   5.523  14.409  -0.242
  532   HD11  LEU  65          HD11      LEU  65   8.268  13.191   0.210
  533   HD12  LEU  65          HD12      LEU  65   7.856  14.915   0.241
  534   HD13  LEU  65          HD13      LEU  65   7.160  13.837   1.446
  535   HD21  LEU  65          HD21      LEU  65   6.966  14.924  -2.119
  536   HD22  LEU  65          HD22      LEU  65   7.442  13.232  -2.290
  537   HD23  LEU  65          HD23      LEU  65   5.768  13.719  -2.607
  538    H    LYS  66           H        LYS  66   7.277  10.053   1.067
  539    HA   LYS  66           HA       LYS  66  10.030  10.642   0.491
  540    HB2  LYS  66           HB2      LYS  66  10.523   9.180   2.401
  541    HB3  LYS  66           HB3      LYS  66   9.295  10.390   2.750
  542    HG2  LYS  66           HG2      LYS  66   7.525   8.645   2.550
  543    HG3  LYS  66           HG3      LYS  66   8.777   7.436   2.175
  544    HD2  LYS  66           HD2      LYS  66   9.827   7.849   4.382
  545    HD3  LYS  66           HD3      LYS  66   8.588   9.078   4.744
  546    HE2  LYS  66           HE2      LYS  66   6.812   7.343   4.536
  547    HE3  LYS  66           HE3      LYS  66   8.049   6.120   4.189
  548    HZ1  LYS  66           HZ1      LYS  66   8.974   6.526   6.408
  549    HZ2  LYS  66           HZ2      LYS  66   7.829   7.656   6.730
  550    HZ3  LYS  66           HZ3      LYS  66   7.403   6.089   6.529
  551    H    GLU  67           H        GLU  67   8.065   7.921  -0.508
  552    HA   GLU  67           HA       GLU  67  10.352   6.303  -1.404
  553    HB2  GLU  67           HB2      GLU  67   7.351   6.064  -1.857
  554    HB3  GLU  67           HB3      GLU  67   8.535   4.928  -2.489
  555    HG2  GLU  67           HG2      GLU  67   8.124   5.524   0.476
  556    HG3  GLU  67           HG3      GLU  67   7.440   4.156  -0.392
  557    H    TYR  68           H        TYR  68   8.020   8.582  -2.890
  558    HA   TYR  68           HA       TYR  68   8.727   8.175  -5.608
  559    HB2  TYR  68           HB2      TYR  68   6.719   9.382  -4.592
  560    HB3  TYR  68           HB3      TYR  68   7.769  10.760  -4.312
  561    HD1  TYR  68           HD1      TYR  68   6.289   8.525  -6.875
  562    HD2  TYR  68           HD2      TYR  68   8.276  12.292  -6.165
  563    HE1  TYR  68           HE1      TYR  68   5.717   9.258  -9.186
  564    HE2  TYR  68           HE2      TYR  68   7.702  13.029  -8.457
  565    HH   TYR  68           HH       TYR  68   6.673  12.468 -10.440
  566    H    SER  69           H        SER  69  10.121  10.339  -3.135
  567    HA   SER  69           HA       SER  69  12.174  11.441  -4.938
  568    HB2  SER  69           HB2      SER  69  13.022  12.404  -2.783
  569    HB3  SER  69           HB3      SER  69  11.341  12.829  -3.157
  570    HG   SER  69           HG       SER  69  11.420  12.253  -1.027
  571    H    SER  70           H        SER  70  12.388   9.617  -1.958
  572    HA   SER  70           HA       SER  70  13.644   7.483  -1.686
  573    HB2  SER  70           HB2      SER  70  15.925   9.029  -2.975
  574    HB3  SER  70           HB3      SER  70  16.050   7.463  -2.161
  575    HG   SER  70           HG       SER  70  14.572   8.118  -4.460
  576    H    TRP  71           H        TRP  71  13.840  10.835  -1.040
  577    HA   TRP  71           HA       TRP  71  15.786  10.901   1.067
  578    HB2  TRP  71           HB2      TRP  71  15.297  12.895  -0.066
  579    HB3  TRP  71           HB3      TRP  71  13.567  12.698   0.122
  580    HD1  TRP  71           HD1      TRP  71  12.449  13.894   2.021
  581    HE1  TRP  71           HE1      TRP  71  13.164  15.315   4.022
  582    HE3  TRP  71           HE3      TRP  71  17.487  13.020   1.843
  583    HZ2  TRP  71           HZ2      TRP  71  15.607  15.886   5.461
  584    HZ3  TRP  71           HZ3      TRP  71  18.982  13.973   3.580
  585    HH2  TRP  71           HH2      TRP  71  18.050  15.389   5.400
  586    HA   PRO  72           HA       PRO  72  12.932   9.193   4.199
  587    HB2  PRO  72           HB2      PRO  72  14.682   8.852   6.246
  588    HB3  PRO  72           HB3      PRO  72  14.682   7.777   4.812
  589    HG2  PRO  72           HG2      PRO  72  16.501  10.140   5.370
  590    HG3  PRO  72           HG3      PRO  72  16.948   8.514   4.765
  591    HD2  PRO  72           HD2      PRO  72  16.568  10.705   3.130
  592    HD3  PRO  72           HD3      PRO  72  16.247   9.026   2.599
  593    H    THR  73           H        THR  73  11.814  10.157   5.827
  594    HA   THR  73           HA       THR  73  11.115  11.529   7.451
  595    HB   THR  73           HB       THR  73  13.833  11.648   7.863
  596    HG1  THR  73           HG1      THR  73  12.440  11.358   9.453
  597   HG21  THR  73          HG21      THR  73  13.945  13.956   6.747
  598   HG22  THR  73          HG22      THR  73  12.949  14.548   8.090
  599   HG23  THR  73          HG23      THR  73  14.536  13.840   8.407
  600    H    PHE  74           H        PHE  74  10.530  13.799   7.946
  601    HA   PHE  74           HA       PHE  74  10.139  15.414   5.465
  602    HB2  PHE  74           HB2      PHE  74   8.172  15.049   7.752
  603    HB3  PHE  74           HB3      PHE  74   7.902  15.982   6.287
  604    HD1  PHE  74           HD1      PHE  74   8.703  14.240   4.073
  605    HD2  PHE  74           HD2      PHE  74   6.727  13.212   7.770
  606    HE1  PHE  74           HE1      PHE  74   7.721  12.237   3.004
  607    HE2  PHE  74           HE2      PHE  74   5.725  11.226   6.679
  608    HZ   PHE  74           HZ       PHE  74   6.217  10.737   4.286
  609    HA   PRO  75           HA       PRO  75   9.023  17.673   5.239
  610    HB2  PRO  75           HB2      PRO  75   9.902  20.146   4.605
  611    HB3  PRO  75           HB3      PRO  75   8.918  19.854   6.067
  612    HG2  PRO  75           HG2      PRO  75  11.953  20.003   5.915
  613    HG3  PRO  75           HG3      PRO  75  10.855  20.960   6.972
  614    HD2  PRO  75           HD2      PRO  75  12.029  18.668   7.840
  615    HD3  PRO  75           HD3      PRO  75  10.355  19.082   8.306
  616    H    GLN  76           H        GLN  76   9.703  18.593   2.947
  617    HA   GLN  76           HA       GLN  76  12.403  17.749   2.074
  618    HB2  GLN  76           HB2      GLN  76  10.982  15.709   2.028
  619    HB3  GLN  76           HB3      GLN  76   9.802  16.555   1.034
  620    HG2  GLN  76           HG2      GLN  76  11.605  16.805  -0.754
  621    HG3  GLN  76           HG3      GLN  76  12.640  15.763   0.226
  622   HE21  GLN  76          HE22      GLN  76   9.702  15.902  -1.810
  623   HE22  GLN  76          HE21      GLN  76   9.508  14.160  -1.879
  624    H    LEU  77           H        LEU  77  13.122  18.870   0.331
  625    HA   LEU  77           HA       LEU  77  11.283  20.702  -1.134
  626    HB2  LEU  77           HB2      LEU  77  13.178  21.792  -0.009
  627    HB3  LEU  77           HB3      LEU  77  14.308  20.670  -0.749
  628    HG   LEU  77           HG       LEU  77  13.782  21.651  -3.014
  629   HD11  LEU  77          HD11      LEU  77  11.486  22.466  -2.597
  630   HD12  LEU  77          HD12      LEU  77  12.130  23.647  -1.436
  631   HD13  LEU  77          HD13      LEU  77  12.554  23.752  -3.155
  632   HD21  LEU  77          HD21      LEU  77  14.619  23.631  -0.898
  633   HD22  LEU  77          HD22      LEU  77  15.681  22.462  -1.713
  634   HD23  LEU  77          HD23      LEU  77  14.939  23.768  -2.645
  635    H    TYR  78           H        TYR  78  11.024  20.512  -3.282
  636    HA   TYR  78           HA       TYR  78  12.533  18.491  -4.866
  637    HB2  TYR  78           HB2      TYR  78  10.175  17.842  -3.772
  638    HB3  TYR  78           HB3      TYR  78   9.542  18.786  -5.104
  639    HD1  TYR  78           HD1      TYR  78  10.244  18.063  -7.527
  640    HD2  TYR  78           HD2      TYR  78  10.743  15.599  -4.023
  641    HE1  TYR  78           HE1      TYR  78  10.408  16.048  -8.951
  642    HE2  TYR  78           HE2      TYR  78  10.852  13.568  -5.462
  643    HH   TYR  78           HH       TYR  78  10.776  13.763  -9.031
  644    H    ILE  79           H        ILE  79  12.776  19.033  -7.075
  645    HA   ILE  79           HA       ILE  79  11.595  21.615  -7.989
  646    HB   ILE  79           HB       ILE  79  14.571  21.072  -8.244
  647   HG12  ILE  79          HG12      ILE  79  13.193  22.842  -6.166
  648   HG13  ILE  79          HG13      ILE  79  14.126  21.372  -5.841
  649   HG21  ILE  79          HG21      ILE  79  14.611  23.426  -8.974
  650   HG22  ILE  79          HG22      ILE  79  13.418  22.552  -9.931
  651   HG23  ILE  79          HG23      ILE  79  12.876  23.588  -8.601
  652   HD11  ILE  79          HD11      ILE  79  15.227  24.006  -6.856
  653   HD12  ILE  79          HD12      ILE  79  15.514  23.221  -5.299
  654   HD13  ILE  79          HD13      ILE  79  16.164  22.494  -6.784
  655    H    ASP  80           H        ASP  80  10.684  21.308  -9.805
  656    HA   ASP  80           HA       ASP  80  10.013  20.751 -11.841
  657    HB2  ASP  80           HB2      ASP  80  12.133  22.020 -12.165
  658    HB3  ASP  80           HB3      ASP  80  12.987  20.489 -12.382
  659    H    GLY  81           H        GLY  81  11.924  18.211 -10.485
  660    HA2  GLY  81           HA2      GLY  81  10.558  16.008 -11.682
  661    HA3  GLY  81           HA3      GLY  81  11.983  16.375 -12.637
  662    H    GLU  82           H        GLU  82  13.332  17.288  -9.906
  663    HA   GLU  82           HA       GLU  82  13.819  14.580  -8.768
  664    HB2  GLU  82           HB2      GLU  82  16.151  15.027  -8.744
  665    HB3  GLU  82           HB3      GLU  82  15.536  15.377 -10.370
  666    HG2  GLU  82           HG2      GLU  82  15.538  17.818  -9.824
  667    HG3  GLU  82           HG3      GLU  82  16.269  17.446  -8.261
  668    H    PHE  83           H        PHE  83  14.506  14.491  -6.588
  669    HA   PHE  83           HA       PHE  83  13.458  16.645  -4.901
  670    HB2  PHE  83           HB2      PHE  83  13.560  15.199  -3.114
  671    HB3  PHE  83           HB3      PHE  83  13.091  14.182  -4.460
  672    HD1  PHE  83           HD2      PHE  83  14.763  12.537  -5.444
  673    HD2  PHE  83           HD1      PHE  83  15.598  14.861  -1.908
  674    HE1  PHE  83           HE2      PHE  83  16.605  10.986  -4.851
  675    HE2  PHE  83           HE1      PHE  83  17.437  13.323  -1.322
  676    HZ   PHE  83           HZ       PHE  83  17.952  11.369  -2.792
  677    H    PHE  84           H        PHE  84  14.641  17.825  -3.382
  678    HA   PHE  84           HA       PHE  84  17.545  18.145  -3.972
  679    HB2  PHE  84           HB2      PHE  84  15.794  20.053  -4.072
  680    HB3  PHE  84           HB3      PHE  84  15.800  19.979  -2.316
  681    HD1  PHE  84           HD2      PHE  84  17.916  20.548  -1.050
  682    HD2  PHE  84           HD1      PHE  84  17.647  20.912  -5.339
  683    HE1  PHE  84           HE2      PHE  84  20.034  21.826  -1.076
  684    HE2  PHE  84           HE1      PHE  84  19.744  22.227  -5.356
  685    HZ   PHE  84           HZ       PHE  84  20.954  22.675  -3.235
  686    H    GLY  85           H        GLY  85  15.270  17.479  -1.319
  687    HA2  GLY  85           HA2      GLY  85  16.052  15.845   0.416
  688    HA3  GLY  85           HA3      GLY  85  17.537  16.802   0.543
  689    H    GLY  86           H        GLY  86  17.255  17.348   2.696
  690    HA2  GLY  86           HA2      GLY  86  14.757  18.408   3.765
  691    HA3  GLY  86           HA3      GLY  86  16.296  18.241   4.625
  692    H    CYS  87           H        CYS  87  14.632  20.390   5.033
  693    HA   CYS  87           HA       CYS  87  15.367  22.694   3.491
  694    HB2  CYS  87           HB2      CYS  87  14.164  22.396   6.295
  695    HB3  CYS  87           HB3      CYS  87  14.326  23.941   5.426
  696    HG   CYS  87           HG       CYS  87  11.818  22.929   5.307
  697    H    ASP  88           H        ASP  88  16.741  21.423   6.569
  698    HA   ASP  88           HA       ASP  88  18.705  23.458   6.948
  699    HB2  ASP  88           HB2      ASP  88  18.158  21.836   8.666
  700    HB3  ASP  88           HB3      ASP  88  18.710  20.498   7.648
  701    H    ILE  89           H        ILE  89  18.887  20.416   5.052
  702    HA   ILE  89           HA       ILE  89  21.548  20.802   4.007
  703    HB   ILE  89           HB       ILE  89  19.165  19.319   2.811
  704   HG12  ILE  89          HG12      ILE  89  21.589  18.366   4.408
  705   HG13  ILE  89          HG13      ILE  89  19.931  18.454   5.005
  706   HG21  ILE  89          HG21      ILE  89  20.770  19.900   1.021
  707   HG22  ILE  89          HG22      ILE  89  22.099  19.206   1.987
  708   HG23  ILE  89          HG23      ILE  89  20.793  18.182   1.344
  709   HD11  ILE  89          HD11      ILE  89  21.006  16.553   2.899
  710   HD12  ILE  89          HD12      ILE  89  20.357  16.178   4.498
  711   HD13  ILE  89          HD13      ILE  89  19.269  16.787   3.230
  712    H    THR  90           H        THR  90  18.395  22.004   2.854
  713    HA   THR  90           HA       THR  90  19.395  23.325   0.499
  714    HB   THR  90           HB       THR  90  16.953  24.068   2.135
  715    HG1  THR  90           HG1      THR  90  16.900  21.889   1.448
  716   HG21  THR  90          HG21      THR  90  17.700  24.558  -0.780
  717   HG22  THR  90          HG22      THR  90  16.145  24.949  -0.036
  718   HG23  THR  90          HG23      THR  90  17.586  25.810   0.483
  719    H    VAL  91           H        VAL  91  18.900  24.552   3.846
  720    HA   VAL  91           HA       VAL  91  19.857  27.186   3.326
  721    HB   VAL  91           HB       VAL  91  19.984  25.553   5.886
  722   HG11  VAL  91          HG11      VAL  91  20.622  28.509   5.470
  723   HG12  VAL  91          HG12      VAL  91  20.339  27.746   7.053
  724   HG13  VAL  91          HG13      VAL  91  21.726  27.257   6.082
  725   HG21  VAL  91          HG21      VAL  91  18.110  27.035   6.556
  726   HG22  VAL  91          HG22      VAL  91  18.156  27.822   4.969
  727   HG23  VAL  91          HG23      VAL  91  17.714  26.110   5.105
  728    H    GLU  92           H        GLU  92  21.758  24.250   4.299
  729    HA   GLU  92           HA       GLU  92  24.313  25.567   4.211
  730    HB2  GLU  92           HB2      GLU  92  23.509  22.641   3.937
  731    HB3  GLU  92           HB3      GLU  92  25.180  23.195   4.022
  732    HG2  GLU  92           HG2      GLU  92  23.096  23.687   6.196
  733    HG3  GLU  92           HG3      GLU  92  24.282  22.389   6.204
  734    H    ALA  93           H        ALA  93  22.459  23.837   1.663
  735    HA   ALA  93           HA       ALA  93  24.451  23.964  -0.368
  736    HB1  ALA  93           HB1      ALA  93  22.467  22.506  -0.438
  737    HB2  ALA  93           HB2      ALA  93  21.412  23.932  -0.576
  738    HB3  ALA  93           HB3      ALA  93  22.559  23.540  -1.875
  739    H    TYR  94           H        TYR  94  21.876  26.321   0.530
  740    HA   TYR  94           HA       TYR  94  22.516  28.213  -1.529
  741    HB2  TYR  94           HB2      TYR  94  20.382  28.112  -0.280
  742    HB3  TYR  94           HB3      TYR  94  21.212  28.614   1.183
  743    HD1  TYR  94           HD1      TYR  94  20.771  29.721  -2.402
  744    HD2  TYR  94           HD2      TYR  94  21.176  30.910   1.721
  745    HE1  TYR  94           HE1      TYR  94  20.353  32.084  -3.049
  746    HE2  TYR  94           HE2      TYR  94  20.767  33.278   1.081
  747    HH   TYR  94           HH       TYR  94  20.329  34.738  -0.635
  748    H    LYS  95           H        LYS  95  23.705  27.871   1.825
  749    HA   LYS  95           HA       LYS  95  25.387  30.221   1.827
  750    HB2  LYS  95           HB2      LYS  95  25.376  27.627   3.428
  751    HB3  LYS  95           HB3      LYS  95  26.522  28.939   3.733
  752    HG2  LYS  95           HG2      LYS  95  24.801  30.473   4.366
  753    HG3  LYS  95           HG3      LYS  95  23.522  29.443   3.733
  754    HD2  LYS  95           HD2      LYS  95  23.528  29.300   6.142
  755    HD3  LYS  95           HD3      LYS  95  24.002  27.738   5.454
  756    HE2  LYS  95           HE2      LYS  95  26.413  28.352   5.861
  757    HE3  LYS  95           HE3      LYS  95  25.868  29.843   6.647
  758    HZ1  LYS  95           HZ1      LYS  95  24.714  28.451   8.287
  759    HZ2  LYS  95           HZ2      LYS  95  25.198  27.076   7.513
  760    HZ3  LYS  95           HZ3      LYS  95  26.301  28.050   8.243
  761    H    SER  96           H        SER  96  25.976  26.897   0.717
  762    HA   SER  96           HA       SER  96  28.827  27.464   0.135
  763    HB2  SER  96           HB2      SER  96  28.871  25.068  -0.516
  764    HB3  SER  96           HB3      SER  96  28.365  25.361   1.148
  765    HG   SER  96           HG       SER  96  26.296  24.868   0.655
  766    H    GLY  97           H        GLY  97  25.915  27.805  -1.664
  767    HA2  GLY  97           HA2      GLY  97  25.861  28.862  -3.783
  768    HA3  GLY  97           HA3      GLY  97  27.485  28.255  -4.155
  769    H    GLU  98           H        GLU  98  25.837  25.688  -2.906
  770    HA   GLU  98           HA       GLU  98  25.757  24.306  -5.449
  771    HB2  GLU  98           HB2      GLU  98  24.812  23.488  -2.678
  772    HB3  GLU  98           HB3      GLU  98  24.968  22.398  -4.048
  773    HG2  GLU  98           HG2      GLU  98  27.274  23.922  -2.745
  774    HG3  GLU  98           HG3      GLU  98  26.846  22.245  -2.439
  775    H    LEU  99           H        LEU  99  23.241  25.767  -3.350
  776    HA   LEU  99           HA       LEU  99  21.011  24.584  -4.799
  777    HB2  LEU  99           HB2      LEU  99  20.774  25.478  -2.494
  778    HB3  LEU  99           HB3      LEU  99  21.180  27.099  -3.073
  779    HG   LEU  99           HG       LEU  99  19.116  27.079  -4.507
  780   HD11  LEU  99          HD11      LEU  99  17.357  25.400  -4.060
  781   HD12  LEU  99          HD12      LEU  99  18.779  24.658  -4.789
  782   HD13  LEU  99          HD13      LEU  99  18.488  24.483  -3.043
  783   HD21  LEU  99          HD21      LEU  99  18.739  26.629  -1.524
  784   HD22  LEU  99          HD22      LEU  99  19.051  28.170  -2.356
  785   HD23  LEU  99          HD23      LEU  99  17.517  27.335  -2.614
  786    H    GLN 100           H        GLN 100  22.694  27.732  -4.992
  787    HA   GLN 100           HA       GLN 100  21.169  28.921  -7.049
  788    HB2  GLN 100           HB2      GLN 100  24.163  29.241  -6.484
  789    HB3  GLN 100           HB3      GLN 100  23.171  30.287  -7.487
  790    HG2  GLN 100           HG2      GLN 100  23.164  31.521  -5.582
  791    HG3  GLN 100           HG3      GLN 100  21.705  30.578  -5.299
  792   HE21  GLN 100          HE22      GLN 100  23.882  31.890  -3.432
  793   HE22  GLN 100          HE21      GLN 100  24.160  30.552  -2.316
  794    H    GLU 101           H        GLU 101  24.165  26.916  -7.398
  795    HA   GLU 101           HA       GLU 101  24.189  26.927 -10.215
  796    HB2  GLU 101           HB2      GLU 101  26.028  26.135  -8.668
  797    HB3  GLU 101           HB3      GLU 101  25.114  24.636  -8.434
  798    HG2  GLU 101           HG2      GLU 101  25.155  24.347 -10.977
  799    HG3  GLU 101           HG3      GLU 101  26.237  25.732 -11.054
  800    H    GLN 102           H        GLN 102  22.625  24.480  -8.005
  801    HA   GLN 102           HA       GLN 102  21.625  22.948 -10.209
  802    HB2  GLN 102           HB2      GLN 102  20.817  23.002  -7.294
  803    HB3  GLN 102           HB3      GLN 102  20.184  21.857  -8.491
  804    HG2  GLN 102           HG2      GLN 102  22.348  20.886  -8.895
  805    HG3  GLN 102           HG3      GLN 102  23.179  22.146  -7.979
  806   HE21  GLN 102          HE22      GLN 102  22.802  22.250  -5.621
  807   HE22  GLN 102          HE21      GLN 102  22.406  20.745  -4.773
  808    H    VAL 103           H        VAL 103  20.152  25.661  -8.398
  809    HA   VAL 103           HA       VAL 103  17.555  25.413  -9.650
  810    HB   VAL 103           HB       VAL 103  18.966  27.674  -8.221
  811   HG11  VAL 103          HG11      VAL 103  16.139  27.730  -9.362
  812   HG12  VAL 103          HG12      VAL 103  16.773  28.878  -8.166
  813   HG13  VAL 103          HG13      VAL 103  17.479  28.826  -9.781
  814   HG21  VAL 103          HG21      VAL 103  18.110  25.687  -6.902
  815   HG22  VAL 103          HG22      VAL 103  17.275  27.186  -6.476
  816   HG23  VAL 103          HG23      VAL 103  16.490  26.003  -7.539
  817    H    GLU 104           H        GLU 104  20.528  27.290 -10.566
  818    HA   GLU 104           HA       GLU 104  19.412  28.398 -12.958
  819    HB2  GLU 104           HB2      GLU 104  22.250  27.730 -12.098
  820    HB3  GLU 104           HB3      GLU 104  21.882  28.329 -13.715
  821    HG2  GLU 104           HG2      GLU 104  20.770  30.322 -12.749
  822    HG3  GLU 104           HG3      GLU 104  21.204  29.781 -11.130
  823    H    LYS 105           H        LYS 105  21.143  25.271 -12.380
  824    HA   LYS 105           HA       LYS 105  20.861  24.284 -15.044
  825    HB2  LYS 105           HB2      LYS 105  21.235  22.936 -12.366
  826    HB3  LYS 105           HB3      LYS 105  21.095  22.014 -13.868
  827    HG2  LYS 105           HG2      LYS 105  23.011  23.106 -14.842
  828    HG3  LYS 105           HG3      LYS 105  23.152  24.234 -13.490
  829    HD2  LYS 105           HD2      LYS 105  23.735  22.430 -11.963
  830    HD3  LYS 105           HD3      LYS 105  23.456  21.212 -13.228
  831    HE2  LYS 105           HE2      LYS 105  25.261  22.154 -14.599
  832    HE3  LYS 105           HE3      LYS 105  25.526  23.456 -13.429
  833    HZ1  LYS 105           HZ1      LYS 105  25.883  20.580 -12.773
  834    HZ2  LYS 105           HZ2      LYS 105  27.104  21.568 -13.224
  835    HZ3  LYS 105           HZ3      LYS 105  26.314  21.868 -11.830
  836    H    ALA 106           H        ALA 106  18.526  24.069 -12.315
  837    HA   ALA 106           HA       ALA 106  16.596  22.479 -13.688
  838    HB1  ALA 106           HB1      ALA 106  16.137  24.630 -11.577
  839    HB2  ALA 106           HB2      ALA 106  15.016  23.333 -12.024
  840    HB3  ALA 106           HB3      ALA 106  16.562  22.933 -11.251
  841    H    MET 107           H        MET 107  17.231  25.985 -13.892
  842    HA   MET 107           HA       MET 107  14.857  26.580 -15.475
  843    HB2  MET 107           HB2      MET 107  17.427  28.131 -14.951
  844    HB3  MET 107           HB3      MET 107  16.066  28.749 -15.886
  845    HG2  MET 107           HG2      MET 107  14.578  28.612 -13.990
  846    HG3  MET 107           HG3      MET 107  15.792  27.776 -13.019
  847    HE1  MET 107           HE1      MET 107  15.507  31.124 -11.118
  848    HE2  MET 107           HE2      MET 107  14.177  30.317 -11.975
  849    HE3  MET 107           HE3      MET 107  15.355  29.354 -11.060
  850    H    CYS 108           H        CYS 108  18.320  25.969 -16.319
  851    HA   CYS 108           HA       CYS 108  17.640  26.154 -19.192
  852    HB2  CYS 108           HB2      CYS 108  19.989  26.218 -19.569
  853    HB3  CYS 108           HB3      CYS 108  19.654  27.271 -18.189
  854    HG   CYS 108           HG       CYS 108  21.932  26.009 -17.781
  855    H    SER 109           H        SER 109  17.318  23.662 -17.106
  856    HA   SER 109           HA       SER 109  18.432  21.344 -17.968
  857    HB2  SER 109           HB2      SER 109  15.585  21.897 -17.109
  858    HB3  SER 109           HB3      SER 109  16.143  20.256 -17.487
  859    HG   SER 109           HG       SER 109  17.673  21.931 -15.818
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  -3.986  -0.477  -1.017
    2    H2   MET   1           H2       MET   1  -5.023  -0.878  -2.220
    3    H3   MET   1           H3       MET   1  -3.421  -1.132  -2.406
    4    HA   MET   1           HA       MET   1  -4.105   0.780  -3.687
    5    HB2  MET   1           HB2      MET   1  -6.021   1.316  -2.111
    6    HB3  MET   1           HB3      MET   1  -4.848   2.057  -1.018
    7    HG2  MET   1           HG2      MET   1  -4.244   3.682  -2.795
    8    HG3  MET   1           HG3      MET   1  -5.363   2.881  -3.907
    9    HE1  MET   1           HE1      MET   1  -5.313   6.005  -3.329
   10    HE2  MET   1           HE2      MET   1  -6.450   5.234  -4.457
   11    HE3  MET   1           HE3      MET   1  -7.050   6.363  -3.225
   12    H    ALA   2           H        ALA   2  -2.531   2.372  -4.144
   13    HA   ALA   2           HA       ALA   2  -0.373   3.004  -2.246
   14    HB1  ALA   2           HB1      ALA   2   0.214   0.736  -3.127
   15    HB2  ALA   2           HB2      ALA   2   0.163   1.378  -4.783
   16    HB3  ALA   2           HB3      ALA   2   1.381   1.963  -3.622
   17    H    LEU   3           H        LEU   3   1.461   3.816  -4.348
   18    HA   LEU   3           HA       LEU   3   0.355   6.397  -5.046
   19    HB2  LEU   3           HB2      LEU   3   2.640   5.929  -4.175
   20    HB3  LEU   3           HB3      LEU   3   3.034   5.088  -5.671
   21    HG   LEU   3           HG       LEU   3   2.930   7.197  -6.914
   22   HD11  LEU   3          HD11      LEU   3   1.138   8.391  -5.767
   23   HD12  LEU   3          HD12      LEU   3   2.103   8.470  -4.278
   24   HD13  LEU   3          HD13      LEU   3   2.615   9.367  -5.729
   25   HD21  LEU   3          HD21      LEU   3   4.841   8.293  -5.968
   26   HD22  LEU   3          HD22      LEU   3   4.523   7.586  -4.371
   27   HD23  LEU   3          HD23      LEU   3   5.018   6.551  -5.732
   28    H    THR   4           H        THR   4  -1.148   4.377  -6.306
   29    HA   THR   4           HA       THR   4  -0.452   4.315  -9.177
   30    HB   THR   4           HB       THR   4  -2.444   2.790  -9.293
   31    HG1  THR   4           HG1      THR   4  -3.284   2.079  -7.356
   32   HG21  THR   4          HG21      THR   4  -1.319   0.887  -8.231
   33   HG22  THR   4          HG22      THR   4  -0.137   1.911  -9.072
   34   HG23  THR   4          HG23      THR   4  -0.281   1.981  -7.297
   35    HA   PRO   5           HA       PRO   5  -4.564   6.606  -9.574
   36    HB2  PRO   5           HB2      PRO   5  -5.688   8.111  -7.640
   37    HB3  PRO   5           HB3      PRO   5  -5.712   6.328  -7.549
   38    HG2  PRO   5           HG2      PRO   5  -3.740   8.213  -6.213
   39    HG3  PRO   5           HG3      PRO   5  -4.705   6.909  -5.456
   40    HD2  PRO   5           HD2      PRO   5  -2.132   6.578  -6.315
   41    HD3  PRO   5           HD3      PRO   5  -3.333   5.243  -6.336
   42    H    ALA   6           H        ALA   6  -5.337   9.168  -9.431
   43    HA   ALA   6           HA       ALA   6  -3.414  10.650 -10.850
   44    HB1  ALA   6           HB1      ALA   6  -5.864  10.889 -11.045
   45    HB2  ALA   6           HB2      ALA   6  -5.940  11.582  -9.408
   46    HB3  ALA   6           HB3      ALA   6  -5.095  12.450 -10.703
   47    H    LEU   7           H        LEU   7  -3.423  10.226  -7.491
   48    HA   LEU   7           HA       LEU   7  -2.363  12.608  -6.408
   49    HB2  LEU   7           HB2      LEU   7  -3.009  10.413  -5.273
   50    HB3  LEU   7           HB3      LEU   7  -1.514   9.714  -5.851
   51    HG   LEU   7           HG       LEU   7  -1.336  10.263  -3.537
   52   HD11  LEU   7          HD11      LEU   7   0.686  11.495  -3.415
   53   HD12  LEU   7          HD12      LEU   7   0.708  10.725  -5.012
   54   HD13  LEU   7          HD13      LEU   7   0.298  12.445  -4.849
   55   HD21  LEU   7          HD21      LEU   7  -3.079  12.015  -3.433
   56   HD22  LEU   7          HD22      LEU   7  -1.594  12.482  -2.593
   57   HD23  LEU   7          HD23      LEU   7  -1.959  13.172  -4.188
   58    H    LYS   8           H        LYS   8  -0.552   9.877  -7.935
   59    HA   LYS   8           HA       LYS   8   1.991  11.150  -7.831
   60    HB2  LYS   8           HB2      LYS   8   1.335   8.653  -8.262
   61    HB3  LYS   8           HB3      LYS   8   1.179   9.135  -9.959
   62    HG2  LYS   8           HG2      LYS   8   3.577  10.065  -9.770
   63    HG3  LYS   8           HG3      LYS   8   3.612   9.380  -8.140
   64    HD2  LYS   8           HD2      LYS   8   4.758   7.868  -9.615
   65    HD3  LYS   8           HD3      LYS   8   3.243   7.096  -9.144
   66    HE2  LYS   8           HE2      LYS   8   2.202   7.773 -11.292
   67    HE3  LYS   8           HE3      LYS   8   3.697   8.604 -11.764
   68    HZ1  LYS   8           HZ1      LYS   8   3.548   6.383 -12.734
   69    HZ2  LYS   8           HZ2      LYS   8   4.830   6.449 -11.718
   70    HZ3  LYS   8           HZ3      LYS   8   3.457   5.683 -11.263
   71    H    THR   9           H        THR   9  -0.400  11.084 -10.524
   72    HA   THR   9           HA       THR   9   0.929  12.641 -12.423
   73    HB   THR   9           HB       THR   9  -2.018  12.771 -11.944
   74    HG1  THR   9           HG1      THR   9  -1.994  10.747 -13.182
   75   HG21  THR   9          HG21      THR   9  -0.295  12.485 -14.428
   76   HG22  THR   9          HG22      THR   9  -2.072  12.639 -14.402
   77   HG23  THR   9          HG23      THR   9  -1.051  13.996 -13.870
   78    H    THR  10           H        THR  10  -1.084  13.697  -9.672
   79    HA   THR  10           HA       THR  10  -1.013  16.512 -10.247
   80    HB   THR  10           HB       THR  10  -1.337  15.131  -7.541
   81    HG1  THR  10           HG1      THR  10  -2.869  14.416  -9.007
   82   HG21  THR  10          HG21      THR  10  -2.159  17.903  -8.537
   83   HG22  THR  10          HG22      THR  10  -2.633  17.186  -6.983
   84   HG23  THR  10          HG23      THR  10  -0.935  17.553  -7.295
   85    H    LEU  11           H        LEU  11   1.036  14.494  -8.068
   86    HA   LEU  11           HA       LEU  11   2.846  16.569  -7.326
   87    HB2  LEU  11           HB2      LEU  11   3.439  13.596  -7.723
   88    HB3  LEU  11           HB3      LEU  11   4.472  14.747  -6.891
   89    HG   LEU  11           HG       LEU  11   1.703  13.877  -5.993
   90   HD11  LEU  11          HD11      LEU  11   2.922  12.764  -4.155
   91   HD12  LEU  11          HD12      LEU  11   3.430  12.139  -5.731
   92   HD13  LEU  11          HD13      LEU  11   4.465  13.290  -4.859
   93   HD21  LEU  11          HD21      LEU  11   3.647  15.784  -4.647
   94   HD22  LEU  11          HD22      LEU  11   2.036  16.186  -5.296
   95   HD23  LEU  11          HD23      LEU  11   2.175  15.115  -3.905
   96    H    ASP  12           H        ASP  12   3.132  14.283 -10.091
   97    HA   ASP  12           HA       ASP  12   5.501  15.305 -11.200
   98    HB2  ASP  12           HB2      ASP  12   4.375  13.211 -11.849
   99    HB3  ASP  12           HB3      ASP  12   3.107  14.134 -12.653
  100    H    LYS  13           H        LYS  13   2.128  16.334 -12.034
  101    HA   LYS  13           HA       LYS  13   2.905  18.494 -13.748
  102    HB2  LYS  13           HB2      LYS  13   0.417  17.979 -12.061
  103    HB3  LYS  13           HB3      LYS  13   0.559  19.361 -13.142
  104    HG2  LYS  13           HG2      LYS  13   0.815  16.469 -14.073
  105    HG3  LYS  13           HG3      LYS  13  -0.688  17.398 -14.082
  106    HD2  LYS  13           HD2      LYS  13   0.373  19.072 -15.606
  107    HD3  LYS  13           HD3      LYS  13   1.838  18.068 -15.661
  108    HE2  LYS  13           HE2      LYS  13   0.505  16.168 -16.540
  109    HE3  LYS  13           HE3      LYS  13  -0.957  17.163 -16.495
  110    HZ1  LYS  13           HZ1      LYS  13   1.443  17.734 -18.152
  111    HZ2  LYS  13           HZ2      LYS  13   0.037  17.123 -18.710
  112    HZ3  LYS  13           HZ3      LYS  13   0.079  18.645 -18.119
  113    H    VAL  14           H        VAL  14   2.296  18.494 -10.209
  114    HA   VAL  14           HA       VAL  14   2.776  21.270  -9.862
  115    HB   VAL  14           HB       VAL  14   2.862  18.981  -7.976
  116   HG11  VAL  14          HG11      VAL  14   3.409  21.882  -7.248
  117   HG12  VAL  14          HG12      VAL  14   2.947  20.629  -6.080
  118   HG13  VAL  14          HG13      VAL  14   4.461  20.480  -6.962
  119   HG21  VAL  14          HG21      VAL  14   1.042  21.420  -8.159
  120   HG22  VAL  14          HG22      VAL  14   0.656  19.833  -8.847
  121   HG23  VAL  14          HG23      VAL  14   0.816  20.013  -7.096
  122    H    VAL  15           H        VAL  15   5.158  18.546  -9.470
  123    HA   VAL  15           HA       VAL  15   7.282  20.371  -8.850
  124    HB   VAL  15           HB       VAL  15   8.873  18.576  -9.157
  125   HG11  VAL  15          HG11      VAL  15   7.917  16.979  -7.478
  126   HG12  VAL  15          HG12      VAL  15   7.743  18.678  -7.029
  127   HG13  VAL  15          HG13      VAL  15   6.350  17.769  -7.646
  128   HG21  VAL  15          HG21      VAL  15   8.234  16.313  -9.799
  129   HG22  VAL  15          HG22      VAL  15   6.590  16.849 -10.155
  130   HG23  VAL  15          HG23      VAL  15   7.941  17.428 -11.134
  131    H    THR  16           H        THR  16   6.214  19.117 -12.022
  132    HA   THR  16           HA       THR  16   8.451  20.329 -13.446
  133    HB   THR  16           HB       THR  16   7.054  19.932 -15.484
  134    HG1  THR  16           HG1      THR  16   5.383  18.442 -13.786
  135   HG21  THR  16          HG21      THR  16   7.454  17.534 -13.627
  136   HG22  THR  16          HG22      THR  16   7.230  17.470 -15.387
  137   HG23  THR  16          HG23      THR  16   8.663  18.249 -14.705
  138    H    SER  17           H        SER  17   5.155  21.470 -12.677
  139    HA   SER  17           HA       SER  17   5.416  23.837 -14.339
  140    HB2  SER  17           HB2      SER  17   3.472  23.335 -12.050
  141    HB3  SER  17           HB3      SER  17   3.335  24.571 -13.305
  142    HG   SER  17           HG       SER  17   3.115  21.761 -13.522
  143    H    HIS  18           H        HIS  18   5.801  23.344 -10.785
  144    HA   HIS  18           HA       HIS  18   6.510  26.227 -10.460
  145    HB2  HIS  18           HB2      HIS  18   5.984  23.996  -8.442
  146    HB3  HIS  18           HB3      HIS  18   6.312  25.686  -8.049
  147    HD1  HIS  18           HD1      HIS  18   4.333  27.488  -8.800
  148    HD2  HIS  18           HD2      HIS  18   3.478  23.389  -9.169
  149    HE1  HIS  18           HE1      HIS  18   1.816  27.304  -9.128
  150    H    LYS  19           H        LYS  19   8.232  23.486 -11.191
  151    HA   LYS  19           HA       LYS  19  10.324  22.682 -10.980
  152    HB2  LYS  19           HB2      LYS  19  10.822  25.653 -10.787
  153    HB3  LYS  19           HB3      LYS  19  12.140  24.522 -10.479
  154    HG2  LYS  19           HG2      LYS  19  12.303  25.064 -12.754
  155    HG3  LYS  19           HG3      LYS  19  11.687  23.416 -12.680
  156    HD2  LYS  19           HD2      LYS  19   9.339  24.392 -13.096
  157    HD3  LYS  19           HD3      LYS  19  10.125  25.969 -13.274
  158    HE2  LYS  19           HE2      LYS  19   9.910  25.207 -15.482
  159    HE3  LYS  19           HE3      LYS  19  11.598  24.862 -15.080
  160    HZ1  LYS  19           HZ1      LYS  19   9.356  22.899 -15.064
  161    HZ2  LYS  19           HZ2      LYS  19  10.586  22.978 -16.168
  162    HZ3  LYS  19           HZ3      LYS  19  10.896  22.521 -14.633
  163    H    VAL  20           H        VAL  20  10.327  25.044  -8.278
  164    HA   VAL  20           HA       VAL  20  11.646  22.930  -6.603
  165    HB   VAL  20           HB       VAL  20  11.254  25.876  -5.948
  166   HG11  VAL  20          HG11      VAL  20  13.015  25.267  -4.175
  167   HG12  VAL  20          HG12      VAL  20  11.395  24.619  -3.891
  168   HG13  VAL  20          HG13      VAL  20  12.674  23.575  -4.546
  169   HG21  VAL  20          HG21      VAL  20  12.895  25.539  -7.820
  170   HG22  VAL  20          HG22      VAL  20  13.649  26.143  -6.348
  171   HG23  VAL  20          HG23      VAL  20  13.809  24.429  -6.768
  172    H    VAL  21           H        VAL  21  10.504  21.847  -5.071
  173    HA   VAL  21           HA       VAL  21   7.976  23.059  -4.031
  174    HB   VAL  21           HB       VAL  21   8.175  20.137  -4.848
  175   HG11  VAL  21          HG11      VAL  21   5.700  20.231  -4.592
  176   HG12  VAL  21          HG12      VAL  21   6.526  20.626  -3.079
  177   HG13  VAL  21          HG13      VAL  21   5.822  21.923  -4.068
  178   HG21  VAL  21          HG21      VAL  21   6.929  22.445  -6.405
  179   HG22  VAL  21          HG22      VAL  21   8.261  21.393  -6.933
  180   HG23  VAL  21          HG23      VAL  21   6.648  20.727  -6.729
  181    H    LEU  22           H        LEU  22   7.797  22.949  -1.906
  182    HA   LEU  22           HA       LEU  22   9.642  21.220  -0.307
  183    HB2  LEU  22           HB2      LEU  22   8.024  23.725   0.205
  184    HB3  LEU  22           HB3      LEU  22   8.461  22.707   1.543
  185    HG   LEU  22           HG       LEU  22   9.943  24.569   1.363
  186   HD11  LEU  22          HD11      LEU  22  11.428  22.002   0.693
  187   HD12  LEU  22          HD12      LEU  22  12.053  23.392   1.588
  188   HD13  LEU  22          HD13      LEU  22  10.762  22.409   2.289
  189   HD21  LEU  22          HD21      LEU  22  11.535  24.861  -0.428
  190   HD22  LEU  22          HD22      LEU  22  10.876  23.476  -1.317
  191   HD23  LEU  22          HD23      LEU  22   9.887  24.936  -1.077
  192    H    PHE  23           H        PHE  23   9.002  19.653   1.000
  193    HA   PHE  23           HA       PHE  23   6.086  19.057   1.342
  194    HB2  PHE  23           HB2      PHE  23   8.453  17.156   1.349
  195    HB3  PHE  23           HB3      PHE  23   6.758  16.709   1.516
  196    HD1  PHE  23           HD1      PHE  23   5.593  18.493  -0.699
  197    HD2  PHE  23           HD2      PHE  23   9.062  15.939  -0.608
  198    HE1  PHE  23           HE1      PHE  23   5.451  18.222  -3.154
  199    HE2  PHE  23           HE2      PHE  23   8.907  15.663  -3.064
  200    HZ   PHE  23           HZ       PHE  23   7.112  16.802  -4.346
  201    H    MET  24           H        MET  24   5.472  19.768   3.269
  202    HA   MET  24           HA       MET  24   7.198  19.483   5.692
  203    HB2  MET  24           HB2      MET  24   5.903  22.147   5.039
  204    HB3  MET  24           HB3      MET  24   7.205  21.802   6.178
  205    HG2  MET  24           HG2      MET  24   8.658  21.268   4.133
  206    HG3  MET  24           HG3      MET  24   7.342  21.920   3.161
  207    HE1  MET  24           HE1      MET  24   7.322  25.705   4.092
  208    HE2  MET  24           HE2      MET  24   6.563  24.408   3.152
  209    HE3  MET  24           HE3      MET  24   6.354  24.471   4.919
  210    H    LYS  25           H        LYS  25   5.755  20.649   7.625
  211    HA   LYS  25           HA       LYS  25   3.142  19.294   7.605
  212    HB2  LYS  25           HB2      LYS  25   4.489  21.036   9.710
  213    HB3  LYS  25           HB3      LYS  25   3.008  20.094   9.929
  214    HG2  LYS  25           HG2      LYS  25   4.283  18.004   9.383
  215    HG3  LYS  25           HG3      LYS  25   5.778  18.963   9.368
  216    HD2  LYS  25           HD2      LYS  25   5.317  19.669  11.716
  217    HD3  LYS  25           HD3      LYS  25   3.843  18.670  11.709
  218    HE2  LYS  25           HE2      LYS  25   5.215  16.644  11.265
  219    HE3  LYS  25           HE3      LYS  25   6.683  17.629  11.249
  220    HZ1  LYS  25           HZ1      LYS  25   6.241  18.194  13.591
  221    HZ2  LYS  25           HZ2      LYS  25   4.894  17.265  13.599
  222    HZ3  LYS  25           HZ3      LYS  25   6.362  16.576  13.404
  223    H    GLY  26           H        GLY  26   3.562  21.626   5.719
  224    HA2  GLY  26           HA2      GLY  26   1.030  22.979   6.047
  225    HA3  GLY  26           HA3      GLY  26   2.346  24.011   6.560
  226    H    THR  27           H        THR  27   1.010  25.083   4.688
  227    HA   THR  27           HA       THR  27   2.051  24.490   1.959
  228    HB   THR  27           HB       THR  27   0.240  25.970   1.206
  229    HG1  THR  27           HG1      THR  27  -1.246  26.641   2.908
  230   HG21  THR  27          HG21      THR  27  -0.254  23.543   1.609
  231   HG22  THR  27          HG22      THR  27  -0.880  23.972   3.220
  232   HG23  THR  27          HG23      THR  27  -1.666  24.602   1.760
  233    H    LYS  28           H        LYS  28   2.192  26.735   0.642
  234    HA   LYS  28           HA       LYS  28   4.282  28.303   1.948
  235    HB2  LYS  28           HB2      LYS  28   4.483  29.484  -0.097
  236    HB3  LYS  28           HB3      LYS  28   4.362  27.763  -0.449
  237    HG2  LYS  28           HG2      LYS  28   1.937  28.095  -1.047
  238    HG3  LYS  28           HG3      LYS  28   2.131  29.830  -0.775
  239    HD2  LYS  28           HD2      LYS  28   3.647  28.168  -2.836
  240    HD3  LYS  28           HD3      LYS  28   2.257  29.212  -3.166
  241    HE2  LYS  28           HE2      LYS  28   3.561  31.187  -2.361
  242    HE3  LYS  28           HE3      LYS  28   4.966  30.138  -2.093
  243    HZ1  LYS  28           HZ1      LYS  28   3.673  30.606  -4.728
  244    HZ2  LYS  28           HZ2      LYS  28   5.082  31.268  -4.236
  245    HZ3  LYS  28           HZ3      LYS  28   4.987  29.645  -4.476
  246    H    ASP  29           H        ASP  29   0.852  28.584   1.773
  247    HA   ASP  29           HA       ASP  29   0.722  31.419   2.563
  248    HB2  ASP  29           HB2      ASP  29  -1.036  30.337   1.189
  249    HB3  ASP  29           HB3      ASP  29  -1.384  29.225   2.515
  250    H    PHE  30           H        PHE  30   0.688  28.216   4.139
  251    HA   PHE  30           HA       PHE  30   1.012  29.542   6.792
  252    HB2  PHE  30           HB2      PHE  30  -1.324  28.797   6.492
  253    HB3  PHE  30           HB3      PHE  30  -0.771  27.155   6.203
  254    HD1  PHE  30           HD1      PHE  30  -0.556  29.937   8.738
  255    HD2  PHE  30           HD2      PHE  30  -0.614  25.674   8.064
  256    HE1  PHE  30           HE1      PHE  30  -0.606  29.544  11.190
  257    HE2  PHE  30           HE2      PHE  30  -0.663  25.289  10.515
  258    HZ   PHE  30           HZ       PHE  30  -0.656  27.220  12.082
  259    HA   PRO  31           HA       PRO  31   4.376  26.423   6.078
  260    HB2  PRO  31           HB2      PRO  31   6.561  28.024   6.313
  261    HB3  PRO  31           HB3      PRO  31   5.584  27.988   4.813
  262    HG2  PRO  31           HG2      PRO  31   5.393  29.971   7.104
  263    HG3  PRO  31           HG3      PRO  31   5.541  30.322   5.352
  264    HD2  PRO  31           HD2      PRO  31   3.123  30.274   6.636
  265    HD3  PRO  31           HD3      PRO  31   3.318  29.731   4.940
  266    H    GLN  32           H        GLN  32   6.252  25.922   7.623
  267    HA   GLN  32           HA       GLN  32   5.513  26.537  10.445
  268    HB2  GLN  32           HB2      GLN  32   6.668  24.535  11.092
  269    HB3  GLN  32           HB3      GLN  32   5.451  24.161   9.878
  270    HG2  GLN  32           HG2      GLN  32   7.276  24.073   8.128
  271    HG3  GLN  32           HG3      GLN  32   8.455  24.352   9.420
  272   HE21  GLN  32          HE22      GLN  32   8.598  22.648  11.180
  273   HE22  GLN  32          HE21      GLN  32   8.160  21.008  10.729
  274    H    CYS  33           H        CYS  33   7.147  27.082  11.926
  275    HA   CYS  33           HA       CYS  33   9.012  29.019  10.905
  276    HB2  CYS  33           HB2      CYS  33   8.496  27.939  13.720
  277    HB3  CYS  33           HB3      CYS  33   9.506  29.343  13.354
  278    HG   CYS  33           HG       CYS  33   7.669  30.719  12.077
  279    H    GLY  34           H        GLY  34  11.263  29.215  11.718
  280    HA2  GLY  34           HA2      GLY  34  13.414  28.437  12.190
  281    HA3  GLY  34           HA3      GLY  34  12.786  26.787  12.333
  282    H    PHE  35           H        PHE  35  13.794  25.490  10.918
  283    HA   PHE  35           HA       PHE  35  15.386  26.387   8.777
  284    HB2  PHE  35           HB2      PHE  35  14.197  23.627   9.262
  285    HB3  PHE  35           HB3      PHE  35  15.527  23.992   8.163
  286    HD1  PHE  35           HD2      PHE  35  17.661  25.069   9.112
  287    HD2  PHE  35           HD1      PHE  35  14.678  23.126  11.551
  288    HE1  PHE  35           HE2      PHE  35  19.321  24.801  10.936
  289    HE2  PHE  35           HE1      PHE  35  16.341  22.855  13.370
  290    HZ   PHE  35           HZ       PHE  35  18.669  23.694  13.068
  291    H    SER  36           H        SER  36  12.041  25.017   8.582
  292    HA   SER  36           HA       SER  36  11.756  25.096   5.755
  293    HB2  SER  36           HB2      SER  36   9.786  25.502   8.026
  294    HB3  SER  36           HB3      SER  36   9.279  25.353   6.340
  295    HG   SER  36           HG       SER  36   9.770  23.264   6.382
  296    H    GLN  37           H        GLN  37  10.770  27.657   8.097
  297    HA   GLN  37           HA       GLN  37  10.020  29.659   6.263
  298    HB2  GLN  37           HB2      GLN  37   9.587  29.640   8.689
  299    HB3  GLN  37           HB3      GLN  37  11.304  29.904   9.023
  300    HG2  GLN  37           HG2      GLN  37  11.177  32.117   7.903
  301    HG3  GLN  37           HG3      GLN  37   9.475  31.832   7.523
  302   HE21  GLN  37          HE22      GLN  37   9.675  34.097   8.817
  303   HE22  GLN  37          HE21      GLN  37   9.364  33.933  10.539
  304    H    THR  38           H        THR  38  13.236  29.016   7.709
  305    HA   THR  38           HA       THR  38  14.713  31.031   6.349
  306    HB   THR  38           HB       THR  38  15.710  28.308   7.287
  307    HG1  THR  38           HG1      THR  38  14.783  29.392   8.991
  308   HG21  THR  38          HG21      THR  38  17.152  30.950   6.792
  309   HG22  THR  38          HG22      THR  38  17.867  29.512   7.563
  310   HG23  THR  38          HG23      THR  38  17.365  29.444   5.874
  311    H    VAL  39           H        VAL  39  14.142  27.618   5.396
  312    HA   VAL  39           HA       VAL  39  15.583  27.780   2.957
  313    HB   VAL  39           HB       VAL  39  13.490  25.859   3.946
  314   HG11  VAL  39          HG11      VAL  39  14.131  24.389   1.986
  315   HG12  VAL  39          HG12      VAL  39  13.106  25.768   1.562
  316   HG13  VAL  39          HG13      VAL  39  14.847  25.823   1.221
  317   HG21  VAL  39          HG21      VAL  39  16.456  25.584   3.266
  318   HG22  VAL  39          HG22      VAL  39  15.820  25.823   4.898
  319   HG23  VAL  39          HG23      VAL  39  15.420  24.348   4.012
  320    H    VAL  40           H        VAL  40  11.983  28.344   3.473
  321    HA   VAL  40           HA       VAL  40  11.661  28.871   0.662
  322    HB   VAL  40           HB       VAL  40   9.533  29.822   1.157
  323   HG11  VAL  40          HG11      VAL  40   9.792  27.388   0.947
  324   HG12  VAL  40          HG12      VAL  40  10.004  27.248   2.706
  325   HG13  VAL  40          HG13      VAL  40   8.460  27.807   2.037
  326   HG21  VAL  40          HG21      VAL  40   8.545  29.903   3.386
  327   HG22  VAL  40          HG22      VAL  40  10.095  29.435   4.094
  328   HG23  VAL  40          HG23      VAL  40   9.922  31.005   3.271
  329    H    GLN  41           H        GLN  41  12.533  31.057   3.387
  330    HA   GLN  41           HA       GLN  41  12.547  33.473   1.803
  331    HB2  GLN  41           HB2      GLN  41  12.523  33.367   4.266
  332    HB3  GLN  41           HB3      GLN  41  14.155  32.710   4.291
  333    HG2  GLN  41           HG2      GLN  41  13.704  35.333   2.853
  334    HG3  GLN  41           HG3      GLN  41  13.566  35.325   4.604
  335   HE21  GLN  41          HE22      GLN  41  15.908  34.527   1.956
  336   HE22  GLN  41          HE21      GLN  41  17.312  34.831   2.988
  337    H    ILE  42           H        ILE  42  15.026  30.966   2.381
  338    HA   ILE  42           HA       ILE  42  17.154  32.136   0.875
  339    HB   ILE  42           HB       ILE  42  16.403  29.397   1.836
  340   HG12  ILE  42          HG12      ILE  42  18.940  31.051   2.085
  341   HG13  ILE  42          HG13      ILE  42  17.595  31.093   3.219
  342   HG21  ILE  42          HG21      ILE  42  18.604  29.738  -0.201
  343   HG22  ILE  42          HG22      ILE  42  18.317  28.281   0.790
  344   HG23  ILE  42          HG23      ILE  42  17.123  28.772  -0.384
  345   HD11  ILE  42          HD11      ILE  42  19.272  29.673   4.163
  346   HD12  ILE  42          HD12      ILE  42  17.938  28.621   3.639
  347   HD13  ILE  42          HD13      ILE  42  19.437  28.730   2.679
  348    H    LEU  43           H        LEU  43  14.539  29.964  -0.321
  349    HA   LEU  43           HA       LEU  43  15.485  29.944  -3.035
  350    HB2  LEU  43           HB2      LEU  43  12.728  29.551  -1.773
  351    HB3  LEU  43           HB3      LEU  43  13.028  29.297  -3.489
  352    HG   LEU  43           HG       LEU  43  14.590  27.811  -1.327
  353   HD11  LEU  43          HD11      LEU  43  12.050  26.983  -2.793
  354   HD12  LEU  43          HD12      LEU  43  13.035  25.938  -1.751
  355   HD13  LEU  43          HD13      LEU  43  12.199  27.332  -1.056
  356   HD21  LEU  43          HD21      LEU  43  14.174  27.329  -4.312
  357   HD22  LEU  43          HD22      LEU  43  15.684  27.826  -3.528
  358   HD23  LEU  43          HD23      LEU  43  15.017  26.224  -3.201
  359    H    LYS  44           H        LYS  44  12.962  31.951  -1.495
  360    HA   LYS  44           HA       LYS  44  12.306  33.644  -3.638
  361    HB2  LYS  44           HB2      LYS  44  12.528  34.155  -0.646
  362    HB3  LYS  44           HB3      LYS  44  11.936  35.373  -1.783
  363    HG2  LYS  44           HG2      LYS  44  10.095  33.965  -2.477
  364    HG3  LYS  44           HG3      LYS  44  10.730  32.575  -1.604
  365    HD2  LYS  44           HD2      LYS  44   8.864  33.522  -0.379
  366    HD3  LYS  44           HD3      LYS  44  10.351  33.714   0.557
  367    HE2  LYS  44           HE2      LYS  44  10.526  36.078  -0.161
  368    HE3  LYS  44           HE3      LYS  44   9.115  35.879  -1.211
  369    HZ1  LYS  44           HZ1      LYS  44   8.507  36.930   0.879
  370    HZ2  LYS  44           HZ2      LYS  44   7.766  35.479   0.777
  371    HZ3  LYS  44           HZ3      LYS  44   9.067  35.673   1.758
  372    H    SER  45           H        SER  45  14.825  34.256  -1.165
  373    HA   SER  45           HA       SER  45  15.924  36.576  -2.395
  374    HB2  SER  45           HB2      SER  45  15.982  35.906   0.031
  375    HB3  SER  45           HB3      SER  45  17.250  34.734  -0.370
  376    HG   SER  45           HG       SER  45  18.537  36.521  -1.071
  377    H    LEU  46           H        LEU  46  16.905  33.135  -2.768
  378    HA   LEU  46           HA       LEU  46  19.334  33.522  -4.192
  379    HB2  LEU  46           HB2      LEU  46  18.589  31.360  -3.323
  380    HB3  LEU  46           HB3      LEU  46  17.138  31.416  -4.312
  381    HG   LEU  46           HG       LEU  46  18.482  31.173  -6.365
  382   HD11  LEU  46          HD11      LEU  46  20.840  30.517  -6.226
  383   HD12  LEU  46          HD12      LEU  46  20.647  32.138  -5.556
  384   HD13  LEU  46          HD13      LEU  46  20.843  30.743  -4.469
  385   HD21  LEU  46          HD21      LEU  46  18.978  29.041  -4.244
  386   HD22  LEU  46          HD22      LEU  46  17.502  29.224  -5.217
  387   HD23  LEU  46          HD23      LEU  46  19.029  28.797  -6.003
  388    H    ASN  47           H        ASN  47  15.995  33.756  -5.104
  389    HA   ASN  47           HA       ASN  47  15.195  35.487  -6.445
  390    HB2  ASN  47           HB2      ASN  47  17.433  36.254  -7.262
  391    HB3  ASN  47           HB3      ASN  47  17.374  34.985  -8.496
  392   HD21  ASN  47          HD22      ASN  47  17.601  36.939  -9.943
  393   HD22  ASN  47          HD21      ASN  47  16.126  37.759 -10.413
  394    H    ALA  48           H        ALA  48  14.029  33.344  -5.942
  395    HA   ALA  48           HA       ALA  48  13.227  32.122  -8.552
  396    HB1  ALA  48           HB1      ALA  48  14.321  30.493  -6.216
  397    HB2  ALA  48           HB2      ALA  48  13.691  29.835  -7.736
  398    HB3  ALA  48           HB3      ALA  48  15.166  30.815  -7.746
  399    HA   PRO  49           HA       PRO  49   9.236  31.497  -6.544
  400    HB2  PRO  49           HB2      PRO  49   7.984  29.969  -8.386
  401    HB3  PRO  49           HB3      PRO  49   8.452  31.657  -8.763
  402    HG2  PRO  49           HG2      PRO  49   9.969  29.110  -9.448
  403    HG3  PRO  49           HG3      PRO  49   9.521  30.457 -10.545
  404    HD2  PRO  49           HD2      PRO  49  11.973  30.284  -9.328
  405    HD3  PRO  49           HD3      PRO  49  11.186  31.853  -9.670
  406    H    PHE  50           H        PHE  50   7.862  29.612  -5.873
  407    HA   PHE  50           HA       PHE  50   8.977  26.959  -5.731
  408    HB2  PHE  50           HB2      PHE  50   9.456  26.834  -3.383
  409    HB3  PHE  50           HB3      PHE  50  10.369  28.192  -4.009
  410    HD1  PHE  50           HD2      PHE  50   9.427  30.572  -3.697
  411    HD2  PHE  50           HD1      PHE  50   7.934  27.135  -1.563
  412    HE1  PHE  50           HE2      PHE  50   8.321  32.063  -2.073
  413    HE2  PHE  50           HE1      PHE  50   6.859  28.634   0.094
  414    HZ   PHE  50           HZ       PHE  50   7.039  31.106  -0.158
  415    H    GLU  51           H        GLU  51   7.609  25.507  -4.424
  416    HA   GLU  51           HA       GLU  51   4.883  26.495  -3.783
  417    HB2  GLU  51           HB2      GLU  51   4.851  25.448  -6.019
  418    HB3  GLU  51           HB3      GLU  51   5.553  23.976  -5.361
  419    HG2  GLU  51           HG2      GLU  51   3.120  23.821  -5.795
  420    HG3  GLU  51           HG3      GLU  51   3.535  23.491  -4.120
  421    H    SER  52           H        SER  52   3.763  24.848  -2.265
  422    HA   SER  52           HA       SER  52   5.635  23.131  -0.756
  423    HB2  SER  52           HB2      SER  52   4.224  25.473   0.523
  424    HB3  SER  52           HB3      SER  52   5.107  24.220   1.404
  425    HG   SER  52           HG       SER  52   6.561  25.360  -0.627
  426    H    VAL  53           H        VAL  53   4.627  21.298  -0.148
  427    HA   VAL  53           HA       VAL  53   1.616  21.229  -0.115
  428    HB   VAL  53           HB       VAL  53   3.517  18.992  -0.892
  429   HG11  VAL  53          HG11      VAL  53   0.481  19.168  -1.028
  430   HG12  VAL  53          HG12      VAL  53   1.478  17.859  -1.709
  431   HG13  VAL  53          HG13      VAL  53   1.437  18.112   0.038
  432   HG21  VAL  53          HG21      VAL  53   3.563  20.702  -2.655
  433   HG22  VAL  53          HG22      VAL  53   2.668  19.287  -3.204
  434   HG23  VAL  53          HG23      VAL  53   1.787  20.739  -2.690
  435    H    ASN  54           H        ASN  54   0.639  20.452   1.673
  436    HA   ASN  54           HA       ASN  54   2.221  19.954   4.031
  437    HB2  ASN  54           HB2      ASN  54   0.048  21.150   4.042
  438    HB3  ASN  54           HB3      ASN  54  -0.772  19.645   3.623
  439   HD21  ASN  54          HD22      ASN  54  -1.855  20.511   5.786
  440   HD22  ASN  54          HD21      ASN  54  -1.164  19.839   7.250
  441    H    ILE  55           H        ILE  55   3.031  18.064   4.719
  442    HA   ILE  55           HA       ILE  55   2.430  15.478   3.492
  443    HB   ILE  55           HB       ILE  55   3.982  14.541   5.094
  444   HG12  ILE  55          HG12      ILE  55   3.740  17.185   6.563
  445   HG13  ILE  55          HG13      ILE  55   3.409  15.550   7.121
  446   HG21  ILE  55          HG21      ILE  55   4.880  15.705   3.112
  447   HG22  ILE  55          HG22      ILE  55   5.052  17.199   4.049
  448   HG23  ILE  55          HG23      ILE  55   5.999  15.763   4.466
  449   HD11  ILE  55          HD11      ILE  55   6.132  16.751   6.640
  450   HD12  ILE  55          HD12      ILE  55   5.372  16.304   8.181
  451   HD13  ILE  55          HD13      ILE  55   5.828  15.031   7.034
  452    H    LEU  56           H        LEU  56   1.119  17.162   6.281
  453    HA   LEU  56           HA       LEU  56   0.160  14.654   7.513
  454    HB2  LEU  56           HB2      LEU  56   0.166  17.581   8.396
  455    HB3  LEU  56           HB3      LEU  56  -0.589  16.289   9.326
  456    HG   LEU  56           HG       LEU  56   2.344  16.690   8.739
  457   HD11  LEU  56          HD11      LEU  56   1.379  18.002  10.570
  458   HD12  LEU  56          HD12      LEU  56   0.743  16.522  11.322
  459   HD13  LEU  56          HD13      LEU  56   2.496  16.774  11.200
  460   HD21  LEU  56          HD21      LEU  56   1.048  14.249  10.032
  461   HD22  LEU  56          HD22      LEU  56   2.042  14.271   8.551
  462   HD23  LEU  56          HD23      LEU  56   2.780  14.638  10.106
  463    H    GLU  57           H        GLU  57  -2.009  14.734   8.492
  464    HA   GLU  57           HA       GLU  57  -4.214  14.456   8.290
  465    HB2  GLU  57           HB2      GLU  57  -4.324  16.842   7.518
  466    HB3  GLU  57           HB3      GLU  57  -4.370  16.254   5.852
  467    HG2  GLU  57           HG2      GLU  57  -6.406  14.911   6.405
  468    HG3  GLU  57           HG3      GLU  57  -6.340  15.514   8.063
  469    H    ASN  58           H        ASN  58  -4.355  14.616   4.792
  470    HA   ASN  58           HA       ASN  58  -5.403  12.058   4.600
  471    HB2  ASN  58           HB2      ASN  58  -5.718  13.853   2.959
  472    HB3  ASN  58           HB3      ASN  58  -4.027  13.736   2.460
  473   HD21  ASN  58          HD22      ASN  58  -7.228  12.246   2.203
  474   HD22  ASN  58          HD21      ASN  58  -6.753  11.053   1.006
  475    H    GLU  59           H        GLU  59  -4.636  10.067   4.699
  476    HA   GLU  59           HA       GLU  59  -1.939   9.431   5.102
  477    HB2  GLU  59           HB2      GLU  59  -4.144   7.511   4.239
  478    HB3  GLU  59           HB3      GLU  59  -2.634   7.119   5.052
  479    HG2  GLU  59           HG2      GLU  59  -3.929   7.124   6.892
  480    HG3  GLU  59           HG3      GLU  59  -3.594   8.848   6.891
  481    H    LEU  60           H        LEU  60  -3.817   9.112   2.042
  482    HA   LEU  60           HA       LEU  60  -1.754   7.669   0.664
  483    HB2  LEU  60           HB2      LEU  60  -4.222   9.212  -0.235
  484    HB3  LEU  60           HB3      LEU  60  -3.098   8.552  -1.399
  485    HG   LEU  60           HG       LEU  60  -5.014   7.115  -1.118
  486   HD11  LEU  60          HD11      LEU  60  -2.851   6.111  -1.758
  487   HD12  LEU  60          HD12      LEU  60  -2.498   5.756  -0.047
  488   HD13  LEU  60          HD13      LEU  60  -3.869   4.979  -0.846
  489   HD21  LEU  60          HD21      LEU  60  -4.144   6.539   1.738
  490   HD22  LEU  60          HD22      LEU  60  -5.518   7.574   1.282
  491   HD23  LEU  60          HD23      LEU  60  -5.520   5.851   0.864
  492    H    LEU  61           H        LEU  61  -2.388  11.145   1.023
  493    HA   LEU  61           HA       LEU  61  -0.162  11.930  -0.680
  494    HB2  LEU  61           HB2      LEU  61  -2.131  13.374  -0.143
  495    HB3  LEU  61           HB3      LEU  61  -1.619  13.422   1.544
  496    HG   LEU  61           HG       LEU  61   0.471  14.596   0.876
  497   HD11  LEU  61          HD11      LEU  61   0.691  15.547  -1.394
  498   HD12  LEU  61          HD12      LEU  61   0.696  13.787  -1.477
  499   HD13  LEU  61          HD13      LEU  61  -0.769  14.691  -1.917
  500   HD21  LEU  61          HD21      LEU  61  -1.528  15.856   1.577
  501   HD22  LEU  61          HD22      LEU  61  -0.632  16.749   0.337
  502   HD23  LEU  61          HD23      LEU  61  -2.117  15.885  -0.102
  503    H    ARG  62           H        ARG  62  -0.533  11.473   2.866
  504    HA   ARG  62           HA       ARG  62   2.034  12.181   3.719
  505    HB2  ARG  62           HB2      ARG  62  -0.041  11.586   5.072
  506    HB3  ARG  62           HB3      ARG  62   0.373   9.886   4.834
  507    HG2  ARG  62           HG2      ARG  62   2.639  10.458   5.930
  508    HG3  ARG  62           HG3      ARG  62   1.908  12.000   6.379
  509    HD2  ARG  62           HD2      ARG  62   1.038   9.208   7.194
  510    HD3  ARG  62           HD3      ARG  62   1.727  10.460   8.234
  511    HE   ARG  62           HE       ARG  62  -0.671  11.493   7.097
  512   HH11  ARG  62          HH11      ARG  62   0.301   9.073   9.478
  513   HH12  ARG  62          HH12      ARG  62  -1.240   9.094  10.282
  514   HH21  ARG  62          HH21      ARG  62  -2.700  11.394   8.108
  515   HH22  ARG  62          HH22      ARG  62  -2.881  10.444   9.557
  516    H    GLN  63           H        GLN  63   0.935   8.942   2.612
  517    HA   GLN  63           HA       GLN  63   3.615   7.739   2.711
  518    HB2  GLN  63           HB2      GLN  63   0.972   6.886   1.443
  519    HB3  GLN  63           HB3      GLN  63   2.427   5.886   1.481
  520    HG2  GLN  63           HG2      GLN  63   2.399   5.847   3.935
  521    HG3  GLN  63           HG3      GLN  63   1.003   6.920   3.977
  522   HE21  GLN  63          HE22      GLN  63   0.384   4.860   5.380
  523   HE22  GLN  63          HE21      GLN  63  -0.513   3.642   4.487
  524    H    GLY  64           H        GLY  64   1.510   9.096   0.127
  525    HA2  GLY  64           HA2      GLY  64   3.060   8.238  -2.055
  526    HA3  GLY  64           HA3      GLY  64   1.874   9.563  -2.069
  527    H    LEU  65           H        LEU  65   3.297  11.354  -0.258
  528    HA   LEU  65           HA       LEU  65   5.264  12.534  -2.019
  529    HB2  LEU  65           HB2      LEU  65   4.620  12.888   0.949
  530    HB3  LEU  65           HB3      LEU  65   5.830  13.859   0.114
  531    HG   LEU  65           HG       LEU  65   2.889  13.744  -0.681
  532   HD11  LEU  65          HD11      LEU  65   4.418  15.914   0.801
  533   HD12  LEU  65          HD12      LEU  65   2.711  15.977   0.316
  534   HD13  LEU  65          HD13      LEU  65   3.235  14.797   1.528
  535   HD21  LEU  65          HD21      LEU  65   3.517  15.838  -1.966
  536   HD22  LEU  65          HD22      LEU  65   5.216  15.425  -1.644
  537   HD23  LEU  65          HD23      LEU  65   4.201  14.338  -2.604
  538    H    LYS  66           H        LYS  66   5.649  10.462   0.876
  539    HA   LYS  66           HA       LYS  66   8.529  10.486   0.839
  540    HB2  LYS  66           HB2      LYS  66   6.985   9.857   2.753
  541    HB3  LYS  66           HB3      LYS  66   6.674   8.318   1.929
  542    HG2  LYS  66           HG2      LYS  66   9.186   7.897   1.972
  543    HG3  LYS  66           HG3      LYS  66   9.368   9.362   2.945
  544    HD2  LYS  66           HD2      LYS  66   7.783   6.861   3.690
  545    HD3  LYS  66           HD3      LYS  66   9.376   7.315   4.318
  546    HE2  LYS  66           HE2      LYS  66   8.374   9.391   5.315
  547    HE3  LYS  66           HE3      LYS  66   6.779   8.877   4.738
  548    HZ1  LYS  66           HZ1      LYS  66   8.453   7.355   6.673
  549    HZ2  LYS  66           HZ2      LYS  66   7.129   8.235   7.052
  550    HZ3  LYS  66           HZ3      LYS  66   6.977   6.892   6.132
  551    H    GLU  67           H        GLU  67   6.163   8.115  -0.503
  552    HA   GLU  67           HA       GLU  67   8.173   6.416  -1.624
  553    HB2  GLU  67           HB2      GLU  67   5.883   5.749  -1.005
  554    HB3  GLU  67           HB3      GLU  67   5.231   6.654  -2.376
  555    HG2  GLU  67           HG2      GLU  67   6.299   5.180  -3.956
  556    HG3  GLU  67           HG3      GLU  67   7.336   4.478  -2.712
  557    H    TYR  68           H        TYR  68   6.438   9.222  -3.058
  558    HA   TYR  68           HA       TYR  68   7.532   8.947  -5.704
  559    HB2  TYR  68           HB2      TYR  68   5.546  10.314  -5.069
  560    HB3  TYR  68           HB3      TYR  68   6.589  11.414  -4.183
  561    HD1  TYR  68           HD2      TYR  68   5.915   9.994  -7.578
  562    HD2  TYR  68           HD1      TYR  68   7.585  13.271  -5.326
  563    HE1  TYR  68           HE2      TYR  68   6.151  11.306  -9.678
  564    HE2  TYR  68           HE1      TYR  68   7.826  14.586  -7.418
  565    HH   TYR  68           HH       TYR  68   6.866  13.261 -10.620
  566    H    SER  69           H        SER  69   8.711  10.620  -2.775
  567    HA   SER  69           HA       SER  69  10.963  11.834  -4.203
  568    HB2  SER  69           HB2      SER  69  10.486  11.791  -1.208
  569    HB3  SER  69           HB3      SER  69  11.483  12.906  -2.159
  570    HG   SER  69           HG       SER  69   8.665  12.703  -1.999
  571    H    SER  70           H        SER  70  10.579   8.945  -2.270
  572    HA   SER  70           HA       SER  70  11.895   7.144  -1.893
  573    HB2  SER  70           HB2      SER  70  14.095   8.504  -3.494
  574    HB3  SER  70           HB3      SER  70  14.093   6.842  -2.910
  575    HG   SER  70           HG       SER  70  13.394   7.033  -5.103
  576    H    TRP  71           H        TRP  71  13.616  10.206  -1.359
  577    HA   TRP  71           HA       TRP  71  15.208   9.278   0.862
  578    HB2  TRP  71           HB2      TRP  71  15.870  11.166  -0.446
  579    HB3  TRP  71           HB3      TRP  71  14.382  12.019  -0.102
  580    HD1  TRP  71           HD1      TRP  71  14.060  12.849   2.490
  581    HE1  TRP  71           HE1      TRP  71  15.742  13.838   4.119
  582    HE3  TRP  71           HE3      TRP  71  18.366  10.969   0.433
  583    HZ2  TRP  71           HZ2      TRP  71  18.579  13.914   4.445
  584    HZ3  TRP  71           HZ3      TRP  71  20.558  11.534   1.438
  585    HH2  TRP  71           HH2      TRP  71  20.693  13.008   3.434
  586    HA   PRO  72           HA       PRO  72  11.747   9.319   3.745
  587    HB2  PRO  72           HB2      PRO  72  12.952   8.354   5.967
  588    HB3  PRO  72           HB3      PRO  72  12.767   7.349   4.495
  589    HG2  PRO  72           HG2      PRO  72  15.204   8.950   5.360
  590    HG3  PRO  72           HG3      PRO  72  15.138   7.234   4.847
  591    HD2  PRO  72           HD2      PRO  72  15.781   9.266   3.119
  592    HD3  PRO  72           HD3      PRO  72  14.879   7.812   2.589
  593    H    THR  73           H        THR  73  11.007  10.385   5.600
  594    HA   THR  73           HA       THR  73  10.686  11.891   7.206
  595    HB   THR  73           HB       THR  73  12.380  12.861   8.542
  596    HG1  THR  73           HG1      THR  73  13.955  12.267   6.326
  597   HG21  THR  73          HG21      THR  73  13.665  10.953   9.243
  598   HG22  THR  73          HG22      THR  73  12.046  10.394   8.774
  599   HG23  THR  73          HG23      THR  73  13.430  10.136   7.684
  600    H    PHE  74           H        PHE  74  10.708  14.149   7.822
  601    HA   PHE  74           HA       PHE  74  10.952  16.065   5.589
  602    HB2  PHE  74           HB2      PHE  74   8.398  15.443   7.131
  603    HB3  PHE  74           HB3      PHE  74   8.569  16.740   5.967
  604    HD1  PHE  74           HD1      PHE  74   9.169  16.130   3.529
  605    HD2  PHE  74           HD2      PHE  74   7.701  13.276   6.403
  606    HE1  PHE  74           HE1      PHE  74   8.478  14.618   1.676
  607    HE2  PHE  74           HE2      PHE  74   6.978  11.789   4.555
  608    HZ   PHE  74           HZ       PHE  74   7.368  12.459   2.192
  609    HA   PRO  75           HA       PRO  75   9.699  18.584   5.698
  610    HB2  PRO  75           HB2      PRO  75  11.840  20.612   6.267
  611    HB3  PRO  75           HB3      PRO  75  10.149  20.873   5.750
  612    HG2  PRO  75           HG2      PRO  75  10.850  21.263   8.334
  613    HG3  PRO  75           HG3      PRO  75   9.330  20.387   7.943
  614    HD2  PRO  75           HD2      PRO  75  12.037  19.219   8.672
  615    HD3  PRO  75           HD3      PRO  75  10.425  18.810   9.323
  616    H    GLN  76           H        GLN  76  10.414  18.724   3.534
  617    HA   GLN  76           HA       GLN  76  13.231  18.052   2.886
  618    HB2  GLN  76           HB2      GLN  76  11.843  15.948   3.340
  619    HB3  GLN  76           HB3      GLN  76  10.850  16.403   1.942
  620    HG2  GLN  76           HG2      GLN  76  13.015  16.293   0.567
  621    HG3  GLN  76           HG3      GLN  76  13.785  15.603   2.002
  622   HE21  GLN  76          HE22      GLN  76  11.625  13.835   2.920
  623   HE22  GLN  76          HE21      GLN  76  11.537  12.606   1.670
  624    H    LEU  77           H        LEU  77  13.809  18.555   0.742
  625    HA   LEU  77           HA       LEU  77  11.862  20.203  -0.806
  626    HB2  LEU  77           HB2      LEU  77  13.774  21.363   0.334
  627    HB3  LEU  77           HB3      LEU  77  14.907  20.452  -0.640
  628    HG   LEU  77           HG       LEU  77  12.742  22.114  -1.996
  629   HD11  LEU  77          HD11      LEU  77  14.278  24.059  -1.968
  630   HD12  LEU  77          HD12      LEU  77  13.759  23.627  -0.329
  631   HD13  LEU  77          HD13      LEU  77  15.379  23.164  -0.907
  632   HD21  LEU  77          HD21      LEU  77  14.480  22.454  -3.703
  633   HD22  LEU  77          HD22      LEU  77  15.655  21.569  -2.734
  634   HD23  LEU  77          HD23      LEU  77  14.260  20.724  -3.440
  635    H    TYR  78           H        TYR  78  11.581  19.809  -2.899
  636    HA   TYR  78           HA       TYR  78  13.173  17.751  -4.350
  637    HB2  TYR  78           HB2      TYR  78  10.973  16.914  -3.386
  638    HB3  TYR  78           HB3      TYR  78  10.140  18.099  -4.369
  639    HD1  TYR  78           HD1      TYR  78  10.447  17.921  -6.974
  640    HD2  TYR  78           HD2      TYR  78  11.422  14.764  -4.202
  641    HE1  TYR  78           HE1      TYR  78  10.311  16.264  -8.811
  642    HE2  TYR  78           HE2      TYR  78  11.256  13.098  -6.042
  643    HH   TYR  78           HH       TYR  78  10.789  12.754  -8.258
  644    H    ILE  79           H        ILE  79  13.413  18.179  -6.627
  645    HA   ILE  79           HA       ILE  79  12.246  20.720  -7.618
  646    HB   ILE  79           HB       ILE  79  15.176  20.190  -8.137
  647   HG12  ILE  79          HG12      ILE  79  14.077  21.942  -5.902
  648   HG13  ILE  79          HG13      ILE  79  15.004  20.446  -5.698
  649   HG21  ILE  79          HG21      ILE  79  13.407  22.687  -8.237
  650   HG22  ILE  79          HG22      ILE  79  15.086  22.571  -8.807
  651   HG23  ILE  79          HG23      ILE  79  13.807  21.679  -9.632
  652   HD11  ILE  79          HD11      ILE  79  16.937  21.503  -6.871
  653   HD12  ILE  79          HD12      ILE  79  16.059  23.052  -6.839
  654   HD13  ILE  79          HD13      ILE  79  16.506  22.255  -5.325
  655    H    ASP  80           H        ASP  80  11.251  20.363  -9.397
  656    HA   ASP  80           HA       ASP  80  10.624  19.869 -11.464
  657    HB2  ASP  80           HB2      ASP  80  12.901  20.890 -11.790
  658    HB3  ASP  80           HB3      ASP  80  13.526  19.261 -12.057
  659    H    GLY  81           H        GLY  81  12.784  17.318 -10.418
  660    HA2  GLY  81           HA2      GLY  81  11.009  15.116 -10.991
  661    HA3  GLY  81           HA3      GLY  81  12.240  15.265 -12.236
  662    H    GLU  82           H        GLU  82  13.453  16.353  -9.196
  663    HA   GLU  82           HA       GLU  82  14.492  13.697  -8.365
  664    HB2  GLU  82           HB2      GLU  82  16.193  16.177  -8.907
  665    HB3  GLU  82           HB3      GLU  82  16.751  14.696  -8.119
  666    HG2  GLU  82           HG2      GLU  82  16.252  13.420 -10.206
  667    HG3  GLU  82           HG3      GLU  82  15.785  14.929 -11.001
  668    H    PHE  83           H        PHE  83  14.919  13.578  -6.108
  669    HA   PHE  83           HA       PHE  83  13.885  15.768  -4.456
  670    HB2  PHE  83           HB2      PHE  83  13.980  14.364  -2.662
  671    HB3  PHE  83           HB3      PHE  83  13.657  13.232  -3.955
  672    HD1  PHE  83           HD1      PHE  83  16.062  14.425  -1.463
  673    HD2  PHE  83           HD2      PHE  83  15.499  11.678  -4.737
  674    HE1  PHE  83           HE1      PHE  83  18.190  13.320  -0.888
  675    HE2  PHE  83           HE2      PHE  83  17.617  10.526  -4.125
  676    HZ   PHE  83           HZ       PHE  83  18.977  11.359  -2.222
  677    H    PHE  84           H        PHE  84  15.164  16.957  -2.929
  678    HA   PHE  84           HA       PHE  84  18.025  17.306  -3.751
  679    HB2  PHE  84           HB2      PHE  84  16.363  19.146  -4.164
  680    HB3  PHE  84           HB3      PHE  84  16.126  19.258  -2.423
  681    HD1  PHE  84           HD2      PHE  84  18.682  19.570  -5.140
  682    HD2  PHE  84           HD1      PHE  84  17.629  20.523  -1.064
  683    HE1  PHE  84           HE2      PHE  84  20.638  21.109  -4.983
  684    HE2  PHE  84           HE1      PHE  84  19.561  22.064  -0.934
  685    HZ   PHE  84           HZ       PHE  84  21.069  22.345  -2.882
  686    H    GLY  85           H        GLY  85  15.862  17.049  -0.904
  687    HA2  GLY  85           HA2      GLY  85  16.898  15.462   0.816
  688    HA3  GLY  85           HA3      GLY  85  18.241  16.604   0.883
  689    H    GLY  86           H        GLY  86  17.792  16.796   3.147
  690    HA2  GLY  86           HA2      GLY  86  15.245  17.742   4.178
  691    HA3  GLY  86           HA3      GLY  86  16.764  17.605   5.075
  692    H    CYS  87           H        CYS  87  15.123  19.669   5.652
  693    HA   CYS  87           HA       CYS  87  15.632  22.068   4.144
  694    HB2  CYS  87           HB2      CYS  87  14.585  23.151   6.175
  695    HB3  CYS  87           HB3      CYS  87  13.625  21.875   5.417
  696    HG   CYS  87           HG       CYS  87  13.342  21.701   8.050
  697    H    ASP  88           H        ASP  88  17.062  20.996   7.289
  698    HA   ASP  88           HA       ASP  88  18.976  23.086   7.489
  699    HB2  ASP  88           HB2      ASP  88  18.431  21.575   9.327
  700    HB3  ASP  88           HB3      ASP  88  19.099  20.204   8.440
  701    H    ILE  89           H        ILE  89  19.205  19.948   5.804
  702    HA   ILE  89           HA       ILE  89  21.863  20.251   4.729
  703    HB   ILE  89           HB       ILE  89  19.448  18.744   3.658
  704   HG12  ILE  89          HG12      ILE  89  21.951  17.787   5.128
  705   HG13  ILE  89          HG13      ILE  89  20.377  18.017   5.888
  706   HG21  ILE  89          HG21      ILE  89  20.977  19.230   1.782
  707   HG22  ILE  89          HG22      ILE  89  22.349  18.604   2.728
  708   HG23  ILE  89          HG23      ILE  89  21.035  17.531   2.188
  709   HD11  ILE  89          HD11      ILE  89  19.406  16.284   4.358
  710   HD12  ILE  89          HD12      ILE  89  21.051  15.946   3.763
  711   HD13  ILE  89          HD13      ILE  89  20.659  15.682   5.460
  712    H    THR  90           H        THR  90  18.703  21.415   3.505
  713    HA   THR  90           HA       THR  90  19.715  22.620   1.108
  714    HB   THR  90           HB       THR  90  17.245  23.381   2.710
  715    HG1  THR  90           HG1      THR  90  17.232  21.239   1.940
  716   HG21  THR  90          HG21      THR  90  18.017  23.993  -0.172
  717   HG22  THR  90          HG22      THR  90  16.453  24.329   0.593
  718   HG23  THR  90          HG23      THR  90  17.881  25.192   1.137
  719    H    VAL  91           H        VAL  91  19.316  23.979   4.400
  720    HA   VAL  91           HA       VAL  91  20.149  26.606   3.739
  721    HB   VAL  91           HB       VAL  91  20.610  25.137   6.358
  722   HG11  VAL  91          HG11      VAL  91  22.146  27.051   6.274
  723   HG12  VAL  91          HG12      VAL  91  20.833  28.113   5.717
  724   HG13  VAL  91          HG13      VAL  91  20.802  27.424   7.353
  725   HG21  VAL  91          HG21      VAL  91  18.216  25.382   5.764
  726   HG22  VAL  91          HG22      VAL  91  18.637  26.435   7.114
  727   HG23  VAL  91          HG23      VAL  91  18.451  27.115   5.487
  728    H    GLU  92           H        GLU  92  22.292  23.802   4.655
  729    HA   GLU  92           HA       GLU  92  24.680  25.411   4.199
  730    HB2  GLU  92           HB2      GLU  92  25.965  23.427   4.534
  731    HB3  GLU  92           HB3      GLU  92  24.780  23.656   5.817
  732    HG2  GLU  92           HG2      GLU  92  23.372  21.898   4.895
  733    HG3  GLU  92           HG3      GLU  92  24.453  21.703   3.500
  734    H    ALA  93           H        ALA  93  22.788  23.201   2.125
  735    HA   ALA  93           HA       ALA  93  24.635  23.090  -0.046
  736    HB1  ALA  93           HB1      ALA  93  22.671  22.339  -1.305
  737    HB2  ALA  93           HB2      ALA  93  22.689  21.588   0.293
  738    HB3  ALA  93           HB3      ALA  93  21.594  22.947  -0.037
  739    H    TYR  94           H        TYR  94  22.100  25.499   0.740
  740    HA   TYR  94           HA       TYR  94  22.467  27.203  -1.555
  741    HB2  TYR  94           HB2      TYR  94  20.522  27.416  -0.165
  742    HB3  TYR  94           HB3      TYR  94  21.481  27.625   1.283
  743    HD1  TYR  94           HD1      TYR  94  20.888  29.281  -2.059
  744    HD2  TYR  94           HD2      TYR  94  21.889  29.770   2.111
  745    HE1  TYR  94           HE1      TYR  94  20.775  31.760  -2.313
  746    HE2  TYR  94           HE2      TYR  94  21.780  32.238   1.855
  747    HH   TYR  94           HH       TYR  94  21.385  33.990   0.418
  748    H    LYS  95           H        LYS  95  24.020  27.242   1.703
  749    HA   LYS  95           HA       LYS  95  25.825  29.418   1.104
  750    HB2  LYS  95           HB2      LYS  95  25.921  27.151   3.140
  751    HB3  LYS  95           HB3      LYS  95  27.094  28.467   3.087
  752    HG2  LYS  95           HG2      LYS  95  25.326  30.137   3.428
  753    HG3  LYS  95           HG3      LYS  95  24.086  28.876   3.442
  754    HD2  LYS  95           HD2      LYS  95  25.153  27.842   5.437
  755    HD3  LYS  95           HD3      LYS  95  26.393  29.120   5.422
  756    HE2  LYS  95           HE2      LYS  95  24.581  30.838   5.659
  757    HE3  LYS  95           HE3      LYS  95  23.387  29.540   5.768
  758    HZ1  LYS  95           HZ1      LYS  95  24.073  30.336   7.964
  759    HZ2  LYS  95           HZ2      LYS  95  24.521  28.770   7.795
  760    HZ3  LYS  95           HZ3      LYS  95  25.634  29.966   7.675
  761    H    SER  96           H        SER  96  26.030  25.963   0.434
  762    HA   SER  96           HA       SER  96  28.821  26.073  -0.476
  763    HB2  SER  96           HB2      SER  96  26.742  23.872  -0.769
  764    HB3  SER  96           HB3      SER  96  28.492  23.718  -0.989
  765    HG   SER  96           HG       SER  96  27.030  24.249   1.401
  766    H    GLY  97           H        GLY  97  25.789  26.757  -2.000
  767    HA2  GLY  97           HA2      GLY  97  25.513  27.710  -4.133
  768    HA3  GLY  97           HA3      GLY  97  27.095  27.078  -4.648
  769    H    GLU  98           H        GLU  98  25.382  24.598  -3.163
  770    HA   GLU  98           HA       GLU  98  25.045  23.172  -5.686
  771    HB2  GLU  98           HB2      GLU  98  24.240  22.378  -2.867
  772    HB3  GLU  98           HB3      GLU  98  24.340  21.312  -4.274
  773    HG2  GLU  98           HG2      GLU  98  26.810  21.875  -4.408
  774    HG3  GLU  98           HG3      GLU  98  26.641  22.763  -2.887
  775    H    LEU  99           H        LEU  99  22.833  24.743  -3.313
  776    HA   LEU  99           HA       LEU  99  20.415  23.917  -4.663
  777    HB2  LEU  99           HB2      LEU  99  20.529  24.861  -2.326
  778    HB3  LEU  99           HB3      LEU  99  20.925  26.437  -3.012
  779    HG   LEU  99           HG       LEU  99  18.721  26.446  -4.212
  780   HD11  LEU  99          HD11      LEU  99  16.953  24.864  -3.495
  781   HD12  LEU  99          HD12      LEU  99  18.246  24.022  -4.342
  782   HD13  LEU  99          HD13      LEU  99  18.149  23.937  -2.570
  783   HD21  LEU  99          HD21      LEU  99  18.658  26.108  -1.186
  784   HD22  LEU  99          HD22      LEU  99  18.974  27.604  -2.089
  785   HD23  LEU  99          HD23      LEU  99  17.375  26.857  -2.155
  786    H    GLN 100           H        GLN 100  22.464  26.834  -5.051
  787    HA   GLN 100           HA       GLN 100  20.992  28.084  -7.139
  788    HB2  GLN 100           HB2      GLN 100  22.879  29.090  -5.845
  789    HB3  GLN 100           HB3      GLN 100  24.016  28.027  -6.674
  790    HG2  GLN 100           HG2      GLN 100  23.426  29.058  -8.850
  791    HG3  GLN 100           HG3      GLN 100  22.270  30.119  -8.042
  792   HE21  GLN 100          HE22      GLN 100  23.345  31.506  -6.135
  793   HE22  GLN 100          HE21      GLN 100  24.943  32.124  -6.522
  794    H    GLU 101           H        GLU 101  23.662  25.649  -7.411
  795    HA   GLU 101           HA       GLU 101  23.670  25.375 -10.207
  796    HB2  GLU 101           HB2      GLU 101  25.337  24.416  -8.645
  797    HB3  GLU 101           HB3      GLU 101  24.127  23.283  -8.044
  798    HG2  GLU 101           HG2      GLU 101  23.968  22.370 -10.441
  799    HG3  GLU 101           HG3      GLU 101  25.389  23.355 -10.805
  800    H    GLN 102           H        GLN 102  21.706  23.410  -7.839
  801    HA   GLN 102           HA       GLN 102  20.435  22.008 -10.015
  802    HB2  GLN 102           HB2      GLN 102  19.764  22.074  -7.057
  803    HB3  GLN 102           HB3      GLN 102  19.044  20.980  -8.238
  804    HG2  GLN 102           HG2      GLN 102  22.012  21.088  -7.511
  805    HG3  GLN 102           HG3      GLN 102  20.867  19.859  -7.003
  806   HE21  GLN 102          HE22      GLN 102  23.430  20.142  -9.064
  807   HE22  GLN 102          HE21      GLN 102  22.832  19.104 -10.343
  808    H    VAL 103           H        VAL 103  19.395  24.836  -8.097
  809    HA   VAL 103           HA       VAL 103  16.749  24.976  -9.243
  810    HB   VAL 103           HB       VAL 103  18.563  27.091  -8.046
  811   HG11  VAL 103          HG11      VAL 103  16.560  28.569  -7.932
  812   HG12  VAL 103          HG12      VAL 103  17.105  28.302  -9.589
  813   HG13  VAL 103          HG13      VAL 103  15.678  27.426  -8.974
  814   HG21  VAL 103          HG21      VAL 103  16.963  26.948  -6.157
  815   HG22  VAL 103          HG22      VAL 103  15.972  25.789  -7.060
  816   HG23  VAL 103          HG23      VAL 103  17.580  25.330  -6.506
  817    H    GLU 104           H        GLU 104  19.953  26.299 -10.363
  818    HA   GLU 104           HA       GLU 104  18.919  27.509 -12.725
  819    HB2  GLU 104           HB2      GLU 104  21.151  27.976 -11.788
  820    HB3  GLU 104           HB3      GLU 104  21.683  26.338 -12.206
  821    HG2  GLU 104           HG2      GLU 104  21.339  26.819 -14.601
  822    HG3  GLU 104           HG3      GLU 104  20.682  28.414 -14.206
  823    H    LYS 105           H        LYS 105  20.202  24.157 -12.171
  824    HA   LYS 105           HA       LYS 105  19.846  23.155 -14.788
  825    HB2  LYS 105           HB2      LYS 105  20.975  21.975 -12.884
  826    HB3  LYS 105           HB3      LYS 105  19.395  21.709 -12.137
  827    HG2  LYS 105           HG2      LYS 105  18.717  20.428 -14.241
  828    HG3  LYS 105           HG3      LYS 105  20.409  20.564 -14.766
  829    HD2  LYS 105           HD2      LYS 105  21.111  19.384 -12.674
  830    HD3  LYS 105           HD3      LYS 105  19.401  19.254 -12.196
  831    HE2  LYS 105           HE2      LYS 105  18.944  17.994 -14.325
  832    HE3  LYS 105           HE3      LYS 105  20.676  18.037 -14.690
  833    HZ1  LYS 105           HZ1      LYS 105  21.029  16.814 -12.566
  834    HZ2  LYS 105           HZ2      LYS 105  19.406  16.671 -12.360
  835    HZ3  LYS 105           HZ3      LYS 105  20.133  15.962 -13.633
  836    H    ALA 106           H        ALA 106  17.428  23.298 -12.123
  837    HA   ALA 106           HA       ALA 106  15.255  22.164 -13.593
  838    HB1  ALA 106           HB1      ALA 106  15.248  24.112 -11.239
  839    HB2  ALA 106           HB2      ALA 106  13.919  23.051 -11.737
  840    HB3  ALA 106           HB3      ALA 106  15.438  22.345 -11.142
  841    H    MET 107           H        MET 107  16.244  25.607 -13.229
  842    HA   MET 107           HA       MET 107  14.065  26.717 -14.760
  843    HB2  MET 107           HB2      MET 107  16.856  27.717 -14.077
  844    HB3  MET 107           HB3      MET 107  15.707  28.661 -15.026
  845    HG2  MET 107           HG2      MET 107  14.073  28.625 -13.216
  846    HG3  MET 107           HG3      MET 107  15.119  27.587 -12.245
  847    HE1  MET 107           HE1      MET 107  15.034  31.051 -10.367
  848    HE2  MET 107           HE2      MET 107  13.728  30.398 -11.374
  849    HE3  MET 107           HE3      MET 107  14.628  29.321 -10.282
  850    H    CYS 108           H        CYS 108  17.270  25.465 -15.767
  851    HA   CYS 108           HA       CYS 108  16.908  26.038 -18.585
  852    HB2  CYS 108           HB2      CYS 108  18.626  23.939 -17.172
  853    HB3  CYS 108           HB3      CYS 108  18.754  24.405 -18.871
  854    HG   CYS 108           HG       CYS 108  19.213  26.227 -16.138
  855    H    SER 109           H        SER 109  16.051  23.271 -16.565
  856    HA   SER 109           HA       SER 109  14.723  21.452 -16.787
  857    HB2  SER 109           HB2      SER 109  13.419  23.071 -19.008
  858    HB3  SER 109           HB3      SER 109  12.794  21.538 -18.384
  859    HG   SER 109           HG       SER 109  13.447  23.406 -16.440
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   4.944   0.704  -4.273
    2    H2   MET   1           H2       MET   1   5.034  -0.080  -2.839
    3    H3   MET   1           H3       MET   1   4.493  -0.878  -4.166
    4    HA   MET   1           HA       MET   1   2.663  -0.288  -2.676
    5    HB2  MET   1           HB2      MET   1   3.773   1.780  -1.812
    6    HB3  MET   1           HB3      MET   1   3.483   2.574  -3.356
    7    HG2  MET   1           HG2      MET   1   1.044   2.415  -2.993
    8    HG3  MET   1           HG3      MET   1   1.326   1.540  -1.477
    9    HE1  MET   1           HE1      MET   1  -0.246   3.250  -0.178
   10    HE2  MET   1           HE2      MET   1  -0.069   5.017  -0.269
   11    HE3  MET   1           HE3      MET   1  -0.557   4.097  -1.711
   12    H    ALA   2           H        ALA   2   0.585  -0.196  -3.632
   13    HA   ALA   2           HA       ALA   2   0.427  -0.111  -6.557
   14    HB1  ALA   2           HB1      ALA   2  -1.916  -0.751  -6.141
   15    HB2  ALA   2           HB2      ALA   2  -0.803  -1.782  -5.222
   16    HB3  ALA   2           HB3      ALA   2  -1.701  -0.484  -4.400
   17    H    LEU   3           H        LEU   3   1.338   2.175  -6.451
   18    HA   LEU   3           HA       LEU   3  -0.404   4.272  -5.462
   19    HB2  LEU   3           HB2      LEU   3   2.133   4.085  -5.230
   20    HB3  LEU   3           HB3      LEU   3   2.256   4.509  -6.931
   21    HG   LEU   3           HG       LEU   3   1.220   6.724  -6.434
   22   HD11  LEU   3          HD11      LEU   3   1.150   5.706  -3.560
   23   HD12  LEU   3          HD12      LEU   3   0.942   7.398  -4.020
   24   HD13  LEU   3          HD13      LEU   3  -0.239   6.213  -4.553
   25   HD21  LEU   3          HD21      LEU   3   3.104   7.657  -5.163
   26   HD22  LEU   3          HD22      LEU   3   3.555   6.030  -4.613
   27   HD23  LEU   3          HD23      LEU   3   3.661   6.453  -6.337
   28    H    THR   4           H        THR   4  -1.903   3.105  -7.276
   29    HA   THR   4           HA       THR   4  -1.902   4.494  -9.850
   30    HB   THR   4           HB       THR   4  -4.058   3.311 -10.200
   31    HG1  THR   4           HG1      THR   4  -4.629   1.772  -8.630
   32   HG21  THR   4          HG21      THR   4  -3.111   1.070 -10.371
   33   HG22  THR   4          HG22      THR   4  -1.881   2.258 -10.827
   34   HG23  THR   4          HG23      THR   4  -1.811   1.480  -9.230
   35    HA   PRO   5           HA       PRO   5  -5.512   6.937  -7.686
   36    HB2  PRO   5           HB2      PRO   5  -3.900   7.686  -5.241
   37    HB3  PRO   5           HB3      PRO   5  -5.682   7.585  -5.429
   38    HG2  PRO   5           HG2      PRO   5  -4.369   5.568  -4.221
   39    HG3  PRO   5           HG3      PRO   5  -5.607   5.189  -5.470
   40    HD2  PRO   5           HD2      PRO   5  -2.597   5.342  -5.804
   41    HD3  PRO   5           HD3      PRO   5  -3.725   4.057  -6.330
   42    H    ALA   6           H        ALA   6  -5.633   9.327  -7.428
   43    HA   ALA   6           HA       ALA   6  -3.984  10.624  -9.312
   44    HB1  ALA   6           HB1      ALA   6  -5.356  12.597  -8.738
   45    HB2  ALA   6           HB2      ALA   6  -6.358  11.137  -8.857
   46    HB3  ALA   6           HB3      ALA   6  -5.922  11.787  -7.259
   47    H    LEU   7           H        LEU   7  -3.120  10.070  -6.091
   48    HA   LEU   7           HA       LEU   7  -1.617  12.318  -5.281
   49    HB2  LEU   7           HB2      LEU   7  -2.068  10.289  -3.949
   50    HB3  LEU   7           HB3      LEU   7  -1.070   9.314  -5.015
   51    HG   LEU   7           HG       LEU   7  -0.035   9.786  -2.855
   52   HD11  LEU   7          HD11      LEU   7   2.169  10.209  -3.546
   53   HD12  LEU   7          HD12      LEU   7   1.380   9.399  -4.909
   54   HD13  LEU   7          HD13      LEU   7   1.653  11.141  -4.954
   55   HD21  LEU   7          HD21      LEU   7   0.140  12.704  -3.705
   56   HD22  LEU   7          HD22      LEU   7  -0.940  12.054  -2.442
   57   HD23  LEU   7          HD23      LEU   7   0.817  11.981  -2.235
   58    H    LYS   8           H        LYS   8  -0.473   9.541  -7.287
   59    HA   LYS   8           HA       LYS   8   2.140  10.546  -7.702
   60    HB2  LYS   8           HB2      LYS   8   1.105   8.196  -8.091
   61    HB3  LYS   8           HB3      LYS   8   0.622   8.782  -9.677
   62    HG2  LYS   8           HG2      LYS   8   3.050   9.318 -10.141
   63    HG3  LYS   8           HG3      LYS   8   3.452   8.657  -8.538
   64    HD2  LYS   8           HD2      LYS   8   2.545   6.452  -9.209
   65    HD3  LYS   8           HD3      LYS   8   2.129   7.110 -10.812
   66    HE2  LYS   8           HE2      LYS   8   4.542   7.652 -11.194
   67    HE3  LYS   8           HE3      LYS   8   4.935   6.942  -9.618
   68    HZ1  LYS   8           HZ1      LYS   8   5.287   5.355 -11.422
   69    HZ2  LYS   8           HZ2      LYS   8   4.093   4.805 -10.451
   70    HZ3  LYS   8           HZ3      LYS   8   3.733   5.468 -11.907
   71    H    THR   9           H        THR   9  -0.741  10.883  -9.809
   72    HA   THR   9           HA       THR   9   0.257  12.510 -11.850
   73    HB   THR   9           HB       THR   9  -2.507  12.722 -10.735
   74    HG1  THR   9           HG1      THR   9  -2.902  10.802 -12.028
   75   HG21  THR   9          HG21      THR   9  -1.908  14.051 -12.743
   76   HG22  THR   9          HG22      THR   9  -1.370  12.558 -13.548
   77   HG23  THR   9          HG23      THR   9  -3.085  12.782 -13.140
   78    H    THR  10           H        THR  10  -1.080  13.442  -8.664
   79    HA   THR  10           HA       THR  10  -1.025  16.290  -9.128
   80    HB   THR  10           HB       THR  10  -0.999  14.757  -6.487
   81    HG1  THR  10           HG1      THR  10  -2.773  14.216  -7.704
   82   HG21  THR  10          HG21      THR  10  -0.427  17.119  -6.137
   83   HG22  THR  10          HG22      THR  10  -1.785  17.631  -7.168
   84   HG23  THR  10          HG23      THR  10  -2.091  16.825  -5.617
   85    H    LEU  11           H        LEU  11   1.279  14.083  -7.462
   86    HA   LEU  11           HA       LEU  11   3.225  16.055  -6.795
   87    HB2  LEU  11           HB2      LEU  11   3.611  13.115  -7.482
   88    HB3  LEU  11           HB3      LEU  11   4.833  14.165  -6.777
   89    HG   LEU  11           HG       LEU  11   2.224  13.322  -5.458
   90   HD11  LEU  11          HD11      LEU  11   4.010  11.598  -5.542
   91   HD12  LEU  11          HD12      LEU  11   5.130  12.741  -4.767
   92   HD13  LEU  11          HD13      LEU  11   3.705  12.159  -3.890
   93   HD21  LEU  11          HD21      LEU  11   4.381  15.179  -4.439
   94   HD22  LEU  11          HD22      LEU  11   2.666  15.590  -4.716
   95   HD23  LEU  11          HD23      LEU  11   3.105  14.465  -3.429
   96    H    ASP  12           H        ASP  12   3.140  13.969  -9.731
   97    HA   ASP  12           HA       ASP  12   5.285  15.212 -11.091
   98    HB2  ASP  12           HB2      ASP  12   4.210  13.081 -11.738
   99    HB3  ASP  12           HB3      ASP  12   2.757  13.952 -12.224
  100    H    LYS  13           H        LYS  13   1.777  16.101 -11.173
  101    HA   LYS  13           HA       LYS  13   2.059  18.302 -12.937
  102    HB2  LYS  13           HB2      LYS  13  -0.083  17.248 -12.338
  103    HB3  LYS  13           HB3      LYS  13   0.036  17.891 -10.689
  104    HG2  LYS  13           HG2      LYS  13  -0.086  20.194 -11.555
  105    HG3  LYS  13           HG3      LYS  13  -0.007  19.599 -13.218
  106    HD2  LYS  13           HD2      LYS  13  -2.276  20.211 -12.705
  107    HD3  LYS  13           HD3      LYS  13  -2.182  18.459 -12.932
  108    HE2  LYS  13           HE2      LYS  13  -2.178  18.131 -10.465
  109    HE3  LYS  13           HE3      LYS  13  -2.216  19.888 -10.222
  110    HZ1  LYS  13           HZ1      LYS  13  -4.349  18.299 -11.561
  111    HZ2  LYS  13           HZ2      LYS  13  -4.428  18.905 -10.048
  112    HZ3  LYS  13           HZ3      LYS  13  -4.386  19.919 -11.326
  113    H    VAL  14           H        VAL  14   2.135  18.440  -9.251
  114    HA   VAL  14           HA       VAL  14   2.748  21.203  -9.368
  115    HB   VAL  14           HB       VAL  14   3.328  21.109  -7.069
  116   HG11  VAL  14          HG11      VAL  14   1.170  20.474  -6.167
  117   HG12  VAL  14          HG12      VAL  14   0.977  21.267  -7.739
  118   HG13  VAL  14          HG13      VAL  14   0.819  19.499  -7.609
  119   HG21  VAL  14          HG21      VAL  14   3.222  19.155  -5.656
  120   HG22  VAL  14          HG22      VAL  14   2.943  18.125  -7.061
  121   HG23  VAL  14          HG23      VAL  14   4.502  18.953  -6.854
  122    H    VAL  15           H        VAL  15   4.937  18.360  -9.264
  123    HA   VAL  15           HA       VAL  15   7.360  19.782  -8.930
  124    HB   VAL  15           HB       VAL  15   6.666  17.145 -10.109
  125   HG11  VAL  15          HG11      VAL  15   8.691  17.730 -11.342
  126   HG12  VAL  15          HG12      VAL  15   9.495  18.207  -9.824
  127   HG13  VAL  15          HG13      VAL  15   9.054  16.513 -10.129
  128   HG21  VAL  15          HG21      VAL  15   6.508  17.475  -7.629
  129   HG22  VAL  15          HG22      VAL  15   7.780  16.320  -8.047
  130   HG23  VAL  15          HG23      VAL  15   8.198  17.991  -7.607
  131    H    THR  16           H        THR  16   5.544  19.086 -11.931
  132    HA   THR  16           HA       THR  16   7.619  20.333 -13.614
  133    HB   THR  16           HB       THR  16   6.031  19.859 -15.470
  134    HG1  THR  16           HG1      THR  16   4.614  18.331 -13.571
  135   HG21  THR  16          HG21      THR  16   6.726  17.470 -13.693
  136   HG22  THR  16          HG22      THR  16   6.335  17.419 -15.427
  137   HG23  THR  16          HG23      THR  16   7.797  18.250 -14.875
  138    H    SER  17           H        SER  17   4.356  21.223 -12.477
  139    HA   SER  17           HA       SER  17   4.241  23.631 -14.060
  140    HB2  SER  17           HB2      SER  17   2.295  22.331 -13.136
  141    HB3  SER  17           HB3      SER  17   2.696  22.961 -11.528
  142    HG   SER  17           HG       SER  17   1.097  24.229 -12.589
  143    H    HIS  18           H        HIS  18   5.337  23.045 -10.683
  144    HA   HIS  18           HA       HIS  18   6.015  25.957 -10.428
  145    HB2  HIS  18           HB2      HIS  18   5.656  23.889  -8.233
  146    HB3  HIS  18           HB3      HIS  18   5.917  25.616  -8.027
  147    HD1  HIS  18           HD1      HIS  18   3.730  27.168  -9.154
  148    HD2  HIS  18           HD2      HIS  18   3.197  23.097  -8.271
  149    HE1  HIS  18           HE1      HIS  18   1.214  26.774  -9.089
  150    H    LYS  19           H        LYS  19   8.115  26.371 -10.849
  151    HA   LYS  19           HA       LYS  19  10.138  24.280 -10.825
  152    HB2  LYS  19           HB2      LYS  19  10.395  27.266 -11.312
  153    HB3  LYS  19           HB3      LYS  19  11.598  26.037 -11.706
  154    HG2  LYS  19           HG2      LYS  19   8.830  26.347 -12.961
  155    HG3  LYS  19           HG3      LYS  19  10.368  26.778 -13.693
  156    HD2  LYS  19           HD2      LYS  19  11.057  24.430 -13.777
  157    HD3  LYS  19           HD3      LYS  19   9.561  23.919 -12.963
  158    HE2  LYS  19           HE2      LYS  19   8.189  24.741 -14.779
  159    HE3  LYS  19           HE3      LYS  19   9.585  25.469 -15.588
  160    HZ1  LYS  19           HZ1      LYS  19   9.323  22.537 -15.121
  161    HZ2  LYS  19           HZ2      LYS  19   8.914  23.291 -16.524
  162    HZ3  LYS  19           HZ3      LYS  19  10.471  23.292 -16.005
  163    H    VAL  20           H        VAL  20   9.559  23.897  -8.615
  164    HA   VAL  20           HA       VAL  20  11.251  23.348  -6.839
  165    HB   VAL  20           HB       VAL  20  11.055  26.340  -6.279
  166   HG11  VAL  20          HG11      VAL  20  10.564  25.325  -4.139
  167   HG12  VAL  20          HG12      VAL  20  11.776  24.051  -4.396
  168   HG13  VAL  20          HG13      VAL  20  12.278  25.717  -4.110
  169   HG21  VAL  20          HG21      VAL  20  13.442  26.294  -6.218
  170   HG22  VAL  20          HG22      VAL  20  13.505  24.527  -6.107
  171   HG23  VAL  20          HG23      VAL  20  13.084  25.294  -7.631
  172    H    VAL  21           H        VAL  21  10.102  22.152  -5.528
  173    HA   VAL  21           HA       VAL  21   7.529  23.219  -4.411
  174    HB   VAL  21           HB       VAL  21   8.082  20.313  -5.141
  175   HG11  VAL  21          HG11      VAL  21   5.645  20.021  -4.654
  176   HG12  VAL  21          HG12      VAL  21   6.550  20.507  -3.221
  177   HG13  VAL  21          HG13      VAL  21   5.570  21.706  -4.095
  178   HG21  VAL  21          HG21      VAL  21   6.328  20.617  -6.863
  179   HG22  VAL  21          HG22      VAL  21   6.272  22.354  -6.502
  180   HG23  VAL  21          HG23      VAL  21   7.742  21.624  -7.197
  181    H    LEU  22           H        LEU  22   7.400  23.167  -2.261
  182    HA   LEU  22           HA       LEU  22   9.378  21.624  -0.631
  183    HB2  LEU  22           HB2      LEU  22   7.654  24.087  -0.129
  184    HB3  LEU  22           HB3      LEU  22   8.216  23.112   1.207
  185    HG   LEU  22           HG       LEU  22   9.597  25.051   0.916
  186   HD11  LEU  22          HD11      LEU  22  11.163  22.540   0.194
  187   HD12  LEU  22          HD12      LEU  22  11.779  23.980   1.002
  188   HD13  LEU  22          HD13      LEU  22  10.588  22.961   1.820
  189   HD21  LEU  22          HD21      LEU  22   9.390  25.347  -1.553
  190   HD22  LEU  22          HD22      LEU  22  11.063  25.437  -0.966
  191   HD23  LEU  22          HD23      LEU  22  10.501  23.976  -1.784
  192    H    PHE  23           H        PHE  23   8.734  20.038   0.639
  193    HA   PHE  23           HA       PHE  23   5.814  19.382   0.879
  194    HB2  PHE  23           HB2      PHE  23   8.296  17.625   0.778
  195    HB3  PHE  23           HB3      PHE  23   6.719  17.044   1.275
  196    HD1  PHE  23           HD1      PHE  23   4.779  17.122  -0.335
  197    HD2  PHE  23           HD2      PHE  23   8.806  17.997  -1.596
  198    HE1  PHE  23           HE1      PHE  23   4.090  16.873  -2.699
  199    HE2  PHE  23           HE2      PHE  23   8.103  17.713  -3.970
  200    HZ   PHE  23           HZ       PHE  23   5.759  17.172  -4.523
  201    H    MET  24           H        MET  24   5.074  19.929   2.818
  202    HA   MET  24           HA       MET  24   6.687  19.664   5.292
  203    HB2  MET  24           HB2      MET  24   6.306  22.091   5.807
  204    HB3  MET  24           HB3      MET  24   7.436  21.808   4.489
  205    HG2  MET  24           HG2      MET  24   5.938  22.559   2.843
  206    HG3  MET  24           HG3      MET  24   4.516  22.285   3.846
  207    HE1  MET  24           HE1      MET  24   7.419  25.812   4.573
  208    HE2  MET  24           HE2      MET  24   7.705  24.187   5.251
  209    HE3  MET  24           HE3      MET  24   7.752  24.448   3.483
  210    H    LYS  25           H        LYS  25   5.470  20.282   7.225
  211    HA   LYS  25           HA       LYS  25   2.654  19.433   7.146
  212    HB2  LYS  25           HB2      LYS  25   4.536  18.798   8.820
  213    HB3  LYS  25           HB3      LYS  25   4.281  20.398   9.532
  214    HG2  LYS  25           HG2      LYS  25   1.802  19.710   9.789
  215    HG3  LYS  25           HG3      LYS  25   2.305  18.086   9.327
  216    HD2  LYS  25           HD2      LYS  25   3.240  19.707  11.730
  217    HD3  LYS  25           HD3      LYS  25   2.190  18.286  11.755
  218    HE2  LYS  25           HE2      LYS  25   4.069  16.890  10.896
  219    HE3  LYS  25           HE3      LYS  25   5.127  18.309  10.894
  220    HZ1  LYS  25           HZ1      LYS  25   5.411  16.997  12.918
  221    HZ2  LYS  25           HZ2      LYS  25   4.805  18.463  13.314
  222    HZ3  LYS  25           HZ3      LYS  25   3.830  17.146  13.307
  223    H    GLY  26           H        GLY  26   2.775  21.650   5.625
  224    HA2  GLY  26           HA2      GLY  26   1.195  23.735   6.807
  225    HA3  GLY  26           HA3      GLY  26   2.875  24.210   6.840
  226    H    THR  27           H        THR  27   2.190  25.964   5.492
  227    HA   THR  27           HA       THR  27   1.984  25.379   2.568
  228    HB   THR  27           HB       THR  27   0.250  27.053   2.296
  229    HG1  THR  27           HG1      THR  27  -0.709  27.902   4.236
  230   HG21  THR  27          HG21      THR  27  -0.660  25.195   4.532
  231   HG22  THR  27          HG22      THR  27  -1.654  25.959   3.278
  232   HG23  THR  27          HG23      THR  27  -0.483  24.705   2.832
  233    H    LYS  28           H        LYS  28   2.125  27.654   1.360
  234    HA   LYS  28           HA       LYS  28   4.685  28.802   2.022
  235    HB2  LYS  28           HB2      LYS  28   4.355  30.185   0.103
  236    HB3  LYS  28           HB3      LYS  28   3.747  28.573  -0.264
  237    HG2  LYS  28           HG2      LYS  28   1.396  29.446   0.188
  238    HG3  LYS  28           HG3      LYS  28   2.094  31.048   0.449
  239    HD2  LYS  28           HD2      LYS  28   1.230  30.995  -1.769
  240    HD3  LYS  28           HD3      LYS  28   2.999  31.003  -1.895
  241    HE2  LYS  28           HE2      LYS  28   3.001  28.555  -2.289
  242    HE3  LYS  28           HE3      LYS  28   1.256  28.495  -2.026
  243    HZ1  LYS  28           HZ1      LYS  28   1.719  28.476  -4.347
  244    HZ2  LYS  28           HZ2      LYS  28   0.992  29.907  -4.003
  245    HZ3  LYS  28           HZ3      LYS  28   2.613  29.863  -4.278
  246    H    ASP  29           H        ASP  29   1.454  29.673   2.993
  247    HA   ASP  29           HA       ASP  29   2.273  32.311   4.072
  248    HB2  ASP  29           HB2      ASP  29   0.095  31.930   2.858
  249    HB3  ASP  29           HB3      ASP  29  -0.416  30.905   4.202
  250    H    PHE  30           H        PHE  30   1.642  29.021   5.168
  251    HA   PHE  30           HA       PHE  30   2.472  29.780   7.944
  252    HB2  PHE  30           HB2      PHE  30   0.431  27.692   7.095
  253    HB3  PHE  30           HB3      PHE  30   1.065  27.886   8.721
  254    HD1  PHE  30           HD2      PHE  30   0.725  30.133   9.930
  255    HD2  PHE  30           HD1      PHE  30  -1.479  28.966   6.417
  256    HE1  PHE  30           HE2      PHE  30  -1.048  31.780  10.497
  257    HE2  PHE  30           HE1      PHE  30  -3.250  30.606   6.984
  258    HZ   PHE  30           HZ       PHE  30  -3.038  32.025   9.015
  259    HA   PRO  31           HA       PRO  31   5.455  26.629   6.269
  260    HB2  PRO  31           HB2      PRO  31   7.795  27.991   6.575
  261    HB3  PRO  31           HB3      PRO  31   6.729  28.245   5.154
  262    HG2  PRO  31           HG2      PRO  31   6.855  29.899   7.698
  263    HG3  PRO  31           HG3      PRO  31   6.914  30.477   6.001
  264    HD2  PRO  31           HD2      PRO  31   4.593  30.449   7.444
  265    HD3  PRO  31           HD3      PRO  31   4.614  30.091   5.688
  266    H    GLN  32           H        GLN  32   7.217  25.561   7.566
  267    HA   GLN  32           HA       GLN  32   6.569  25.581  10.438
  268    HB2  GLN  32           HB2      GLN  32   8.555  23.876   8.882
  269    HB3  GLN  32           HB3      GLN  32   8.100  23.679  10.572
  270    HG2  GLN  32           HG2      GLN  32   5.723  23.260   9.854
  271    HG3  GLN  32           HG3      GLN  32   6.242  23.386   8.162
  272   HE21  GLN  32          HE22      GLN  32   7.201  21.524  11.175
  273   HE22  GLN  32          HE21      GLN  32   7.483  20.050  10.264
  274    H    CYS  33           H        CYS  33   7.741  26.553  11.979
  275    HA   CYS  33           HA       CYS  33   9.635  28.568  11.290
  276    HB2  CYS  33           HB2      CYS  33   8.757  27.405  13.965
  277    HB3  CYS  33           HB3      CYS  33   9.860  28.781  13.812
  278    HG   CYS  33           HG       CYS  33   6.840  28.543  12.404
  279    H    GLY  34           H        GLY  34  11.797  28.861  11.730
  280    HA2  GLY  34           HA2      GLY  34  14.035  28.201  12.182
  281    HA3  GLY  34           HA3      GLY  34  13.507  26.526  12.439
  282    H    PHE  35           H        PHE  35  14.041  25.141  10.843
  283    HA   PHE  35           HA       PHE  35  15.628  25.964   8.683
  284    HB2  PHE  35           HB2      PHE  35  14.186  23.316   9.129
  285    HB3  PHE  35           HB3      PHE  35  15.450  23.594   7.936
  286    HD1  PHE  35           HD2      PHE  35  17.778  24.212   8.641
  287    HD2  PHE  35           HD1      PHE  35  14.780  22.866  11.439
  288    HE1  PHE  35           HE2      PHE  35  19.552  23.691  10.298
  289    HE2  PHE  35           HE1      PHE  35  16.559  22.357  13.092
  290    HZ   PHE  35           HZ       PHE  35  18.946  22.774  12.527
  291    H    SER  36           H        SER  36  12.233  24.640   8.347
  292    HA   SER  36           HA       SER  36  12.203  25.080   5.534
  293    HB2  SER  36           HB2      SER  36   9.822  24.945   7.398
  294    HB3  SER  36           HB3      SER  36   9.842  24.636   5.646
  295    HG   SER  36           HG       SER  36   9.983  22.696   6.980
  296    H    GLN  37           H        GLN  37  10.938  27.192   8.154
  297    HA   GLN  37           HA       GLN  37  10.044  29.411   6.666
  298    HB2  GLN  37           HB2      GLN  37   9.770  29.147   9.061
  299    HB3  GLN  37           HB3      GLN  37  11.516  29.170   9.314
  300    HG2  GLN  37           HG2      GLN  37  11.548  31.573   8.555
  301    HG3  GLN  37           HG3      GLN  37   9.789  31.502   8.403
  302   HE21  GLN  37          HE22      GLN  37   9.499  33.159  10.087
  303   HE22  GLN  37          HE21      GLN  37   9.833  32.763  11.764
  304    H    THR  38           H        THR  38  13.412  28.748   7.803
  305    HA   THR  38           HA       THR  38  14.650  30.953   6.480
  306    HB   THR  38           HB       THR  38  15.895  28.255   7.170
  307    HG1  THR  38           HG1      THR  38  15.076  29.200   8.995
  308   HG21  THR  38          HG21      THR  38  17.994  29.571   7.286
  309   HG22  THR  38          HG22      THR  38  17.324  29.569   5.652
  310   HG23  THR  38          HG23      THR  38  17.135  31.005   6.680
  311    H    VAL  39           H        VAL  39  14.161  27.579   5.379
  312    HA   VAL  39           HA       VAL  39  15.356  27.923   2.852
  313    HB   VAL  39           HB       VAL  39  13.302  25.934   3.785
  314   HG11  VAL  39          HG11      VAL  39  14.578  26.142   1.033
  315   HG12  VAL  39          HG12      VAL  39  13.870  24.646   1.682
  316   HG13  VAL  39          HG13      VAL  39  12.847  26.065   1.417
  317   HG21  VAL  39          HG21      VAL  39  15.618  25.767   4.685
  318   HG22  VAL  39          HG22      VAL  39  15.246  24.421   3.606
  319   HG23  VAL  39          HG23      VAL  39  16.259  25.765   3.037
  320    H    VAL  40           H        VAL  40  11.785  28.412   3.632
  321    HA   VAL  40           HA       VAL  40  11.257  29.098   0.907
  322    HB   VAL  40           HB       VAL  40   9.210  30.110   1.634
  323   HG11  VAL  40          HG11      VAL  40   8.133  28.080   2.477
  324   HG12  VAL  40          HG12      VAL  40   9.349  27.679   1.252
  325   HG13  VAL  40          HG13      VAL  40   9.705  27.425   2.975
  326   HG21  VAL  40          HG21      VAL  40   9.809  31.139   3.766
  327   HG22  VAL  40          HG22      VAL  40   8.398  30.090   3.913
  328   HG23  VAL  40          HG23      VAL  40   9.972  29.520   4.490
  329    H    GLN  41           H        GLN  41  12.394  31.158   3.621
  330    HA   GLN  41           HA       GLN  41  12.333  33.618   2.104
  331    HB2  GLN  41           HB2      GLN  41  12.498  33.504   4.581
  332    HB3  GLN  41           HB3      GLN  41  14.091  32.763   4.448
  333    HG2  GLN  41           HG2      GLN  41  14.275  35.151   4.968
  334    HG3  GLN  41           HG3      GLN  41  15.007  34.784   3.414
  335   HE21  GLN  41          HE22      GLN  41  14.770  36.861   2.420
  336   HE22  GLN  41          HE21      GLN  41  13.196  37.591   2.157
  337    H    ILE  42           H        ILE  42  14.760  31.005   2.393
  338    HA   ILE  42           HA       ILE  42  16.799  32.223   0.800
  339    HB   ILE  42           HB       ILE  42  16.125  29.426   1.631
  340   HG12  ILE  42          HG12      ILE  42  18.602  31.148   1.946
  341   HG13  ILE  42          HG13      ILE  42  17.294  31.042   3.115
  342   HG21  ILE  42          HG21      ILE  42  16.791  29.001  -0.652
  343   HG22  ILE  42          HG22      ILE  42  18.218  30.030  -0.453
  344   HG23  ILE  42          HG23      ILE  42  18.062  28.486   0.431
  345   HD11  ILE  42          HD11      ILE  42  19.197  28.802   2.326
  346   HD12  ILE  42          HD12      ILE  42  19.066  29.626   3.883
  347   HD13  ILE  42          HD13      ILE  42  17.744  28.570   3.333
  348    H    LEU  43           H        LEU  43  14.107  30.061  -0.401
  349    HA   LEU  43           HA       LEU  43  14.912  30.339  -3.149
  350    HB2  LEU  43           HB2      LEU  43  12.169  29.834  -1.881
  351    HB3  LEU  43           HB3      LEU  43  12.400  29.959  -3.608
  352    HG   LEU  43           HG       LEU  43  12.265  27.729  -3.207
  353   HD11  LEU  43          HD11      LEU  43  14.135  28.318  -4.747
  354   HD12  LEU  43          HD12      LEU  43  15.279  28.179  -3.391
  355   HD13  LEU  43          HD13      LEU  43  14.382  26.756  -3.936
  356   HD21  LEU  43          HD21      LEU  43  14.398  27.791  -1.060
  357   HD22  LEU  43          HD22      LEU  43  12.636  27.728  -0.772
  358   HD23  LEU  43          HD23      LEU  43  13.434  26.398  -1.604
  359    H    LYS  44           H        LYS  44  12.608  32.302  -1.249
  360    HA   LYS  44           HA       LYS  44  11.907  34.208  -3.191
  361    HB2  LYS  44           HB2      LYS  44  12.396  34.499  -0.199
  362    HB3  LYS  44           HB3      LYS  44  11.722  35.788  -1.186
  363    HG2  LYS  44           HG2      LYS  44  10.456  33.040  -1.272
  364    HG3  LYS  44           HG3      LYS  44  10.177  34.049   0.138
  365    HD2  LYS  44           HD2      LYS  44   9.629  35.047  -2.693
  366    HD3  LYS  44           HD3      LYS  44   8.436  34.142  -1.744
  367    HE2  LYS  44           HE2      LYS  44   8.576  35.789   0.087
  368    HE3  LYS  44           HE3      LYS  44   9.770  36.731  -0.815
  369    HZ1  LYS  44           HZ1      LYS  44   8.069  37.099  -2.535
  370    HZ2  LYS  44           HZ2      LYS  44   6.966  36.241  -1.679
  371    HZ3  LYS  44           HZ3      LYS  44   7.547  37.647  -1.088
  372    H    SER  45           H        SER  45  14.670  34.359  -0.949
  373    HA   SER  45           HA       SER  45  15.918  36.706  -1.977
  374    HB2  SER  45           HB2      SER  45  17.216  34.445  -0.413
  375    HB3  SER  45           HB3      SER  45  17.779  36.117  -0.540
  376    HG   SER  45           HG       SER  45  15.506  35.083   0.800
  377    H    LEU  46           H        LEU  46  16.422  33.288  -2.883
  378    HA   LEU  46           HA       LEU  46  18.708  33.542  -4.560
  379    HB2  LEU  46           HB2      LEU  46  17.313  31.522  -3.650
  380    HB3  LEU  46           HB3      LEU  46  16.303  31.740  -5.073
  381    HG   LEU  46           HG       LEU  46  19.289  31.169  -5.105
  382   HD11  LEU  46          HD11      LEU  46  16.914  29.284  -5.374
  383   HD12  LEU  46          HD12      LEU  46  18.619  28.825  -5.606
  384   HD13  LEU  46          HD13      LEU  46  18.055  29.351  -4.018
  385   HD21  LEU  46          HD21      LEU  46  18.709  32.075  -7.236
  386   HD22  LEU  46          HD22      LEU  46  18.757  30.332  -7.461
  387   HD23  LEU  46          HD23      LEU  46  17.185  31.150  -7.306
  388    H    ASN  47           H        ASN  47  15.362  34.288  -4.972
  389    HA   ASN  47           HA       ASN  47  14.543  36.216  -6.002
  390    HB2  ASN  47           HB2      ASN  47  16.524  35.874  -8.286
  391    HB3  ASN  47           HB3      ASN  47  15.261  37.080  -8.160
  392   HD21  ASN  47          HD22      ASN  47  15.346  38.231  -5.745
  393   HD22  ASN  47          HD21      ASN  47  16.945  38.874  -5.427
  394    H    ALA  48           H        ALA  48  13.372  34.027  -5.607
  395    HA   ALA  48           HA       ALA  48  12.087  33.252  -8.188
  396    HB1  ALA  48           HB1      ALA  48  13.599  31.282  -6.410
  397    HB2  ALA  48           HB2      ALA  48  12.638  30.846  -7.834
  398    HB3  ALA  48           HB3      ALA  48  14.094  31.835  -8.029
  399    HA   PRO  49           HA       PRO  49   8.576  32.171  -5.546
  400    HB2  PRO  49           HB2      PRO  49   6.912  31.064  -7.359
  401    HB3  PRO  49           HB3      PRO  49   7.383  32.783  -7.488
  402    HG2  PRO  49           HG2      PRO  49   8.616  30.415  -8.943
  403    HG3  PRO  49           HG3      PRO  49   8.005  31.947  -9.651
  404    HD2  PRO  49           HD2      PRO  49  10.652  31.546  -9.009
  405    HD3  PRO  49           HD3      PRO  49   9.870  33.151  -8.887
  406    H    PHE  50           H        PHE  50   7.183  30.091  -5.260
  407    HA   PHE  50           HA       PHE  50   8.285  27.497  -5.822
  408    HB2  PHE  50           HB2      PHE  50   8.835  26.837  -3.531
  409    HB3  PHE  50           HB3      PHE  50   9.856  28.174  -4.013
  410    HD1  PHE  50           HD1      PHE  50   9.472  30.463  -3.074
  411    HD2  PHE  50           HD2      PHE  50   7.210  27.047  -1.721
  412    HE1  PHE  50           HE1      PHE  50   8.627  31.781  -1.151
  413    HE2  PHE  50           HE2      PHE  50   6.386  28.362   0.205
  414    HZ   PHE  50           HZ       PHE  50   7.060  30.740   0.481
  415    H    GLU  51           H        GLU  51   6.978  25.788  -4.532
  416    HA   GLU  51           HA       GLU  51   4.323  26.795  -3.652
  417    HB2  GLU  51           HB2      GLU  51   4.129  25.862  -5.947
  418    HB3  GLU  51           HB3      GLU  51   4.785  24.323  -5.376
  419    HG2  GLU  51           HG2      GLU  51   2.286  24.352  -5.599
  420    HG3  GLU  51           HG3      GLU  51   2.832  23.957  -3.971
  421    H    SER  52           H        SER  52   3.362  25.518  -1.958
  422    HA   SER  52           HA       SER  52   5.287  23.679  -0.555
  423    HB2  SER  52           HB2      SER  52   3.653  25.919   0.630
  424    HB3  SER  52           HB3      SER  52   4.271  24.559   1.586
  425    HG   SER  52           HG       SER  52   5.767  26.194   1.695
  426    H    VAL  53           H        VAL  53   4.418  21.717  -0.648
  427    HA   VAL  53           HA       VAL  53   1.476  21.293  -0.698
  428    HB   VAL  53           HB       VAL  53   3.812  19.365  -0.903
  429   HG11  VAL  53          HG11      VAL  53   0.810  18.830  -1.116
  430   HG12  VAL  53          HG12      VAL  53   2.073  17.677  -1.597
  431   HG13  VAL  53          HG13      VAL  53   1.927  18.154   0.094
  432   HG21  VAL  53          HG21      VAL  53   1.821  20.348  -2.999
  433   HG22  VAL  53          HG22      VAL  53   3.536  20.789  -2.906
  434   HG23  VAL  53          HG23      VAL  53   3.078  19.119  -3.257
  435    H    ASN  54           H        ASN  54   0.353  21.002   1.104
  436    HA   ASN  54           HA       ASN  54   1.540  20.510   3.703
  437    HB2  ASN  54           HB2      ASN  54  -0.475  21.842   3.513
  438    HB3  ASN  54           HB3      ASN  54  -1.331  20.506   2.730
  439   HD21  ASN  54          HD21      ASN  54  -2.776  19.611   4.163
  440   HD22  ASN  54          HD22      ASN  54  -2.468  19.316   5.863
  441    H    ILE  55           H        ILE  55   2.491  18.578   4.043
  442    HA   ILE  55           HA       ILE  55   1.337  16.056   2.917
  443    HB   ILE  55           HB       ILE  55   3.420  14.978   3.657
  444   HG12  ILE  55          HG12      ILE  55   4.528  17.689   4.374
  445   HG13  ILE  55          HG13      ILE  55   3.772  16.702   5.622
  446   HG21  ILE  55          HG21      ILE  55   4.870  16.017   2.035
  447   HG22  ILE  55          HG22      ILE  55   3.215  16.004   1.422
  448   HG23  ILE  55          HG23      ILE  55   3.924  17.511   2.046
  449   HD11  ILE  55          HD11      ILE  55   5.411  14.887   5.111
  450   HD12  ILE  55          HD12      ILE  55   6.203  15.978   3.944
  451   HD13  ILE  55          HD13      ILE  55   6.158  16.395   5.669
  452    H    LEU  56           H        LEU  56   1.905  14.119   4.652
  453    HA   LEU  56           HA       LEU  56   1.353  12.947   6.488
  454    HB2  LEU  56           HB2      LEU  56   1.608  15.691   7.802
  455    HB3  LEU  56           HB3      LEU  56   1.408  14.201   8.702
  456    HG   LEU  56           HG       LEU  56   3.713  14.680   6.775
  457   HD11  LEU  56          HD11      LEU  56   3.790  16.296   8.609
  458   HD12  LEU  56          HD12      LEU  56   3.630  14.980   9.797
  459   HD13  LEU  56          HD13      LEU  56   5.084  15.103   8.774
  460   HD21  LEU  56          HD21      LEU  56   3.259  12.537   8.896
  461   HD22  LEU  56          HD22      LEU  56   3.371  12.299   7.136
  462   HD23  LEU  56          HD23      LEU  56   4.792  12.816   8.038
  463    H    GLU  57           H        GLU  57  -0.874  15.369   5.606
  464    HA   GLU  57           HA       GLU  57  -2.973  14.946   7.352
  465    HB2  GLU  57           HB2      GLU  57  -2.513  16.623   5.316
  466    HB3  GLU  57           HB3      GLU  57  -3.523  15.483   4.438
  467    HG2  GLU  57           HG2      GLU  57  -4.914  17.264   5.241
  468    HG3  GLU  57           HG3      GLU  57  -5.324  15.837   6.183
  469    H    ASN  58           H        ASN  58  -1.955  12.682   4.908
  470    HA   ASN  58           HA       ASN  58  -3.908  10.734   5.745
  471    HB2  ASN  58           HB2      ASN  58  -4.976  10.312   3.584
  472    HB3  ASN  58           HB3      ASN  58  -5.299  11.947   4.128
  473   HD21  ASN  58          HD22      ASN  58  -5.472  13.195   2.278
  474   HD22  ASN  58          HD21      ASN  58  -4.315  13.139   0.957
  475    H    GLU  59           H        GLU  59  -3.575   8.589   4.518
  476    HA   GLU  59           HA       GLU  59  -0.826   7.908   4.786
  477    HB2  GLU  59           HB2      GLU  59  -3.152   6.365   3.555
  478    HB3  GLU  59           HB3      GLU  59  -1.548   5.675   3.816
  479    HG2  GLU  59           HG2      GLU  59  -3.408   6.725   5.980
  480    HG3  GLU  59           HG3      GLU  59  -3.026   5.038   5.635
  481    H    LEU  60           H        LEU  60  -2.613   8.714   1.802
  482    HA   LEU  60           HA       LEU  60  -0.574   7.821  -0.003
  483    HB2  LEU  60           HB2      LEU  60  -2.919   9.746  -0.134
  484    HB3  LEU  60           HB3      LEU  60  -1.767   9.734  -1.438
  485    HG   LEU  60           HG       LEU  60  -3.742   8.399  -1.922
  486   HD11  LEU  60          HD11      LEU  60  -1.605   7.850  -3.019
  487   HD12  LEU  60          HD12      LEU  60  -1.230   6.675  -1.744
  488   HD13  LEU  60          HD13      LEU  60  -2.615   6.416  -2.811
  489   HD21  LEU  60          HD21      LEU  60  -2.845   6.444   0.236
  490   HD22  LEU  60          HD22      LEU  60  -4.235   7.543   0.364
  491   HD23  LEU  60          HD23      LEU  60  -4.223   6.271  -0.867
  492    H    LEU  61           H        LEU  61  -1.012  10.888   1.748
  493    HA   LEU  61           HA       LEU  61   1.391  12.121   0.634
  494    HB2  LEU  61           HB2      LEU  61  -0.334  12.745   3.070
  495    HB3  LEU  61           HB3      LEU  61   1.004  13.753   2.523
  496    HG   LEU  61           HG       LEU  61  -1.374  13.126   0.728
  497   HD11  LEU  61          HD11      LEU  61  -0.967  15.477   2.624
  498   HD12  LEU  61          HD12      LEU  61  -2.255  15.343   1.405
  499   HD13  LEU  61          HD13      LEU  61  -2.194  14.211   2.763
  500   HD21  LEU  61          HD21      LEU  61  -0.639  15.149  -0.473
  501   HD22  LEU  61          HD22      LEU  61   0.731  15.333   0.642
  502   HD23  LEU  61          HD23      LEU  61   0.646  13.935  -0.449
  503    H    ARG  62           H        ARG  62   0.864   9.869   3.313
  504    HA   ARG  62           HA       ARG  62   3.551  10.360   4.436
  505    HB2  ARG  62           HB2      ARG  62   1.645   8.053   5.021
  506    HB3  ARG  62           HB3      ARG  62   3.143   8.458   5.862
  507    HG2  ARG  62           HG2      ARG  62   1.914  10.804   6.218
  508    HG3  ARG  62           HG3      ARG  62   0.468   9.815   5.993
  509    HD2  ARG  62           HD2      ARG  62   2.622   9.521   8.108
  510    HD3  ARG  62           HD3      ARG  62   0.925   9.935   8.351
  511    HE   ARG  62           HE       ARG  62   0.316   7.635   7.609
  512   HH11  ARG  62          HH11      ARG  62   3.531   8.063   9.081
  513   HH12  ARG  62          HH12      ARG  62   3.716   6.351   9.311
  514   HH21  ARG  62          HH21      ARG  62   0.716   5.535   7.721
  515   HH22  ARG  62          HH22      ARG  62   2.084   4.912   8.626
  516    H    GLN  63           H        GLN  63   2.003   7.688   2.604
  517    HA   GLN  63           HA       GLN  63   4.586   6.241   2.409
  518    HB2  GLN  63           HB2      GLN  63   1.755   5.469   1.551
  519    HB3  GLN  63           HB3      GLN  63   3.172   4.419   1.587
  520    HG2  GLN  63           HG2      GLN  63   3.298   4.760   4.094
  521    HG3  GLN  63           HG3      GLN  63   1.800   5.688   4.003
  522   HE21  GLN  63          HE22      GLN  63   0.319   4.270   5.113
  523   HE22  GLN  63          HE21      GLN  63   0.075   2.620   4.559
  524    H    GLY  64           H        GLY  64   2.114   7.643   0.177
  525    HA2  GLY  64           HA2      GLY  64   3.281   6.594  -2.216
  526    HA3  GLY  64           HA3      GLY  64   2.096   7.921  -2.101
  527    H    LEU  65           H        LEU  65   3.441   9.874  -0.770
  528    HA   LEU  65           HA       LEU  65   5.323  10.988  -2.612
  529    HB2  LEU  65           HB2      LEU  65   4.021  12.338  -1.029
  530    HB3  LEU  65           HB3      LEU  65   4.814  11.545   0.335
  531    HG   LEU  65           HG       LEU  65   6.997  12.534  -0.338
  532   HD11  LEU  65          HD11      LEU  65   5.378  14.025  -2.443
  533   HD12  LEU  65          HD12      LEU  65   7.055  14.380  -1.986
  534   HD13  LEU  65          HD13      LEU  65   6.666  12.842  -2.762
  535   HD21  LEU  65          HD21      LEU  65   5.524  13.637   1.300
  536   HD22  LEU  65          HD22      LEU  65   6.467  14.810   0.368
  537   HD23  LEU  65          HD23      LEU  65   4.749  14.544  -0.018
  538    H    LYS  66           H        LYS  66   5.886   9.087   0.391
  539    HA   LYS  66           HA       LYS  66   8.724   9.427   0.393
  540    HB2  LYS  66           HB2      LYS  66   7.355   8.732   2.328
  541    HB3  LYS  66           HB3      LYS  66   7.039   7.164   1.564
  542    HG2  LYS  66           HG2      LYS  66   9.425   6.599   1.663
  543    HG3  LYS  66           HG3      LYS  66   9.820   8.235   2.216
  544    HD2  LYS  66           HD2      LYS  66   8.526   7.873   4.290
  545    HD3  LYS  66           HD3      LYS  66   8.111   6.224   3.754
  546    HE2  LYS  66           HE2      LYS  66  10.501   5.605   3.728
  547    HE3  LYS  66           HE3      LYS  66  10.961   7.264   4.139
  548    HZ1  LYS  66           HZ1      LYS  66   9.373   5.471   5.899
  549    HZ2  LYS  66           HZ2      LYS  66  10.956   5.816   6.091
  550    HZ3  LYS  66           HZ3      LYS  66   9.839   7.000   6.270
  551    H    GLU  67           H        GLU  67   6.700   6.869  -1.139
  552    HA   GLU  67           HA       GLU  67   9.005   5.521  -2.259
  553    HB2  GLU  67           HB2      GLU  67   6.774   4.482  -1.831
  554    HB3  GLU  67           HB3      GLU  67   6.122   5.375  -3.215
  555    HG2  GLU  67           HG2      GLU  67   7.602   4.222  -4.745
  556    HG3  GLU  67           HG3      GLU  67   8.572   3.558  -3.427
  557    H    TYR  68           H        TYR  68   6.894   8.163  -3.470
  558    HA   TYR  68           HA       TYR  68   7.927   8.274  -6.128
  559    HB2  TYR  68           HB2      TYR  68   5.838   9.321  -5.397
  560    HB3  TYR  68           HB3      TYR  68   6.715  10.420  -4.351
  561    HD1  TYR  68           HD2      TYR  68   5.877   9.599  -7.856
  562    HD2  TYR  68           HD1      TYR  68   7.858  12.396  -5.233
  563    HE1  TYR  68           HE2      TYR  68   5.949  11.269  -9.692
  564    HE2  TYR  68           HE1      TYR  68   7.924  14.068  -7.068
  565    HH   TYR  68           HH       TYR  68   6.616  13.367 -10.326
  566    H    SER  69           H        SER  69   8.990  10.124  -3.175
  567    HA   SER  69           HA       SER  69  11.214  11.285  -4.745
  568    HB2  SER  69           HB2      SER  69  11.562  12.740  -2.913
  569    HB3  SER  69           HB3      SER  69   9.813  12.645  -3.161
  570    HG   SER  69           HG       SER  69  10.550  12.545  -0.956
  571    H    SER  70           H        SER  70  10.895   8.730  -2.356
  572    HA   SER  70           HA       SER  70  12.344   7.155  -1.619
  573    HB2  SER  70           HB2      SER  70  13.468   7.523  -3.942
  574    HB3  SER  70           HB3      SER  70  14.723   8.368  -3.021
  575    HG   SER  70           HG       SER  70  15.173   6.124  -3.283
  576    H    TRP  71           H        TRP  71  12.628  10.444  -0.971
  577    HA   TRP  71           HA       TRP  71  14.823  10.535   0.857
  578    HB2  TRP  71           HB2      TRP  71  13.845  12.500  -0.227
  579    HB3  TRP  71           HB3      TRP  71  12.310  12.208   0.595
  580    HD1  TRP  71           HD1      TRP  71  11.949  13.347   2.815
  581    HE1  TRP  71           HE1      TRP  71  13.369  14.608   4.539
  582    HE3  TRP  71           HE3      TRP  71  16.582  12.593   0.771
  583    HZ2  TRP  71           HZ2      TRP  71  16.145  15.131   5.033
  584    HZ3  TRP  71           HZ3      TRP  71  18.607  13.441   1.922
  585    HH2  TRP  71           HH2      TRP  71  18.404  14.676   4.074
  586    HA   PRO  72           HA       PRO  72  12.991   8.083   4.013
  587    HB2  PRO  72           HB2      PRO  72  14.690   8.475   6.142
  588    HB3  PRO  72           HB3      PRO  72  15.121   7.577   4.658
  589    HG2  PRO  72           HG2      PRO  72  15.713  10.480   5.312
  590    HG3  PRO  72           HG3      PRO  72  16.843   9.233   4.703
  591    HD2  PRO  72           HD2      PRO  72  15.659  10.990   3.025
  592    HD3  PRO  72           HD3      PRO  72  15.884   9.283   2.544
  593    H    THR  73           H        THR  73  13.635  11.454   5.188
  594    HA   THR  73           HA       THR  73  11.167  11.310   6.866
  595    HB   THR  73           HB       THR  73  12.427  12.342   8.752
  596    HG1  THR  73           HG1      THR  73  14.178  12.933   7.354
  597   HG21  THR  73          HG21      THR  73  13.496   9.587   8.003
  598   HG22  THR  73          HG22      THR  73  13.400  10.301   9.625
  599   HG23  THR  73          HG23      THR  73  11.915   9.900   8.752
  600    H    PHE  74           H        PHE  74   9.969  12.857   6.044
  601    HA   PHE  74           HA       PHE  74  10.820  15.264   4.826
  602    HB2  PHE  74           HB2      PHE  74   8.179  14.724   6.222
  603    HB3  PHE  74           HB3      PHE  74   8.460  15.827   4.882
  604    HD1  PHE  74           HD2      PHE  74   9.731  14.507   2.775
  605    HD2  PHE  74           HD1      PHE  74   6.957  12.829   5.620
  606    HE1  PHE  74           HE2      PHE  74   9.106  12.753   1.134
  607    HE2  PHE  74           HE1      PHE  74   6.316  11.094   3.967
  608    HZ   PHE  74           HZ       PHE  74   7.388  11.056   1.726
  609    HA   PRO  75           HA       PRO  75   9.289  17.757   4.972
  610    HB2  PRO  75           HB2      PRO  75  11.239  19.922   5.727
  611    HB3  PRO  75           HB3      PRO  75   9.553  20.083   5.160
  612    HG2  PRO  75           HG2      PRO  75  10.072  20.359   7.777
  613    HG3  PRO  75           HG3      PRO  75   8.705  19.295   7.283
  614    HD2  PRO  75           HD2      PRO  75  11.542  18.475   7.982
  615    HD3  PRO  75           HD3      PRO  75  10.006  17.841   8.627
  616    H    GLN  76           H        GLN  76  10.172  18.721   2.910
  617    HA   GLN  76           HA       GLN  76  13.004  18.527   2.374
  618    HB2  GLN  76           HB2      GLN  76  13.044  16.829   0.706
  619    HB3  GLN  76           HB3      GLN  76  12.339  16.109   2.132
  620    HG2  GLN  76           HG2      GLN  76  10.146  16.063   1.182
  621    HG3  GLN  76           HG3      GLN  76  10.560  17.218  -0.084
  622   HE21  GLN  76          HE22      GLN  76  12.436  16.501  -1.633
  623   HE22  GLN  76          HE21      GLN  76  12.314  14.804  -2.102
  624    H    LEU  77           H        LEU  77  13.598  19.077   0.162
  625    HA   LEU  77           HA       LEU  77  11.606  20.737  -1.310
  626    HB2  LEU  77           HB2      LEU  77  13.579  21.859  -0.283
  627    HB3  LEU  77           HB3      LEU  77  14.666  20.912  -1.258
  628    HG   LEU  77           HG       LEU  77  12.548  22.716  -2.528
  629   HD11  LEU  77          HD11      LEU  77  15.330  23.522  -1.632
  630   HD12  LEU  77          HD12      LEU  77  14.222  24.509  -2.600
  631   HD13  LEU  77          HD13      LEU  77  13.791  24.088  -0.934
  632   HD21  LEU  77          HD21      LEU  77  13.888  21.195  -4.098
  633   HD22  LEU  77          HD22      LEU  77  14.144  22.914  -4.378
  634   HD23  LEU  77          HD23      LEU  77  15.356  21.974  -3.499
  635    H    TYR  78           H        TYR  78  11.462  20.462  -3.517
  636    HA   TYR  78           HA       TYR  78  12.818  18.209  -4.887
  637    HB2  TYR  78           HB2      TYR  78  10.463  17.728  -3.764
  638    HB3  TYR  78           HB3      TYR  78   9.831  18.648  -5.117
  639    HD1  TYR  78           HD1      TYR  78  10.686  17.794  -7.529
  640    HD2  TYR  78           HD2      TYR  78  10.540  15.424  -3.937
  641    HE1  TYR  78           HE1      TYR  78  10.839  15.742  -8.896
  642    HE2  TYR  78           HE2      TYR  78  10.591  13.357  -5.326
  643    HH   TYR  78           HH       TYR  78  10.871  13.431  -8.879
  644    H    ILE  79           H        ILE  79  13.037  18.568  -7.171
  645    HA   ILE  79           HA       ILE  79  11.951  21.090  -8.326
  646    HB   ILE  79           HB       ILE  79  14.236  21.301  -9.526
  647   HG12  ILE  79          HG12      ILE  79  15.250  19.730  -7.122
  648   HG13  ILE  79          HG13      ILE  79  15.220  19.158  -8.797
  649   HG21  ILE  79          HG21      ILE  79  14.014  21.996  -6.580
  650   HG22  ILE  79          HG22      ILE  79  15.015  22.829  -7.792
  651   HG23  ILE  79          HG23      ILE  79  13.258  22.877  -7.928
  652   HD11  ILE  79          HD11      ILE  79  17.444  19.934  -8.267
  653   HD12  ILE  79          HD12      ILE  79  16.729  21.071  -9.428
  654   HD13  ILE  79          HD13      ILE  79  16.837  21.500  -7.706
  655    H    ASP  80           H        ASP  80  12.438  21.107 -10.780
  656    HA   ASP  80           HA       ASP  80  10.647  19.317 -11.835
  657    HB2  ASP  80           HB2      ASP  80  11.442  21.527 -12.733
  658    HB3  ASP  80           HB3      ASP  80  12.843  20.705 -13.411
  659    H    GLY  81           H        GLY  81  10.822  17.181 -11.618
  660    HA2  GLY  81           HA2      GLY  81  11.309  15.055 -12.410
  661    HA3  GLY  81           HA3      GLY  81  12.678  15.708 -13.336
  662    H    GLU  82           H        GLU  82  12.988  16.654 -10.024
  663    HA   GLU  82           HA       GLU  82  14.402  14.208  -9.210
  664    HB2  GLU  82           HB2      GLU  82  15.933  15.454 -10.840
  665    HB3  GLU  82           HB3      GLU  82  15.982  16.767  -9.673
  666    HG2  GLU  82           HG2      GLU  82  17.956  15.438  -9.416
  667    HG3  GLU  82           HG3      GLU  82  16.962  15.175  -7.993
  668    H    PHE  83           H        PHE  83  14.669  14.020  -6.988
  669    HA   PHE  83           HA       PHE  83  13.459  16.121  -5.353
  670    HB2  PHE  83           HB2      PHE  83  13.289  14.576  -3.701
  671    HB3  PHE  83           HB3      PHE  83  13.241  13.513  -5.091
  672    HD1  PHE  83           HD1      PHE  83  15.318  12.203  -5.729
  673    HD2  PHE  83           HD2      PHE  83  15.074  14.520  -2.096
  674    HE1  PHE  83           HE1      PHE  83  17.354  11.071  -4.861
  675    HE2  PHE  83           HE2      PHE  83  17.121  13.428  -1.259
  676    HZ   PHE  83           HZ       PHE  83  18.269  11.702  -2.650
  677    H    PHE  84           H        PHE  84  14.566  17.315  -3.683
  678    HA   PHE  84           HA       PHE  84  17.478  17.656  -4.228
  679    HB2  PHE  84           HB2      PHE  84  15.808  19.561  -4.384
  680    HB3  PHE  84           HB3      PHE  84  15.652  19.462  -2.631
  681    HD1  PHE  84           HD2      PHE  84  17.618  20.014  -1.161
  682    HD2  PHE  84           HD1      PHE  84  17.787  20.419  -5.452
  683    HE1  PHE  84           HE2      PHE  84  19.735  21.294  -0.963
  684    HE2  PHE  84           HE1      PHE  84  19.879  21.742  -5.236
  685    HZ   PHE  84           HZ       PHE  84  20.859  22.171  -3.010
  686    H    GLY  85           H        GLY  85  15.225  17.281  -1.470
  687    HA2  GLY  85           HA2      GLY  85  15.875  15.631   0.302
  688    HA3  GLY  85           HA3      GLY  85  17.499  16.338   0.275
  689    H    GLY  86           H        GLY  86  17.156  16.639   2.568
  690    HA2  GLY  86           HA2      GLY  86  14.940  17.971   3.696
  691    HA3  GLY  86           HA3      GLY  86  16.484  17.690   4.507
  692    H    CYS  87           H        CYS  87  14.924  19.866   5.088
  693    HA   CYS  87           HA       CYS  87  15.617  22.239   3.656
  694    HB2  CYS  87           HB2      CYS  87  14.595  21.778   6.505
  695    HB3  CYS  87           HB3      CYS  87  14.737  23.376   5.738
  696    HG   CYS  87           HG       CYS  87  12.206  22.467   5.684
  697    H    ASP  88           H        ASP  88  17.187  20.721   6.501
  698    HA   ASP  88           HA       ASP  88  19.193  22.704   6.919
  699    HB2  ASP  88           HB2      ASP  88  18.760  20.898   8.499
  700    HB3  ASP  88           HB3      ASP  88  19.267  19.689   7.314
  701    H    ILE  89           H        ILE  89  19.254  19.803   4.793
  702    HA   ILE  89           HA       ILE  89  21.816  20.310   3.582
  703    HB   ILE  89           HB       ILE  89  19.364  18.886   2.453
  704   HG12  ILE  89          HG12      ILE  89  21.893  17.853   3.827
  705   HG13  ILE  89          HG13      ILE  89  20.273  17.878   4.524
  706   HG21  ILE  89          HG21      ILE  89  20.899  17.864   0.803
  707   HG22  ILE  89          HG22      ILE  89  20.847  19.602   0.605
  708   HG23  ILE  89          HG23      ILE  89  22.239  18.851   1.430
  709   HD11  ILE  89          HD11      ILE  89  20.670  15.650   3.833
  710   HD12  ILE  89          HD12      ILE  89  19.520  16.337   2.662
  711   HD13  ILE  89          HD13      ILE  89  21.238  16.139   2.232
  712    H    THR  90           H        THR  90  18.580  21.516   2.741
  713    HA   THR  90           HA       THR  90  19.337  23.000   0.398
  714    HB   THR  90           HB       THR  90  17.044  23.536   2.322
  715    HG1  THR  90           HG1      THR  90  16.969  21.434   1.451
  716   HG21  THR  90          HG21      THR  90  15.979  24.524   0.331
  717   HG22  THR  90          HG22      THR  90  17.419  25.441   0.790
  718   HG23  THR  90          HG23      THR  90  17.475  24.311  -0.586
  719    H    VAL  91           H        VAL  91  19.142  24.048   3.837
  720    HA   VAL  91           HA       VAL  91  20.043  26.718   3.369
  721    HB   VAL  91           HB       VAL  91  20.339  24.950   5.824
  722   HG11  VAL  91          HG11      VAL  91  20.802  27.059   7.093
  723   HG12  VAL  91          HG12      VAL  91  22.108  26.649   5.985
  724   HG13  VAL  91          HG13      VAL  91  20.954  27.931   5.551
  725   HG21  VAL  91          HG21      VAL  91  18.012  25.614   5.178
  726   HG22  VAL  91          HG22      VAL  91  18.505  26.316   6.718
  727   HG23  VAL  91          HG23      VAL  91  18.500  27.318   5.248
  728    H    GLU  92           H        GLU  92  21.993  23.738   4.084
  729    HA   GLU  92           HA       GLU  92  24.523  25.100   3.980
  730    HB2  GLU  92           HB2      GLU  92  23.814  22.162   3.576
  731    HB3  GLU  92           HB3      GLU  92  25.457  22.788   3.724
  732    HG2  GLU  92           HG2      GLU  92  23.310  22.930   5.877
  733    HG3  GLU  92           HG3      GLU  92  24.667  21.819   5.829
  734    H    ALA  93           H        ALA  93  22.623  23.429   1.425
  735    HA   ALA  93           HA       ALA  93  24.574  23.644  -0.643
  736    HB1  ALA  93           HB1      ALA  93  21.523  23.507  -0.736
  737    HB2  ALA  93           HB2      ALA  93  22.614  23.235  -2.108
  738    HB3  ALA  93           HB3      ALA  93  22.640  22.126  -0.727
  739    H    TYR  94           H        TYR  94  21.937  25.914   0.334
  740    HA   TYR  94           HA       TYR  94  22.462  27.868  -1.698
  741    HB2  TYR  94           HB2      TYR  94  20.399  27.723  -0.340
  742    HB3  TYR  94           HB3      TYR  94  21.304  28.180   1.094
  743    HD1  TYR  94           HD2      TYR  94  20.557  29.385  -2.399
  744    HD2  TYR  94           HD1      TYR  94  21.381  30.466   1.692
  745    HE1  TYR  94           HE2      TYR  94  20.061  31.760  -2.933
  746    HE2  TYR  94           HE1      TYR  94  20.896  32.849   1.160
  747    HH   TYR  94           HH       TYR  94  19.923  33.907  -2.125
  748    H    LYS  95           H        LYS  95  23.799  27.472   1.595
  749    HA   LYS  95           HA       LYS  95  25.525  29.784   1.539
  750    HB2  LYS  95           HB2      LYS  95  24.775  28.518   3.551
  751    HB3  LYS  95           HB3      LYS  95  25.736  27.131   3.029
  752    HG2  LYS  95           HG2      LYS  95  27.811  28.503   3.260
  753    HG3  LYS  95           HG3      LYS  95  26.833  29.899   3.720
  754    HD2  LYS  95           HD2      LYS  95  27.803  28.870   5.703
  755    HD3  LYS  95           HD3      LYS  95  26.035  28.678   5.736
  756    HE2  LYS  95           HE2      LYS  95  26.244  26.360   4.914
  757    HE3  LYS  95           HE3      LYS  95  27.999  26.536   4.768
  758    HZ1  LYS  95           HZ1      LYS  95  28.145  26.708   7.157
  759    HZ2  LYS  95           HZ2      LYS  95  26.508  26.733   7.326
  760    HZ3  LYS  95           HZ3      LYS  95  27.226  25.379   6.787
  761    H    SER  96           H        SER  96  25.891  26.489   0.287
  762    HA   SER  96           HA       SER  96  28.722  26.838  -0.428
  763    HB2  SER  96           HB2      SER  96  26.766  24.608  -1.100
  764    HB3  SER  96           HB3      SER  96  28.529  24.561  -1.256
  765    HG   SER  96           HG       SER  96  26.937  24.671   1.103
  766    H    GLY  97           H        GLY  97  25.769  27.649  -2.050
  767    HA2  GLY  97           HA2      GLY  97  25.640  28.811  -4.104
  768    HA3  GLY  97           HA3      GLY  97  27.211  28.155  -4.605
  769    H    GLU  98           H        GLU  98  25.461  25.624  -3.370
  770    HA   GLU  98           HA       GLU  98  25.252  24.418  -6.027
  771    HB2  GLU  98           HB2      GLU  98  24.595  23.282  -3.280
  772    HB3  GLU  98           HB3      GLU  98  24.706  22.372  -4.790
  773    HG2  GLU  98           HG2      GLU  98  27.116  23.117  -4.979
  774    HG3  GLU  98           HG3      GLU  98  26.971  23.842  -3.373
  775    H    LEU  99           H        LEU  99  22.942  25.546  -3.513
  776    HA   LEU  99           HA       LEU  99  20.605  24.494  -4.854
  777    HB2  LEU  99           HB2      LEU  99  20.649  25.243  -2.443
  778    HB3  LEU  99           HB3      LEU  99  20.824  26.909  -3.004
  779    HG   LEU  99           HG       LEU  99  18.600  26.670  -4.204
  780   HD11  LEU  99          HD11      LEU  99  18.443  24.222  -4.433
  781   HD12  LEU  99          HD12      LEU  99  18.449  24.038  -2.671
  782   HD13  LEU  99          HD13      LEU  99  17.085  24.828  -3.486
  783   HD21  LEU  99          HD21      LEU  99  18.670  26.259  -1.200
  784   HD22  LEU  99          HD22      LEU  99  18.704  27.793  -2.085
  785   HD23  LEU  99          HD23      LEU  99  17.243  26.799  -2.115
  786    H    GLN 100           H        GLN 100  22.310  27.638  -5.045
  787    HA   GLN 100           HA       GLN 100  20.605  28.956  -6.891
  788    HB2  GLN 100           HB2      GLN 100  23.658  29.112  -6.659
  789    HB3  GLN 100           HB3      GLN 100  22.635  30.212  -7.562
  790    HG2  GLN 100           HG2      GLN 100  23.019  31.431  -5.674
  791    HG3  GLN 100           HG3      GLN 100  21.462  30.720  -5.293
  792   HE21  GLN 100          HE22      GLN 100  23.620  31.778  -3.441
  793   HE22  GLN 100          HE21      GLN 100  23.950  30.390  -2.402
  794    H    GLU 101           H        GLU 101  23.459  26.845  -7.586
  795    HA   GLU 101           HA       GLU 101  23.169  26.880 -10.399
  796    HB2  GLU 101           HB2      GLU 101  25.179  26.153  -9.145
  797    HB3  GLU 101           HB3      GLU 101  24.329  24.684  -8.638
  798    HG2  GLU 101           HG2      GLU 101  24.141  23.950 -10.978
  799    HG3  GLU 101           HG3      GLU 101  24.835  25.477 -11.545
  800    H    GLN 102           H        GLN 102  21.846  24.464  -8.033
  801    HA   GLN 102           HA       GLN 102  20.565  22.913 -10.080
  802    HB2  GLN 102           HB2      GLN 102  20.224  23.090  -7.060
  803    HB3  GLN 102           HB3      GLN 102  19.342  21.925  -8.047
  804    HG2  GLN 102           HG2      GLN 102  22.391  22.073  -7.931
  805    HG3  GLN 102           HG3      GLN 102  21.406  20.981  -6.978
  806   HE21  GLN 102          HE22      GLN 102  20.223  19.222  -8.087
  807   HE22  GLN 102          HE21      GLN 102  20.715  18.758  -9.706
  808    H    VAL 103           H        VAL 103  19.274  25.599  -8.049
  809    HA   VAL 103           HA       VAL 103  16.574  25.302  -9.068
  810    HB   VAL 103           HB       VAL 103  17.983  27.613  -7.715
  811   HG11  VAL 103          HG11      VAL 103  16.186  28.621  -9.036
  812   HG12  VAL 103          HG12      VAL 103  15.037  27.374  -8.490
  813   HG13  VAL 103          HG13      VAL 103  15.688  28.571  -7.348
  814   HG21  VAL 103          HG21      VAL 103  17.524  25.536  -6.346
  815   HG22  VAL 103          HG22      VAL 103  16.555  26.906  -5.786
  816   HG23  VAL 103          HG23      VAL 103  15.827  25.636  -6.788
  817    H    GLU 104           H        GLU 104  19.422  27.267 -10.161
  818    HA   GLU 104           HA       GLU 104  18.102  28.487 -12.364
  819    HB2  GLU 104           HB2      GLU 104  20.401  29.042 -11.501
  820    HB3  GLU 104           HB3      GLU 104  20.990  27.541 -12.216
  821    HG2  GLU 104           HG2      GLU 104  21.538  29.274 -13.725
  822    HG3  GLU 104           HG3      GLU 104  20.207  28.405 -14.473
  823    H    LYS 105           H        LYS 105  19.815  25.296 -12.120
  824    HA   LYS 105           HA       LYS 105  19.214  24.410 -14.745
  825    HB2  LYS 105           HB2      LYS 105  20.878  23.327 -13.311
  826    HB3  LYS 105           HB3      LYS 105  19.632  22.842 -12.171
  827    HG2  LYS 105           HG2      LYS 105  20.305  20.947 -13.509
  828    HG3  LYS 105           HG3      LYS 105  18.619  21.343 -13.822
  829    HD2  LYS 105           HD2      LYS 105  19.292  22.489 -15.946
  830    HD3  LYS 105           HD3      LYS 105  20.984  22.158 -15.562
  831    HE2  LYS 105           HE2      LYS 105  20.280  20.547 -17.193
  832    HE3  LYS 105           HE3      LYS 105  20.498  19.700 -15.661
  833    HZ1  LYS 105           HZ1      LYS 105  18.062  19.765 -15.372
  834    HZ2  LYS 105           HZ2      LYS 105  17.863  20.542 -16.808
  835    HZ3  LYS 105           HZ3      LYS 105  18.453  19.024 -16.773
  836    H    ALA 106           H        ALA 106  17.192  24.118 -11.770
  837    HA   ALA 106           HA       ALA 106  15.054  22.668 -12.973
  838    HB1  ALA 106           HB1      ALA 106  15.401  23.061 -10.519
  839    HB2  ALA 106           HB2      ALA 106  14.876  24.746 -10.735
  840    HB3  ALA 106           HB3      ALA 106  13.745  23.429 -11.062
  841    H    MET 107           H        MET 107  15.558  26.228 -12.772
  842    HA   MET 107           HA       MET 107  13.167  26.994 -14.162
  843    HB2  MET 107           HB2      MET 107  15.859  28.375 -13.805
  844    HB3  MET 107           HB3      MET 107  14.465  29.140 -14.572
  845    HG2  MET 107           HG2      MET 107  14.449  28.026 -11.735
  846    HG3  MET 107           HG3      MET 107  14.779  29.701 -12.144
  847    HE1  MET 107           HE1      MET 107  12.619  28.622 -10.074
  848    HE2  MET 107           HE2      MET 107  12.924  30.349 -10.357
  849    HE3  MET 107           HE3      MET 107  11.261  29.714 -10.399
  850    H    CYS 108           H        CYS 108  16.452  26.240 -15.399
  851    HA   CYS 108           HA       CYS 108  15.817  26.661 -18.188
  852    HB2  CYS 108           HB2      CYS 108  17.910  24.869 -16.863
  853    HB3  CYS 108           HB3      CYS 108  17.857  25.301 -18.576
  854    HG   CYS 108           HG       CYS 108  18.194  27.270 -15.919
  855    H    SER 109           H        SER 109  15.541  23.846 -16.077
  856    HA   SER 109           HA       SER 109  14.487  21.844 -16.163
  857    HB2  SER 109           HB2      SER 109  12.863  23.060 -18.426
  858    HB3  SER 109           HB3      SER 109  12.514  21.523 -17.607
  859    HG   SER 109           HG       SER 109  12.994  23.579 -15.853
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  -8.254   2.659  -4.019
    2    H2   MET   1           H2       MET   1  -7.029   1.574  -4.063
    3    H3   MET   1           H3       MET   1  -7.980   1.687  -2.737
    4    HA   MET   1           HA       MET   1  -7.207   3.908  -2.255
    5    HB2  MET   1           HB2      MET   1  -6.036   1.869  -1.301
    6    HB3  MET   1           HB3      MET   1  -4.848   1.998  -2.600
    7    HG2  MET   1           HG2      MET   1  -4.253   4.291  -1.758
    8    HG3  MET   1           HG3      MET   1  -5.420   4.084  -0.450
    9    HE1  MET   1           HE1      MET   1  -3.533   4.697   1.337
   10    HE2  MET   1           HE2      MET   1  -1.929   3.926   1.359
   11    HE3  MET   1           HE3      MET   1  -2.396   4.952  -0.011
   12    H    ALA   2           H        ALA   2  -6.066   5.787  -2.864
   13    HA   ALA   2           HA       ALA   2  -5.685   6.220  -5.668
   14    HB1  ALA   2           HB1      ALA   2  -4.890   7.898  -3.241
   15    HB2  ALA   2           HB2      ALA   2  -5.020   8.488  -4.907
   16    HB3  ALA   2           HB3      ALA   2  -6.468   7.920  -4.061
   17    H    LEU   3           H        LEU   3  -3.352   5.243  -3.216
   18    HA   LEU   3           HA       LEU   3  -0.971   6.152  -4.530
   19    HB2  LEU   3           HB2      LEU   3  -1.403   5.561  -2.077
   20    HB3  LEU   3           HB3      LEU   3  -1.158   3.880  -2.528
   21    HG   LEU   3           HG       LEU   3   0.837   6.182  -2.782
   22   HD11  LEU   3          HD11      LEU   3   2.035   4.960  -0.967
   23   HD12  LEU   3          HD12      LEU   3   0.417   5.477  -0.472
   24   HD13  LEU   3          HD13      LEU   3   0.711   3.778  -0.907
   25   HD21  LEU   3          HD21      LEU   3   2.556   4.455  -3.275
   26   HD22  LEU   3          HD22      LEU   3   1.266   3.243  -3.448
   27   HD23  LEU   3          HD23      LEU   3   1.377   4.627  -4.569
   28    H    THR   4           H        THR   4  -1.065   5.606  -6.572
   29    HA   THR   4           HA       THR   4   0.472   4.409  -7.989
   30    HB   THR   4           HB       THR   4  -0.126   2.139  -8.839
   31    HG1  THR   4           HG1      THR   4  -1.381   2.013  -6.330
   32   HG21  THR   4          HG21      THR   4   1.028   2.499  -6.046
   33   HG22  THR   4          HG22      THR   4   1.155   1.014  -7.015
   34   HG23  THR   4          HG23      THR   4   1.884   2.516  -7.598
   35    HA   PRO   5           HA       PRO   5  -3.060   4.530 -11.055
   36    HB2  PRO   5           HB2      PRO   5  -5.681   4.846 -10.359
   37    HB3  PRO   5           HB3      PRO   5  -4.871   3.248 -10.421
   38    HG2  PRO   5           HG2      PRO   5  -5.318   5.015  -7.987
   39    HG3  PRO   5           HG3      PRO   5  -5.704   3.274  -8.177
   40    HD2  PRO   5           HD2      PRO   5  -3.402   4.049  -6.999
   41    HD3  PRO   5           HD3      PRO   5  -3.445   2.657  -8.116
   42    H    ALA   6           H        ALA   6  -3.651   6.612  -8.166
   43    HA   ALA   6           HA       ALA   6  -4.149   8.944 -10.008
   44    HB1  ALA   6           HB1      ALA   6  -5.713   9.707  -8.274
   45    HB2  ALA   6           HB2      ALA   6  -6.148   8.094  -8.856
   46    HB3  ALA   6           HB3      ALA   6  -5.345   8.279  -7.282
   47    H    LEU   7           H        LEU   7  -2.812   8.174  -6.728
   48    HA   LEU   7           HA       LEU   7  -1.999  10.861  -6.261
   49    HB2  LEU   7           HB2      LEU   7  -2.389   9.128  -4.494
   50    HB3  LEU   7           HB3      LEU   7  -0.927   8.288  -5.027
   51    HG   LEU   7           HG       LEU   7   0.414  10.351  -4.436
   52   HD11  LEU   7          HD11      LEU   7  -2.222  11.284  -3.204
   53   HD12  LEU   7          HD12      LEU   7  -0.629  12.019  -2.931
   54   HD13  LEU   7          HD13      LEU   7  -1.351  12.078  -4.539
   55   HD21  LEU   7          HD21      LEU   7   0.273   8.444  -2.928
   56   HD22  LEU   7          HD22      LEU   7   0.311   9.958  -2.014
   57   HD23  LEU   7          HD23      LEU   7  -1.223   9.073  -2.214
   58    H    LYS   8           H        LYS   8   0.035   8.055  -7.312
   59    HA   LYS   8           HA       LYS   8   2.436   9.635  -7.514
   60    HB2  LYS   8           HB2      LYS   8   1.668   6.986  -8.819
   61    HB3  LYS   8           HB3      LYS   8   3.290   7.697  -8.833
   62    HG2  LYS   8           HG2      LYS   8   3.297   7.678  -6.314
   63    HG3  LYS   8           HG3      LYS   8   1.729   6.888  -6.329
   64    HD2  LYS   8           HD2      LYS   8   3.369   5.197  -5.973
   65    HD3  LYS   8           HD3      LYS   8   2.744   4.973  -7.615
   66    HE2  LYS   8           HE2      LYS   8   4.757   6.106  -8.542
   67    HE3  LYS   8           HE3      LYS   8   5.349   6.405  -6.896
   68    HZ1  LYS   8           HZ1      LYS   8   5.466   3.991  -6.561
   69    HZ2  LYS   8           HZ2      LYS   8   4.941   3.715  -8.094
   70    HZ3  LYS   8           HZ3      LYS   8   6.387   4.438  -7.846
   71    H    THR   9           H        THR   9  -0.099   8.901  -9.908
   72    HA   THR   9           HA       THR   9   0.859  10.252 -12.171
   73    HB   THR   9           HB       THR   9  -2.006  10.193 -11.323
   74    HG1  THR   9           HG1      THR   9  -2.069   8.032 -11.910
   75   HG21  THR   9          HG21      THR   9  -0.583   9.695 -13.960
   76   HG22  THR   9          HG22      THR   9  -2.346   9.678 -13.712
   77   HG23  THR   9          HG23      THR   9  -1.436  11.193 -13.509
   78    H    THR  10           H        THR  10  -1.027  11.519  -9.402
   79    HA   THR  10           HA       THR  10  -1.166  14.254 -10.340
   80    HB   THR  10           HB       THR  10  -1.419  13.150  -7.505
   81    HG1  THR  10           HG1      THR  10  -2.926  12.232  -8.857
   82   HG21  THR  10          HG21      THR  10  -2.353  15.777  -8.757
   83   HG22  THR  10          HG22      THR  10  -2.814  15.185  -7.146
   84   HG23  THR  10          HG23      THR  10  -1.128  15.597  -7.482
   85    H    LEU  11           H        LEU  11   1.053  12.586  -8.064
   86    HA   LEU  11           HA       LEU  11   2.701  14.834  -7.492
   87    HB2  LEU  11           HB2      LEU  11   3.300  11.850  -7.561
   88    HB3  LEU  11           HB3      LEU  11   4.445  13.051  -6.985
   89    HG   LEU  11           HG       LEU  11   1.691  12.625  -5.743
   90   HD11  LEU  11          HD11      LEU  11   3.127  10.642  -5.444
   91   HD12  LEU  11          HD12      LEU  11   4.439  11.673  -4.837
   92   HD13  LEU  11          HD13      LEU  11   2.926  11.514  -3.915
   93   HD21  LEU  11          HD21      LEU  11   2.482  14.896  -5.314
   94   HD22  LEU  11          HD22      LEU  11   2.677  13.935  -3.850
   95   HD23  LEU  11          HD23      LEU  11   4.093  14.283  -4.868
   96    H    ASP  12           H        ASP  12   2.983  12.479 -10.222
   97    HA   ASP  12           HA       ASP  12   5.274  13.701 -11.393
   98    HB2  ASP  12           HB2      ASP  12   4.392  11.492 -12.028
   99    HB3  ASP  12           HB3      ASP  12   2.961  12.246 -12.730
  100    H    LYS  13           H        LYS  13   1.779  14.436 -11.945
  101    HA   LYS  13           HA       LYS  13   2.224  16.629 -13.750
  102    HB2  LYS  13           HB2      LYS  13  -0.074  15.950 -11.862
  103    HB3  LYS  13           HB3      LYS  13  -0.096  17.331 -12.962
  104    HG2  LYS  13           HG2      LYS  13   0.174  15.877 -14.907
  105    HG3  LYS  13           HG3      LYS  13   0.299  14.448 -13.873
  106    HD2  LYS  13           HD2      LYS  13  -2.007  14.849 -13.031
  107    HD3  LYS  13           HD3      LYS  13  -2.127  16.281 -14.074
  108    HE2  LYS  13           HE2      LYS  13  -1.734  14.832 -16.074
  109    HE3  LYS  13           HE3      LYS  13  -1.672  13.408 -15.024
  110    HZ1  LYS  13           HZ1      LYS  13  -3.874  13.707 -16.006
  111    HZ2  LYS  13           HZ2      LYS  13  -3.983  13.877 -14.381
  112    HZ3  LYS  13           HZ3      LYS  13  -4.030  15.196 -15.356
  113    H    VAL  14           H        VAL  14   1.957  16.613 -10.178
  114    HA   VAL  14           HA       VAL  14   2.435  19.387  -9.786
  115    HB   VAL  14           HB       VAL  14   2.909  17.014  -8.067
  116   HG11  VAL  14          HG11      VAL  14   3.508  19.882  -7.268
  117   HG12  VAL  14          HG12      VAL  14   3.316  18.544  -6.121
  118   HG13  VAL  14          HG13      VAL  14   4.651  18.521  -7.277
  119   HG21  VAL  14          HG21      VAL  14   1.010  19.374  -7.806
  120   HG22  VAL  14          HG22      VAL  14   0.579  17.790  -8.473
  121   HG23  VAL  14          HG23      VAL  14   1.045  17.924  -6.775
  122    H    VAL  15           H        VAL  15   4.861  16.705  -9.799
  123    HA   VAL  15           HA       VAL  15   7.185  18.197  -9.496
  124    HB   VAL  15           HB       VAL  15   6.525  15.609 -10.784
  125   HG11  VAL  15          HG11      VAL  15   8.324  16.230 -12.253
  126   HG12  VAL  15          HG12      VAL  15   9.310  16.800 -10.893
  127   HG13  VAL  15          HG13      VAL  15   8.943  15.068 -11.087
  128   HG21  VAL  15          HG21      VAL  15   7.928  14.742  -8.934
  129   HG22  VAL  15          HG22      VAL  15   8.282  16.406  -8.428
  130   HG23  VAL  15          HG23      VAL  15   6.634  15.777  -8.320
  131    H    THR  16           H        THR  16   5.618  17.345 -12.609
  132    HA   THR  16           HA       THR  16   7.619  18.703 -14.195
  133    HB   THR  16           HB       THR  16   6.021  18.268 -16.091
  134    HG1  THR  16           HG1      THR  16   4.636  16.687 -14.211
  135   HG21  THR  16          HG21      THR  16   7.800  16.673 -15.501
  136   HG22  THR  16          HG22      THR  16   6.743  15.885 -14.313
  137   HG23  THR  16          HG23      THR  16   6.341  15.824 -16.044
  138    H    SER  17           H        SER  17   4.445  19.775 -13.015
  139    HA   SER  17           HA       SER  17   4.641  22.260 -14.597
  140    HB2  SER  17           HB2      SER  17   2.495  22.826 -13.598
  141    HB3  SER  17           HB3      SER  17   2.469  21.195 -14.280
  142    HG   SER  17           HG       SER  17   2.403  20.329 -12.299
  143    H    HIS  18           H        HIS  18   5.103  21.410 -11.129
  144    HA   HIS  18           HA       HIS  18   5.353  24.264 -10.387
  145    HB2  HIS  18           HB2      HIS  18   5.728  21.726  -8.727
  146    HB3  HIS  18           HB3      HIS  18   5.712  23.367  -8.125
  147    HD1  HIS  18           HD1      HIS  18   2.890  22.352 -10.569
  148    HD2  HIS  18           HD2      HIS  18   3.723  22.723  -6.462
  149    HE1  HIS  18           HE1      HIS  18   0.658  22.245  -9.379
  150    H    LYS  19           H        LYS  19   7.511  21.468 -10.744
  151    HA   LYS  19           HA       LYS  19   9.713  21.125 -10.859
  152    HB2  LYS  19           HB2      LYS  19   9.741  23.984 -11.909
  153    HB3  LYS  19           HB3      LYS  19  11.019  22.774 -12.104
  154    HG2  LYS  19           HG2      LYS  19   9.099  21.272 -13.123
  155    HG3  LYS  19           HG3      LYS  19   8.247  22.805 -13.323
  156    HD2  LYS  19           HD2      LYS  19  10.958  22.021 -14.460
  157    HD3  LYS  19           HD3      LYS  19   9.442  22.175 -15.361
  158    HE2  LYS  19           HE2      LYS  19   9.407  24.633 -14.822
  159    HE3  LYS  19           HE3      LYS  19  10.958  24.436 -13.977
  160    HZ1  LYS  19           HZ1      LYS  19  11.861  23.571 -16.111
  161    HZ2  LYS  19           HZ2      LYS  19  10.475  24.009 -16.872
  162    HZ3  LYS  19           HZ3      LYS  19  11.439  25.158 -16.186
  163    H    VAL  20           H        VAL  20   9.124  23.964  -8.873
  164    HA   VAL  20           HA       VAL  20  11.492  23.168  -7.185
  165    HB   VAL  20           HB       VAL  20  10.429  26.001  -7.621
  166   HG11  VAL  20          HG11      VAL  20  12.835  25.016  -6.022
  167   HG12  VAL  20          HG12      VAL  20  12.382  26.715  -6.296
  168   HG13  VAL  20          HG13      VAL  20  11.328  25.664  -5.345
  169   HG21  VAL  20          HG21      VAL  20  13.035  24.789  -8.623
  170   HG22  VAL  20          HG22      VAL  20  11.663  25.308  -9.619
  171   HG23  VAL  20          HG23      VAL  20  12.577  26.503  -8.705
  172    H    VAL  21           H        VAL  21  10.669  22.199  -5.377
  173    HA   VAL  21           HA       VAL  21   8.222  23.383  -4.148
  174    HB   VAL  21           HB       VAL  21   7.073  21.300  -3.927
  175   HG11  VAL  21          HG11      VAL  21   7.905  21.497  -6.850
  176   HG12  VAL  21          HG12      VAL  21   6.395  20.843  -6.194
  177   HG13  VAL  21          HG13      VAL  21   6.739  22.573  -6.061
  178   HG21  VAL  21          HG21      VAL  21   9.388  20.007  -5.362
  179   HG22  VAL  21          HG22      VAL  21   8.852  19.696  -3.692
  180   HG23  VAL  21          HG23      VAL  21   7.830  19.210  -5.045
  181    H    LEU  22           H        LEU  22   7.704  22.727  -2.042
  182    HA   LEU  22           HA       LEU  22   9.922  21.523  -0.426
  183    HB2  LEU  22           HB2      LEU  22   9.984  24.026  -0.508
  184    HB3  LEU  22           HB3      LEU  22   8.357  24.095   0.136
  185    HG   LEU  22           HG       LEU  22  10.199  24.630   1.701
  186   HD11  LEU  22          HD11      LEU  22   9.312  23.511   3.647
  187   HD12  LEU  22          HD12      LEU  22   7.982  23.898   2.538
  188   HD13  LEU  22          HD13      LEU  22   8.595  22.233   2.659
  189   HD21  LEU  22          HD21      LEU  22  10.825  21.653   1.716
  190   HD22  LEU  22          HD22      LEU  22  11.823  22.893   0.912
  191   HD23  LEU  22          HD23      LEU  22  11.603  22.911   2.680
  192    H    PHE  23           H        PHE  23   9.144  19.782   0.580
  193    HA   PHE  23           HA       PHE  23   6.253  19.398   1.070
  194    HB2  PHE  23           HB2      PHE  23   8.663  17.603   1.573
  195    HB3  PHE  23           HB3      PHE  23   6.983  17.125   1.737
  196    HD1  PHE  23           HD2      PHE  23   5.495  17.327  -0.435
  197    HD2  PHE  23           HD1      PHE  23   9.797  17.113  -0.417
  198    HE1  PHE  23           HE2      PHE  23   5.469  16.606  -2.810
  199    HE2  PHE  23           HE1      PHE  23   9.764  16.365  -2.777
  200    HZ   PHE  23           HZ       PHE  23   7.605  16.126  -3.988
  201    H    MET  24           H        MET  24   5.333  19.922   3.016
  202    HA   MET  24           HA       MET  24   6.661  19.330   5.529
  203    HB2  MET  24           HB2      MET  24   6.735  21.609   6.448
  204    HB3  MET  24           HB3      MET  24   7.791  21.466   5.055
  205    HG2  MET  24           HG2      MET  24   6.250  22.615   3.622
  206    HG3  MET  24           HG3      MET  24   4.974  22.611   4.835
  207    HE1  MET  24           HE1      MET  24   4.716  25.311   4.560
  208    HE2  MET  24           HE2      MET  24   6.184  26.315   4.338
  209    HE3  MET  24           HE3      MET  24   5.880  24.956   3.245
  210    H    LYS  25           H        LYS  25   5.379  20.122   7.446
  211    HA   LYS  25           HA       LYS  25   2.609  19.337   7.290
  212    HB2  LYS  25           HB2      LYS  25   4.371  20.660   9.394
  213    HB3  LYS  25           HB3      LYS  25   2.718  20.141   9.731
  214    HG2  LYS  25           HG2      LYS  25   3.219  17.905   9.733
  215    HG3  LYS  25           HG3      LYS  25   4.468  18.038   8.512
  216    HD2  LYS  25           HD2      LYS  25   5.420  17.394  10.695
  217    HD3  LYS  25           HD3      LYS  25   6.076  18.897  10.071
  218    HE2  LYS  25           HE2      LYS  25   5.758  19.205  12.400
  219    HE3  LYS  25           HE3      LYS  25   4.553  20.197  11.576
  220    HZ1  LYS  25           HZ1      LYS  25   2.895  18.460  12.079
  221    HZ2  LYS  25           HZ2      LYS  25   4.034  17.534  12.817
  222    HZ3  LYS  25           HZ3      LYS  25   3.606  18.967  13.457
  223    H    GLY  26           H        GLY  26   4.094  22.452   6.859
  224    HA2  GLY  26           HA2      GLY  26   1.696  24.058   7.483
  225    HA3  GLY  26           HA3      GLY  26   3.246  24.645   6.865
  226    H    THR  27           H        THR  27   1.946  26.009   5.527
  227    HA   THR  27           HA       THR  27   1.228  24.785   2.900
  228    HB   THR  27           HB       THR  27  -0.737  26.241   2.718
  229    HG1  THR  27           HG1      THR  27  -1.399  27.265   4.735
  230   HG21  THR  27          HG21      THR  27  -0.943  24.712   5.345
  231   HG22  THR  27          HG22      THR  27  -2.255  25.169   4.239
  232   HG23  THR  27          HG23      THR  27  -1.049  23.970   3.732
  233    H    LYS  28           H        LYS  28   0.739  26.916   1.380
  234    HA   LYS  28           HA       LYS  28   3.229  28.500   1.424
  235    HB2  LYS  28           HB2      LYS  28   2.017  27.498  -0.625
  236    HB3  LYS  28           HB3      LYS  28   0.865  28.829  -0.457
  237    HG2  LYS  28           HG2      LYS  28   2.748  30.459  -0.687
  238    HG3  LYS  28           HG3      LYS  28   3.892  29.102  -0.771
  239    HD2  LYS  28           HD2      LYS  28   2.675  28.292  -2.826
  240    HD3  LYS  28           HD3      LYS  28   1.691  29.769  -2.773
  241    HE2  LYS  28           HE2      LYS  28   3.780  31.138  -2.945
  242    HE3  LYS  28           HE3      LYS  28   4.741  29.651  -2.988
  243    HZ1  LYS  28           HZ1      LYS  28   4.396  30.384  -5.222
  244    HZ2  LYS  28           HZ2      LYS  28   3.489  29.032  -5.019
  245    HZ3  LYS  28           HZ3      LYS  28   2.770  30.507  -5.033
  246    H    ASP  29           H        ASP  29  -0.136  28.962   2.328
  247    HA   ASP  29           HA       ASP  29  -0.001  31.846   2.725
  248    HB2  ASP  29           HB2      ASP  29  -2.098  30.603   2.275
  249    HB3  ASP  29           HB3      ASP  29  -1.916  29.734   3.799
  250    H    PHE  30           H        PHE  30   0.533  28.965   4.766
  251    HA   PHE  30           HA       PHE  30   1.844  30.694   6.805
  252    HB2  PHE  30           HB2      PHE  30  -0.388  30.085   7.621
  253    HB3  PHE  30           HB3      PHE  30  -0.024  28.381   7.393
  254    HD1  PHE  30           HD1      PHE  30   1.118  31.475   9.198
  255    HD2  PHE  30           HD2      PHE  30   1.097  27.162   9.137
  256    HE1  PHE  30           HE1      PHE  30   2.169  31.434  11.453
  257    HE2  PHE  30           HE2      PHE  30   2.150  27.126  11.385
  258    HZ   PHE  30           HZ       PHE  30   2.690  29.263  12.546
  259    HA   PRO  31           HA       PRO  31   4.817  27.385   5.699
  260    HB2  PRO  31           HB2      PRO  31   7.102  28.879   5.720
  261    HB3  PRO  31           HB3      PRO  31   5.988  28.855   4.314
  262    HG2  PRO  31           HG2      PRO  31   6.107  30.896   6.556
  263    HG3  PRO  31           HG3      PRO  31   6.055  31.199   4.788
  264    HD2  PRO  31           HD2      PRO  31   3.825  31.281   6.362
  265    HD3  PRO  31           HD3      PRO  31   3.757  30.684   4.676
  266    H    GLN  32           H        GLN  32   6.485  26.434   7.100
  267    HA   GLN  32           HA       GLN  32   5.803  26.829   9.909
  268    HB2  GLN  32           HB2      GLN  32   7.802  24.934   8.609
  269    HB3  GLN  32           HB3      GLN  32   7.329  24.911  10.298
  270    HG2  GLN  32           HG2      GLN  32   5.400  24.483   7.954
  271    HG3  GLN  32           HG3      GLN  32   6.162  23.198   8.882
  272   HE21  GLN  32          HE22      GLN  32   5.712  23.235  11.370
  273   HE22  GLN  32          HE21      GLN  32   4.102  23.769  11.826
  274    H    CYS  33           H        CYS  33   6.777  28.067  11.317
  275    HA   CYS  33           HA       CYS  33   8.594  30.024  10.620
  276    HB2  CYS  33           HB2      CYS  33   7.882  28.969  13.395
  277    HB3  CYS  33           HB3      CYS  33   8.614  30.544  13.048
  278    HG   CYS  33           HG       CYS  33   6.061  30.885  13.590
  279    H    GLY  34           H        GLY  34  10.720  30.500  11.004
  280    HA2  GLY  34           HA2      GLY  34  12.988  30.163  11.484
  281    HA3  GLY  34           HA3      GLY  34  12.591  28.603  12.242
  282    H    PHE  35           H        PHE  35  12.711  26.756  11.041
  283    HA   PHE  35           HA       PHE  35  14.651  26.719   9.007
  284    HB2  PHE  35           HB2      PHE  35  13.997  24.240   8.874
  285    HB3  PHE  35           HB3      PHE  35  14.574  24.870  10.398
  286    HD1  PHE  35           HD1      PHE  35  13.110  25.105  12.363
  287    HD2  PHE  35           HD2      PHE  35  11.661  23.436   8.660
  288    HE1  PHE  35           HE1      PHE  35  11.095  24.261  13.532
  289    HE2  PHE  35           HE2      PHE  35   9.620  22.629   9.832
  290    HZ   PHE  35           HZ       PHE  35   9.339  23.034  12.270
  291    H    SER  36           H        SER  36  11.197  25.655   8.449
  292    HA   SER  36           HA       SER  36  11.642  25.538   5.627
  293    HB2  SER  36           HB2      SER  36   8.994  25.859   7.048
  294    HB3  SER  36           HB3      SER  36   9.258  25.313   5.378
  295    HG   SER  36           HG       SER  36   9.028  23.511   6.747
  296    H    GLN  37           H        GLN  37  10.233  28.142   7.666
  297    HA   GLN  37           HA       GLN  37   9.606  30.036   5.691
  298    HB2  GLN  37           HB2      GLN  37   9.148  30.231   8.121
  299    HB3  GLN  37           HB3      GLN  37  10.868  30.511   8.424
  300    HG2  GLN  37           HG2      GLN  37  10.751  32.593   7.051
  301    HG3  GLN  37           HG3      GLN  37   9.050  32.274   6.709
  302   HE21  GLN  37          HE22      GLN  37  11.373  33.074   9.363
  303   HE22  GLN  37          HE21      GLN  37  10.133  33.726  10.417
  304    H    THR  38           H        THR  38  12.839  29.498   7.227
  305    HA   THR  38           HA       THR  38  14.271  31.372   5.633
  306    HB   THR  38           HB       THR  38  15.262  28.835   6.997
  307    HG1  THR  38           HG1      THR  38  14.459  30.238   8.467
  308   HG21  THR  38          HG21      THR  38  16.935  29.537   5.383
  309   HG22  THR  38          HG22      THR  38  16.778  31.237   5.886
  310   HG23  THR  38          HG23      THR  38  17.467  30.028   6.991
  311    H    VAL  39           H        VAL  39  13.780  27.849   5.158
  312    HA   VAL  39           HA       VAL  39  15.188  27.660   2.707
  313    HB   VAL  39           HB       VAL  39  12.845  26.037   3.742
  314   HG11  VAL  39          HG11      VAL  39  12.678  25.726   1.366
  315   HG12  VAL  39          HG12      VAL  39  14.443  25.638   1.191
  316   HG13  VAL  39          HG13      VAL  39  13.558  24.322   1.988
  317   HG21  VAL  39          HG21      VAL  39  15.016  25.876   4.954
  318   HG22  VAL  39          HG22      VAL  39  14.565  24.355   4.175
  319   HG23  VAL  39          HG23      VAL  39  15.810  25.396   3.445
  320    H    VAL  40           H        VAL  40  11.611  28.371   3.087
  321    HA   VAL  40           HA       VAL  40  11.329  28.679   0.241
  322    HB   VAL  40           HB       VAL  40   9.165  29.545   0.631
  323   HG11  VAL  40          HG11      VAL  40   9.529  27.111   0.686
  324   HG12  VAL  40          HG12      VAL  40   9.681  27.171   2.456
  325   HG13  VAL  40          HG13      VAL  40   8.144  27.584   1.682
  326   HG21  VAL  40          HG21      VAL  40   9.407  30.971   2.589
  327   HG22  VAL  40          HG22      VAL  40   8.107  29.798   2.814
  328   HG23  VAL  40          HG23      VAL  40   9.669  29.536   3.599
  329    H    GLN  41           H        GLN  41  12.092  31.038   2.820
  330    HA   GLN  41           HA       GLN  41  11.928  33.399   1.192
  331    HB2  GLN  41           HB2      GLN  41  12.025  33.440   3.647
  332    HB3  GLN  41           HB3      GLN  41  13.614  32.680   3.628
  333    HG2  GLN  41           HG2      GLN  41  13.929  34.961   4.134
  334    HG3  GLN  41           HG3      GLN  41  14.573  34.712   2.520
  335   HE21  GLN  41          HE22      GLN  41  14.065  37.302   3.348
  336   HE22  GLN  41          HE21      GLN  41  12.640  37.915   2.532
  337    H    ILE  42           H        ILE  42  14.636  31.104   1.798
  338    HA   ILE  42           HA       ILE  42  16.602  32.404   0.187
  339    HB   ILE  42           HB       ILE  42  16.151  29.579   1.170
  340   HG12  ILE  42          HG12      ILE  42  18.409  31.588   1.587
  341   HG13  ILE  42          HG13      ILE  42  17.007  31.434   2.632
  342   HG21  ILE  42          HG21      ILE  42  18.406  30.364  -0.706
  343   HG22  ILE  42          HG22      ILE  42  18.318  28.844   0.220
  344   HG23  ILE  42          HG23      ILE  42  17.138  29.163  -1.029
  345   HD11  ILE  42          HD11      ILE  42  17.671  29.027   3.082
  346   HD12  ILE  42          HD12      ILE  42  19.190  29.356   2.215
  347   HD13  ILE  42          HD13      ILE  42  18.798  30.261   3.683
  348    H    LEU  43           H        LEU  43  14.282  29.848  -0.822
  349    HA   LEU  43           HA       LEU  43  15.096  29.823  -3.576
  350    HB2  LEU  43           HB2      LEU  43  12.438  29.169  -2.208
  351    HB3  LEU  43           HB3      LEU  43  12.747  28.857  -3.912
  352    HG   LEU  43           HG       LEU  43  14.382  27.623  -1.651
  353   HD11  LEU  43          HD11      LEU  43  13.052  25.573  -2.119
  354   HD12  LEU  43          HD12      LEU  43  12.031  26.896  -1.551
  355   HD13  LEU  43          HD13      LEU  43  12.068  26.479  -3.276
  356   HD21  LEU  43          HD21      LEU  43  14.244  27.043  -4.649
  357   HD22  LEU  43          HD22      LEU  43  15.633  27.704  -3.755
  358   HD23  LEU  43          HD23      LEU  43  15.112  26.052  -3.453
  359    H    LYS  44           H        LYS  44  12.359  31.562  -2.033
  360    HA   LYS  44           HA       LYS  44  11.453  32.975  -4.284
  361    HB2  LYS  44           HB2      LYS  44  10.315  32.841  -2.119
  362    HB3  LYS  44           HB3      LYS  44  11.538  33.885  -1.380
  363    HG2  LYS  44           HG2      LYS  44  10.857  35.774  -2.745
  364    HG3  LYS  44           HG3      LYS  44   9.899  34.745  -3.808
  365    HD2  LYS  44           HD2      LYS  44   8.439  36.018  -2.293
  366    HD3  LYS  44           HD3      LYS  44   8.291  34.281  -2.066
  367    HE2  LYS  44           HE2      LYS  44   8.264  35.261   0.111
  368    HE3  LYS  44           HE3      LYS  44   9.801  34.419  -0.066
  369    HZ1  LYS  44           HZ1      LYS  44  10.764  36.678  -0.640
  370    HZ2  LYS  44           HZ2      LYS  44   9.333  37.352  -0.210
  371    HZ3  LYS  44           HZ3      LYS  44  10.244  36.532   0.891
  372    H    SER  45           H        SER  45  13.899  34.070  -1.910
  373    HA   SER  45           HA       SER  45  14.505  36.554  -3.180
  374    HB2  SER  45           HB2      SER  45  16.264  34.998  -1.255
  375    HB3  SER  45           HB3      SER  45  16.317  36.734  -1.592
  376    HG   SER  45           HG       SER  45  14.410  35.214  -0.178
  377    H    LEU  46           H        LEU  46  16.075  33.341  -3.528
  378    HA   LEU  46           HA       LEU  46  18.301  34.133  -5.105
  379    HB2  LEU  46           HB2      LEU  46  18.045  31.903  -4.152
  380    HB3  LEU  46           HB3      LEU  46  16.539  31.648  -5.021
  381    HG   LEU  46           HG       LEU  46  17.721  31.570  -7.168
  382   HD11  LEU  46          HD11      LEU  46  19.671  33.009  -6.733
  383   HD12  LEU  46          HD12      LEU  46  20.254  31.891  -5.490
  384   HD13  LEU  46          HD13      LEU  46  20.216  31.393  -7.198
  385   HD21  LEU  46          HD21      LEU  46  18.725  29.412  -6.839
  386   HD22  LEU  46          HD22      LEU  46  18.941  29.702  -5.093
  387   HD23  LEU  46          HD23      LEU  46  17.313  29.538  -5.790
  388    H    ASN  47           H        ASN  47  14.953  33.615  -5.860
  389    HA   ASN  47           HA       ASN  47  13.778  35.150  -7.209
  390    HB2  ASN  47           HB2      ASN  47  15.761  36.213  -8.263
  391    HB3  ASN  47           HB3      ASN  47  15.854  34.848  -9.389
  392   HD21  ASN  47          HD22      ASN  47  15.602  36.570 -11.063
  393   HD22  ASN  47          HD21      ASN  47  13.984  37.135 -11.431
  394    H    ALA  48           H        ALA  48  13.028  32.869  -6.484
  395    HA   ALA  48           HA       ALA  48  12.333  31.318  -8.953
  396    HB1  ALA  48           HB1      ALA  48  13.393  30.034  -6.410
  397    HB2  ALA  48           HB2      ALA  48  12.959  29.222  -7.922
  398    HB3  ALA  48           HB3      ALA  48  14.346  30.323  -7.886
  399    HA   PRO  49           HA       PRO  49   8.333  31.100  -6.916
  400    HB2  PRO  49           HB2      PRO  49   6.911  29.750  -8.780
  401    HB3  PRO  49           HB3      PRO  49   7.517  31.405  -9.070
  402    HG2  PRO  49           HG2      PRO  49   8.743  28.789  -9.999
  403    HG3  PRO  49           HG3      PRO  49   8.467  30.286 -10.939
  404    HD2  PRO  49           HD2      PRO  49  10.872  29.631  -9.734
  405    HD3  PRO  49           HD3      PRO  49  10.338  31.316 -10.026
  406    H    PHE  50           H        PHE  50   9.109  29.868  -5.133
  407    HA   PHE  50           HA       PHE  50   9.202  26.964  -5.201
  408    HB2  PHE  50           HB2      PHE  50   9.577  27.076  -2.888
  409    HB3  PHE  50           HB3      PHE  50  10.343  28.534  -3.504
  410    HD1  PHE  50           HD2      PHE  50   9.301  30.771  -3.117
  411    HD2  PHE  50           HD1      PHE  50   7.627  27.166  -1.430
  412    HE1  PHE  50           HE2      PHE  50   7.845  32.128  -1.645
  413    HE2  PHE  50           HE1      PHE  50   6.154  28.534   0.021
  414    HZ   PHE  50           HZ       PHE  50   6.243  31.019  -0.097
  415    H    GLU  51           H        GLU  51   7.612  25.495  -4.387
  416    HA   GLU  51           HA       GLU  51   4.941  26.661  -3.684
  417    HB2  GLU  51           HB2      GLU  51   5.385  24.117  -5.272
  418    HB3  GLU  51           HB3      GLU  51   3.838  24.762  -4.755
  419    HG2  GLU  51           HG2      GLU  51   5.757  26.039  -6.759
  420    HG3  GLU  51           HG3      GLU  51   4.272  25.187  -7.143
  421    H    SER  52           H        SER  52   4.437  26.225  -1.633
  422    HA   SER  52           HA       SER  52   5.687  24.091  -0.094
  423    HB2  SER  52           HB2      SER  52   3.253  25.806   0.488
  424    HB3  SER  52           HB3      SER  52   4.031  24.708   1.633
  425    HG   SER  52           HG       SER  52   4.771  26.828   1.940
  426    H    VAL  53           H        VAL  53   5.120  21.976  -0.243
  427    HA   VAL  53           HA       VAL  53   2.352  21.193  -1.090
  428    HB   VAL  53           HB       VAL  53   4.842  19.485  -0.793
  429   HG11  VAL  53          HG11      VAL  53   2.053  18.812  -1.855
  430   HG12  VAL  53          HG12      VAL  53   3.464  17.746  -1.955
  431   HG13  VAL  53          HG13      VAL  53   2.799  18.166  -0.377
  432   HG21  VAL  53          HG21      VAL  53   4.776  19.318  -3.268
  433   HG22  VAL  53          HG22      VAL  53   3.422  20.468  -3.310
  434   HG23  VAL  53          HG23      VAL  53   5.021  20.987  -2.748
  435    H    ASN  54           H        ASN  54   0.964  20.858   0.506
  436    HA   ASN  54           HA       ASN  54   1.749  20.599   3.289
  437    HB2  ASN  54           HB2      ASN  54  -0.231  21.849   2.647
  438    HB3  ASN  54           HB3      ASN  54  -0.929  20.426   1.859
  439   HD21  ASN  54          HD22      ASN  54   0.187  21.640   5.078
  440   HD22  ASN  54          HD21      ASN  54  -0.981  20.669   5.985
  441    H    ILE  55           H        ILE  55   2.345  18.787   4.252
  442    HA   ILE  55           HA       ILE  55   1.282  16.118   3.360
  443    HB   ILE  55           HB       ILE  55   3.404  15.098   3.667
  444   HG12  ILE  55          HG12      ILE  55   4.830  17.706   4.112
  445   HG13  ILE  55          HG13      ILE  55   4.168  16.873   5.508
  446   HG21  ILE  55          HG21      ILE  55   3.774  17.593   1.951
  447   HG22  ILE  55          HG22      ILE  55   4.681  16.097   1.832
  448   HG23  ILE  55          HG23      ILE  55   2.944  16.104   1.452
  449   HD11  ILE  55          HD11      ILE  55   6.164  15.692   3.547
  450   HD12  ILE  55          HD12      ILE  55   6.481  16.264   5.192
  451   HD13  ILE  55          HD13      ILE  55   5.456  14.843   4.939
  452    H    LEU  56           H        LEU  56   1.911  14.410   5.054
  453    HA   LEU  56           HA       LEU  56   2.030  13.483   7.085
  454    HB2  LEU  56           HB2      LEU  56   3.323  15.915   7.521
  455    HB3  LEU  56           HB3      LEU  56   2.072  15.956   8.740
  456    HG   LEU  56           HG       LEU  56   4.063  15.091   9.700
  457   HD11  LEU  56          HD11      LEU  56   2.301  12.650   9.248
  458   HD12  LEU  56          HD12      LEU  56   3.413  12.948  10.592
  459   HD13  LEU  56          HD13      LEU  56   1.962  13.949  10.408
  460   HD21  LEU  56          HD21      LEU  56   5.300  13.149   8.863
  461   HD22  LEU  56          HD22      LEU  56   4.183  12.997   7.493
  462   HD23  LEU  56          HD23      LEU  56   5.220  14.427   7.636
  463    H    GLU  57           H        GLU  57  -0.054  16.394   7.313
  464    HA   GLU  57           HA       GLU  57  -1.954  15.162   9.113
  465    HB2  GLU  57           HB2      GLU  57  -3.367  17.078   8.648
  466    HB3  GLU  57           HB3      GLU  57  -1.707  17.575   8.949
  467    HG2  GLU  57           HG2      GLU  57  -1.347  17.908   6.518
  468    HG3  GLU  57           HG3      GLU  57  -2.993  17.351   6.186
  469    H    ASN  58           H        ASN  58  -1.567  15.023   5.669
  470    HA   ASN  58           HA       ASN  58  -4.141  13.623   5.219
  471    HB2  ASN  58           HB2      ASN  58  -3.530  14.061   2.782
  472    HB3  ASN  58           HB3      ASN  58  -4.005  15.431   3.775
  473   HD21  ASN  58          HD22      ASN  58  -2.916  16.469   1.730
  474   HD22  ASN  58          HD21      ASN  58  -1.215  16.856   1.979
  475    H    GLU  59           H        GLU  59  -4.027  11.488   5.363
  476    HA   GLU  59           HA       GLU  59  -1.617  10.059   5.704
  477    HB2  GLU  59           HB2      GLU  59  -4.431   9.057   5.125
  478    HB3  GLU  59           HB3      GLU  59  -3.079   8.024   5.612
  479    HG2  GLU  59           HG2      GLU  59  -2.822   9.308   7.709
  480    HG3  GLU  59           HG3      GLU  59  -4.196  10.328   7.266
  481    H    LEU  60           H        LEU  60  -3.450  10.527   2.688
  482    HA   LEU  60           HA       LEU  60  -2.165   8.462   1.182
  483    HB2  LEU  60           HB2      LEU  60  -3.422  11.125   0.348
  484    HB3  LEU  60           HB3      LEU  60  -2.882   9.900  -0.790
  485    HG   LEU  60           HG       LEU  60  -5.081   9.499   1.291
  486   HD11  LEU  60          HD11      LEU  60  -5.206   9.863  -1.734
  487   HD12  LEU  60          HD12      LEU  60  -6.589   9.528  -0.664
  488   HD13  LEU  60          HD13      LEU  60  -5.704  11.055  -0.519
  489   HD21  LEU  60          HD21      LEU  60  -4.039   7.659  -0.915
  490   HD22  LEU  60          HD22      LEU  60  -4.020   7.346   0.838
  491   HD23  LEU  60          HD23      LEU  60  -5.558   7.408  -0.028
  492    H    LEU  61           H        LEU  61  -1.353  11.947   1.478
  493    HA   LEU  61           HA       LEU  61   1.096  11.744  -0.062
  494    HB2  LEU  61           HB2      LEU  61   0.036  13.762   1.961
  495    HB3  LEU  61           HB3      LEU  61   1.623  13.932   1.249
  496    HG   LEU  61           HG       LEU  61   0.017  15.378   0.178
  497   HD11  LEU  61          HD11      LEU  61   1.000  13.205  -1.717
  498   HD12  LEU  61          HD12      LEU  61   0.530  14.856  -2.157
  499   HD13  LEU  61          HD13      LEU  61   1.939  14.586  -1.119
  500   HD21  LEU  61          HD21      LEU  61  -1.423  12.912  -0.874
  501   HD22  LEU  61          HD22      LEU  61  -2.031  13.984   0.409
  502   HD23  LEU  61          HD23      LEU  61  -1.794  14.607  -1.229
  503    H    ARG  62           H        ARG  62   0.412  11.517   3.433
  504    HA   ARG  62           HA       ARG  62   3.018  11.288   4.437
  505    HB2  ARG  62           HB2      ARG  62   0.769  11.365   5.683
  506    HB3  ARG  62           HB3      ARG  62   0.654   9.623   5.396
  507    HG2  ARG  62           HG2      ARG  62   2.999   9.493   6.530
  508    HG3  ARG  62           HG3      ARG  62   2.688  11.149   7.056
  509    HD2  ARG  62           HD2      ARG  62   0.959   8.701   7.650
  510    HD3  ARG  62           HD3      ARG  62   2.109   9.443   8.769
  511    HE   ARG  62           HE       ARG  62   0.382  11.521   8.068
  512   HH11  ARG  62          HH11      ARG  62  -0.026   8.390   9.684
  513   HH12  ARG  62          HH12      ARG  62  -1.362   8.971  10.634
  514   HH21  ARG  62          HH21      ARG  62  -1.281  12.189   9.280
  515   HH22  ARG  62          HH22      ARG  62  -2.086  11.120  10.407
  516    H    GLN  63           H        GLN  63   0.970   8.660   3.087
  517    HA   GLN  63           HA       GLN  63   3.056   6.605   3.416
  518    HB2  GLN  63           HB2      GLN  63   0.317   6.668   2.077
  519    HB3  GLN  63           HB3      GLN  63   1.346   5.231   2.128
  520    HG2  GLN  63           HG2      GLN  63   1.273   5.117   4.531
  521    HG3  GLN  63           HG3      GLN  63   0.502   6.699   4.665
  522   HE21  GLN  63          HE22      GLN  63  -1.704   6.930   3.675
  523   HE22  GLN  63          HE21      GLN  63  -2.775   5.523   3.759
  524    H    GLY  64           H        GLY  64   1.701   8.442   0.623
  525    HA2  GLY  64           HA2      GLY  64   3.085   6.942  -1.375
  526    HA3  GLY  64           HA3      GLY  64   2.306   8.531  -1.581
  527    H    LEU  65           H        LEU  65   3.949  10.102   0.150
  528    HA   LEU  65           HA       LEU  65   6.110  10.570  -1.707
  529    HB2  LEU  65           HB2      LEU  65   5.435  11.745   1.016
  530    HB3  LEU  65           HB3      LEU  65   6.804  12.295   0.052
  531    HG   LEU  65           HG       LEU  65   3.925  12.391  -0.945
  532   HD11  LEU  65          HD11      LEU  65   5.719  14.523   0.291
  533   HD12  LEU  65          HD12      LEU  65   4.149  14.832  -0.483
  534   HD13  LEU  65          HD13      LEU  65   4.227  13.844   0.989
  535   HD21  LEU  65          HD21      LEU  65   6.530  13.598  -2.010
  536   HD22  LEU  65          HD22      LEU  65   5.541  12.352  -2.806
  537   HD23  LEU  65          HD23      LEU  65   4.905  13.991  -2.608
  538    H    LYS  66           H        LYS  66   6.038   8.717   1.293
  539    HA   LYS  66           HA       LYS  66   8.863   8.582   1.725
  540    HB2  LYS  66           HB2      LYS  66   7.081   7.852   3.302
  541    HB3  LYS  66           HB3      LYS  66   6.702   6.481   2.247
  542    HG2  LYS  66           HG2      LYS  66   8.994   5.584   2.582
  543    HG3  LYS  66           HG3      LYS  66   9.404   6.988   3.587
  544    HD2  LYS  66           HD2      LYS  66   7.651   6.344   5.213
  545    HD3  LYS  66           HD3      LYS  66   7.229   4.941   4.206
  546    HE2  LYS  66           HE2      LYS  66   9.553   4.076   4.460
  547    HE3  LYS  66           HE3      LYS  66   9.962   5.461   5.481
  548    HZ1  LYS  66           HZ1      LYS  66   9.388   3.512   6.810
  549    HZ2  LYS  66           HZ2      LYS  66   8.288   4.692   7.077
  550    HZ3  LYS  66           HZ3      LYS  66   7.909   3.407   6.130
  551    H    GLU  67           H        GLU  67   6.728   6.589  -0.357
  552    HA   GLU  67           HA       GLU  67   8.906   5.007  -1.476
  553    HB2  GLU  67           HB2      GLU  67   6.516   4.261  -1.355
  554    HB3  GLU  67           HB3      GLU  67   6.100   5.476  -2.573
  555    HG2  GLU  67           HG2      GLU  67   7.723   4.381  -4.155
  556    HG3  GLU  67           HG3      GLU  67   8.060   3.160  -2.925
  557    H    TYR  68           H        TYR  68   6.983   7.845  -2.647
  558    HA   TYR  68           HA       TYR  68   8.154   8.004  -5.194
  559    HB2  TYR  68           HB2      TYR  68   6.051   9.140  -4.163
  560    HB3  TYR  68           HB3      TYR  68   7.146  10.417  -3.658
  561    HD1  TYR  68           HD2      TYR  68   5.477   8.746  -6.473
  562    HD2  TYR  68           HD1      TYR  68   8.161  11.938  -5.360
  563    HE1  TYR  68           HE2      TYR  68   5.212   9.757  -8.731
  564    HE2  TYR  68           HE1      TYR  68   7.915  12.932  -7.606
  565    HH   TYR  68           HH       TYR  68   5.805  11.480 -10.119
  566    H    SER  69           H        SER  69   9.216   9.602  -2.180
  567    HA   SER  69           HA       SER  69  11.463  10.945  -3.558
  568    HB2  SER  69           HB2      SER  69  11.944  11.972  -1.447
  569    HB3  SER  69           HB3      SER  69  10.225  12.160  -1.823
  570    HG   SER  69           HG       SER  69   9.740  10.571  -0.315
  571    H    SER  70           H        SER  70  11.086   8.175  -1.388
  572    HA   SER  70           HA       SER  70  12.439   6.617  -0.527
  573    HB2  SER  70           HB2      SER  70  14.412   5.859  -1.602
  574    HB3  SER  70           HB3      SER  70  13.241   6.287  -2.849
  575    HG   SER  70           HG       SER  70  14.398   8.418  -2.786
  576    H    TRP  71           H        TRP  71  13.658   9.869  -0.645
  577    HA   TRP  71           HA       TRP  71  15.774   9.669   1.253
  578    HB2  TRP  71           HB2      TRP  71  15.462  11.525  -0.333
  579    HB3  TRP  71           HB3      TRP  71  13.977  11.988   0.478
  580    HD1  TRP  71           HD1      TRP  71  14.284  12.872   3.084
  581    HE1  TRP  71           HE1      TRP  71  16.173  14.166   4.206
  582    HE3  TRP  71           HE3      TRP  71  17.978  12.090  -0.391
  583    HZ2  TRP  71           HZ2      TRP  71  18.917  14.819   3.668
  584    HZ3  TRP  71           HZ3      TRP  71  20.230  13.073  -0.050
  585    HH2  TRP  71           HH2      TRP  71  20.720  14.430   1.972
  586    HA   PRO  72           HA       PRO  72  13.102   9.144   4.829
  587    HB2  PRO  72           HB2      PRO  72  14.941   9.033   6.834
  588    HB3  PRO  72           HB3      PRO  72  14.785   7.745   5.603
  589    HG2  PRO  72           HG2      PRO  72  16.764  10.044   5.646
  590    HG3  PRO  72           HG3      PRO  72  17.089   8.308   5.355
  591    HD2  PRO  72           HD2      PRO  72  16.762  10.128   3.321
  592    HD3  PRO  72           HD3      PRO  72  16.246   8.419   3.168
  593    H    THR  73           H        THR  73  11.981  10.486   6.046
  594    HA   THR  73           HA       THR  73  11.255  12.066   7.417
  595    HB   THR  73           HB       THR  73  12.615  13.387   8.835
  596    HG1  THR  73           HG1      THR  73  14.541  12.836   6.899
  597   HG21  THR  73          HG21      THR  73  14.110  10.772   8.399
  598   HG22  THR  73          HG22      THR  73  14.040  11.754   9.879
  599   HG23  THR  73          HG23      THR  73  12.581  10.942   9.286
  600    H    PHE  74           H        PHE  74  10.973  14.350   7.861
  601    HA   PHE  74           HA       PHE  74  11.200  16.143   5.529
  602    HB2  PHE  74           HB2      PHE  74   8.622  15.269   6.896
  603    HB3  PHE  74           HB3      PHE  74   8.725  16.623   5.794
  604    HD1  PHE  74           HD1      PHE  74   9.214  16.290   3.387
  605    HD2  PHE  74           HD2      PHE  74   8.579  12.966   6.051
  606    HE1  PHE  74           HE1      PHE  74   8.859  14.790   1.430
  607    HE2  PHE  74           HE2      PHE  74   8.228  11.470   4.100
  608    HZ   PHE  74           HZ       PHE  74   8.389  12.376   1.788
  609    HA   PRO  75           HA       PRO  75   9.616  18.593   5.459
  610    HB2  PRO  75           HB2      PRO  75  11.616  20.779   6.078
  611    HB3  PRO  75           HB3      PRO  75   9.974  20.928   5.384
  612    HG2  PRO  75           HG2      PRO  75  10.362  21.450   7.992
  613    HG3  PRO  75           HG3      PRO  75   8.963  20.417   7.530
  614    HD2  PRO  75           HD2      PRO  75  11.704  19.550   8.520
  615    HD3  PRO  75           HD3      PRO  75  10.092  19.006   9.065
  616    H    GLN  76           H        GLN  76  10.459  18.997   3.299
  617    HA   GLN  76           HA       GLN  76  13.289  18.266   2.795
  618    HB2  GLN  76           HB2      GLN  76  11.903  16.161   3.231
  619    HB3  GLN  76           HB3      GLN  76  10.974  16.565   1.781
  620    HG2  GLN  76           HG2      GLN  76  13.169  16.481   0.495
  621    HG3  GLN  76           HG3      GLN  76  13.918  15.834   1.970
  622   HE21  GLN  76          HE22      GLN  76  12.023  13.966   2.945
  623   HE22  GLN  76          HE21      GLN  76  11.710  12.799   1.674
  624    H    LEU  77           H        LEU  77  14.028  19.220   0.975
  625    HA   LEU  77           HA       LEU  77  12.147  20.664  -0.798
  626    HB2  LEU  77           HB2      LEU  77  14.007  21.802   0.339
  627    HB3  LEU  77           HB3      LEU  77  15.184  20.785  -0.458
  628    HG   LEU  77           HG       LEU  77  13.274  22.488  -2.102
  629   HD11  LEU  77          HD11      LEU  77  14.208  24.010  -0.469
  630   HD12  LEU  77          HD12      LEU  77  15.849  23.380  -0.744
  631   HD13  LEU  77          HD13      LEU  77  15.020  24.293  -2.013
  632   HD21  LEU  77          HD21      LEU  77  16.194  21.738  -2.585
  633   HD22  LEU  77          HD22      LEU  77  14.825  20.902  -3.340
  634   HD23  LEU  77          HD23      LEU  77  15.131  22.602  -3.693
  635    H    TYR  78           H        TYR  78  11.941  20.301  -2.952
  636    HA   TYR  78           HA       TYR  78  13.701  18.311  -4.298
  637    HB2  TYR  78           HB2      TYR  78  11.705  17.078  -3.800
  638    HB3  TYR  78           HB3      TYR  78  10.670  18.375  -4.362
  639    HD1  TYR  78           HD1      TYR  78  10.448  18.859  -6.851
  640    HD2  TYR  78           HD2      TYR  78  12.753  15.553  -5.365
  641    HE1  TYR  78           HE1      TYR  78  10.327  17.779  -9.072
  642    HE2  TYR  78           HE2      TYR  78  12.575  14.416  -7.553
  643    HH   TYR  78           HH       TYR  78  11.622  14.467  -9.626
  644    H    ILE  79           H        ILE  79  14.213  18.744  -6.359
  645    HA   ILE  79           HA       ILE  79  12.914  20.971  -7.801
  646    HB   ILE  79           HB       ILE  79  15.261  21.630  -8.615
  647   HG12  ILE  79          HG12      ILE  79  16.142  20.535  -5.912
  648   HG13  ILE  79          HG13      ILE  79  16.526  19.809  -7.475
  649   HG21  ILE  79          HG21      ILE  79  15.367  23.402  -6.993
  650   HG22  ILE  79          HG22      ILE  79  13.689  23.034  -7.356
  651   HG23  ILE  79          HG23      ILE  79  14.397  22.462  -5.831
  652   HD11  ILE  79          HD11      ILE  79  17.423  22.541  -6.474
  653   HD12  ILE  79          HD12      ILE  79  18.418  21.116  -6.796
  654   HD13  ILE  79          HD13      ILE  79  17.639  21.968  -8.148
  655    H    ASP  80           H        ASP  80  12.731  20.664  -9.887
  656    HA   ASP  80           HA       ASP  80  12.041  18.642 -11.182
  657    HB2  ASP  80           HB2      ASP  80  12.379  20.840 -12.180
  658    HB3  ASP  80           HB3      ASP  80  14.102  20.515 -12.367
  659    H    GLY  81           H        GLY  81  12.705  16.643 -10.420
  660    HA2  GLY  81           HA2      GLY  81  13.531  14.615 -11.308
  661    HA3  GLY  81           HA3      GLY  81  14.988  15.434 -11.902
  662    H    GLU  82           H        GLU  82  14.880  16.640  -8.851
  663    HA   GLU  82           HA       GLU  82  16.201  14.281  -7.578
  664    HB2  GLU  82           HB2      GLU  82  17.463  17.016  -8.020
  665    HB3  GLU  82           HB3      GLU  82  18.094  15.767  -6.939
  666    HG2  GLU  82           HG2      GLU  82  18.250  14.200  -8.897
  667    HG3  GLU  82           HG3      GLU  82  17.775  15.531  -9.960
  668    H    PHE  83           H        PHE  83  15.832  13.994  -5.543
  669    HA   PHE  83           HA       PHE  83  14.510  15.983  -3.829
  670    HB2  PHE  83           HB2      PHE  83  15.461  13.152  -3.247
  671    HB3  PHE  83           HB3      PHE  83  14.513  14.168  -2.167
  672    HD1  PHE  83           HD1      PHE  83  14.435  12.141  -5.274
  673    HD2  PHE  83           HD2      PHE  83  12.130  14.664  -2.639
  674    HE1  PHE  83           HE1      PHE  83  12.372  11.568  -6.523
  675    HE2  PHE  83           HE2      PHE  83  10.069  14.067  -3.868
  676    HZ   PHE  83           HZ       PHE  83  10.202  12.562  -5.862
  677    H    PHE  84           H        PHE  84  15.570  17.396  -2.639
  678    HA   PHE  84           HA       PHE  84  18.506  17.416  -2.767
  679    HB2  PHE  84           HB2      PHE  84  16.721  19.265  -3.343
  680    HB3  PHE  84           HB3      PHE  84  16.737  19.569  -1.616
  681    HD1  PHE  84           HD2      PHE  84  18.861  20.433  -0.522
  682    HD2  PHE  84           HD1      PHE  84  18.537  19.838  -4.783
  683    HE1  PHE  84           HE2      PHE  84  20.880  21.829  -0.877
  684    HE2  PHE  84           HE1      PHE  84  20.523  21.282  -5.136
  685    HZ   PHE  84           HZ       PHE  84  21.706  22.263  -3.192
  686    H    GLY  85           H        GLY  85  15.997  17.232  -0.277
  687    HA2  GLY  85           HA2      GLY  85  16.453  16.127   1.843
  688    HA3  GLY  85           HA3      GLY  85  18.080  16.822   1.848
  689    H    GLY  86           H        GLY  86  17.773  17.686   3.906
  690    HA2  GLY  86           HA2      GLY  86  15.411  19.299   4.567
  691    HA3  GLY  86           HA3      GLY  86  16.720  18.809   5.651
  692    H    CYS  87           H        CYS  87  16.027  21.046   6.318
  693    HA   CYS  87           HA       CYS  87  16.658  23.403   4.898
  694    HB2  CYS  87           HB2      CYS  87  15.215  23.285   6.909
  695    HB3  CYS  87           HB3      CYS  87  16.622  22.846   7.911
  696    HG   CYS  87           HG       CYS  87  16.259  25.274   8.508
  697    H    ASP  88           H        ASP  88  18.750  21.746   7.330
  698    HA   ASP  88           HA       ASP  88  20.859  23.611   7.212
  699    HB2  ASP  88           HB2      ASP  88  20.542  21.891   8.959
  700    HB3  ASP  88           HB3      ASP  88  20.973  20.630   7.810
  701    H    ILE  89           H        ILE  89  20.438  20.617   5.306
  702    HA   ILE  89           HA       ILE  89  22.815  20.858   3.692
  703    HB   ILE  89           HB       ILE  89  20.127  19.566   3.029
  704   HG12  ILE  89          HG12      ILE  89  22.722  18.340   4.106
  705   HG13  ILE  89          HG13      ILE  89  21.274  18.641   5.065
  706   HG21  ILE  89          HG21      ILE  89  22.847  19.219   1.680
  707   HG22  ILE  89          HG22      ILE  89  21.373  18.299   1.300
  708   HG23  ILE  89          HG23      ILE  89  21.422  20.015   0.966
  709   HD11  ILE  89          HD11      ILE  89  21.541  16.643   2.806
  710   HD12  ILE  89          HD12      ILE  89  21.278  16.332   4.523
  711   HD13  ILE  89          HD13      ILE  89  19.988  17.087   3.564
  712    H    THR  90           H        THR  90  19.504  22.106   3.192
  713    HA   THR  90           HA       THR  90  19.945  23.361   0.658
  714    HB   THR  90           HB       THR  90  17.955  24.116   2.841
  715    HG1  THR  90           HG1      THR  90  17.647  22.005   2.238
  716   HG21  THR  90          HG21      THR  90  17.910  24.627  -0.161
  717   HG22  THR  90          HG22      THR  90  16.609  24.995   0.978
  718   HG23  THR  90          HG23      THR  90  18.134  25.873   1.094
  719    H    VAL  91           H        VAL  91  20.158  24.705   3.963
  720    HA   VAL  91           HA       VAL  91  20.927  27.338   3.165
  721    HB   VAL  91           HB       VAL  91  21.292  25.812   5.761
  722   HG11  VAL  91          HG11      VAL  91  21.920  28.753   5.230
  723   HG12  VAL  91          HG12      VAL  91  21.767  28.025   6.841
  724   HG13  VAL  91          HG13      VAL  91  23.064  27.500   5.769
  725   HG21  VAL  91          HG21      VAL  91  19.460  28.139   4.998
  726   HG22  VAL  91          HG22      VAL  91  18.948  26.451   5.050
  727   HG23  VAL  91          HG23      VAL  91  19.460  27.249   6.537
  728    H    GLU  92           H        GLU  92  23.022  24.490   4.030
  729    HA   GLU  92           HA       GLU  92  25.485  25.959   3.639
  730    HB2  GLU  92           HB2      GLU  92  24.850  22.981   3.600
  731    HB3  GLU  92           HB3      GLU  92  26.477  23.650   3.375
  732    HG2  GLU  92           HG2      GLU  92  26.224  24.851   5.583
  733    HG3  GLU  92           HG3      GLU  92  24.748  23.930   5.861
  734    H    ALA  93           H        ALA  93  23.481  23.964   1.398
  735    HA   ALA  93           HA       ALA  93  25.274  24.184  -0.826
  736    HB1  ALA  93           HB1      ALA  93  22.260  23.750  -0.681
  737    HB2  ALA  93           HB2      ALA  93  23.294  23.419  -2.096
  738    HB3  ALA  93           HB3      ALA  93  23.507  22.483  -0.614
  739    H    TYR  94           H        TYR  94  22.595  26.310   0.279
  740    HA   TYR  94           HA       TYR  94  22.687  28.134  -1.930
  741    HB2  TYR  94           HB2      TYR  94  20.839  27.992  -0.297
  742    HB3  TYR  94           HB3      TYR  94  21.899  28.555   0.978
  743    HD1  TYR  94           HD1      TYR  94  20.847  29.611  -2.496
  744    HD2  TYR  94           HD2      TYR  94  21.703  30.818   1.557
  745    HE1  TYR  94           HE1      TYR  94  20.263  31.966  -3.070
  746    HE2  TYR  94           HE2      TYR  94  21.099  33.160   0.993
  747    HH   TYR  94           HH       TYR  94  20.385  34.601  -0.652
  748    H    LYS  95           H        LYS  95  24.422  28.163   1.204
  749    HA   LYS  95           HA       LYS  95  25.980  30.545   0.655
  750    HB2  LYS  95           HB2      LYS  95  26.313  28.204   2.585
  751    HB3  LYS  95           HB3      LYS  95  27.401  29.597   2.545
  752    HG2  LYS  95           HG2      LYS  95  25.570  31.139   3.038
  753    HG3  LYS  95           HG3      LYS  95  24.393  29.820   3.014
  754    HD2  LYS  95           HD2      LYS  95  25.532  28.742   4.929
  755    HD3  LYS  95           HD3      LYS  95  26.744  30.042   4.943
  756    HE2  LYS  95           HE2      LYS  95  24.923  31.712   5.334
  757    HE3  LYS  95           HE3      LYS  95  23.737  30.397   5.383
  758    HZ1  LYS  95           HZ1      LYS  95  26.007  30.745   7.271
  759    HZ2  LYS  95           HZ2      LYS  95  24.435  31.033   7.615
  760    HZ3  LYS  95           HZ3      LYS  95  24.935  29.505   7.330
  761    H    SER  96           H        SER  96  26.527  27.109  -0.091
  762    HA   SER  96           HA       SER  96  29.247  27.559  -1.098
  763    HB2  SER  96           HB2      SER  96  27.416  25.160  -1.418
  764    HB3  SER  96           HB3      SER  96  29.167  25.205  -1.677
  765    HG   SER  96           HG       SER  96  27.701  25.452   0.743
  766    H    GLY  97           H        GLY  97  26.114  27.994  -2.503
  767    HA2  GLY  97           HA2      GLY  97  25.672  28.963  -4.598
  768    HA3  GLY  97           HA3      GLY  97  27.278  28.474  -5.191
  769    H    GLU  98           H        GLU  98  26.070  25.785  -3.743
  770    HA   GLU  98           HA       GLU  98  25.714  24.425  -6.278
  771    HB2  GLU  98           HB2      GLU  98  25.260  23.384  -3.449
  772    HB3  GLU  98           HB3      GLU  98  25.470  22.421  -4.920
  773    HG2  GLU  98           HG2      GLU  98  27.779  23.446  -5.169
  774    HG3  GLU  98           HG3      GLU  98  27.561  24.189  -3.575
  775    H    LEU  99           H        LEU  99  23.471  25.397  -3.629
  776    HA   LEU  99           HA       LEU  99  21.099  24.305  -4.911
  777    HB2  LEU  99           HB2      LEU  99  21.239  24.966  -2.475
  778    HB3  LEU  99           HB3      LEU  99  21.391  26.649  -2.968
  779    HG   LEU  99           HG       LEU  99  19.110  26.391  -4.122
  780   HD11  LEU  99          HD11      LEU  99  18.984  23.902  -2.356
  781   HD12  LEU  99          HD12      LEU  99  17.632  24.617  -3.249
  782   HD13  LEU  99          HD13      LEU  99  18.989  23.903  -4.135
  783   HD21  LEU  99          HD21      LEU  99  19.377  26.192  -1.111
  784   HD22  LEU  99          HD22      LEU  99  19.342  27.659  -2.109
  785   HD23  LEU  99          HD23      LEU  99  17.886  26.665  -1.961
  786    H    GLN 100           H        GLN 100  22.764  27.460  -5.035
  787    HA   GLN 100           HA       GLN 100  20.820  28.881  -6.542
  788    HB2  GLN 100           HB2      GLN 100  23.842  29.290  -6.624
  789    HB3  GLN 100           HB3      GLN 100  22.601  30.436  -7.100
  790    HG2  GLN 100           HG2      GLN 100  21.756  30.407  -4.688
  791    HG3  GLN 100           HG3      GLN 100  23.160  29.436  -4.269
  792   HE21  GLN 100          HE22      GLN 100  24.312  30.949  -2.949
  793   HE22  GLN 100          HE21      GLN 100  24.850  32.492  -3.590
  794    H    GLU 101           H        GLU 101  23.709  27.076  -7.709
  795    HA   GLU 101           HA       GLU 101  23.195  27.335 -10.473
  796    HB2  GLU 101           HB2      GLU 101  25.311  26.552  -9.323
  797    HB3  GLU 101           HB3      GLU 101  24.514  25.017  -9.004
  798    HG2  GLU 101           HG2      GLU 101  25.894  24.716 -10.914
  799    HG3  GLU 101           HG3      GLU 101  24.236  24.700 -11.493
  800    H    GLN 102           H        GLN 102  22.241  24.626  -8.232
  801    HA   GLN 102           HA       GLN 102  20.990  23.164 -10.353
  802    HB2  GLN 102           HB2      GLN 102  20.877  22.856  -7.332
  803    HB3  GLN 102           HB3      GLN 102  20.115  21.733  -8.469
  804    HG2  GLN 102           HG2      GLN 102  22.219  21.153  -9.500
  805    HG3  GLN 102           HG3      GLN 102  23.083  22.401  -8.604
  806   HE21  GLN 102          HE22      GLN 102  23.146  22.183  -6.199
  807   HE22  GLN 102          HE21      GLN 102  23.190  20.541  -5.525
  808    H    VAL 103           H        VAL 103  19.563  25.436  -7.957
  809    HA   VAL 103           HA       VAL 103  16.826  24.884  -8.710
  810    HB   VAL 103           HB       VAL 103  18.114  27.328  -7.476
  811   HG11  VAL 103          HG11      VAL 103  15.771  28.003  -6.805
  812   HG12  VAL 103          HG12      VAL 103  16.092  28.169  -8.533
  813   HG13  VAL 103          HG13      VAL 103  15.143  26.785  -7.929
  814   HG21  VAL 103          HG21      VAL 103  16.231  25.286  -6.213
  815   HG22  VAL 103          HG22      VAL 103  17.993  25.167  -6.110
  816   HG23  VAL 103          HG23      VAL 103  17.152  26.558  -5.401
  817    H    GLU 104           H        GLU 104  19.291  27.207 -10.032
  818    HA   GLU 104           HA       GLU 104  17.513  28.383 -11.929
  819    HB2  GLU 104           HB2      GLU 104  19.708  29.332 -11.257
  820    HB3  GLU 104           HB3      GLU 104  20.528  28.035 -12.132
  821    HG2  GLU 104           HG2      GLU 104  19.529  28.793 -14.249
  822    HG3  GLU 104           HG3      GLU 104  18.576  30.015 -13.396
  823    H    LYS 105           H        LYS 105  19.771  25.563 -12.237
  824    HA   LYS 105           HA       LYS 105  19.012  24.863 -14.896
  825    HB2  LYS 105           HB2      LYS 105  20.085  23.230 -12.560
  826    HB3  LYS 105           HB3      LYS 105  19.773  22.531 -14.153
  827    HG2  LYS 105           HG2      LYS 105  21.301  24.131 -15.213
  828    HG3  LYS 105           HG3      LYS 105  21.655  24.875 -13.645
  829    HD2  LYS 105           HD2      LYS 105  22.595  22.735 -12.826
  830    HD3  LYS 105           HD3      LYS 105  22.182  21.951 -14.373
  831    HE2  LYS 105           HE2      LYS 105  23.644  23.583 -15.569
  832    HE3  LYS 105           HE3      LYS 105  24.081  24.320 -14.017
  833    HZ1  LYS 105           HZ1      LYS 105  25.756  22.712 -14.747
  834    HZ2  LYS 105           HZ2      LYS 105  25.065  22.185 -13.361
  835    HZ3  LYS 105           HZ3      LYS 105  24.657  21.506 -14.798
  836    H    ALA 106           H        ALA 106  17.427  23.955 -11.796
  837    HA   ALA 106           HA       ALA 106  15.451  22.259 -13.006
  838    HB1  ALA 106           HB1      ALA 106  16.049  22.210 -10.628
  839    HB2  ALA 106           HB2      ALA 106  15.375  23.845 -10.398
  840    HB3  ALA 106           HB3      ALA 106  14.306  22.500 -10.841
  841    H    MET 107           H        MET 107  15.538  25.801 -12.670
  842    HA   MET 107           HA       MET 107  12.754  26.128 -13.571
  843    HB2  MET 107           HB2      MET 107  15.067  28.088 -13.289
  844    HB3  MET 107           HB3      MET 107  13.453  28.524 -13.866
  845    HG2  MET 107           HG2      MET 107  12.470  27.587 -11.765
  846    HG3  MET 107           HG3      MET 107  14.098  27.337 -11.139
  847    HE1  MET 107           HE1      MET 107  15.417  30.972 -10.620
  848    HE2  MET 107           HE2      MET 107  15.773  29.231 -10.545
  849    HE3  MET 107           HE3      MET 107  15.649  30.052 -12.118
  850    H    CYS 108           H        CYS 108  15.985  26.168 -15.116
  851    HA   CYS 108           HA       CYS 108  15.013  26.848 -17.744
  852    HB2  CYS 108           HB2      CYS 108  17.590  25.453 -16.862
  853    HB3  CYS 108           HB3      CYS 108  17.288  26.145 -18.462
  854    HG   CYS 108           HG       CYS 108  17.413  27.632 -15.497
  855    H    SER 109           H        SER 109  15.689  23.711 -16.232
  856    HA   SER 109           HA       SER 109  15.447  21.549 -16.810
  857    HB2  SER 109           HB2      SER 109  13.050  22.520 -18.396
  858    HB3  SER 109           HB3      SER 109  13.395  20.830 -17.980
  859    HG   SER 109           HG       SER 109  13.181  21.279 -15.820
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  -5.244  -2.820  -5.758
    2    H2   MET   1           H2       MET   1  -4.735  -2.724  -4.211
    3    H3   MET   1           H3       MET   1  -5.552  -1.477  -4.869
    4    HA   MET   1           HA       MET   1  -2.876  -2.424  -5.665
    5    HB2  MET   1           HB2      MET   1  -2.719  -0.584  -7.225
    6    HB3  MET   1           HB3      MET   1  -4.105  -1.586  -7.623
    7    HG2  MET   1           HG2      MET   1  -5.631   0.088  -6.639
    8    HG3  MET   1           HG3      MET   1  -4.256   1.052  -6.102
    9    HE1  MET   1           HE1      MET   1  -5.005  -0.740  -9.647
   10    HE2  MET   1           HE2      MET   1  -6.536  -0.016  -9.090
   11    HE3  MET   1           HE3      MET   1  -5.687   0.663 -10.496
   12    H    ALA   2           H        ALA   2  -1.140  -0.767  -5.364
   13    HA   ALA   2           HA       ALA   2  -1.237   0.429  -2.693
   14    HB1  ALA   2           HB1      ALA   2   1.134   0.940  -3.179
   15    HB2  ALA   2           HB2      ALA   2   0.762  -0.744  -3.589
   16    HB3  ALA   2           HB3      ALA   2   0.898   0.474  -4.878
   17    H    LEU   3           H        LEU   3  -0.282   2.696  -2.445
   18    HA   LEU   3           HA       LEU   3  -2.026   4.607  -3.729
   19    HB2  LEU   3           HB2      LEU   3  -0.871   6.262  -2.310
   20    HB3  LEU   3           HB3      LEU   3  -1.506   4.878  -1.443
   21    HG   LEU   3           HG       LEU   3   0.773   3.946  -1.186
   22   HD11  LEU   3          HD11      LEU   3   2.737   5.500  -1.576
   23   HD12  LEU   3          HD12      LEU   3   2.071   4.804  -3.030
   24   HD13  LEU   3          HD13      LEU   3   1.685   6.492  -2.603
   25   HD21  LEU   3          HD21      LEU   3  -0.224   5.398   0.537
   26   HD22  LEU   3          HD22      LEU   3   1.529   5.599   0.466
   27   HD23  LEU   3          HD23      LEU   3   0.473   6.832  -0.253
   28    H    THR   4           H        THR   4   0.887   3.360  -4.902
   29    HA   THR   4           HA       THR   4   2.349   5.586  -5.678
   30    HB   THR   4           HB       THR   4   3.355   3.997  -7.428
   31    HG1  THR   4           HG1      THR   4   2.791   1.838  -7.071
   32   HG21  THR   4          HG21      THR   4   4.308   4.429  -5.171
   33   HG22  THR   4          HG22      THR   4   3.264   3.156  -4.490
   34   HG23  THR   4          HG23      THR   4   4.528   2.746  -5.672
   35    HA   PRO   5           HA       PRO   5   0.574   5.920 -10.028
   36    HB2  PRO   5           HB2      PRO   5  -2.002   5.152 -10.622
   37    HB3  PRO   5           HB3      PRO   5  -0.568   4.100 -10.810
   38    HG2  PRO   5           HG2      PRO   5  -2.510   4.183  -8.485
   39    HG3  PRO   5           HG3      PRO   5  -1.897   2.751  -9.378
   40    HD2  PRO   5           HD2      PRO   5  -0.800   3.525  -7.033
   41    HD3  PRO   5           HD3      PRO   5   0.222   2.903  -8.361
   42    H    ALA   6           H        ALA   6  -1.956   6.141  -7.452
   43    HA   ALA   6           HA       ALA   6  -3.103   8.611  -8.385
   44    HB1  ALA   6           HB1      ALA   6  -4.271   7.013  -6.909
   45    HB2  ALA   6           HB2      ALA   6  -3.077   7.297  -5.624
   46    HB3  ALA   6           HB3      ALA   6  -4.158   8.609  -6.142
   47    H    LEU   7           H        LEU   7  -0.645   7.892  -5.873
   48    HA   LEU   7           HA       LEU   7  -0.019  10.546  -5.084
   49    HB2  LEU   7           HB2      LEU   7   0.606   8.496  -3.899
   50    HB3  LEU   7           HB3      LEU   7   1.636   7.981  -5.222
   51    HG   LEU   7           HG       LEU   7   2.771   8.821  -3.193
   52   HD11  LEU   7          HD11      LEU   7   3.936   8.732  -5.371
   53   HD12  LEU   7          HD12      LEU   7   3.533  10.439  -5.644
   54   HD13  LEU   7          HD13      LEU   7   4.553   9.981  -4.277
   55   HD21  LEU   7          HD21      LEU   7   2.972  11.218  -2.734
   56   HD22  LEU   7          HD22      LEU   7   1.844  11.592  -4.045
   57   HD23  LEU   7          HD23      LEU   7   1.279  10.703  -2.615
   58    H    LYS   8           H        LYS   8   1.626   8.493  -7.583
   59    HA   LYS   8           HA       LYS   8   3.410  10.523  -8.406
   60    HB2  LYS   8           HB2      LYS   8   3.609   8.074  -8.832
   61    HB3  LYS   8           HB3      LYS   8   2.344   8.202 -10.070
   62    HG2  LYS   8           HG2      LYS   8   3.790   9.778 -11.351
   63    HG3  LYS   8           HG3      LYS   8   5.003   9.712 -10.056
   64    HD2  LYS   8           HD2      LYS   8   5.267   7.256 -10.462
   65    HD3  LYS   8           HD3      LYS   8   4.094   7.370 -11.794
   66    HE2  LYS   8           HE2      LYS   8   5.579   9.019 -12.941
   67    HE3  LYS   8           HE3      LYS   8   6.742   8.898 -11.608
   68    HZ1  LYS   8           HZ1      LYS   8   7.370   7.481 -13.472
   69    HZ2  LYS   8           HZ2      LYS   8   7.049   6.549 -12.171
   70    HZ3  LYS   8           HZ3      LYS   8   5.963   6.655 -13.396
   71    H    THR   9           H        THR   9   0.063   9.895  -9.557
   72    HA   THR   9           HA       THR   9   0.005  11.745 -11.716
   73    HB   THR   9           HB       THR   9  -2.123  10.657  -9.908
   74    HG1  THR   9           HG1      THR   9  -1.289   9.042 -11.082
   75   HG21  THR   9          HG21      THR   9  -2.339  12.163 -12.522
   76   HG22  THR   9          HG22      THR   9  -3.664  11.235 -11.770
   77   HG23  THR   9          HG23      THR   9  -3.000  12.648 -10.937
   78    H    THR  10           H        THR  10  -0.871  12.183  -8.231
   79    HA   THR  10           HA       THR  10  -1.452  14.976  -8.423
   80    HB   THR  10           HB       THR  10  -0.448  13.322  -6.068
   81    HG1  THR  10           HG1      THR  10  -2.668  13.260  -5.638
   82   HG21  THR  10          HG21      THR  10  -0.138  15.714  -5.565
   83   HG22  THR  10          HG22      THR  10  -1.781  16.072  -6.146
   84   HG23  THR  10          HG23      THR  10  -1.536  15.093  -4.679
   85    H    LEU  11           H        LEU  11   1.638  13.341  -7.499
   86    HA   LEU  11           HA       LEU  11   3.062  15.811  -7.188
   87    HB2  LEU  11           HB2      LEU  11   4.137  13.038  -7.856
   88    HB3  LEU  11           HB3      LEU  11   5.104  14.428  -7.375
   89    HG   LEU  11           HG       LEU  11   3.096  12.921  -5.660
   90   HD11  LEU  11          HD11      LEU  11   6.090  13.415  -5.361
   91   HD12  LEU  11          HD12      LEU  11   5.068  12.411  -4.310
   92   HD13  LEU  11          HD13      LEU  11   5.354  11.927  -5.991
   93   HD21  LEU  11          HD21      LEU  11   3.728  14.424  -3.797
   94   HD22  LEU  11          HD22      LEU  11   4.619  15.458  -4.938
   95   HD23  LEU  11          HD23      LEU  11   2.848  15.291  -5.051
   96    H    ASP  12           H        ASP  12   2.770  13.730 -10.123
   97    HA   ASP  12           HA       ASP  12   4.411  15.280 -11.823
   98    HB2  ASP  12           HB2      ASP  12   3.532  13.084 -12.417
   99    HB3  ASP  12           HB3      ASP  12   1.885  13.719 -12.461
  100    H    LYS  13           H        LYS  13   0.845  15.621 -11.242
  101    HA   LYS  13           HA       LYS  13   0.480  17.992 -12.787
  102    HB2  LYS  13           HB2      LYS  13  -0.987  16.832 -10.382
  103    HB3  LYS  13           HB3      LYS  13  -1.521  18.302 -11.205
  104    HG2  LYS  13           HG2      LYS  13  -1.808  17.140 -13.309
  105    HG3  LYS  13           HG3      LYS  13  -1.111  15.653 -12.658
  106    HD2  LYS  13           HD2      LYS  13  -2.955  15.507 -11.001
  107    HD3  LYS  13           HD3      LYS  13  -3.696  16.961 -11.673
  108    HE2  LYS  13           HE2      LYS  13  -3.158  14.383 -13.238
  109    HE3  LYS  13           HE3      LYS  13  -4.694  14.772 -12.457
  110    HZ1  LYS  13           HZ1      LYS  13  -4.872  16.730 -13.896
  111    HZ2  LYS  13           HZ2      LYS  13  -3.469  16.350 -14.653
  112    HZ3  LYS  13           HZ3      LYS  13  -4.763  15.362 -14.785
  113    H    VAL  14           H        VAL  14   1.356  17.665  -9.321
  114    HA   VAL  14           HA       VAL  14   1.568  20.465  -8.842
  115    HB   VAL  14           HB       VAL  14   2.821  18.167  -7.445
  116   HG11  VAL  14          HG11      VAL  14   3.355  19.702  -5.561
  117   HG12  VAL  14          HG12      VAL  14   4.342  20.030  -6.983
  118   HG13  VAL  14          HG13      VAL  14   2.963  21.086  -6.604
  119   HG21  VAL  14          HG21      VAL  14   1.164  18.663  -5.703
  120   HG22  VAL  14          HG22      VAL  14   0.610  20.089  -6.603
  121   HG23  VAL  14          HG23      VAL  14   0.333  18.466  -7.251
  122    H    VAL  15           H        VAL  15   4.286  18.174  -9.706
  123    HA   VAL  15           HA       VAL  15   6.152  20.359  -9.715
  124    HB   VAL  15           HB       VAL  15   7.844  18.910 -10.582
  125   HG11  VAL  15          HG11      VAL  15   7.916  17.272  -8.786
  126   HG12  VAL  15          HG12      VAL  15   7.320  18.831  -8.189
  127   HG13  VAL  15          HG13      VAL  15   6.190  17.488  -8.460
  128   HG21  VAL  15          HG21      VAL  15   5.666  16.850 -11.038
  129   HG22  VAL  15          HG22      VAL  15   6.707  17.596 -12.258
  130   HG23  VAL  15          HG23      VAL  15   7.394  16.496 -11.057
  131    H    THR  16           H        THR  16   4.081  19.176 -12.294
  132    HA   THR  16           HA       THR  16   5.489  20.728 -14.373
  133    HB   THR  16           HB       THR  16   3.462  20.260 -15.754
  134    HG1  THR  16           HG1      THR  16   2.764  18.458 -13.707
  135   HG21  THR  16          HG21      THR  16   4.810  17.831 -14.475
  136   HG22  THR  16          HG22      THR  16   3.912  17.843 -16.009
  137   HG23  THR  16          HG23      THR  16   5.411  18.771 -15.857
  138    H    SER  17           H        SER  17   2.750  21.302 -12.173
  139    HA   SER  17           HA       SER  17   2.110  23.901 -13.338
  140    HB2  SER  17           HB2      SER  17   1.465  22.808 -10.573
  141    HB3  SER  17           HB3      SER  17   0.728  24.219 -11.351
  142    HG   SER  17           HG       SER  17   0.483  21.471 -12.001
  143    H    HIS  18           H        HIS  18   4.155  22.857 -10.595
  144    HA   HIS  18           HA       HIS  18   5.441  25.552 -10.433
  145    HB2  HIS  18           HB2      HIS  18   4.425  23.873  -8.084
  146    HB3  HIS  18           HB3      HIS  18   5.351  25.369  -7.965
  147    HD1  HIS  18           HD1      HIS  18   3.985  27.649  -8.665
  148    HD2  HIS  18           HD2      HIS  18   1.818  24.043  -8.509
  149    HE1  HIS  18           HE1      HIS  18   1.511  28.299  -8.706
  150    H    LYS  19           H        LYS  19   7.449  24.883 -11.284
  151    HA   LYS  19           HA       LYS  19   8.408  22.266 -11.092
  152    HB2  LYS  19           HB2      LYS  19   9.098  23.998 -12.741
  153    HB3  LYS  19           HB3      LYS  19  10.087  24.777 -11.494
  154    HG2  LYS  19           HG2      LYS  19  11.417  22.694 -11.242
  155    HG3  LYS  19           HG3      LYS  19  10.415  21.883 -12.452
  156    HD2  LYS  19           HD2      LYS  19  12.088  24.378 -12.976
  157    HD3  LYS  19           HD3      LYS  19  12.658  22.734 -13.226
  158    HE2  LYS  19           HE2      LYS  19  10.059  23.232 -14.554
  159    HE3  LYS  19           HE3      LYS  19  11.318  24.352 -15.097
  160    HZ1  LYS  19           HZ1      LYS  19  11.298  22.311 -16.421
  161    HZ2  LYS  19           HZ2      LYS  19  12.724  22.467 -15.618
  162    HZ3  LYS  19           HZ3      LYS  19  11.594  21.391 -15.088
  163    H    VAL  20           H        VAL  20   9.086  24.887  -8.847
  164    HA   VAL  20           HA       VAL  20  10.715  23.045  -7.107
  165    HB   VAL  20           HB       VAL  20  10.333  26.060  -6.989
  166   HG11  VAL  20          HG11      VAL  20  10.635  25.198  -4.711
  167   HG12  VAL  20          HG12      VAL  20  12.035  24.235  -5.238
  168   HG13  VAL  20          HG13      VAL  20  12.098  26.008  -5.261
  169   HG21  VAL  20          HG21      VAL  20  11.844  25.324  -8.842
  170   HG22  VAL  20          HG22      VAL  20  12.699  26.219  -7.579
  171   HG23  VAL  20          HG23      VAL  20  12.842  24.459  -7.651
  172    H    VAL  21           H        VAL  21   9.828  22.291  -5.188
  173    HA   VAL  21           HA       VAL  21   7.511  23.678  -4.004
  174    HB   VAL  21           HB       VAL  21   6.408  22.378  -5.688
  175   HG11  VAL  21          HG11      VAL  21   7.715  19.882  -4.591
  176   HG12  VAL  21          HG12      VAL  21   6.527  19.964  -5.900
  177   HG13  VAL  21          HG13      VAL  21   8.132  20.659  -6.138
  178   HG21  VAL  21          HG21      VAL  21   5.998  20.940  -3.040
  179   HG22  VAL  21          HG22      VAL  21   5.343  22.548  -3.432
  180   HG23  VAL  21          HG23      VAL  21   4.835  21.130  -4.360
  181    H    LEU  22           H        LEU  22   7.324  23.428  -1.853
  182    HA   LEU  22           HA       LEU  22   9.140  21.491  -0.443
  183    HB2  LEU  22           HB2      LEU  22   7.710  24.041   0.342
  184    HB3  LEU  22           HB3      LEU  22   8.192  22.907   1.568
  185    HG   LEU  22           HG       LEU  22   9.717  24.799   1.327
  186   HD11  LEU  22          HD11      LEU  22  11.000  22.105   0.723
  187   HD12  LEU  22          HD12      LEU  22  11.795  23.509   1.458
  188   HD13  LEU  22          HD13      LEU  22  10.484  22.686   2.318
  189   HD21  LEU  22          HD21      LEU  22   9.599  25.098  -1.132
  190   HD22  LEU  22          HD22      LEU  22  11.264  24.991  -0.519
  191   HD23  LEU  22          HD23      LEU  22  10.537  23.601  -1.350
  192    H    PHE  23           H        PHE  23   8.425  19.910   0.833
  193    HA   PHE  23           HA       PHE  23   5.497  19.660   1.410
  194    HB2  PHE  23           HB2      PHE  23   7.557  17.494   0.881
  195    HB3  PHE  23           HB3      PHE  23   5.937  17.220   1.522
  196    HD1  PHE  23           HD2      PHE  23   3.908  17.910   0.143
  197    HD2  PHE  23           HD1      PHE  23   7.889  17.767  -1.512
  198    HE1  PHE  23           HE2      PHE  23   2.959  17.889  -2.148
  199    HE2  PHE  23           HE1      PHE  23   6.926  17.700  -3.798
  200    HZ   PHE  23           HZ       PHE  23   4.463  17.795  -4.122
  201    H    MET  24           H        MET  24   5.104  20.067   3.463
  202    HA   MET  24           HA       MET  24   7.080  19.460   5.616
  203    HB2  MET  24           HB2      MET  24   5.852  22.230   5.250
  204    HB3  MET  24           HB3      MET  24   7.104  21.749   6.398
  205    HG2  MET  24           HG2      MET  24   8.649  21.359   4.465
  206    HG3  MET  24           HG3      MET  24   7.402  21.956   3.382
  207    HE1  MET  24           HE1      MET  24   7.221  25.693   3.860
  208    HE2  MET  24           HE2      MET  24   6.714  24.241   2.988
  209    HE3  MET  24           HE3      MET  24   6.102  24.529   4.629
  210    H    LYS  25           H        LYS  25   6.026  20.238   7.801
  211    HA   LYS  25           HA       LYS  25   3.278  19.260   8.040
  212    HB2  LYS  25           HB2      LYS  25   5.045  20.645  10.094
  213    HB3  LYS  25           HB3      LYS  25   3.606  19.674  10.413
  214    HG2  LYS  25           HG2      LYS  25   4.793  17.677   9.447
  215    HG3  LYS  25           HG3      LYS  25   6.256  18.645   9.292
  216    HD2  LYS  25           HD2      LYS  25   4.787  18.121  11.910
  217    HD3  LYS  25           HD3      LYS  25   6.206  17.227  11.335
  218    HE2  LYS  25           HE2      LYS  25   7.524  19.348  11.283
  219    HE3  LYS  25           HE3      LYS  25   6.123  20.236  11.899
  220    HZ1  LYS  25           HZ1      LYS  25   7.627  19.656  13.695
  221    HZ2  LYS  25           HZ2      LYS  25   6.216  18.860  13.909
  222    HZ3  LYS  25           HZ3      LYS  25   7.531  18.059  13.349
  223    H    GLY  26           H        GLY  26   3.720  21.719   6.377
  224    HA2  GLY  26           HA2      GLY  26   1.513  23.385   7.173
  225    HA3  GLY  26           HA3      GLY  26   3.028  24.190   7.541
  226    H    THR  27           H        THR  27   1.385  25.394   5.761
  227    HA   THR  27           HA       THR  27   2.300  24.763   2.992
  228    HB   THR  27           HB       THR  27   0.498  26.261   2.276
  229    HG1  THR  27           HG1      THR  27  -0.879  27.037   4.042
  230   HG21  THR  27          HG21      THR  27  -1.421  25.007   2.957
  231   HG22  THR  27          HG22      THR  27  -0.070  23.871   2.826
  232   HG23  THR  27          HG23      THR  27  -0.620  24.424   4.428
  233    H    LYS  28           H        LYS  28   2.382  26.998   1.661
  234    HA   LYS  28           HA       LYS  28   4.596  28.573   2.638
  235    HB2  LYS  28           HB2      LYS  28   3.893  30.117   0.653
  236    HB3  LYS  28           HB3      LYS  28   4.630  28.570   0.379
  237    HG2  LYS  28           HG2      LYS  28   2.874  28.995  -1.212
  238    HG3  LYS  28           HG3      LYS  28   2.506  27.565  -0.259
  239    HD2  LYS  28           HD2      LYS  28   0.809  28.787   1.026
  240    HD3  LYS  28           HD3      LYS  28   1.333  30.320   0.317
  241    HE2  LYS  28           HE2      LYS  28  -0.727  29.578  -0.744
  242    HE3  LYS  28           HE3      LYS  28   0.600  29.614  -1.907
  243    HZ1  LYS  28           HZ1      LYS  28  -0.737  27.621  -2.140
  244    HZ2  LYS  28           HZ2      LYS  28   0.779  27.200  -1.745
  245    HZ3  LYS  28           HZ3      LYS  28  -0.427  27.141  -0.607
  246    H    ASP  29           H        ASP  29   1.344  28.778   3.595
  247    HA   ASP  29           HA       ASP  29   1.380  31.622   4.290
  248    HB2  ASP  29           HB2      ASP  29  -0.686  30.237   3.826
  249    HB3  ASP  29           HB3      ASP  29  -0.393  29.389   5.348
  250    H    PHE  30           H        PHE  30   2.412  28.586   5.770
  251    HA   PHE  30           HA       PHE  30   3.855  30.056   7.876
  252    HB2  PHE  30           HB2      PHE  30   1.829  27.865   8.475
  253    HB3  PHE  30           HB3      PHE  30   3.092  28.348   9.590
  254    HD1  PHE  30           HD2      PHE  30   3.203  30.750  10.430
  255    HD2  PHE  30           HD1      PHE  30  -0.248  29.099   8.437
  256    HE1  PHE  30           HE2      PHE  30   1.779  32.529  11.417
  257    HE2  PHE  30           HE1      PHE  30  -1.670  30.873   9.439
  258    HZ   PHE  30           HZ       PHE  30  -0.658  32.592  10.927
  259    HA   PRO  31           HA       PRO  31   6.339  26.688   5.877
  260    HB2  PRO  31           HB2      PRO  31   8.511  28.718   6.180
  261    HB3  PRO  31           HB3      PRO  31   8.132  27.681   4.786
  262    HG2  PRO  31           HG2      PRO  31   7.505  30.344   4.780
  263    HG3  PRO  31           HG3      PRO  31   6.413  29.125   4.049
  264    HD2  PRO  31           HD2      PRO  31   6.221  30.422   6.784
  265    HD3  PRO  31           HD3      PRO  31   4.939  30.158   5.565
  266    H    GLN  32           H        GLN  32   7.516  25.213   7.071
  267    HA   GLN  32           HA       GLN  32   7.346  25.609   9.962
  268    HB2  GLN  32           HB2      GLN  32   8.129  23.207   8.263
  269    HB3  GLN  32           HB3      GLN  32   7.856  23.178  10.005
  270    HG2  GLN  32           HG2      GLN  32   5.742  23.916   7.910
  271    HG3  GLN  32           HG3      GLN  32   5.918  22.357   8.695
  272   HE21  GLN  32          HE22      GLN  32   4.489  25.537   9.032
  273   HE22  GLN  32          HE21      GLN  32   3.888  25.249  10.656
  274    H    CYS  33           H        CYS  33   8.924  26.913  10.685
  275    HA   CYS  33           HA       CYS  33  10.772  27.171  11.965
  276    HB2  CYS  33           HB2      CYS  33  11.099  24.642  11.785
  277    HB3  CYS  33           HB3      CYS  33  12.256  24.965  10.495
  278    HG   CYS  33           HG       CYS  33  13.491  24.471  12.804
  279    H    GLY  34           H        GLY  34  12.931  28.133  11.791
  280    HA2  GLY  34           HA2      GLY  34  12.939  30.222   9.887
  281    HA3  GLY  34           HA3      GLY  34  14.285  29.805  10.961
  282    H    PHE  35           H        PHE  35  14.683  27.114   9.800
  283    HA   PHE  35           HA       PHE  35  16.337  27.669   7.526
  284    HB2  PHE  35           HB2      PHE  35  15.099  25.016   8.402
  285    HB3  PHE  35           HB3      PHE  35  16.443  25.225   7.279
  286    HD1  PHE  35           HD2      PHE  35  18.591  26.386   8.129
  287    HD2  PHE  35           HD1      PHE  35  15.533  24.807  10.734
  288    HE1  PHE  35           HE2      PHE  35  20.217  26.320  10.003
  289    HE2  PHE  35           HE1      PHE  35  17.157  24.754  12.605
  290    HZ   PHE  35           HZ       PHE  35  19.501  25.514  12.244
  291    H    SER  36           H        SER  36  13.067  26.088   7.660
  292    HA   SER  36           HA       SER  36  12.688  25.923   4.843
  293    HB2  SER  36           HB2      SER  36  10.562  26.276   6.973
  294    HB3  SER  36           HB3      SER  36  10.364  25.566   5.360
  295    HG   SER  36           HG       SER  36  11.003  24.337   7.577
  296    H    GLN  37           H        GLN  37  11.742  28.508   7.150
  297    HA   GLN  37           HA       GLN  37  10.442  30.254   5.282
  298    HB2  GLN  37           HB2      GLN  37  11.960  30.788   7.869
  299    HB3  GLN  37           HB3      GLN  37  11.032  32.021   7.001
  300    HG2  GLN  37           HG2      GLN  37   8.959  30.811   7.301
  301    HG3  GLN  37           HG3      GLN  37   9.796  29.388   7.914
  302   HE21  GLN  37          HE22      GLN  37   8.190  29.577   9.681
  303   HE22  GLN  37          HE21      GLN  37   8.577  30.660  11.015
  304    H    THR  38           H        THR  38  13.905  30.124   6.272
  305    HA   THR  38           HA       THR  38  14.826  32.120   4.441
  306    HB   THR  38           HB       THR  38  16.383  29.748   5.559
  307    HG1  THR  38           HG1      THR  38  15.598  30.916   7.243
  308   HG21  THR  38          HG21      THR  38  17.572  30.912   3.734
  309   HG22  THR  38          HG22      THR  38  17.272  32.481   4.504
  310   HG23  THR  38          HG23      THR  38  18.323  31.276   5.292
  311    H    VAL  39           H        VAL  39  14.590  28.571   4.102
  312    HA   VAL  39           HA       VAL  39  15.636  28.400   1.493
  313    HB   VAL  39           HB       VAL  39  13.839  26.602   3.097
  314   HG11  VAL  39          HG11      VAL  39  13.105  26.050   0.864
  315   HG12  VAL  39          HG12      VAL  39  14.776  26.063   0.259
  316   HG13  VAL  39          HG13      VAL  39  14.236  24.801   1.388
  317   HG21  VAL  39          HG21      VAL  39  15.858  25.229   3.131
  318   HG22  VAL  39          HG22      VAL  39  16.680  26.343   2.020
  319   HG23  VAL  39          HG23      VAL  39  16.269  26.862   3.654
  320    H    VAL  40           H        VAL  40  12.091  28.760   2.388
  321    HA   VAL  40           HA       VAL  40  11.320  28.737  -0.359
  322    HB   VAL  40           HB       VAL  40   9.228  29.734   0.312
  323   HG11  VAL  40          HG11      VAL  40  10.105  27.474   2.154
  324   HG12  VAL  40          HG12      VAL  40   8.435  27.885   1.732
  325   HG13  VAL  40          HG13      VAL  40   9.548  27.310   0.478
  326   HG21  VAL  40          HG21      VAL  40   9.910  31.291   2.076
  327   HG22  VAL  40          HG22      VAL  40   8.617  30.208   2.602
  328   HG23  VAL  40          HG23      VAL  40  10.275  29.911   3.132
  329    H    GLN  41           H        GLN  41  12.435  31.467   1.697
  330    HA   GLN  41           HA       GLN  41  12.020  33.502  -0.348
  331    HB2  GLN  41           HB2      GLN  41  13.850  33.318   2.078
  332    HB3  GLN  41           HB3      GLN  41  13.764  34.738   1.036
  333    HG2  GLN  41           HG2      GLN  41  11.426  35.102   1.544
  334    HG3  GLN  41           HG3      GLN  41  11.305  33.568   2.411
  335   HE21  GLN  41          HE22      GLN  41  12.506  33.330   4.450
  336   HE22  GLN  41          HE21      GLN  41  12.881  34.783   5.393
  337    H    ILE  42           H        ILE  42  14.874  31.471   0.473
  338    HA   ILE  42           HA       ILE  42  16.695  32.408  -1.476
  339    HB   ILE  42           HB       ILE  42  16.251  29.855   0.036
  340   HG12  ILE  42          HG12      ILE  42  18.653  31.692  -0.204
  341   HG13  ILE  42          HG13      ILE  42  17.374  31.853   1.000
  342   HG21  ILE  42          HG21      ILE  42  18.160  28.670  -0.890
  343   HG22  ILE  42          HG22      ILE  42  16.929  28.881  -2.102
  344   HG23  ILE  42          HG23      ILE  42  18.358  29.938  -2.132
  345   HD11  ILE  42          HD11      ILE  42  19.250  30.754   2.032
  346   HD12  ILE  42          HD12      ILE  42  17.939  29.562   1.865
  347   HD13  ILE  42          HD13      ILE  42  19.337  29.534   0.764
  348    H    LEU  43           H        LEU  43  14.312  29.773  -1.873
  349    HA   LEU  43           HA       LEU  43  15.032  29.168  -4.585
  350    HB2  LEU  43           HB2      LEU  43  12.502  28.689  -2.941
  351    HB3  LEU  43           HB3      LEU  43  12.787  27.966  -4.519
  352    HG   LEU  43           HG       LEU  43  14.695  27.553  -2.174
  353   HD11  LEU  43          HD11      LEU  43  12.454  26.803  -1.524
  354   HD12  LEU  43          HD12      LEU  43  12.356  25.791  -2.981
  355   HD13  LEU  43          HD13      LEU  43  13.561  25.442  -1.733
  356   HD21  LEU  43          HD21      LEU  43  15.696  27.039  -4.328
  357   HD22  LEU  43          HD22      LEU  43  15.399  25.555  -3.422
  358   HD23  LEU  43          HD23      LEU  43  14.323  25.996  -4.758
  359    H    LYS  44           H        LYS  44  12.303  31.105  -3.287
  360    HA   LYS  44           HA       LYS  44  11.196  31.985  -5.726
  361    HB2  LYS  44           HB2      LYS  44  10.251  32.322  -3.425
  362    HB3  LYS  44           HB3      LYS  44  11.478  33.559  -3.119
  363    HG2  LYS  44           HG2      LYS  44  10.566  34.852  -5.111
  364    HG3  LYS  44           HG3      LYS  44   9.335  33.599  -5.295
  365    HD2  LYS  44           HD2      LYS  44   8.329  35.439  -4.166
  366    HD3  LYS  44           HD3      LYS  44   8.520  34.152  -2.965
  367    HE2  LYS  44           HE2      LYS  44  10.536  35.258  -2.059
  368    HE3  LYS  44           HE3      LYS  44  10.451  36.493  -3.326
  369    HZ1  LYS  44           HZ1      LYS  44   8.384  36.072  -1.229
  370    HZ2  LYS  44           HZ2      LYS  44   9.480  37.287  -1.253
  371    HZ3  LYS  44           HZ3      LYS  44   8.321  37.215  -2.399
  372    H    SER  45           H        SER  45  13.822  33.462  -3.806
  373    HA   SER  45           HA       SER  45  14.335  35.694  -5.510
  374    HB2  SER  45           HB2      SER  45  16.200  34.381  -3.491
  375    HB3  SER  45           HB3      SER  45  16.340  36.015  -4.159
  376    HG   SER  45           HG       SER  45  14.449  34.962  -2.351
  377    H    LEU  46           H        LEU  46  15.943  32.451  -5.406
  378    HA   LEU  46           HA       LEU  46  17.901  32.988  -7.408
  379    HB2  LEU  46           HB2      LEU  46  16.448  30.491  -6.455
  380    HB3  LEU  46           HB3      LEU  46  17.558  30.407  -7.812
  381    HG   LEU  46           HG       LEU  46  18.375  31.430  -5.068
  382   HD11  LEU  46          HD11      LEU  46  17.706  29.062  -4.949
  383   HD12  LEU  46          HD12      LEU  46  18.737  28.682  -6.345
  384   HD13  LEU  46          HD13      LEU  46  19.467  29.213  -4.821
  385   HD21  LEU  46          HD21      LEU  46  19.983  30.627  -7.543
  386   HD22  LEU  46          HD22      LEU  46  19.834  32.270  -6.869
  387   HD23  LEU  46          HD23      LEU  46  20.674  31.022  -5.963
  388    H    ASN  47           H        ASN  47  14.540  32.241  -7.623
  389    HA   ASN  47           HA       ASN  47  13.238  33.461  -9.187
  390    HB2  ASN  47           HB2      ASN  47  15.036  34.077 -10.762
  391    HB3  ASN  47           HB3      ASN  47  15.014  32.436 -11.424
  392   HD21  ASN  47          HD22      ASN  47  12.975  35.363 -10.892
  393   HD22  ASN  47          HD21      ASN  47  11.903  35.034 -12.239
  394    H    ALA  48           H        ALA  48  11.815  32.046  -8.218
  395    HA   ALA  48           HA       ALA  48  11.062  29.776 -10.001
  396    HB1  ALA  48           HB1      ALA  48  11.554  29.421  -7.019
  397    HB2  ALA  48           HB2      ALA  48  10.943  28.184  -8.143
  398    HB3  ALA  48           HB3      ALA  48  12.595  28.816  -8.324
  399    HA   PRO  49           HA       PRO  49   6.916  31.065  -8.562
  400    HB2  PRO  49           HB2      PRO  49   5.400  29.753 -10.371
  401    HB3  PRO  49           HB3      PRO  49   6.438  31.119 -10.869
  402    HG2  PRO  49           HG2      PRO  49   7.063  28.153 -11.087
  403    HG3  PRO  49           HG3      PRO  49   7.227  29.414 -12.345
  404    HD2  PRO  49           HD2      PRO  49   9.309  28.577 -10.735
  405    HD3  PRO  49           HD3      PRO  49   9.199  30.230 -11.413
  406    H    PHE  50           H        PHE  50   7.989  29.710  -6.727
  407    HA   PHE  50           HA       PHE  50   7.654  26.896  -6.676
  408    HB2  PHE  50           HB2      PHE  50   8.803  26.963  -4.643
  409    HB3  PHE  50           HB3      PHE  50   9.428  28.353  -5.506
  410    HD1  PHE  50           HD2      PHE  50   8.310  30.690  -4.956
  411    HD2  PHE  50           HD1      PHE  50   7.903  27.184  -2.476
  412    HE1  PHE  50           HE2      PHE  50   7.504  32.102  -3.081
  413    HE2  PHE  50           HE1      PHE  50   7.098  28.602  -0.609
  414    HZ   PHE  50           HZ       PHE  50   6.893  31.060  -0.906
  415    H    GLU  51           H        GLU  51   6.692  25.713  -4.759
  416    HA   GLU  51           HA       GLU  51   4.260  26.945  -3.607
  417    HB2  GLU  51           HB2      GLU  51   4.276  24.646  -5.475
  418    HB3  GLU  51           HB3      GLU  51   3.478  24.270  -3.964
  419    HG2  GLU  51           HG2      GLU  51   2.815  26.668  -5.703
  420    HG3  GLU  51           HG3      GLU  51   1.947  25.134  -5.697
  421    H    SER  52           H        SER  52   3.360  25.488  -1.845
  422    HA   SER  52           HA       SER  52   5.349  23.804  -0.459
  423    HB2  SER  52           HB2      SER  52   4.392  26.405   0.720
  424    HB3  SER  52           HB3      SER  52   5.223  25.151   1.647
  425    HG   SER  52           HG       SER  52   6.458  25.967  -0.716
  426    H    VAL  53           H        VAL  53   4.199  22.069   0.138
  427    HA   VAL  53           HA       VAL  53   1.242  22.365   0.580
  428    HB   VAL  53           HB       VAL  53   2.822  20.000  -0.475
  429   HG11  VAL  53          HG11      VAL  53   0.576  19.088  -1.104
  430   HG12  VAL  53          HG12      VAL  53   0.789  19.216   0.641
  431   HG13  VAL  53          HG13      VAL  53  -0.185  20.427  -0.221
  432   HG21  VAL  53          HG21      VAL  53   2.803  21.791  -2.156
  433   HG22  VAL  53          HG22      VAL  53   1.723  20.490  -2.652
  434   HG23  VAL  53          HG23      VAL  53   1.043  21.977  -1.964
  435    H    ASN  54           H        ASN  54   0.305  21.500   2.370
  436    HA   ASN  54           HA       ASN  54   2.035  20.631   4.552
  437    HB2  ASN  54           HB2      ASN  54   0.160  22.208   4.900
  438    HB3  ASN  54           HB3      ASN  54  -0.987  20.942   4.463
  439   HD21  ASN  54          HD22      ASN  54  -1.725  21.659   6.775
  440   HD22  ASN  54          HD21      ASN  54  -1.005  20.758   8.096
  441    H    ILE  55           H        ILE  55   2.576  18.605   4.967
  442    HA   ILE  55           HA       ILE  55   1.232  16.265   3.755
  443    HB   ILE  55           HB       ILE  55   2.955  14.962   4.807
  444   HG12  ILE  55          HG12      ILE  55   3.469  17.378   6.540
  445   HG13  ILE  55          HG13      ILE  55   3.108  15.713   6.971
  446   HG21  ILE  55          HG21      ILE  55   4.893  15.857   3.699
  447   HG22  ILE  55          HG22      ILE  55   3.476  16.346   2.757
  448   HG23  ILE  55          HG23      ILE  55   4.284  17.521   3.813
  449   HD11  ILE  55          HD11      ILE  55   5.337  15.012   6.215
  450   HD12  ILE  55          HD12      ILE  55   5.731  16.721   5.866
  451   HD13  ILE  55          HD13      ILE  55   5.366  16.216   7.528
  452    H    LEU  56           H        LEU  56   0.971  17.952   6.808
  453    HA   LEU  56           HA       LEU  56  -0.184  15.672   8.239
  454    HB2  LEU  56           HB2      LEU  56   0.814  18.402   8.876
  455    HB3  LEU  56           HB3      LEU  56  -0.638  17.972   9.768
  456    HG   LEU  56           HG       LEU  56   1.496  17.515  10.941
  457   HD11  LEU  56          HD11      LEU  56  -0.079  14.962  10.374
  458   HD12  LEU  56          HD12      LEU  56   0.914  15.303  11.801
  459   HD13  LEU  56          HD13      LEU  56  -0.564  16.238  11.513
  460   HD21  LEU  56          HD21      LEU  56   1.967  15.289   8.912
  461   HD22  LEU  56          HD22      LEU  56   2.814  16.842   8.948
  462   HD23  LEU  56          HD23      LEU  56   2.975  15.720  10.309
  463    H    GLU  57           H        GLU  57  -2.269  15.600   9.016
  464    HA   GLU  57           HA       GLU  57  -4.487  15.345   8.685
  465    HB2  GLU  57           HB2      GLU  57  -4.528  18.080   7.350
  466    HB3  GLU  57           HB3      GLU  57  -5.901  17.170   7.974
  467    HG2  GLU  57           HG2      GLU  57  -4.901  17.271  10.267
  468    HG3  GLU  57           HG3      GLU  57  -3.619  18.310   9.640
  469    H    ASN  58           H        ASN  58  -2.348  15.005   6.338
  470    HA   ASN  58           HA       ASN  58  -4.268  14.137   4.223
  471    HB2  ASN  58           HB2      ASN  58  -1.754  15.842   3.907
  472    HB3  ASN  58           HB3      ASN  58  -2.584  15.046   2.573
  473   HD21  ASN  58          HD22      ASN  58  -2.910  17.652   5.017
  474   HD22  ASN  58          HD21      ASN  58  -4.195  18.466   4.143
  475    H    GLU  59           H        GLU  59  -3.617  12.238   5.835
  476    HA   GLU  59           HA       GLU  59  -1.124  11.133   6.056
  477    HB2  GLU  59           HB2      GLU  59  -3.189  10.499   7.277
  478    HB3  GLU  59           HB3      GLU  59  -3.734   9.580   5.867
  479    HG2  GLU  59           HG2      GLU  59  -1.800   8.066   6.089
  480    HG3  GLU  59           HG3      GLU  59  -1.146   9.055   7.407
  481    H    LEU  60           H        LEU  60  -3.336  10.507   3.312
  482    HA   LEU  60           HA       LEU  60  -1.887   8.443   2.034
  483    HB2  LEU  60           HB2      LEU  60  -4.217   9.168   1.520
  484    HB3  LEU  60           HB3      LEU  60  -3.600  10.681   0.853
  485    HG   LEU  60           HG       LEU  60  -2.438   9.405  -0.947
  486   HD11  LEU  60          HD11      LEU  60  -3.060   7.006  -1.304
  487   HD12  LEU  60          HD12      LEU  60  -2.068   7.237   0.138
  488   HD13  LEU  60          HD13      LEU  60  -3.817   6.984   0.302
  489   HD21  LEU  60          HD21      LEU  60  -4.481   8.796  -2.184
  490   HD22  LEU  60          HD22      LEU  60  -5.416   8.797  -0.671
  491   HD23  LEU  60          HD23      LEU  60  -4.709  10.308  -1.291
  492    H    LEU  61           H        LEU  61  -1.520  11.984   1.766
  493    HA   LEU  61           HA       LEU  61   0.700  11.849  -0.131
  494    HB2  LEU  61           HB2      LEU  61  -0.903  13.768   0.020
  495    HB3  LEU  61           HB3      LEU  61  -0.331  14.103   1.657
  496    HG   LEU  61           HG       LEU  61   1.953  14.551   0.730
  497   HD11  LEU  61          HD11      LEU  61   1.821  13.278  -1.397
  498   HD12  LEU  61          HD12      LEU  61   0.550  14.374  -1.977
  499   HD13  LEU  61          HD13      LEU  61   2.198  14.978  -1.696
  500   HD21  LEU  61          HD21      LEU  61   0.380  16.377   1.216
  501   HD22  LEU  61          HD22      LEU  61   1.393  16.759  -0.189
  502   HD23  LEU  61          HD23      LEU  61  -0.297  16.251  -0.422
  503    H    ARG  62           H        ARG  62   0.371  12.278   3.413
  504    HA   ARG  62           HA       ARG  62   3.043  12.746   4.093
  505    HB2  ARG  62           HB2      ARG  62   0.906  12.761   5.543
  506    HB3  ARG  62           HB3      ARG  62   1.163  11.031   5.757
  507    HG2  ARG  62           HG2      ARG  62   3.434  11.521   6.711
  508    HG3  ARG  62           HG3      ARG  62   3.101  13.255   6.547
  509    HD2  ARG  62           HD2      ARG  62   1.141  13.014   8.053
  510    HD3  ARG  62           HD3      ARG  62   1.490  11.281   8.219
  511    HE   ARG  62           HE       ARG  62   3.823  12.795   8.877
  512   HH11  ARG  62          HH11      ARG  62   0.678  11.985  10.298
  513   HH12  ARG  62          HH12      ARG  62   1.263  12.172  11.922
  514   HH21  ARG  62          HH21      ARG  62   4.507  13.025  10.992
  515   HH22  ARG  62          HH22      ARG  62   3.406  12.765  12.309
  516    H    GLN  63           H        GLN  63   1.448   9.495   3.816
  517    HA   GLN  63           HA       GLN  63   3.971   8.044   4.097
  518    HB2  GLN  63           HB2      GLN  63   1.756   7.069   4.674
  519    HB3  GLN  63           HB3      GLN  63   1.253   7.190   2.974
  520    HG2  GLN  63           HG2      GLN  63   3.146   5.698   2.329
  521    HG3  GLN  63           HG3      GLN  63   3.610   5.554   4.023
  522   HE21  GLN  63          HE22      GLN  63   3.046   3.300   2.378
  523   HE22  GLN  63          HE21      GLN  63   1.566   2.558   3.000
  524    H    GLY  64           H        GLY  64   1.853   8.937   1.294
  525    HA2  GLY  64           HA2      GLY  64   3.208   7.492  -0.632
  526    HA3  GLY  64           HA3      GLY  64   2.227   8.939  -0.949
  527    H    LEU  65           H        LEU  65   3.981  10.833   0.378
  528    HA   LEU  65           HA       LEU  65   5.999  11.392  -1.586
  529    HB2  LEU  65           HB2      LEU  65   5.545  12.221   1.310
  530    HB3  LEU  65           HB3      LEU  65   6.906  12.845   0.376
  531    HG   LEU  65           HG       LEU  65   4.023  13.153  -0.555
  532   HD11  LEU  65          HD11      LEU  65   4.143  15.426   0.439
  533   HD12  LEU  65          HD12      LEU  65   4.265  14.165   1.673
  534   HD13  LEU  65          HD13      LEU  65   5.728  15.015   1.143
  535   HD21  LEU  65          HD21      LEU  65   4.961  15.018  -1.873
  536   HD22  LEU  65          HD22      LEU  65   6.582  14.681  -1.247
  537   HD23  LEU  65          HD23      LEU  65   5.766  13.503  -2.295
  538    H    LYS  66           H        LYS  66   6.393  10.074   1.753
  539    HA   LYS  66           HA       LYS  66   9.181   9.499   1.470
  540    HB2  LYS  66           HB2      LYS  66   8.102   9.796   3.611
  541    HB3  LYS  66           HB3      LYS  66   7.024   8.418   3.347
  542    HG2  LYS  66           HG2      LYS  66   8.789   6.838   3.574
  543    HG3  LYS  66           HG3      LYS  66  10.043   8.065   3.355
  544    HD2  LYS  66           HD2      LYS  66   9.423   9.123   5.507
  545    HD3  LYS  66           HD3      LYS  66   8.152   7.896   5.744
  546    HE2  LYS  66           HE2      LYS  66   9.864   6.109   5.753
  547    HE3  LYS  66           HE3      LYS  66  11.137   7.298   5.431
  548    HZ1  LYS  66           HZ1      LYS  66  10.671   8.320   7.578
  549    HZ2  LYS  66           HZ2      LYS  66   9.443   7.268   7.878
  550    HZ3  LYS  66           HZ3      LYS  66  10.976   6.724   7.803
  551    H    GLU  67           H        GLU  67   6.313   7.480   0.822
  552    HA   GLU  67           HA       GLU  67   7.617   5.034   0.239
  553    HB2  GLU  67           HB2      GLU  67   5.062   5.700   0.477
  554    HB3  GLU  67           HB3      GLU  67   5.163   6.007  -1.253
  555    HG2  GLU  67           HG2      GLU  67   4.352   3.812  -1.062
  556    HG3  GLU  67           HG3      GLU  67   6.053   3.591  -1.460
  557    H    TYR  68           H        TYR  68   7.008   7.877  -1.828
  558    HA   TYR  68           HA       TYR  68   8.022   6.640  -4.269
  559    HB2  TYR  68           HB2      TYR  68   6.080   8.121  -4.162
  560    HB3  TYR  68           HB3      TYR  68   7.064   9.431  -3.529
  561    HD1  TYR  68           HD2      TYR  68   6.786   7.156  -6.515
  562    HD2  TYR  68           HD1      TYR  68   7.800  11.065  -5.018
  563    HE1  TYR  68           HE2      TYR  68   7.061   7.980  -8.852
  564    HE2  TYR  68           HE1      TYR  68   8.047  11.905  -7.343
  565    HH   TYR  68           HH       TYR  68   7.920  11.399  -9.569
  566    H    SER  69           H        SER  69   9.233   9.155  -1.976
  567    HA   SER  69           HA       SER  69  11.654   9.580  -3.610
  568    HB2  SER  69           HB2      SER  69  12.096  11.380  -2.112
  569    HB3  SER  69           HB3      SER  69  10.368  11.418  -2.493
  570    HG   SER  69           HG       SER  69  10.822  11.748  -0.283
  571    H    SER  70           H        SER  70  10.867   7.816  -0.649
  572    HA   SER  70           HA       SER  70  12.046   6.453   0.717
  573    HB2  SER  70           HB2      SER  70  13.393   5.945  -1.477
  574    HB3  SER  70           HB3      SER  70  14.667   6.886  -0.689
  575    HG   SER  70           HG       SER  70  14.789   4.627  -0.237
  576    H    TRP  71           H        TRP  71  12.333   9.695   0.537
  577    HA   TRP  71           HA       TRP  71  14.554  10.392   2.136
  578    HB2  TRP  71           HB2      TRP  71  13.235  11.928   0.739
  579    HB3  TRP  71           HB3      TRP  71  11.858  11.743   1.827
  580    HD1  TRP  71           HD1      TRP  71  11.672  13.445   3.707
  581    HE1  TRP  71           HE1      TRP  71  13.201  15.182   4.825
  582    HE3  TRP  71           HE3      TRP  71  16.038  12.379   1.267
  583    HZ2  TRP  71           HZ2      TRP  71  15.955  16.000   4.687
  584    HZ3  TRP  71           HZ3      TRP  71  18.120  13.607   1.825
  585    HH2  TRP  71           HH2      TRP  71  18.099  15.400   3.538
  586    HA   PRO  72           HA       PRO  72  13.250   8.623   5.934
  587    HB2  PRO  72           HB2      PRO  72  15.017   9.675   7.755
  588    HB3  PRO  72           HB3      PRO  72  15.454   8.483   6.493
  589    HG2  PRO  72           HG2      PRO  72  15.768  11.499   6.386
  590    HG3  PRO  72           HG3      PRO  72  16.982  10.246   5.986
  591    HD2  PRO  72           HD2      PRO  72  15.501  11.435   4.065
  592    HD3  PRO  72           HD3      PRO  72  15.881   9.691   3.967
  593    H    THR  73           H        THR  73  13.669  12.218   6.337
  594    HA   THR  73           HA       THR  73  11.221  12.290   8.043
  595    HB   THR  73           HB       THR  73  12.448  13.672   9.717
  596    HG1  THR  73           HG1      THR  73  14.185  14.043   8.191
  597   HG21  THR  73          HG21      THR  73  13.490  11.873  10.944
  598   HG22  THR  73          HG22      THR  73  12.032  11.251  10.153
  599   HG23  THR  73          HG23      THR  73  13.636  10.878   9.481
  600    H    PHE  74           H        PHE  74   9.969  13.913   7.513
  601    HA   PHE  74           HA       PHE  74  10.678  15.986   5.698
  602    HB2  PHE  74           HB2      PHE  74   8.295  15.644   7.562
  603    HB3  PHE  74           HB3      PHE  74   8.375  16.843   6.287
  604    HD1  PHE  74           HD1      PHE  74   8.571  16.128   3.866
  605    HD2  PHE  74           HD2      PHE  74   7.751  13.334   7.052
  606    HE1  PHE  74           HE1      PHE  74   7.868  14.426   2.199
  607    HE2  PHE  74           HE2      PHE  74   7.033  11.646   5.382
  608    HZ   PHE  74           HZ       PHE  74   7.122  12.175   2.958
  609    HA   PRO  75           HA       PRO  75   9.546  18.518   5.576
  610    HB2  PRO  75           HB2      PRO  75  10.993  20.724   4.903
  611    HB3  PRO  75           HB3      PRO  75   9.825  20.693   6.264
  612    HG2  PRO  75           HG2      PRO  75  12.829  20.297   6.414
  613    HG3  PRO  75           HG3      PRO  75  11.806  21.429   7.367
  614    HD2  PRO  75           HD2      PRO  75  12.504  19.001   8.352
  615    HD3  PRO  75           HD3      PRO  75  10.859  19.657   8.620
  616    H    GLN  76           H        GLN  76   9.942  18.628   3.312
  617    HA   GLN  76           HA       GLN  76  12.554  17.569   2.308
  618    HB2  GLN  76           HB2      GLN  76  10.953  15.681   2.683
  619    HB3  GLN  76           HB3      GLN  76   9.764  16.522   1.697
  620    HG2  GLN  76           HG2      GLN  76  11.516  16.378  -0.231
  621    HG3  GLN  76           HG3      GLN  76  12.399  15.255   0.802
  622   HE21  GLN  76          HE22      GLN  76   8.945  15.793  -0.325
  623   HE22  GLN  76          HE21      GLN  76   8.711  14.093  -0.692
  624    H    LEU  77           H        LEU  77  13.232  18.747   0.629
  625    HA   LEU  77           HA       LEU  77  11.406  20.559  -0.848
  626    HB2  LEU  77           HB2      LEU  77  13.684  21.146   0.251
  627    HB3  LEU  77           HB3      LEU  77  14.425  20.234  -1.046
  628    HG   LEU  77           HG       LEU  77  12.782  22.798  -1.243
  629   HD11  LEU  77          HD11      LEU  77  14.973  23.714  -2.025
  630   HD12  LEU  77          HD12      LEU  77  15.024  23.056  -0.381
  631   HD13  LEU  77          HD13      LEU  77  15.719  22.137  -1.742
  632   HD21  LEU  77          HD21      LEU  77  13.535  22.841  -3.673
  633   HD22  LEU  77          HD22      LEU  77  13.901  21.107  -3.499
  634   HD23  LEU  77          HD23      LEU  77  12.237  21.719  -3.288
  635    H    TYR  78           H        TYR  78  10.682  20.044  -2.827
  636    HA   TYR  78           HA       TYR  78  11.961  17.886  -4.442
  637    HB2  TYR  78           HB2      TYR  78   9.206  18.276  -3.604
  638    HB3  TYR  78           HB3      TYR  78   9.307  18.427  -5.341
  639    HD1  TYR  78           HD1      TYR  78  10.411  16.191  -2.550
  640    HD2  TYR  78           HD2      TYR  78   9.269  16.500  -6.691
  641    HE1  TYR  78           HE1      TYR  78  10.483  13.705  -2.759
  642    HE2  TYR  78           HE2      TYR  78   9.378  14.027  -6.912
  643    HH   TYR  78           HH       TYR  78   9.925  12.036  -5.870
  644    H    ILE  79           H        ILE  79  12.442  18.281  -6.547
  645    HA   ILE  79           HA       ILE  79  11.411  20.733  -7.819
  646    HB   ILE  79           HB       ILE  79  14.357  20.093  -8.150
  647   HG12  ILE  79          HG12      ILE  79  13.166  22.154  -6.237
  648   HG13  ILE  79          HG13      ILE  79  14.064  20.698  -5.782
  649   HG21  ILE  79          HG21      ILE  79  14.312  22.437  -9.103
  650   HG22  ILE  79          HG22      ILE  79  13.219  21.352  -9.947
  651   HG23  ILE  79          HG23      ILE  79  12.561  22.491  -8.762
  652   HD11  ILE  79          HD11      ILE  79  15.549  22.537  -5.551
  653   HD12  ILE  79          HD12      ILE  79  16.078  21.606  -6.965
  654   HD13  ILE  79          HD13      ILE  79  15.192  23.138  -7.175
  655    H    ASP  80           H        ASP  80  10.674  20.331  -9.758
  656    HA   ASP  80           HA       ASP  80  10.251  19.545 -11.812
  657    HB2  ASP  80           HB2      ASP  80  12.741  19.990 -11.931
  658    HB3  ASP  80           HB3      ASP  80  12.995  18.251 -11.749
  659    H    GLY  81           H        GLY  81  11.012  17.149  -9.493
  660    HA2  GLY  81           HA2      GLY  81   9.100  15.275  -9.737
  661    HA3  GLY  81           HA3      GLY  81  10.120  14.842 -11.110
  662    H    GLU  82           H        GLU  82  12.190  16.058  -8.710
  663    HA   GLU  82           HA       GLU  82  12.417  13.489  -7.210
  664    HB2  GLU  82           HB2      GLU  82  14.695  15.008  -8.557
  665    HB3  GLU  82           HB3      GLU  82  14.893  13.694  -7.395
  666    HG2  GLU  82           HG2      GLU  82  13.638  12.172  -8.940
  667    HG3  GLU  82           HG3      GLU  82  13.588  13.472 -10.137
  668    H    PHE  83           H        PHE  83  13.599  13.710  -5.167
  669    HA   PHE  83           HA       PHE  83  13.154  16.292  -3.890
  670    HB2  PHE  83           HB2      PHE  83  13.642  15.298  -1.852
  671    HB3  PHE  83           HB3      PHE  83  12.703  14.119  -2.729
  672    HD1  PHE  83           HD1      PHE  83  13.845  12.061  -3.715
  673    HD2  PHE  83           HD2      PHE  83  15.848  14.828  -1.085
  674    HE1  PHE  83           HE1      PHE  83  15.592  10.362  -3.249
  675    HE2  PHE  83           HE2      PHE  83  17.594  13.145  -0.636
  676    HZ   PHE  83           HZ       PHE  83  17.481  10.901  -1.722
  677    H    PHE  84           H        PHE  84  14.641  17.694  -3.110
  678    HA   PHE  84           HA       PHE  84  17.445  17.536  -4.116
  679    HB2  PHE  84           HB2      PHE  84  16.054  19.597  -4.480
  680    HB3  PHE  84           HB3      PHE  84  15.961  19.813  -2.734
  681    HD1  PHE  84           HD1      PHE  84  18.141  19.974  -5.713
  682    HD2  PHE  84           HD2      PHE  84  17.955  20.510  -1.435
  683    HE1  PHE  84           HE1      PHE  84  20.348  21.116  -5.756
  684    HE2  PHE  84           HE2      PHE  84  20.166  21.632  -1.483
  685    HZ   PHE  84           HZ       PHE  84  21.368  21.935  -3.648
  686    H    GLY  85           H        GLY  85  15.557  17.761  -1.082
  687    HA2  GLY  85           HA2      GLY  85  16.804  16.182   0.648
  688    HA3  GLY  85           HA3      GLY  85  17.999  17.467   0.592
  689    H    GLY  86           H        GLY  86  17.672  17.870   2.792
  690    HA2  GLY  86           HA2      GLY  86  15.070  18.900   3.788
  691    HA3  GLY  86           HA3      GLY  86  16.535  18.589   4.740
  692    H    CYS  87           H        CYS  87  15.161  20.883   5.199
  693    HA   CYS  87           HA       CYS  87  15.890  23.067   3.514
  694    HB2  CYS  87           HB2      CYS  87  14.831  22.981   6.383
  695    HB3  CYS  87           HB3      CYS  87  14.957  24.453   5.397
  696    HG   CYS  87           HG       CYS  87  12.446  23.438   5.464
  697    H    ASP  88           H        ASP  88  17.378  22.058   6.644
  698    HA   ASP  88           HA       ASP  88  19.369  24.108   6.712
  699    HB2  ASP  88           HB2      ASP  88  18.868  22.709   8.632
  700    HB3  ASP  88           HB3      ASP  88  19.367  21.256   7.765
  701    H    ILE  89           H        ILE  89  19.443  20.857   5.229
  702    HA   ILE  89           HA       ILE  89  22.062  21.010   4.045
  703    HB   ILE  89           HB       ILE  89  19.555  19.488   3.222
  704   HG12  ILE  89          HG12      ILE  89  22.104  18.473   4.570
  705   HG13  ILE  89          HG13      ILE  89  20.682  18.984   5.476
  706   HG21  ILE  89          HG21      ILE  89  22.395  19.166   2.150
  707   HG22  ILE  89          HG22      ILE  89  21.037  18.069   1.813
  708   HG23  ILE  89          HG23      ILE  89  20.980  19.720   1.224
  709   HD11  ILE  89          HD11      ILE  89  19.313  17.265   4.335
  710   HD12  ILE  89          HD12      ILE  89  20.779  16.657   3.523
  711   HD13  ILE  89          HD13      ILE  89  20.647  16.591   5.285
  712    H    THR  90           H        THR  90  18.906  22.155   2.848
  713    HA   THR  90           HA       THR  90  19.850  23.128   0.308
  714    HB   THR  90           HB       THR  90  17.446  24.027   1.938
  715    HG1  THR  90           HG1      THR  90  17.391  21.834   1.435
  716   HG21  THR  90          HG21      THR  90  16.546  24.743  -0.244
  717   HG22  THR  90          HG22      THR  90  18.011  25.648   0.104
  718   HG23  THR  90          HG23      THR  90  18.057  24.277  -1.033
  719    H    VAL  91           H        VAL  91  19.487  24.794   3.479
  720    HA   VAL  91           HA       VAL  91  20.485  27.320   2.579
  721    HB   VAL  91           HB       VAL  91  20.647  26.029   5.330
  722   HG11  VAL  91          HG11      VAL  91  21.105  28.330   6.197
  723   HG12  VAL  91          HG12      VAL  91  22.447  27.687   5.252
  724   HG13  VAL  91          HG13      VAL  91  21.354  28.887   4.526
  725   HG21  VAL  91          HG21      VAL  91  18.859  28.226   4.189
  726   HG22  VAL  91          HG22      VAL  91  18.368  26.562   4.546
  727   HG23  VAL  91          HG23      VAL  91  18.840  27.635   5.861
  728    H    GLU  92           H        GLU  92  22.318  24.447   3.815
  729    HA   GLU  92           HA       GLU  92  24.905  25.678   3.505
  730    HB2  GLU  92           HB2      GLU  92  24.044  22.761   3.617
  731    HB3  GLU  92           HB3      GLU  92  25.723  23.290   3.582
  732    HG2  GLU  92           HG2      GLU  92  23.727  24.081   5.746
  733    HG3  GLU  92           HG3      GLU  92  24.889  22.773   5.867
  734    H    ALA  93           H        ALA  93  22.923  23.710   1.239
  735    HA   ALA  93           HA       ALA  93  24.872  23.580  -0.853
  736    HB1  ALA  93           HB1      ALA  93  22.893  22.102  -0.656
  737    HB2  ALA  93           HB2      ALA  93  21.820  23.487  -0.953
  738    HB3  ALA  93           HB3      ALA  93  22.928  22.926  -2.222
  739    H    TYR  94           H        TYR  94  22.330  26.010  -0.132
  740    HA   TYR  94           HA       TYR  94  22.797  27.696  -2.405
  741    HB2  TYR  94           HB2      TYR  94  20.815  27.825  -0.956
  742    HB3  TYR  94           HB3      TYR  94  21.802  28.312   0.406
  743    HD1  TYR  94           HD2      TYR  94  20.849  29.347  -3.063
  744    HD2  TYR  94           HD1      TYR  94  22.199  30.617   0.822
  745    HE1  TYR  94           HE2      TYR  94  20.507  31.718  -3.732
  746    HE2  TYR  94           HE1      TYR  94  21.891  32.994   0.154
  747    HH   TYR  94           HH       TYR  94  20.675  33.924  -3.090
  748    H    LYS  95           H        LYS  95  24.236  27.735   0.869
  749    HA   LYS  95           HA       LYS  95  26.066  29.926   0.401
  750    HB2  LYS  95           HB2      LYS  95  26.007  27.607   2.383
  751    HB3  LYS  95           HB3      LYS  95  27.213  28.895   2.435
  752    HG2  LYS  95           HG2      LYS  95  25.598  30.582   2.934
  753    HG3  LYS  95           HG3      LYS  95  24.242  29.551   2.479
  754    HD2  LYS  95           HD2      LYS  95  24.332  29.720   4.890
  755    HD3  LYS  95           HD3      LYS  95  24.686  28.061   4.391
  756    HE2  LYS  95           HE2      LYS  95  27.138  28.552   4.638
  757    HE3  LYS  95           HE3      LYS  95  26.719  30.164   5.249
  758    HZ1  LYS  95           HZ1      LYS  95  27.108  28.566   7.047
  759    HZ2  LYS  95           HZ2      LYS  95  25.549  29.063   7.088
  760    HZ3  LYS  95           HZ3      LYS  95  25.932  27.577   6.485
  761    H    SER  96           H        SER  96  26.346  26.429  -0.189
  762    HA   SER  96           HA       SER  96  29.159  26.570  -1.003
  763    HB2  SER  96           HB2      SER  96  27.109  24.362  -1.411
  764    HB3  SER  96           HB3      SER  96  28.868  24.222  -1.551
  765    HG   SER  96           HG       SER  96  27.290  24.695   0.769
  766    H    GLY  97           H        GLY  97  26.196  27.267  -2.646
  767    HA2  GLY  97           HA2      GLY  97  26.032  28.250  -4.779
  768    HA3  GLY  97           HA3      GLY  97  27.607  27.578  -5.241
  769    H    GLU  98           H        GLU  98  25.989  25.061  -3.869
  770    HA   GLU  98           HA       GLU  98  25.749  23.685  -6.392
  771    HB2  GLU  98           HB2      GLU  98  24.845  22.823  -3.616
  772    HB3  GLU  98           HB3      GLU  98  25.049  21.778  -5.028
  773    HG2  GLU  98           HG2      GLU  98  27.501  22.458  -5.059
  774    HG3  GLU  98           HG3      GLU  98  27.229  23.287  -3.516
  775    H    LEU  99           H        LEU  99  23.323  24.784  -3.957
  776    HA   LEU  99           HA       LEU  99  21.005  23.988  -5.469
  777    HB2  LEU  99           HB2      LEU  99  21.003  24.613  -3.033
  778    HB3  LEU  99           HB3      LEU  99  21.370  26.279  -3.482
  779    HG   LEU  99           HG       LEU  99  19.154  26.272  -4.814
  780   HD11  LEU  99          HD11      LEU  99  17.466  24.621  -4.130
  781   HD12  LEU  99          HD12      LEU  99  18.819  23.824  -4.935
  782   HD13  LEU  99          HD13      LEU  99  18.677  23.757  -3.167
  783   HD21  LEU  99          HD21      LEU  99  19.311  27.506  -2.821
  784   HD22  LEU  99          HD22      LEU  99  17.823  26.557  -2.684
  785   HD23  LEU  99          HD23      LEU  99  19.295  26.054  -1.811
  786    H    GLN 100           H        GLN 100  22.959  26.961  -5.489
  787    HA   GLN 100           HA       GLN 100  21.238  28.558  -7.126
  788    HB2  GLN 100           HB2      GLN 100  24.287  28.710  -7.094
  789    HB3  GLN 100           HB3      GLN 100  23.133  29.963  -7.531
  790    HG2  GLN 100           HG2      GLN 100  22.320  29.880  -5.080
  791    HG3  GLN 100           HG3      GLN 100  23.700  28.846  -4.751
  792   HE21  GLN 100          HE22      GLN 100  24.771  30.360  -3.319
  793   HE22  GLN 100          HE21      GLN 100  25.436  31.854  -3.960
  794    H    GLU 101           H        GLU 101  24.010  26.428  -8.072
  795    HA   GLU 101           HA       GLU 101  23.613  26.677 -10.872
  796    HB2  GLU 101           HB2      GLU 101  25.652  25.750  -9.718
  797    HB3  GLU 101           HB3      GLU 101  24.735  24.274  -9.375
  798    HG2  GLU 101           HG2      GLU 101  24.334  24.045 -11.873
  799    HG3  GLU 101           HG3      GLU 101  25.401  25.430 -12.121
  800    H    GLN 102           H        GLN 102  22.365  24.142  -8.572
  801    HA   GLN 102           HA       GLN 102  21.082  22.661 -10.629
  802    HB2  GLN 102           HB2      GLN 102  20.683  22.741  -7.620
  803    HB3  GLN 102           HB3      GLN 102  19.827  21.605  -8.667
  804    HG2  GLN 102           HG2      GLN 102  22.877  21.775  -8.520
  805    HG3  GLN 102           HG3      GLN 102  21.892  20.662  -7.576
  806   HE21  GLN 102          HE22      GLN 102  20.619  18.973  -8.792
  807   HE22  GLN 102          HE21      GLN 102  21.210  18.492 -10.373
  808    H    VAL 103           H        VAL 103  19.691  25.249  -8.537
  809    HA   VAL 103           HA       VAL 103  16.993  24.899  -9.525
  810    HB   VAL 103           HB       VAL 103  18.378  27.266  -8.230
  811   HG11  VAL 103          HG11      VAL 103  15.422  26.990  -8.953
  812   HG12  VAL 103          HG12      VAL 103  16.087  28.205  -7.841
  813   HG13  VAL 103          HG13      VAL 103  16.548  28.235  -9.543
  814   HG21  VAL 103          HG21      VAL 103  17.958  25.207  -6.831
  815   HG22  VAL 103          HG22      VAL 103  17.068  26.630  -6.269
  816   HG23  VAL 103          HG23      VAL 103  16.232  25.365  -7.189
  817    H    GLU 104           H        GLU 104  19.746  27.000 -10.647
  818    HA   GLU 104           HA       GLU 104  18.277  28.238 -12.758
  819    HB2  GLU 104           HB2      GLU 104  20.427  29.063 -11.856
  820    HB3  GLU 104           HB3      GLU 104  21.264  27.659 -12.545
  821    HG2  GLU 104           HG2      GLU 104  20.616  28.382 -14.823
  822    HG3  GLU 104           HG3      GLU 104  19.692  29.729 -14.144
  823    H    LYS 105           H        LYS 105  20.336  25.283 -12.698
  824    HA   LYS 105           HA       LYS 105  20.043  24.532 -15.421
  825    HB2  LYS 105           HB2      LYS 105  21.697  23.765 -13.737
  826    HB3  LYS 105           HB3      LYS 105  20.444  22.802 -12.944
  827    HG2  LYS 105           HG2      LYS 105  20.189  21.496 -15.093
  828    HG3  LYS 105           HG3      LYS 105  21.546  22.420 -15.765
  829    HD2  LYS 105           HD2      LYS 105  21.606  20.623 -13.295
  830    HD3  LYS 105           HD3      LYS 105  22.270  20.215 -14.884
  831    HE2  LYS 105           HE2      LYS 105  23.958  21.983 -14.711
  832    HE3  LYS 105           HE3      LYS 105  23.228  22.591 -13.221
  833    HZ1  LYS 105           HZ1      LYS 105  23.770  20.484 -12.150
  834    HZ2  LYS 105           HZ2      LYS 105  24.566  19.968 -13.497
  835    HZ3  LYS 105           HZ3      LYS 105  25.109  21.279 -12.654
  836    H    ALA 106           H        ALA 106  17.968  23.680 -12.595
  837    HA   ALA 106           HA       ALA 106  16.146  22.020 -14.066
  838    HB1  ALA 106           HB1      ALA 106  15.726  23.649 -11.513
  839    HB2  ALA 106           HB2      ALA 106  14.710  22.306 -12.073
  840    HB3  ALA 106           HB3      ALA 106  16.391  22.008 -11.602
  841    H    MET 107           H        MET 107  16.025  25.543 -13.330
  842    HA   MET 107           HA       MET 107  13.426  25.933 -14.576
  843    HB2  MET 107           HB2      MET 107  15.595  27.832 -13.604
  844    HB3  MET 107           HB3      MET 107  14.079  28.386 -14.299
  845    HG2  MET 107           HG2      MET 107  14.313  26.611 -11.834
  846    HG3  MET 107           HG3      MET 107  14.071  28.349 -11.815
  847    HE1  MET 107           HE1      MET 107  11.891  29.579 -12.599
  848    HE2  MET 107           HE2      MET 107  11.852  28.771 -14.181
  849    HE3  MET 107           HE3      MET 107  10.411  28.761 -13.151
  850    H    CYS 108           H        CYS 108  16.764  26.681 -15.670
  851    HA   CYS 108           HA       CYS 108  15.746  27.729 -18.242
  852    HB2  CYS 108           HB2      CYS 108  17.477  28.888 -16.825
  853    HB3  CYS 108           HB3      CYS 108  18.584  27.539 -17.118
  854    HG   CYS 108           HG       CYS 108  17.107  29.533 -19.347
  855    H    SER 109           H        SER 109  17.861  25.077 -17.138
  856    HA   SER 109           HA       SER 109  18.802  23.257 -18.147
  857    HB2  SER 109           HB2      SER 109  16.174  23.233 -19.687
  858    HB3  SER 109           HB3      SER 109  17.304  21.873 -19.518
  859    HG   SER 109           HG       SER 109  16.954  22.800 -17.103
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  -2.254  -4.045  -6.428
    2    H2   MET   1           H2       MET   1  -3.566  -4.069  -5.459
    3    H3   MET   1           H3       MET   1  -3.750  -4.146  -7.083
    4    HA   MET   1           HA       MET   1  -2.882  -1.924  -7.372
    5    HB2  MET   1           HB2      MET   1  -5.337  -2.268  -7.076
    6    HB3  MET   1           HB3      MET   1  -5.163  -2.019  -5.341
    7    HG2  MET   1           HG2      MET   1  -6.005  -0.024  -6.463
    8    HG3  MET   1           HG3      MET   1  -4.450   0.301  -5.715
    9    HE1  MET   1           HE1      MET   1  -5.831   2.262  -7.755
   10    HE2  MET   1           HE2      MET   1  -4.229   2.570  -7.047
   11    HE3  MET   1           HE3      MET   1  -4.466   2.715  -8.801
   12    H    ALA   2           H        ALA   2  -1.966  -0.018  -6.509
   13    HA   ALA   2           HA       ALA   2  -1.267   0.142  -3.642
   14    HB1  ALA   2           HB1      ALA   2   1.148   0.417  -4.162
   15    HB2  ALA   2           HB2      ALA   2   0.579  -1.177  -4.670
   16    HB3  ALA   2           HB3      ALA   2   0.823   0.092  -5.884
   17    H    LEU   3           H        LEU   3  -0.070   2.282  -3.239
   18    HA   LEU   3           HA       LEU   3  -1.747   4.382  -4.240
   19    HB2  LEU   3           HB2      LEU   3  -0.546   5.813  -2.687
   20    HB3  LEU   3           HB3      LEU   3  -1.055   4.295  -1.975
   21    HG   LEU   3           HG       LEU   3   1.341   3.463  -2.177
   22   HD11  LEU   3          HD11      LEU   3   1.897   6.396  -2.808
   23   HD12  LEU   3          HD12      LEU   3   3.119   5.222  -2.284
   24   HD13  LEU   3          HD13      LEU   3   2.330   5.003  -3.826
   25   HD21  LEU   3          HD21      LEU   3   0.364   4.295  -0.070
   26   HD22  LEU   3          HD22      LEU   3   2.076   4.737  -0.188
   27   HD23  LEU   3          HD23      LEU   3   0.819   5.955  -0.498
   28    H    THR   4           H        THR   4   1.099   3.204  -5.672
   29    HA   THR   4           HA       THR   4   2.428   5.562  -6.329
   30    HB   THR   4           HB       THR   4   3.424   3.371  -6.389
   31    HG1  THR   4           HG1      THR   4   4.814   3.957  -7.944
   32   HG21  THR   4          HG21      THR   4   2.137   3.031  -9.128
   33   HG22  THR   4          HG22      THR   4   3.426   2.029  -8.449
   34   HG23  THR   4          HG23      THR   4   1.835   2.018  -7.690
   35    HA   PRO   5           HA       PRO   5   0.187   6.118 -10.508
   36    HB2  PRO   5           HB2      PRO   5  -2.632   5.324  -9.846
   37    HB3  PRO   5           HB3      PRO   5  -1.720   5.110 -11.367
   38    HG2  PRO   5           HG2      PRO   5  -2.180   3.002  -9.717
   39    HG3  PRO   5           HG3      PRO   5  -0.578   3.204 -10.505
   40    HD2  PRO   5           HD2      PRO   5  -1.410   4.072  -7.713
   41    HD3  PRO   5           HD3      PRO   5  -0.018   3.074  -8.193
   42    H    ALA   6           H        ALA   6  -1.889   6.381  -7.563
   43    HA   ALA   6           HA       ALA   6  -2.901   9.009  -8.139
   44    HB1  ALA   6           HB1      ALA   6  -2.674   7.459  -5.510
   45    HB2  ALA   6           HB2      ALA   6  -3.685   8.895  -5.798
   46    HB3  ALA   6           HB3      ALA   6  -4.032   7.385  -6.658
   47    H    LEU   7           H        LEU   7  -0.131   7.852  -6.191
   48    HA   LEU   7           HA       LEU   7   0.755  10.374  -5.194
   49    HB2  LEU   7           HB2      LEU   7   1.501   8.136  -4.393
   50    HB3  LEU   7           HB3      LEU   7   2.290   7.845  -5.942
   51    HG   LEU   7           HG       LEU   7   3.755   9.891  -5.474
   52   HD11  LEU   7          HD11      LEU   7   3.989  10.562  -3.092
   53   HD12  LEU   7          HD12      LEU   7   2.392  10.973  -3.729
   54   HD13  LEU   7          HD13      LEU   7   2.588   9.558  -2.673
   55   HD21  LEU   7          HD21      LEU   7   5.217   8.624  -3.944
   56   HD22  LEU   7          HD22      LEU   7   3.906   7.458  -3.662
   57   HD23  LEU   7          HD23      LEU   7   4.602   7.635  -5.280
   58    H    LYS   8           H        LYS   8   1.880   8.570  -8.128
   59    HA   LYS   8           HA       LYS   8   3.604  10.609  -9.110
   60    HB2  LYS   8           HB2      LYS   8   2.067   8.346 -10.457
   61    HB3  LYS   8           HB3      LYS   8   3.146   9.418 -11.360
   62    HG2  LYS   8           HG2      LYS   8   5.058   8.799 -10.021
   63    HG3  LYS   8           HG3      LYS   8   4.066   7.830  -8.924
   64    HD2  LYS   8           HD2      LYS   8   3.486   6.290 -10.769
   65    HD3  LYS   8           HD3      LYS   8   4.420   7.285 -11.907
   66    HE2  LYS   8           HE2      LYS   8   6.480   6.875 -10.580
   67    HE3  LYS   8           HE3      LYS   8   5.554   5.885  -9.444
   68    HZ1  LYS   8           HZ1      LYS   8   6.700   4.516 -11.093
   69    HZ2  LYS   8           HZ2      LYS   8   5.084   4.341 -11.272
   70    HZ3  LYS   8           HZ3      LYS   8   5.934   5.265 -12.329
   71    H    THR   9           H        THR   9   0.095  10.096  -9.825
   72    HA   THR   9           HA       THR   9  -0.290  12.256 -11.600
   73    HB   THR   9           HB       THR   9  -2.143  10.922  -9.653
   74    HG1  THR   9           HG1      THR   9  -1.528   9.420 -11.067
   75   HG21  THR   9          HG21      THR   9  -3.911  11.650 -11.242
   76   HG22  THR   9          HG22      THR   9  -3.144  12.992 -10.374
   77   HG23  THR   9          HG23      THR   9  -2.694  12.658 -12.068
   78    H    THR  10           H        THR  10  -0.550  12.160  -8.025
   79    HA   THR  10           HA       THR  10  -1.343  14.896  -7.670
   80    HB   THR  10           HB       THR  10   0.156  13.057  -5.747
   81    HG1  THR  10           HG1      THR  10  -1.764  12.152  -6.315
   82   HG21  THR  10          HG21      THR  10  -1.494  15.584  -5.264
   83   HG22  THR  10          HG22      THR  10  -0.923  14.475  -3.998
   84   HG23  THR  10          HG23      THR  10   0.247  15.386  -4.955
   85    H    LEU  11           H        LEU  11   1.917  13.399  -7.344
   86    HA   LEU  11           HA       LEU  11   3.281  15.858  -6.835
   87    HB2  LEU  11           HB2      LEU  11   4.235  13.174  -7.922
   88    HB3  LEU  11           HB3      LEU  11   5.318  14.491  -7.485
   89    HG   LEU  11           HG       LEU  11   3.410  13.123  -5.534
   90   HD11  LEU  11          HD11      LEU  11   5.193  11.610  -6.325
   91   HD12  LEU  11          HD12      LEU  11   6.422  12.810  -5.862
   92   HD13  LEU  11          HD13      LEU  11   5.415  12.041  -4.621
   93   HD21  LEU  11          HD21      LEU  11   4.790  14.256  -3.794
   94   HD22  LEU  11          HD22      LEU  11   5.654  15.139  -5.064
   95   HD23  LEU  11          HD23      LEU  11   3.909  15.409  -4.795
   96    H    ASP  12           H        ASP  12   2.807  14.109  -9.959
   97    HA   ASP  12           HA       ASP  12   4.196  15.962 -11.596
   98    HB2  ASP  12           HB2      ASP  12   3.462  13.737 -12.342
   99    HB3  ASP  12           HB3      ASP  12   1.769  14.245 -12.241
  100    H    LYS  13           H        LYS  13   0.629  15.895 -10.789
  101    HA   LYS  13           HA       LYS  13   0.027  18.341 -12.121
  102    HB2  LYS  13           HB2      LYS  13  -1.287  16.885  -9.794
  103    HB3  LYS  13           HB3      LYS  13  -1.919  18.406 -10.438
  104    HG2  LYS  13           HG2      LYS  13  -2.158  17.454 -12.674
  105    HG3  LYS  13           HG3      LYS  13  -1.481  15.912 -12.139
  106    HD2  LYS  13           HD2      LYS  13  -3.361  15.636 -10.540
  107    HD3  LYS  13           HD3      LYS  13  -4.031  17.202 -11.063
  108    HE2  LYS  13           HE2      LYS  13  -4.190  16.320 -13.404
  109    HE3  LYS  13           HE3      LYS  13  -3.609  14.749 -12.841
  110    HZ1  LYS  13           HZ1      LYS  13  -5.593  14.625 -11.405
  111    HZ2  LYS  13           HZ2      LYS  13  -6.126  16.070 -11.958
  112    HZ3  LYS  13           HZ3      LYS  13  -6.027  14.799 -12.971
  113    H    VAL  14           H        VAL  14   0.986  17.838  -8.697
  114    HA   VAL  14           HA       VAL  14   1.029  20.552  -7.901
  115    HB   VAL  14           HB       VAL  14   2.574  18.181  -7.014
  116   HG11  VAL  14          HG11      VAL  14   3.413  19.415  -5.044
  117   HG12  VAL  14          HG12      VAL  14   4.148  19.979  -6.537
  118   HG13  VAL  14          HG13      VAL  14   2.857  20.938  -5.775
  119   HG21  VAL  14          HG21      VAL  14   0.147  18.389  -6.419
  120   HG22  VAL  14          HG22      VAL  14   1.202  18.376  -5.000
  121   HG23  VAL  14          HG23      VAL  14   0.515  19.906  -5.585
  122    H    VAL  15           H        VAL  15   3.864  18.648  -9.144
  123    HA   VAL  15           HA       VAL  15   5.486  20.983  -9.073
  124    HB   VAL  15           HB       VAL  15   6.117  18.533  -8.794
  125   HG11  VAL  15          HG11      VAL  15   6.979  17.300 -10.642
  126   HG12  VAL  15          HG12      VAL  15   5.354  17.813 -11.100
  127   HG13  VAL  15          HG13      VAL  15   6.760  18.661 -11.765
  128   HG21  VAL  15          HG21      VAL  15   7.683  20.389  -8.563
  129   HG22  VAL  15          HG22      VAL  15   8.446  18.980  -9.291
  130   HG23  VAL  15          HG23      VAL  15   8.006  20.358 -10.314
  131    H    THR  16           H        THR  16   3.456  19.823 -11.656
  132    HA   THR  16           HA       THR  16   4.730  21.585 -13.685
  133    HB   THR  16           HB       THR  16   2.934  20.815 -15.187
  134    HG1  THR  16           HG1      THR  16   2.306  18.951 -13.175
  135   HG21  THR  16          HG21      THR  16   5.063  19.596 -15.130
  136   HG22  THR  16          HG22      THR  16   4.465  18.548 -13.827
  137   HG23  THR  16          HG23      THR  16   3.711  18.494 -15.435
  138    H    SER  17           H        SER  17   1.792  21.583 -11.617
  139    HA   SER  17           HA       SER  17   0.699  24.021 -12.683
  140    HB2  SER  17           HB2      SER  17  -0.529  22.445 -11.229
  141    HB3  SER  17           HB3      SER  17   0.531  22.868  -9.868
  142    HG   SER  17           HG       SER  17  -1.526  24.008  -9.949
  143    H    HIS  18           H        HIS  18   3.200  23.437 -10.177
  144    HA   HIS  18           HA       HIS  18   4.262  26.132 -10.591
  145    HB2  HIS  18           HB2      HIS  18   4.238  26.492  -8.038
  146    HB3  HIS  18           HB3      HIS  18   2.804  26.864  -8.967
  147    HD1  HIS  18           HD1      HIS  18   0.592  25.708  -8.225
  148    HD2  HIS  18           HD2      HIS  18   4.073  23.995  -6.603
  149    HE1  HIS  18           HE1      HIS  18  -0.186  24.036  -6.468
  150    H    LYS  19           H        LYS  19   6.412  26.150 -10.489
  151    HA   LYS  19           HA       LYS  19   7.826  23.704  -9.624
  152    HB2  LYS  19           HB2      LYS  19   8.665  26.189 -11.183
  153    HB3  LYS  19           HB3      LYS  19   9.787  24.898 -10.730
  154    HG2  LYS  19           HG2      LYS  19   8.357  23.239 -11.926
  155    HG3  LYS  19           HG3      LYS  19   7.292  24.551 -12.463
  156    HD2  LYS  19           HD2      LYS  19   9.147  25.595 -13.692
  157    HD3  LYS  19           HD3      LYS  19  10.275  24.365 -13.069
  158    HE2  LYS  19           HE2      LYS  19   8.845  22.591 -14.163
  159    HE3  LYS  19           HE3      LYS  19   7.857  23.871 -14.884
  160    HZ1  LYS  19           HZ1      LYS  19  10.770  23.473 -15.348
  161    HZ2  LYS  19           HZ2      LYS  19   9.601  23.061 -16.396
  162    HZ3  LYS  19           HZ3      LYS  19   9.853  24.649 -16.062
  163    H    VAL  20           H        VAL  20   9.858  23.873  -8.430
  164    HA   VAL  20           HA       VAL  20  11.018  24.235  -6.528
  165    HB   VAL  20           HB       VAL  20  10.110  27.148  -6.574
  166   HG11  VAL  20          HG11      VAL  20  11.139  26.393  -4.435
  167   HG12  VAL  20          HG12      VAL  20  12.531  25.759  -5.331
  168   HG13  VAL  20          HG13      VAL  20  12.199  27.504  -5.311
  169   HG21  VAL  20          HG21      VAL  20  12.265  27.565  -7.743
  170   HG22  VAL  20          HG22      VAL  20  12.526  25.812  -7.888
  171   HG23  VAL  20          HG23      VAL  20  11.171  26.593  -8.729
  172    H    VAL  21           H        VAL  21   9.801  22.768  -5.359
  173    HA   VAL  21           HA       VAL  21   7.460  23.851  -3.817
  174    HB   VAL  21           HB       VAL  21   7.894  20.984  -4.718
  175   HG11  VAL  21          HG11      VAL  21   5.486  22.415  -3.490
  176   HG12  VAL  21          HG12      VAL  21   5.506  20.733  -4.068
  177   HG13  VAL  21          HG13      VAL  21   6.494  21.199  -2.676
  178   HG21  VAL  21          HG21      VAL  21   6.119  23.164  -5.900
  179   HG22  VAL  21          HG22      VAL  21   7.482  22.352  -6.706
  180   HG23  VAL  21          HG23      VAL  21   6.022  21.441  -6.321
  181    H    LEU  22           H        LEU  22   7.617  23.811  -1.667
  182    HA   LEU  22           HA       LEU  22   9.638  22.029  -0.348
  183    HB2  LEU  22           HB2      LEU  22   9.977  24.411  -0.147
  184    HB3  LEU  22           HB3      LEU  22   8.364  24.675   0.452
  185    HG   LEU  22           HG       LEU  22  10.337  24.782   2.052
  186   HD11  LEU  22          HD11      LEU  22   9.074  23.937   3.937
  187   HD12  LEU  22          HD12      LEU  22   7.986  24.751   2.795
  188   HD13  LEU  22          HD13      LEU  22   8.033  22.976   2.870
  189   HD21  LEU  22          HD21      LEU  22  11.223  22.825   3.073
  190   HD22  LEU  22          HD22      LEU  22  10.088  21.763   2.225
  191   HD23  LEU  22          HD23      LEU  22  11.378  22.587   1.321
  192    H    PHE  23           H        PHE  23   8.948  20.279   0.637
  193    HA   PHE  23           HA       PHE  23   6.066  19.964   1.343
  194    HB2  PHE  23           HB2      PHE  23   8.377  18.033   0.942
  195    HB3  PHE  23           HB3      PHE  23   6.856  17.551   1.666
  196    HD1  PHE  23           HD1      PHE  23   8.405  18.807  -1.495
  197    HD2  PHE  23           HD2      PHE  23   4.851  17.220   0.372
  198    HE1  PHE  23           HE1      PHE  23   7.345  18.492  -3.737
  199    HE2  PHE  23           HE2      PHE  23   3.833  16.879  -1.865
  200    HZ   PHE  23           HZ       PHE  23   5.078  17.532  -3.914
  201    H    MET  24           H        MET  24   5.463  20.308   3.394
  202    HA   MET  24           HA       MET  24   7.153  19.643   5.705
  203    HB2  MET  24           HB2      MET  24   7.200  21.891   6.654
  204    HB3  MET  24           HB3      MET  24   7.956  21.920   5.066
  205    HG2  MET  24           HG2      MET  24   5.932  22.884   4.076
  206    HG3  MET  24           HG3      MET  24   5.091  22.801   5.627
  207    HE1  MET  24           HE1      MET  24   5.279  25.084   3.760
  208    HE2  MET  24           HE2      MET  24   4.629  25.698   5.305
  209    HE3  MET  24           HE3      MET  24   5.984  26.542   4.484
  210    H    LYS  25           H        LYS  25   5.783  20.606   7.787
  211    HA   LYS  25           HA       LYS  25   3.133  19.356   7.598
  212    HB2  LYS  25           HB2      LYS  25   4.515  20.775   9.915
  213    HB3  LYS  25           HB3      LYS  25   3.060  19.777  10.015
  214    HG2  LYS  25           HG2      LYS  25   4.385  17.815   9.184
  215    HG3  LYS  25           HG3      LYS  25   5.849  18.814   9.234
  216    HD2  LYS  25           HD2      LYS  25   5.496  19.204  11.661
  217    HD3  LYS  25           HD3      LYS  25   4.055  18.160  11.616
  218    HE2  LYS  25           HE2      LYS  25   5.464  16.259  10.841
  219    HE3  LYS  25           HE3      LYS  25   6.895  17.294  10.879
  220    HZ1  LYS  25           HZ1      LYS  25   6.570  17.548  13.281
  221    HZ2  LYS  25           HZ2      LYS  25   5.245  16.588  13.249
  222    HZ3  LYS  25           HZ3      LYS  25   6.717  15.964  12.895
  223    H    GLY  26           H        GLY  26   3.203  21.585   5.856
  224    HA2  GLY  26           HA2      GLY  26   0.950  23.189   6.473
  225    HA3  GLY  26           HA3      GLY  26   2.347  24.068   7.063
  226    H    THR  27           H        THR  27   1.309  25.558   5.392
  227    HA   THR  27           HA       THR  27   2.707  25.305   2.761
  228    HB   THR  27           HB       THR  27   0.770  26.257   1.622
  229    HG1  THR  27           HG1      THR  27  -1.203  26.369   2.867
  230   HG21  THR  27          HG21      THR  27   0.928  23.748   1.889
  231   HG22  THR  27          HG22      THR  27  -0.223  23.877   3.241
  232   HG23  THR  27          HG23      THR  27  -0.704  24.379   1.608
  233    H    LYS  28           H        LYS  28   2.284  27.645   1.640
  234    HA   LYS  28           HA       LYS  28   3.823  29.515   3.134
  235    HB2  LYS  28           HB2      LYS  28   3.497  31.003   1.265
  236    HB3  LYS  28           HB3      LYS  28   3.801  29.369   0.678
  237    HG2  LYS  28           HG2      LYS  28   1.373  29.067   0.234
  238    HG3  LYS  28           HG3      LYS  28   1.045  30.690   0.872
  239    HD2  LYS  28           HD2      LYS  28   2.453  31.684  -0.911
  240    HD3  LYS  28           HD3      LYS  28   2.799  30.056  -1.538
  241    HE2  LYS  28           HE2      LYS  28   0.364  29.694  -1.922
  242    HE3  LYS  28           HE3      LYS  28   0.027  31.329  -1.328
  243    HZ1  LYS  28           HZ1      LYS  28   1.364  32.188  -3.178
  244    HZ2  LYS  28           HZ2      LYS  28   1.672  30.661  -3.716
  245    HZ3  LYS  28           HZ3      LYS  28   0.146  31.260  -3.748
  246    H    ASP  29           H        ASP  29   0.492  28.903   3.488
  247    HA   ASP  29           HA       ASP  29  -0.391  31.514   4.415
  248    HB2  ASP  29           HB2      ASP  29  -1.906  29.698   3.651
  249    HB3  ASP  29           HB3      ASP  29  -1.401  28.709   5.021
  250    H    PHE  30           H        PHE  30   1.320  28.793   5.879
  251    HA   PHE  30           HA       PHE  30   2.237  30.485   8.040
  252    HB2  PHE  30           HB2      PHE  30   0.129  29.688   9.027
  253    HB3  PHE  30           HB3      PHE  30   0.618  28.018   8.771
  254    HD1  PHE  30           HD1      PHE  30   1.676  31.209  10.467
  255    HD2  PHE  30           HD2      PHE  30   1.888  26.897  10.467
  256    HE1  PHE  30           HE1      PHE  30   2.870  31.264  12.643
  257    HE2  PHE  30           HE2      PHE  30   3.082  26.960  12.641
  258    HZ   PHE  30           HZ       PHE  30   3.576  29.142  13.731
  259    HA   PRO  31           HA       PRO  31   5.406  27.611   6.352
  260    HB2  PRO  31           HB2      PRO  31   7.114  29.897   7.314
  261    HB3  PRO  31           HB3      PRO  31   7.261  28.920   5.816
  262    HG2  PRO  31           HG2      PRO  31   6.190  31.412   5.730
  263    HG3  PRO  31           HG3      PRO  31   5.450  30.077   4.790
  264    HD2  PRO  31           HD2      PRO  31   4.584  31.180   7.483
  265    HD3  PRO  31           HD3      PRO  31   3.588  30.788   6.051
  266    H    GLN  32           H        GLN  32   6.481  26.074   7.563
  267    HA   GLN  32           HA       GLN  32   6.083  26.258  10.456
  268    HB2  GLN  32           HB2      GLN  32   6.967  24.006   8.614
  269    HB3  GLN  32           HB3      GLN  32   6.854  23.831  10.362
  270    HG2  GLN  32           HG2      GLN  32   4.509  24.643   8.572
  271    HG3  GLN  32           HG3      GLN  32   4.866  23.000   9.081
  272   HE21  GLN  32          HE22      GLN  32   2.522  23.239   9.989
  273   HE22  GLN  32          HE21      GLN  32   2.412  23.900  11.614
  274    H    CYS  33           H        CYS  33   7.479  26.549  11.963
  275    HA   CYS  33           HA       CYS  33   9.753  28.002  11.558
  276    HB2  CYS  33           HB2      CYS  33   8.977  26.351  14.001
  277    HB3  CYS  33           HB3      CYS  33  10.077  27.737  14.008
  278    HG   CYS  33           HG       CYS  33   8.339  29.505  13.096
  279    H    GLY  34           H        GLY  34  11.948  27.807  12.006
  280    HA2  GLY  34           HA2      GLY  34  14.040  26.817  12.251
  281    HA3  GLY  34           HA3      GLY  34  13.251  25.249  12.501
  282    H    PHE  35           H        PHE  35  13.671  23.821  11.024
  283    HA   PHE  35           HA       PHE  35  15.345  23.990   8.844
  284    HB2  PHE  35           HB2      PHE  35  14.574  22.029  10.187
  285    HB3  PHE  35           HB3      PHE  35  13.042  22.045   9.363
  286    HD1  PHE  35           HD2      PHE  35  13.281  21.858   6.622
  287    HD2  PHE  35           HD1      PHE  35  16.109  20.443   9.562
  288    HE1  PHE  35           HE2      PHE  35  14.013  20.076   5.070
  289    HE2  PHE  35           HE1      PHE  35  16.802  18.643   8.016
  290    HZ   PHE  35           HZ       PHE  35  15.705  18.411   5.797
  291    H    SER  36           H        SER  36  11.753  23.655   8.507
  292    HA   SER  36           HA       SER  36  11.748  24.077   5.678
  293    HB2  SER  36           HB2      SER  36   9.214  24.661   6.379
  294    HB3  SER  36           HB3      SER  36   9.852  23.018   6.274
  295    HG   SER  36           HG       SER  36   9.389  24.573   8.616
  296    H    GLN  37           H        GLN  37  11.009  26.394   8.358
  297    HA   GLN  37           HA       GLN  37  10.428  28.630   6.766
  298    HB2  GLN  37           HB2      GLN  37  10.425  28.255   9.378
  299    HB3  GLN  37           HB3      GLN  37  12.040  28.942   9.313
  300    HG2  GLN  37           HG2      GLN  37   9.432  30.204   8.353
  301    HG3  GLN  37           HG3      GLN  37  10.292  30.620   9.825
  302   HE21  GLN  37          HE22      GLN  37   9.575  32.047   7.043
  303   HE22  GLN  37          HE21      GLN  37  11.073  32.889   6.724
  304    H    THR  38           H        THR  38  13.635  27.509   7.958
  305    HA   THR  38           HA       THR  38  15.219  29.463   6.658
  306    HB   THR  38           HB       THR  38  15.979  26.602   7.375
  307    HG1  THR  38           HG1      THR  38  15.269  27.643   9.166
  308   HG21  THR  38          HG21      THR  38  17.671  27.611   5.940
  309   HG22  THR  38          HG22      THR  38  17.644  29.116   6.890
  310   HG23  THR  38          HG23      THR  38  18.263  27.608   7.605
  311    H    VAL  39           H        VAL  39  14.259  26.191   5.485
  312    HA   VAL  39           HA       VAL  39  15.506  26.421   2.959
  313    HB   VAL  39           HB       VAL  39  13.019  24.875   3.732
  314   HG11  VAL  39          HG11      VAL  39  14.502  24.890   1.065
  315   HG12  VAL  39          HG12      VAL  39  13.439  23.573   1.592
  316   HG13  VAL  39          HG13      VAL  39  12.769  25.188   1.339
  317   HG21  VAL  39          HG21      VAL  39  14.529  22.951   3.636
  318   HG22  VAL  39          HG22      VAL  39  15.850  23.982   3.054
  319   HG23  VAL  39          HG23      VAL  39  15.234  24.173   4.700
  320    H    VAL  40           H        VAL  40  12.079  27.491   3.772
  321    HA   VAL  40           HA       VAL  40  11.728  28.487   1.096
  322    HB   VAL  40           HB       VAL  40   9.765  29.570   1.802
  323   HG11  VAL  40          HG11      VAL  40   8.436  27.654   2.597
  324   HG12  VAL  40          HG12      VAL  40   9.640  27.155   1.388
  325   HG13  VAL  40          HG13      VAL  40   9.906  26.842   3.122
  326   HG21  VAL  40          HG21      VAL  40  10.293  28.851   4.671
  327   HG22  VAL  40          HG22      VAL  40  10.352  30.500   3.996
  328   HG23  VAL  40          HG23      VAL  40   8.827  29.610   4.023
  329    H    GLN  41           H        GLN  41  12.954  30.023   4.073
  330    HA   GLN  41           HA       GLN  41  13.030  32.721   3.155
  331    HB2  GLN  41           HB2      GLN  41  13.253  31.905   5.525
  332    HB3  GLN  41           HB3      GLN  41  14.867  31.293   5.133
  333    HG2  GLN  41           HG2      GLN  41  15.414  33.746   4.470
  334    HG3  GLN  41           HG3      GLN  41  13.891  34.167   5.265
  335   HE21  GLN  41          HE22      GLN  41  13.972  32.489   7.636
  336   HE22  GLN  41          HE21      GLN  41  15.397  32.979   8.531
  337    H    ILE  42           H        ILE  42  15.519  30.098   2.966
  338    HA   ILE  42           HA       ILE  42  17.557  31.684   1.733
  339    HB   ILE  42           HB       ILE  42  16.978  28.700   1.694
  340   HG12  ILE  42          HG12      ILE  42  19.249  30.303   2.973
  341   HG13  ILE  42          HG13      ILE  42  17.762  29.927   3.821
  342   HG21  ILE  42          HG21      ILE  42  19.355  30.182   0.475
  343   HG22  ILE  42          HG22      ILE  42  19.289  28.427   0.717
  344   HG23  ILE  42          HG23      ILE  42  18.172  29.187  -0.401
  345   HD11  ILE  42          HD11      ILE  42  18.207  27.475   3.472
  346   HD12  ILE  42          HD12      ILE  42  19.799  27.907   2.804
  347   HD13  ILE  42          HD13      ILE  42  19.401  28.327   4.476
  348    H    LEU  43           H        LEU  43  15.046  29.656   0.098
  349    HA   LEU  43           HA       LEU  43  15.796  30.315  -2.581
  350    HB2  LEU  43           HB2      LEU  43  13.109  29.653  -1.278
  351    HB3  LEU  43           HB3      LEU  43  13.311  29.790  -3.014
  352    HG   LEU  43           HG       LEU  43  14.923  27.801  -1.351
  353   HD11  LEU  43          HD11      LEU  43  12.587  27.290  -0.995
  354   HD12  LEU  43          HD12      LEU  43  12.226  27.488  -2.719
  355   HD13  LEU  43          HD13      LEU  43  13.226  26.126  -2.169
  356   HD21  LEU  43          HD21      LEU  43  15.151  26.676  -3.583
  357   HD22  LEU  43          HD22      LEU  43  14.318  28.044  -4.340
  358   HD23  LEU  43          HD23      LEU  43  15.895  28.280  -3.551
  359    H    LYS  44           H        LYS  44  13.298  31.796  -0.524
  360    HA   LYS  44           HA       LYS  44  12.441  33.889  -2.154
  361    HB2  LYS  44           HB2      LYS  44  11.404  33.099  -0.106
  362    HB3  LYS  44           HB3      LYS  44  12.743  33.713   0.870
  363    HG2  LYS  44           HG2      LYS  44  12.133  36.016   0.337
  364    HG3  LYS  44           HG3      LYS  44  10.883  35.460  -0.807
  365    HD2  LYS  44           HD2      LYS  44   9.669  34.342   1.027
  366    HD3  LYS  44           HD3      LYS  44  10.960  34.739   2.158
  367    HE2  LYS  44           HE2      LYS  44   9.136  36.221   2.567
  368    HE3  LYS  44           HE3      LYS  44  10.490  37.151   1.915
  369    HZ1  LYS  44           HZ1      LYS  44   8.117  36.259   0.349
  370    HZ2  LYS  44           HZ2      LYS  44   8.362  37.774   0.905
  371    HZ3  LYS  44           HZ3      LYS  44   9.349  37.164  -0.244
  372    H    SER  45           H        SER  45  14.932  34.176   0.397
  373    HA   SER  45           HA       SER  45  15.715  36.838  -0.316
  374    HB2  SER  45           HB2      SER  45  17.451  36.584   1.371
  375    HB3  SER  45           HB3      SER  45  15.885  36.015   1.960
  376    HG   SER  45           HG       SER  45  16.545  33.905   1.695
  377    H    LEU  46           H        LEU  46  17.106  33.698  -1.350
  378    HA   LEU  46           HA       LEU  46  19.466  34.687  -2.585
  379    HB2  LEU  46           HB2      LEU  46  18.995  32.316  -2.222
  380    HB3  LEU  46           HB3      LEU  46  17.567  32.405  -3.259
  381    HG   LEU  46           HG       LEU  46  18.991  32.757  -5.239
  382   HD11  LEU  46          HD11      LEU  46  20.958  33.858  -4.175
  383   HD12  LEU  46          HD12      LEU  46  21.340  32.342  -3.327
  384   HD13  LEU  46          HD13      LEU  46  21.434  32.428  -5.094
  385   HD21  LEU  46          HD21      LEU  46  19.757  30.350  -3.530
  386   HD22  LEU  46          HD22      LEU  46  18.280  30.499  -4.510
  387   HD23  LEU  46          HD23      LEU  46  19.866  30.443  -5.291
  388    H    ASN  47           H        ASN  47  16.134  34.649  -3.565
  389    HA   ASN  47           HA       ASN  47  15.155  36.563  -4.508
  390    HB2  ASN  47           HB2      ASN  47  17.268  37.702  -5.123
  391    HB3  ASN  47           HB3      ASN  47  17.337  36.717  -6.597
  392   HD21  ASN  47          HD22      ASN  47  15.039  38.901  -4.806
  393   HD22  ASN  47          HD21      ASN  47  14.406  39.629  -6.272
  394    H    ALA  48           H        ALA  48  14.070  34.390  -4.464
  395    HA   ALA  48           HA       ALA  48  13.257  33.705  -7.246
  396    HB1  ALA  48           HB1      ALA  48  14.395  31.617  -5.335
  397    HB2  ALA  48           HB2      ALA  48  13.734  31.308  -6.943
  398    HB3  ALA  48           HB3      ALA  48  15.218  32.262  -6.769
  399    HA   PRO  49           HA       PRO  49   9.320  32.893  -5.255
  400    HB2  PRO  49           HB2      PRO  49   7.994  31.521  -7.190
  401    HB3  PRO  49           HB3      PRO  49   8.426  33.249  -7.380
  402    HG2  PRO  49           HG2      PRO  49   9.926  30.820  -8.428
  403    HG3  PRO  49           HG3      PRO  49   9.438  32.286  -9.338
  404    HD2  PRO  49           HD2      PRO  49  11.936  31.991  -8.270
  405    HD3  PRO  49           HD3      PRO  49  11.125  33.585  -8.334
  406    H    PHE  50           H        PHE  50   8.028  31.103  -4.473
  407    HA   PHE  50           HA       PHE  50   8.917  28.362  -4.793
  408    HB2  PHE  50           HB2      PHE  50   9.511  27.873  -2.566
  409    HB3  PHE  50           HB3      PHE  50  10.413  29.331  -2.936
  410    HD1  PHE  50           HD2      PHE  50   9.638  31.555  -2.032
  411    HD2  PHE  50           HD1      PHE  50   7.848  27.825  -0.805
  412    HE1  PHE  50           HE2      PHE  50   8.561  32.699  -0.120
  413    HE2  PHE  50           HE1      PHE  50   6.748  28.978   1.099
  414    HZ   PHE  50           HZ       PHE  50   7.092  31.420   1.442
  415    H    GLU  51           H        GLU  51   7.455  26.852  -3.813
  416    HA   GLU  51           HA       GLU  51   4.896  27.865  -2.720
  417    HB2  GLU  51           HB2      GLU  51   5.219  25.967  -5.084
  418    HB3  GLU  51           HB3      GLU  51   3.790  25.918  -4.060
  419    HG2  GLU  51           HG2      GLU  51   4.744  28.335  -5.643
  420    HG3  GLU  51           HG3      GLU  51   3.404  27.273  -6.060
  421    H    SER  52           H        SER  52   3.697  25.887  -1.688
  422    HA   SER  52           HA       SER  52   5.520  23.797  -0.825
  423    HB2  SER  52           HB2      SER  52   5.283  24.345   1.627
  424    HB3  SER  52           HB3      SER  52   6.314  25.441   0.701
  425    HG   SER  52           HG       SER  52   4.692  26.951   0.670
  426    H    VAL  53           H        VAL  53   4.642  22.180   0.553
  427    HA   VAL  53           HA       VAL  53   1.674  21.826   0.196
  428    HB   VAL  53           HB       VAL  53   3.891  19.877  -0.538
  429   HG11  VAL  53          HG11      VAL  53   2.071  18.576   0.446
  430   HG12  VAL  53          HG12      VAL  53   0.862  19.470  -0.515
  431   HG13  VAL  53          HG13      VAL  53   2.017  18.376  -1.304
  432   HG21  VAL  53          HG21      VAL  53   3.490  21.579  -2.281
  433   HG22  VAL  53          HG22      VAL  53   2.925  19.996  -2.813
  434   HG23  VAL  53          HG23      VAL  53   1.752  21.211  -2.260
  435    H    ASN  54           H        ASN  54   0.644  20.987   1.881
  436    HA   ASN  54           HA       ASN  54   2.079  20.435   4.344
  437    HB2  ASN  54           HB2      ASN  54   0.026  21.738   4.356
  438    HB3  ASN  54           HB3      ASN  54  -0.872  20.385   3.681
  439   HD21  ASN  54          HD22      ASN  54  -2.239  20.703   5.646
  440   HD22  ASN  54          HD21      ASN  54  -1.704  19.990   7.170
  441    H    ILE  55           H        ILE  55   3.128  18.522   4.469
  442    HA   ILE  55           HA       ILE  55   2.371  16.053   3.210
  443    HB   ILE  55           HB       ILE  55   4.028  14.976   4.633
  444   HG12  ILE  55          HG12      ILE  55   3.960  17.517   6.285
  445   HG13  ILE  55          HG13      ILE  55   3.642  15.864   6.775
  446   HG21  ILE  55          HG21      ILE  55   5.969  16.180   3.838
  447   HG22  ILE  55          HG22      ILE  55   4.688  16.320   2.637
  448   HG23  ILE  55          HG23      ILE  55   5.047  17.694   3.706
  449   HD11  ILE  55          HD11      ILE  55   5.762  16.520   7.650
  450   HD12  ILE  55          HD12      ILE  55   6.023  15.298   6.391
  451   HD13  ILE  55          HD13      ILE  55   6.350  17.018   6.056
  452    H    LEU  56           H        LEU  56   1.250  17.392   6.249
  453    HA   LEU  56           HA       LEU  56   0.202  14.831   7.233
  454    HB2  LEU  56           HB2      LEU  56   0.751  17.542   8.270
  455    HB3  LEU  56           HB3      LEU  56  -0.830  16.971   8.766
  456    HG   LEU  56           HG       LEU  56   0.169  14.916   9.708
  457   HD11  LEU  56          HD11      LEU  56   2.841  16.182   8.969
  458   HD12  LEU  56          HD12      LEU  56   2.633  14.746   9.992
  459   HD13  LEU  56          HD13      LEU  56   2.193  14.684   8.281
  460   HD21  LEU  56          HD21      LEU  56   1.470  17.503  10.680
  461   HD22  LEU  56          HD22      LEU  56  -0.153  16.921  11.115
  462   HD23  LEU  56          HD23      LEU  56   1.275  16.011  11.626
  463    H    GLU  57           H        GLU  57  -0.937  16.806   4.826
  464    HA   GLU  57           HA       GLU  57  -3.748  16.801   5.626
  465    HB2  GLU  57           HB2      GLU  57  -2.264  18.576   4.315
  466    HB3  GLU  57           HB3      GLU  57  -2.805  17.683   2.903
  467    HG2  GLU  57           HG2      GLU  57  -5.117  18.215   3.395
  468    HG3  GLU  57           HG3      GLU  57  -4.721  18.722   5.044
  469    H    ASN  58           H        ASN  58  -1.783  14.532   3.984
  470    HA   ASN  58           HA       ASN  58  -4.105  12.917   3.270
  471    HB2  ASN  58           HB2      ASN  58  -3.906  14.362   1.276
  472    HB3  ASN  58           HB3      ASN  58  -2.215  13.900   1.089
  473   HD21  ASN  58          HD22      ASN  58  -5.562  12.876   0.622
  474   HD22  ASN  58          HD21      ASN  58  -5.162  11.380  -0.206
  475    H    GLU  59           H        GLU  59  -3.658  10.907   3.866
  476    HA   GLU  59           HA       GLU  59  -1.143  10.091   4.827
  477    HB2  GLU  59           HB2      GLU  59  -3.449   8.272   4.008
  478    HB3  GLU  59           HB3      GLU  59  -2.127   7.898   5.110
  479    HG2  GLU  59           HG2      GLU  59  -3.667   8.403   6.672
  480    HG3  GLU  59           HG3      GLU  59  -3.078  10.046   6.426
  481    H    LEU  60           H        LEU  60  -2.640   9.317   1.637
  482    HA   LEU  60           HA       LEU  60  -0.640   7.407   0.887
  483    HB2  LEU  60           HB2      LEU  60  -2.452   9.077  -0.904
  484    HB3  LEU  60           HB3      LEU  60  -1.565   7.634  -1.375
  485    HG   LEU  60           HG       LEU  60  -3.902   7.777   0.581
  486   HD11  LEU  60          HD11      LEU  60  -5.056   6.441  -1.128
  487   HD12  LEU  60          HD12      LEU  60  -4.481   7.966  -1.820
  488   HD13  LEU  60          HD13      LEU  60  -3.601   6.455  -2.149
  489   HD21  LEU  60          HD21      LEU  60  -2.232   5.354  -0.229
  490   HD22  LEU  60          HD22      LEU  60  -2.391   6.039   1.406
  491   HD23  LEU  60          HD23      LEU  60  -3.784   5.285   0.629
  492    H    LEU  61           H        LEU  61  -0.900  10.921   0.336
  493    HA   LEU  61           HA       LEU  61   1.561  11.200  -1.121
  494    HB2  LEU  61           HB2      LEU  61  -0.271  12.888  -0.949
  495    HB3  LEU  61           HB3      LEU  61   0.144  13.169   0.734
  496    HG   LEU  61           HG       LEU  61   0.882  14.905  -0.867
  497   HD11  LEU  61          HD11      LEU  61   3.321  13.691   0.482
  498   HD12  LEU  61          HD12      LEU  61   2.994  15.387   0.105
  499   HD13  LEU  61          HD13      LEU  61   2.035  14.566   1.343
  500   HD21  LEU  61          HD21      LEU  61   1.500  13.422  -2.771
  501   HD22  LEU  61          HD22      LEU  61   2.761  14.597  -2.358
  502   HD23  LEU  61          HD23      LEU  61   2.943  12.901  -1.869
  503    H    ARG  62           H        ARG  62   0.879  11.521   2.412
  504    HA   ARG  62           HA       ARG  62   3.493  12.021   3.255
  505    HB2  ARG  62           HB2      ARG  62   1.289  12.118   4.554
  506    HB3  ARG  62           HB3      ARG  62   1.453  10.385   4.826
  507    HG2  ARG  62           HG2      ARG  62   3.621  10.760   5.978
  508    HG3  ARG  62           HG3      ARG  62   3.521  12.491   5.623
  509    HD2  ARG  62           HD2      ARG  62   2.847  12.148   7.920
  510    HD3  ARG  62           HD3      ARG  62   1.454  12.663   6.980
  511    HE   ARG  62           HE       ARG  62   0.409  10.657   7.412
  512   HH11  ARG  62          HH21      ARG  62   3.816  10.208   8.299
  513   HH12  ARG  62          HH22      ARG  62   3.500   8.672   9.052
  514   HH21  ARG  62          HH12      ARG  62   0.095   8.655   8.379
  515   HH22  ARG  62          HH11      ARG  62   1.433   7.807   9.084
  516    H    GLN  63           H        GLN  63   1.919   8.792   2.980
  517    HA   GLN  63           HA       GLN  63   4.256   7.299   3.822
  518    HB2  GLN  63           HB2      GLN  63   1.869   6.590   4.072
  519    HB3  GLN  63           HB3      GLN  63   1.731   6.450   2.316
  520    HG2  GLN  63           HG2      GLN  63   3.470   4.687   2.310
  521    HG3  GLN  63           HG3      GLN  63   3.675   4.868   4.061
  522   HE21  GLN  63          HE22      GLN  63   1.625   4.413   5.438
  523   HE22  GLN  63          HE21      GLN  63   0.578   3.139   4.832
  524    H    GLY  64           H        GLY  64   2.835   8.114   0.613
  525    HA2  GLY  64           HA2      GLY  64   4.584   6.413  -0.885
  526    HA3  GLY  64           HA3      GLY  64   3.511   7.696  -1.500
  527    H    LEU  65           H        LEU  65   4.707   9.963  -0.229
  528    HA   LEU  65           HA       LEU  65   6.841  10.542  -2.016
  529    HB2  LEU  65           HB2      LEU  65   5.345  12.209  -0.980
  530    HB3  LEU  65           HB3      LEU  65   6.027  11.865   0.608
  531    HG   LEU  65           HG       LEU  65   8.215  12.759  -0.116
  532   HD11  LEU  65          HD11      LEU  65   8.395  14.018  -2.267
  533   HD12  LEU  65          HD12      LEU  65   8.196  12.282  -2.526
  534   HD13  LEU  65          HD13      LEU  65   6.811  13.379  -2.755
  535   HD21  LEU  65          HD21      LEU  65   7.527  15.126  -0.258
  536   HD22  LEU  65          HD22      LEU  65   5.873  14.623  -0.670
  537   HD23  LEU  65          HD23      LEU  65   6.555  14.247   0.931
  538    H    LYS  66           H        LYS  66   6.922   9.195   1.265
  539    HA   LYS  66           HA       LYS  66   9.746   9.468   1.715
  540    HB2  LYS  66           HB2      LYS  66   7.867   8.949   3.389
  541    HB3  LYS  66           HB3      LYS  66   7.921   7.277   2.806
  542    HG2  LYS  66           HG2      LYS  66  10.331   7.160   3.448
  543    HG3  LYS  66           HG3      LYS  66  10.255   8.849   3.990
  544    HD2  LYS  66           HD2      LYS  66   8.548   8.225   5.690
  545    HD3  LYS  66           HD3      LYS  66   8.663   6.527   5.161
  546    HE2  LYS  66           HE2      LYS  66  11.076   6.498   5.729
  547    HE3  LYS  66           HE3      LYS  66  10.996   8.197   6.215
  548    HZ1  LYS  66           HZ1      LYS  66   9.516   5.981   7.535
  549    HZ2  LYS  66           HZ2      LYS  66  10.849   6.722   8.130
  550    HZ3  LYS  66           HZ3      LYS  66   9.451   7.559   7.983
  551    H    GLU  67           H        GLU  67   7.843   6.912   0.088
  552    HA   GLU  67           HA       GLU  67  10.134   5.207  -0.483
  553    HB2  GLU  67           HB2      GLU  67   7.710   4.471  -0.323
  554    HB3  GLU  67           HB3      GLU  67   7.410   5.310  -1.839
  555    HG2  GLU  67           HG2      GLU  67   7.715   2.985  -2.320
  556    HG3  GLU  67           HG3      GLU  67   9.109   3.841  -2.961
  557    H    TYR  68           H        TYR  68   8.215   7.579  -2.385
  558    HA   TYR  68           HA       TYR  68   9.504   7.394  -4.862
  559    HB2  TYR  68           HB2      TYR  68   7.369   8.538  -4.211
  560    HB3  TYR  68           HB3      TYR  68   8.296   9.851  -3.524
  561    HD1  TYR  68           HD2      TYR  68   9.872  11.189  -5.147
  562    HD2  TYR  68           HD1      TYR  68   6.630   8.635  -6.416
  563    HE1  TYR  68           HE2      TYR  68   9.759  12.416  -7.296
  564    HE2  TYR  68           HE1      TYR  68   6.480   9.903  -8.556
  565    HH   TYR  68           HH       TYR  68   8.613  12.694  -9.305
  566    H    SER  69           H        SER  69  10.284   9.600  -2.164
  567    HA   SER  69           HA       SER  69  12.684  10.653  -3.579
  568    HB2  SER  69           HB2      SER  69  12.834  12.213  -1.722
  569    HB3  SER  69           HB3      SER  69  11.204  12.217  -2.409
  570    HG   SER  69           HG       SER  69  10.494  10.981  -0.616
  571    H    SER  70           H        SER  70  12.049   8.185  -1.188
  572    HA   SER  70           HA       SER  70  13.323   6.899   0.169
  573    HB2  SER  70           HB2      SER  70  15.755   7.854  -1.385
  574    HB3  SER  70           HB3      SER  70  15.671   6.479  -0.283
  575    HG   SER  70           HG       SER  70  14.071   6.745  -2.617
  576    H    TRP  71           H        TRP  71  13.185  10.109   0.460
  577    HA   TRP  71           HA       TRP  71  15.353  10.797   2.159
  578    HB2  TRP  71           HB2      TRP  71  13.969  12.344   0.801
  579    HB3  TRP  71           HB3      TRP  71  12.601  12.061   1.874
  580    HD1  TRP  71           HD1      TRP  71  12.455  13.538   3.969
  581    HE1  TRP  71           HE1      TRP  71  13.943  15.256   5.142
  582    HE3  TRP  71           HE3      TRP  71  16.670  13.019   1.113
  583    HZ2  TRP  71           HZ2      TRP  71  16.677  16.193   4.954
  584    HZ3  TRP  71           HZ3      TRP  71  18.721  14.308   1.660
  585    HH2  TRP  71           HH2      TRP  71  18.747  15.874   3.594
  586    HA   PRO  72           HA       PRO  72  14.008   8.673   5.756
  587    HB2  PRO  72           HB2      PRO  72  15.653   9.679   7.711
  588    HB3  PRO  72           HB3      PRO  72  16.212   8.630   6.370
  589    HG2  PRO  72           HG2      PRO  72  16.320  11.658   6.543
  590    HG3  PRO  72           HG3      PRO  72  17.630  10.531   6.069
  591    HD2  PRO  72           HD2      PRO  72  16.119  11.797   4.206
  592    HD3  PRO  72           HD3      PRO  72  16.647  10.107   3.972
  593    H    THR  73           H        THR  73  14.202  12.244   6.332
  594    HA   THR  73           HA       THR  73  11.658  12.151   7.871
  595    HB   THR  73           HB       THR  73  12.667  13.551   9.664
  596    HG1  THR  73           HG1      THR  73  14.484  14.071   8.318
  597   HG21  THR  73          HG21      THR  73  12.357  11.090  10.001
  598   HG22  THR  73          HG22      THR  73  14.036  10.835   9.480
  599   HG23  THR  73          HG23      THR  73  13.692  11.785  10.936
  600    H    PHE  74           H        PHE  74  10.416  13.554   6.848
  601    HA   PHE  74           HA       PHE  74  11.202  15.805   5.323
  602    HB2  PHE  74           HB2      PHE  74   8.593  15.382   6.822
  603    HB3  PHE  74           HB3      PHE  74   8.815  16.348   5.377
  604    HD1  PHE  74           HD1      PHE  74  10.131  14.792   3.402
  605    HD2  PHE  74           HD2      PHE  74   7.373  13.428   6.427
  606    HE1  PHE  74           HE1      PHE  74   9.519  12.836   1.989
  607    HE2  PHE  74           HE2      PHE  74   6.730  11.520   4.986
  608    HZ   PHE  74           HZ       PHE  74   7.789  11.240   2.757
  609    HA   PRO  75           HA       PRO  75   9.707  18.289   5.231
  610    HB2  PRO  75           HB2      PRO  75  11.655  20.545   5.552
  611    HB3  PRO  75           HB3      PRO  75   9.917  20.616   5.199
  612    HG2  PRO  75           HG2      PRO  75  10.836  21.219   7.661
  613    HG3  PRO  75           HG3      PRO  75   9.351  20.225   7.480
  614    HD2  PRO  75           HD2      PRO  75  12.192  19.281   7.987
  615    HD3  PRO  75           HD3      PRO  75  10.686  18.827   8.832
  616    H    GLN  76           H        GLN  76  10.539  19.096   3.051
  617    HA   GLN  76           HA       GLN  76  13.347  19.022   2.481
  618    HB2  GLN  76           HB2      GLN  76  13.523  17.247   0.909
  619    HB3  GLN  76           HB3      GLN  76  13.003  16.572   2.441
  620    HG2  GLN  76           HG2      GLN  76  10.677  16.417   1.608
  621    HG3  GLN  76           HG3      GLN  76  11.165  17.126   0.064
  622   HE21  GLN  76          HE22      GLN  76   9.950  14.502   0.370
  623   HE22  GLN  76          HE21      GLN  76  11.181  13.323  -0.112
  624    H    LEU  77           H        LEU  77  13.910  19.768   0.440
  625    HA   LEU  77           HA       LEU  77  11.902  21.360  -1.021
  626    HB2  LEU  77           HB2      LEU  77  14.340  21.969  -0.136
  627    HB3  LEU  77           HB3      LEU  77  14.879  21.154  -1.576
  628    HG   LEU  77           HG       LEU  77  13.149  23.657  -1.379
  629   HD11  LEU  77          HD11      LEU  77  15.155  24.784  -2.257
  630   HD12  LEU  77          HD12      LEU  77  15.569  23.885  -0.798
  631   HD13  LEU  77          HD13      LEU  77  16.003  23.238  -2.391
  632   HD21  LEU  77          HD21      LEU  77  12.418  22.696  -3.434
  633   HD22  LEU  77          HD22      LEU  77  13.619  23.898  -3.878
  634   HD23  LEU  77          HD23      LEU  77  14.070  22.181  -3.878
  635    H    TYR  78           H        TYR  78  11.485  21.032  -3.210
  636    HA   TYR  78           HA       TYR  78  12.334  18.554  -4.612
  637    HB2  TYR  78           HB2      TYR  78  10.412  18.128  -3.044
  638    HB3  TYR  78           HB3      TYR  78   9.490  19.357  -3.874
  639    HD1  TYR  78           HD1      TYR  78   8.849  18.989  -6.344
  640    HD2  TYR  78           HD2      TYR  78  10.376  15.881  -3.764
  641    HE1  TYR  78           HE1      TYR  78   7.837  17.255  -7.813
  642    HE2  TYR  78           HE2      TYR  78   9.359  14.157  -5.225
  643    HH   TYR  78           HH       TYR  78   8.047  13.772  -7.081
  644    H    ILE  79           H        ILE  79  12.178  18.664  -6.850
  645    HA   ILE  79           HA       ILE  79  11.167  21.113  -8.179
  646    HB   ILE  79           HB       ILE  79  13.410  21.464  -9.260
  647   HG12  ILE  79          HG12      ILE  79  14.495  19.731  -7.002
  648   HG13  ILE  79          HG13      ILE  79  14.506  19.331  -8.715
  649   HG21  ILE  79          HG21      ILE  79  13.449  22.028  -6.280
  650   HG22  ILE  79          HG22      ILE  79  14.240  22.948  -7.575
  651   HG23  ILE  79          HG23      ILE  79  12.485  22.928  -7.474
  652   HD11  ILE  79          HD11      ILE  79  15.975  21.309  -9.160
  653   HD12  ILE  79          HD12      ILE  79  16.075  21.574  -7.397
  654   HD13  ILE  79          HD13      ILE  79  16.698  20.077  -8.113
  655    H    ASP  80           H        ASP  80  10.721  20.865 -10.320
  656    HA   ASP  80           HA       ASP  80  10.399  20.031 -12.371
  657    HB2  ASP  80           HB2      ASP  80  12.901  20.100 -12.243
  658    HB3  ASP  80           HB3      ASP  80  12.893  18.376 -11.883
  659    H    GLY  81           H        GLY  81  10.545  17.662  -9.902
  660    HA2  GLY  81           HA2      GLY  81   8.557  15.941 -10.106
  661    HA3  GLY  81           HA3      GLY  81   9.460  15.431 -11.544
  662    H    GLU  82           H        GLU  82  11.644  16.497  -9.124
  663    HA   GLU  82           HA       GLU  82  11.810  13.868  -7.744
  664    HB2  GLU  82           HB2      GLU  82  14.099  15.311  -9.153
  665    HB3  GLU  82           HB3      GLU  82  14.293  13.966  -8.027
  666    HG2  GLU  82           HG2      GLU  82  12.900  12.531  -9.535
  667    HG3  GLU  82           HG3      GLU  82  12.861  13.851 -10.708
  668    H    PHE  83           H        PHE  83  13.212  13.979  -5.794
  669    HA   PHE  83           HA       PHE  83  12.768  16.469  -4.340
  670    HB2  PHE  83           HB2      PHE  83  13.349  15.369  -2.442
  671    HB3  PHE  83           HB3      PHE  83  12.570  14.108  -3.379
  672    HD1  PHE  83           HD1      PHE  83  14.253  12.566  -4.825
  673    HD2  PHE  83           HD2      PHE  83  15.407  14.977  -1.437
  674    HE1  PHE  83           HE1      PHE  83  16.322  11.230  -4.572
  675    HE2  PHE  83           HE2      PHE  83  17.476  13.639  -1.190
  676    HZ   PHE  83           HZ       PHE  83  17.944  11.765  -2.768
  677    H    PHE  84           H        PHE  84  14.348  17.778  -3.424
  678    HA   PHE  84           HA       PHE  84  17.047  17.809  -4.715
  679    HB2  PHE  84           HB2      PHE  84  15.725  19.818  -5.064
  680    HB3  PHE  84           HB3      PHE  84  15.375  19.949  -3.357
  681    HD1  PHE  84           HD2      PHE  84  17.115  20.672  -1.734
  682    HD2  PHE  84           HD1      PHE  84  17.893  20.518  -5.977
  683    HE1  PHE  84           HE2      PHE  84  19.105  22.091  -1.424
  684    HE2  PHE  84           HE1      PHE  84  19.896  21.956  -5.645
  685    HZ   PHE  84           HZ       PHE  84  20.496  22.744  -3.376
  686    H    GLY  85           H        GLY  85  15.345  17.989  -1.549
  687    HA2  GLY  85           HA2      GLY  85  16.323  16.439   0.172
  688    HA3  GLY  85           HA3      GLY  85  17.888  17.177  -0.160
  689    H    GLY  86           H        GLY  86  17.941  17.528   2.114
  690    HA2  GLY  86           HA2      GLY  86  15.913  19.095   3.480
  691    HA3  GLY  86           HA3      GLY  86  17.397  18.394   4.164
  692    H    CYS  87           H        CYS  87  16.910  20.525   5.330
  693    HA   CYS  87           HA       CYS  87  17.582  23.039   4.144
  694    HB2  CYS  87           HB2      CYS  87  16.291  22.664   6.273
  695    HB3  CYS  87           HB3      CYS  87  17.804  22.165   7.072
  696    HG   CYS  87           HG       CYS  87  19.112  24.425   6.515
  697    H    ASP  88           H        ASP  88  19.646  20.640   5.797
  698    HA   ASP  88           HA       ASP  88  22.056  22.157   5.829
  699    HB2  ASP  88           HB2      ASP  88  23.165  20.081   6.200
  700    HB3  ASP  88           HB3      ASP  88  21.673  20.095   7.125
  701    H    ILE  89           H        ILE  89  20.894  19.787   3.401
  702    HA   ILE  89           HA       ILE  89  22.913  20.261   1.420
  703    HB   ILE  89           HB       ILE  89  20.009  19.370   1.120
  704   HG12  ILE  89          HG12      ILE  89  22.615  17.765   1.139
  705   HG13  ILE  89          HG13      ILE  89  21.525  17.910   2.510
  706   HG21  ILE  89          HG21      ILE  89  20.851  20.274  -1.039
  707   HG22  ILE  89          HG22      ILE  89  22.271  19.217  -0.929
  708   HG23  ILE  89          HG23      ILE  89  20.640  18.538  -1.120
  709   HD11  ILE  89          HD11      ILE  89  19.710  16.824   1.198
  710   HD12  ILE  89          HD12      ILE  89  20.874  16.537  -0.123
  711   HD13  ILE  89          HD13      ILE  89  21.127  15.800   1.463
  712    H    THR  90           H        THR  90  19.807  21.932   1.946
  713    HA   THR  90           HA       THR  90  19.976  23.727  -0.286
  714    HB   THR  90           HB       THR  90  18.536  24.170   2.363
  715    HG1  THR  90           HG1      THR  90  17.868  22.234   1.400
  716   HG21  THR  90          HG21      THR  90  18.006  25.269  -0.432
  717   HG22  THR  90          HG22      THR  90  16.986  25.515   1.001
  718   HG23  THR  90          HG23      THR  90  18.617  26.199   0.959
  719    H    VAL  91           H        VAL  91  21.030  24.177   3.104
  720    HA   VAL  91           HA       VAL  91  22.098  26.804   2.758
  721    HB   VAL  91           HB       VAL  91  22.693  24.575   4.729
  722   HG11  VAL  91          HG11      VAL  91  23.903  26.247   6.131
  723   HG12  VAL  91          HG12      VAL  91  24.780  25.850   4.655
  724   HG13  VAL  91          HG13      VAL  91  23.881  27.385   4.763
  725   HG21  VAL  91          HG21      VAL  91  21.395  27.309   5.135
  726   HG22  VAL  91          HG22      VAL  91  20.481  25.821   4.840
  727   HG23  VAL  91          HG23      VAL  91  21.470  25.976   6.302
  728    H    GLU  92           H        GLU  92  23.748  23.579   2.426
  729    HA   GLU  92           HA       GLU  92  26.294  24.789   1.809
  730    HB2  GLU  92           HB2      GLU  92  25.223  21.986   1.347
  731    HB3  GLU  92           HB3      GLU  92  26.881  22.472   1.010
  732    HG2  GLU  92           HG2      GLU  92  25.534  22.594   3.746
  733    HG3  GLU  92           HG3      GLU  92  26.655  21.351   3.203
  734    H    ALA  93           H        ALA  93  23.630  23.616  -0.312
  735    HA   ALA  93           HA       ALA  93  25.023  24.109  -2.776
  736    HB1  ALA  93           HB1      ALA  93  22.766  23.796  -3.737
  737    HB2  ALA  93           HB2      ALA  93  23.106  22.567  -2.509
  738    HB3  ALA  93           HB3      ALA  93  22.051  23.940  -2.116
  739    H    TYR  94           H        TYR  94  23.054  26.217  -0.682
  740    HA   TYR  94           HA       TYR  94  22.938  28.497  -2.433
  741    HB2  TYR  94           HB2      TYR  94  21.456  28.322  -0.575
  742    HB3  TYR  94           HB3      TYR  94  22.765  28.063   0.561
  743    HD1  TYR  94           HD1      TYR  94  21.046  30.610  -1.527
  744    HD2  TYR  94           HD2      TYR  94  23.972  29.883   1.556
  745    HE1  TYR  94           HE1      TYR  94  21.056  33.039  -0.967
  746    HE2  TYR  94           HE2      TYR  94  23.994  32.312   2.113
  747    HH   TYR  94           HH       TYR  94  23.130  34.378   1.625
  748    H    LYS  95           H        LYS  95  25.431  27.391  -0.083
  749    HA   LYS  95           HA       LYS  95  27.117  29.735  -0.327
  750    HB2  LYS  95           HB2      LYS  95  27.693  26.871   0.526
  751    HB3  LYS  95           HB3      LYS  95  28.879  28.164   0.594
  752    HG2  LYS  95           HG2      LYS  95  27.596  29.409   2.224
  753    HG3  LYS  95           HG3      LYS  95  26.219  28.309   2.066
  754    HD2  LYS  95           HD2      LYS  95  27.699  26.419   2.819
  755    HD3  LYS  95           HD3      LYS  95  28.997  27.591   3.109
  756    HE2  LYS  95           HE2      LYS  95  27.615  28.743   4.796
  757    HE3  LYS  95           HE3      LYS  95  26.244  27.686   4.428
  758    HZ1  LYS  95           HZ1      LYS  95  27.628  25.785   5.159
  759    HZ2  LYS  95           HZ2      LYS  95  28.837  26.804   5.588
  760    HZ3  LYS  95           HZ3      LYS  95  27.401  26.872   6.377
  761    H    SER  96           H        SER  96  27.121  26.584  -2.146
  762    HA   SER  96           HA       SER  96  29.475  27.379  -3.697
  763    HB2  SER  96           HB2      SER  96  29.047  25.178  -4.788
  764    HB3  SER  96           HB3      SER  96  29.167  25.073  -3.026
  765    HG   SER  96           HG       SER  96  27.386  23.893  -3.993
  766    H    GLY  97           H        GLY  97  26.065  27.870  -4.059
  767    HA2  GLY  97           HA2      GLY  97  24.973  29.108  -5.740
  768    HA3  GLY  97           HA3      GLY  97  26.378  28.910  -6.827
  769    H    GLU  98           H        GLU  98  25.603  25.946  -5.417
  770    HA   GLU  98           HA       GLU  98  24.694  24.792  -7.929
  771    HB2  GLU  98           HB2      GLU  98  24.866  23.668  -5.104
  772    HB3  GLU  98           HB3      GLU  98  24.442  22.721  -6.538
  773    HG2  GLU  98           HG2      GLU  98  26.612  23.187  -7.564
  774    HG3  GLU  98           HG3      GLU  98  27.062  24.257  -6.229
  775    H    LEU  99           H        LEU  99  23.038  26.033  -5.039
  776    HA   LEU  99           HA       LEU  99  20.463  24.910  -5.627
  777    HB2  LEU  99           HB2      LEU  99  21.131  25.887  -3.438
  778    HB3  LEU  99           HB3      LEU  99  21.223  27.487  -4.169
  779    HG   LEU  99           HG       LEU  99  18.780  27.453  -4.589
  780   HD11  LEU  99          HD11      LEU  99  17.362  25.684  -3.576
  781   HD12  LEU  99          HD12      LEU  99  18.370  25.018  -4.863
  782   HD13  LEU  99          HD13      LEU  99  18.809  24.757  -3.162
  783   HD21  LEU  99          HD21      LEU  99  19.530  26.725  -1.723
  784   HD22  LEU  99          HD22      LEU  99  19.672  28.333  -2.448
  785   HD23  LEU  99          HD23      LEU  99  18.071  27.598  -2.235
  786    H    GLN 100           H        GLN 100  21.940  28.053  -6.621
  787    HA   GLN 100           HA       GLN 100  19.761  28.937  -8.283
  788    HB2  GLN 100           HB2      GLN 100  22.766  29.408  -8.610
  789    HB3  GLN 100           HB3      GLN 100  21.498  30.214  -9.529
  790    HG2  GLN 100           HG2      GLN 100  20.569  31.145  -7.412
  791    HG3  GLN 100           HG3      GLN 100  21.942  30.443  -6.531
  792   HE21  GLN 100          HE22      GLN 100  24.222  31.147  -7.498
  793   HE22  GLN 100          HE21      GLN 100  24.308  32.831  -7.982
  794    H    GLU 101           H        GLU 101  22.685  26.979  -9.093
  795    HA   GLU 101           HA       GLU 101  22.141  26.613 -11.813
  796    HB2  GLU 101           HB2      GLU 101  24.252  26.022 -10.509
  797    HB3  GLU 101           HB3      GLU 101  23.425  24.567  -9.968
  798    HG2  GLU 101           HG2      GLU 101  24.805  23.953 -11.799
  799    HG3  GLU 101           HG3      GLU 101  23.147  23.885 -12.384
  800    H    GLN 102           H        GLN 102  21.141  24.422  -9.098
  801    HA   GLN 102           HA       GLN 102  19.646  22.680 -10.810
  802    HB2  GLN 102           HB2      GLN 102  19.609  23.133  -7.807
  803    HB3  GLN 102           HB3      GLN 102  18.656  21.886  -8.608
  804    HG2  GLN 102           HG2      GLN 102  21.704  22.055  -8.808
  805    HG3  GLN 102           HG3      GLN 102  20.835  21.057  -7.651
  806   HE21  GLN 102          HE22      GLN 102  19.553  19.197  -8.469
  807   HE22  GLN 102          HE21      GLN 102  19.895  18.577 -10.073
  808    H    VAL 103           H        VAL 103  18.592  25.548  -8.885
  809    HA   VAL 103           HA       VAL 103  15.793  25.182  -9.476
  810    HB   VAL 103           HB       VAL 103  17.410  27.608  -8.670
  811   HG11  VAL 103          HG11      VAL 103  15.221  28.764  -8.242
  812   HG12  VAL 103          HG12      VAL 103  15.564  28.551  -9.958
  813   HG13  VAL 103          HG13      VAL 103  14.399  27.479  -9.152
  814   HG21  VAL 103          HG21      VAL 103  16.208  27.312  -6.539
  815   HG22  VAL 103          HG22      VAL 103  15.222  26.012  -7.237
  816   HG23  VAL 103          HG23      VAL 103  16.951  25.767  -6.978
  817    H    GLU 104           H        GLU 104  18.375  27.031 -11.252
  818    HA   GLU 104           HA       GLU 104  16.651  27.945 -13.341
  819    HB2  GLU 104           HB2      GLU 104  19.651  27.471 -13.164
  820    HB3  GLU 104           HB3      GLU 104  18.862  28.007 -14.651
  821    HG2  GLU 104           HG2      GLU 104  17.892  29.959 -13.455
  822    HG3  GLU 104           HG3      GLU 104  18.746  29.476 -11.988
  823    H    LYS 105           H        LYS 105  18.680  24.963 -13.085
  824    HA   LYS 105           HA       LYS 105  17.958  23.862 -15.598
  825    HB2  LYS 105           HB2      LYS 105  19.816  23.100 -14.129
  826    HB3  LYS 105           HB3      LYS 105  18.633  22.425 -12.992
  827    HG2  LYS 105           HG2      LYS 105  17.846  20.854 -14.725
  828    HG3  LYS 105           HG3      LYS 105  18.938  21.591 -15.914
  829    HD2  LYS 105           HD2      LYS 105  20.891  20.913 -14.530
  830    HD3  LYS 105           HD3      LYS 105  19.793  20.162 -13.351
  831    HE2  LYS 105           HE2      LYS 105  18.943  18.628 -15.118
  832    HE3  LYS 105           HE3      LYS 105  20.006  19.394 -16.308
  833    HZ1  LYS 105           HZ1      LYS 105  21.914  18.633 -15.005
  834    HZ2  LYS 105           HZ2      LYS 105  20.940  17.925 -13.898
  835    HZ3  LYS 105           HZ3      LYS 105  20.986  17.362 -15.434
  836    H    ALA 106           H        ALA 106  16.270  23.568 -12.429
  837    HA   ALA 106           HA       ALA 106  14.141  21.883 -13.374
  838    HB1  ALA 106           HB1      ALA 106  14.737  22.204 -11.008
  839    HB2  ALA 106           HB2      ALA 106  14.210  23.901 -11.081
  840    HB3  ALA 106           HB3      ALA 106  13.028  22.592 -11.302
  841    H    MET 107           H        MET 107  14.444  25.479 -13.362
  842    HA   MET 107           HA       MET 107  11.770  25.934 -14.373
  843    HB2  MET 107           HB2      MET 107  14.290  27.639 -14.450
  844    HB3  MET 107           HB3      MET 107  12.728  28.180 -15.054
  845    HG2  MET 107           HG2      MET 107  13.331  27.329 -12.200
  846    HG3  MET 107           HG3      MET 107  13.140  28.977 -12.761
  847    HE1  MET 107           HE1      MET 107  10.870  30.081 -13.435
  848    HE2  MET 107           HE2      MET 107  10.526  28.832 -14.656
  849    HE3  MET 107           HE3      MET 107   9.301  29.248 -13.443
  850    H    CYS 108           H        CYS 108  14.903  25.419 -16.026
  851    HA   CYS 108           HA       CYS 108  13.813  25.747 -18.691
  852    HB2  CYS 108           HB2      CYS 108  16.360  24.356 -17.711
  853    HB3  CYS 108           HB3      CYS 108  16.001  24.791 -19.387
  854    HG   CYS 108           HG       CYS 108  16.396  26.740 -16.731
  855    H    SER 109           H        SER 109  14.293  22.891 -16.653
  856    HA   SER 109           HA       SER 109  13.819  20.697 -16.796
  857    HB2  SER 109           HB2      SER 109  11.610  21.561 -18.697
  858    HB3  SER 109           HB3      SER 109  11.786  19.939 -18.001
  859    HG   SER 109           HG       SER 109  11.595  20.799 -15.935
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  -6.331   2.669  -0.228
    2    H2   MET   1           H2       MET   1  -7.167   3.463  -1.377
    3    H3   MET   1           H3       MET   1  -6.238   2.180  -1.787
    4    HA   MET   1           HA       MET   1  -5.239   4.754  -0.719
    5    HB2  MET   1           HB2      MET   1  -3.873   2.804  -0.001
    6    HB3  MET   1           HB3      MET   1  -3.639   2.339  -1.686
    7    HG2  MET   1           HG2      MET   1  -1.686   3.491  -0.832
    8    HG3  MET   1           HG3      MET   1  -2.429   4.440  -2.110
    9    HE1  MET   1           HE1      MET   1  -0.198   5.588  -0.362
   10    HE2  MET   1           HE2      MET   1  -1.058   6.685  -1.472
   11    HE3  MET   1           HE3      MET   1  -0.807   7.152   0.223
   12    H    ALA   2           H        ALA   2  -4.821   6.338  -2.194
   13    HA   ALA   2           HA       ALA   2  -5.427   5.805  -5.065
   14    HB1  ALA   2           HB1      ALA   2  -5.463   8.393  -3.445
   15    HB2  ALA   2           HB2      ALA   2  -6.086   8.152  -5.093
   16    HB3  ALA   2           HB3      ALA   2  -6.869   7.342  -3.728
   17    H    LEU   3           H        LEU   3  -2.790   5.155  -4.124
   18    HA   LEU   3           HA       LEU   3  -0.917   7.237  -4.289
   19    HB2  LEU   3           HB2      LEU   3  -0.552   5.079  -3.163
   20    HB3  LEU   3           HB3      LEU   3  -0.559   4.237  -4.707
   21    HG   LEU   3           HG       LEU   3   1.525   5.390  -5.360
   22   HD11  LEU   3          HD11      LEU   3   2.776   6.737  -3.628
   23   HD12  LEU   3          HD12      LEU   3   1.324   7.540  -4.220
   24   HD13  LEU   3          HD13      LEU   3   1.303   6.740  -2.632
   25   HD21  LEU   3          HD21      LEU   3   1.682   4.161  -2.576
   26   HD22  LEU   3          HD22      LEU   3   1.648   3.262  -4.111
   27   HD23  LEU   3          HD23      LEU   3   3.025   4.309  -3.729
   28    H    THR   4           H        THR   4  -1.291   4.714  -6.788
   29    HA   THR   4           HA       THR   4   0.240   6.293  -8.695
   30    HB   THR   4           HB       THR   4  -0.381   4.439 -10.320
   31    HG1  THR   4           HG1      THR   4  -1.161   2.561  -9.319
   32   HG21  THR   4          HG21      THR   4   1.173   2.836  -9.233
   33   HG22  THR   4          HG22      THR   4   1.765   4.500  -9.137
   34   HG23  THR   4          HG23      THR   4   1.033   3.738  -7.706
   35    HA   PRO   5           HA       PRO   5  -3.798   7.088 -10.942
   36    HB2  PRO   5           HB2      PRO   5  -5.911   7.279  -8.815
   37    HB3  PRO   5           HB3      PRO   5  -6.017   6.562 -10.452
   38    HG2  PRO   5           HG2      PRO   5  -5.868   4.995  -8.233
   39    HG3  PRO   5           HG3      PRO   5  -4.969   4.558  -9.726
   40    HD2  PRO   5           HD2      PRO   5  -3.949   6.028  -7.284
   41    HD3  PRO   5           HD3      PRO   5  -3.245   4.612  -8.104
   42    H    ALA   6           H        ALA   6  -3.754   8.501  -7.615
   43    HA   ALA   6           HA       ALA   6  -4.289  11.201  -8.827
   44    HB1  ALA   6           HB1      ALA   6  -5.472  11.679  -6.742
   45    HB2  ALA   6           HB2      ALA   6  -6.136  10.219  -7.498
   46    HB3  ALA   6           HB3      ALA   6  -5.049  10.077  -6.096
   47    H    LEU   7           H        LEU   7  -2.531   9.611  -6.091
   48    HA   LEU   7           HA       LEU   7  -1.427  12.076  -5.187
   49    HB2  LEU   7           HB2      LEU   7  -1.807   9.836  -3.963
   50    HB3  LEU   7           HB3      LEU   7  -0.289   9.304  -4.661
   51    HG   LEU   7           HG       LEU   7  -0.153  10.028  -2.322
   52   HD11  LEU   7          HD11      LEU   7   1.895  11.286  -2.451
   53   HD12  LEU   7          HD12      LEU   7   1.860  10.137  -3.797
   54   HD13  LEU   7          HD13      LEU   7   1.517  11.857  -4.081
   55   HD21  LEU   7          HD21      LEU   7  -1.855  11.910  -2.555
   56   HD22  LEU   7          HD22      LEU   7  -0.416  12.271  -1.599
   57   HD23  LEU   7          HD23      LEU   7  -0.551  12.897  -3.251
   58    H    LYS   8           H        LYS   8   0.248   9.416  -7.010
   59    HA   LYS   8           HA       LYS   8   2.656  10.988  -7.356
   60    HB2  LYS   8           HB2      LYS   8   1.588   8.512  -8.783
   61    HB3  LYS   8           HB3      LYS   8   3.167   9.239  -9.127
   62    HG2  LYS   8           HG2      LYS   8   3.816   8.992  -6.738
   63    HG3  LYS   8           HG3      LYS   8   2.281   8.176  -6.408
   64    HD2  LYS   8           HD2      LYS   8   2.872   6.389  -8.019
   65    HD3  LYS   8           HD3      LYS   8   4.402   7.230  -8.390
   66    HE2  LYS   8           HE2      LYS   8   5.078   7.027  -5.993
   67    HE3  LYS   8           HE3      LYS   8   3.585   6.159  -5.646
   68    HZ1  LYS   8           HZ1      LYS   8   5.412   4.643  -5.966
   69    HZ2  LYS   8           HZ2      LYS   8   4.323   4.397  -7.170
   70    HZ3  LYS   8           HZ3      LYS   8   5.722   5.201  -7.481
   71    H    THR   9           H        THR   9  -0.268  10.702  -9.371
   72    HA   THR   9           HA       THR   9   0.443  12.242 -11.594
   73    HB   THR   9           HB       THR   9  -2.218  12.236 -10.224
   74    HG1  THR   9           HG1      THR   9  -2.562  10.242 -11.120
   75   HG21  THR   9          HG21      THR   9  -1.375  12.216 -13.137
   76   HG22  THR   9          HG22      THR   9  -3.058  12.175 -12.548
   77   HG23  THR   9          HG23      THR   9  -2.049  13.612 -12.258
   78    H    THR  10           H        THR  10  -0.689  13.310  -8.366
   79    HA   THR  10           HA       THR  10  -0.784  16.139  -9.018
   80    HB   THR  10           HB       THR  10  -0.583  14.762  -6.295
   81    HG1  THR  10           HG1      THR  10  -2.403  14.107  -7.400
   82   HG21  THR  10          HG21      THR  10  -1.686  16.839  -5.486
   83   HG22  THR  10          HG22      THR  10  -0.065  17.159  -6.112
   84   HG23  THR  10          HG23      THR  10  -1.493  17.566  -7.095
   85    H    LEU  11           H        LEU  11   1.667  14.051  -7.439
   86    HA   LEU  11           HA       LEU  11   3.633  16.063  -6.964
   87    HB2  LEU  11           HB2      LEU  11   4.127  13.142  -7.648
   88    HB3  LEU  11           HB3      LEU  11   5.249  14.251  -6.875
   89    HG   LEU  11           HG       LEU  11   2.643  13.213  -5.703
   90   HD11  LEU  11          HD11      LEU  11   4.547  11.604  -5.774
   91   HD12  LEU  11          HD12      LEU  11   5.506  12.761  -4.818
   92   HD13  LEU  11          HD13      LEU  11   4.045  12.021  -4.134
   93   HD21  LEU  11          HD21      LEU  11   2.947  15.501  -4.903
   94   HD22  LEU  11          HD22      LEU  11   3.290  14.349  -3.613
   95   HD23  LEU  11          HD23      LEU  11   4.635  15.132  -4.473
   96    H    ASP  12           H        ASP  12   3.333  13.867  -9.808
   97    HA   ASP  12           HA       ASP  12   5.322  15.052 -11.411
   98    HB2  ASP  12           HB2      ASP  12   4.203  12.905 -11.885
   99    HB3  ASP  12           HB3      ASP  12   2.698  13.755 -12.233
  100    H    LYS  13           H        LYS  13   1.839  15.997 -11.129
  101    HA   LYS  13           HA       LYS  13   1.961  18.115 -13.026
  102    HB2  LYS  13           HB2      LYS  13  -0.110  17.127 -12.147
  103    HB3  LYS  13           HB3      LYS  13   0.189  17.847 -10.559
  104    HG2  LYS  13           HG2      LYS  13  -0.011  20.105 -11.502
  105    HG3  LYS  13           HG3      LYS  13  -0.085  19.449 -13.144
  106    HD2  LYS  13           HD2      LYS  13  -2.294  20.109 -12.418
  107    HD3  LYS  13           HD3      LYS  13  -2.236  18.354 -12.640
  108    HE2  LYS  13           HE2      LYS  13  -2.018  18.032 -10.195
  109    HE3  LYS  13           HE3      LYS  13  -1.978  19.789  -9.950
  110    HZ1  LYS  13           HZ1      LYS  13  -4.243  19.899 -10.825
  111    HZ2  LYS  13           HZ2      LYS  13  -4.284  18.282 -11.071
  112    HZ3  LYS  13           HZ3      LYS  13  -4.193  18.883  -9.550
  113    H    VAL  14           H        VAL  14   2.464  18.397  -9.384
  114    HA   VAL  14           HA       VAL  14   3.161  21.135  -9.678
  115    HB   VAL  14           HB       VAL  14   4.031  21.064  -7.456
  116   HG11  VAL  14          HG11      VAL  14   1.930  20.595  -6.303
  117   HG12  VAL  14          HG12      VAL  14   1.622  21.378  -7.862
  118   HG13  VAL  14          HG13      VAL  14   1.361  19.631  -7.682
  119   HG21  VAL  14          HG21      VAL  14   3.973  19.175  -5.978
  120   HG22  VAL  14          HG22      VAL  14   3.381  18.136  -7.274
  121   HG23  VAL  14          HG23      VAL  14   5.030  18.801  -7.345
  122    H    VAL  15           H        VAL  15   5.227  18.218  -9.785
  123    HA   VAL  15           HA       VAL  15   7.740  19.543  -9.881
  124    HB   VAL  15           HB       VAL  15   6.753  16.938 -10.940
  125   HG11  VAL  15          HG11      VAL  15   9.624  17.921 -11.053
  126   HG12  VAL  15          HG12      VAL  15   9.132  16.230 -11.269
  127   HG13  VAL  15          HG13      VAL  15   8.616  17.446 -12.439
  128   HG21  VAL  15          HG21      VAL  15   7.029  17.298  -8.444
  129   HG22  VAL  15          HG22      VAL  15   8.034  15.999  -9.110
  130   HG23  VAL  15          HG23      VAL  15   8.749  17.583  -8.732
  131    H    THR  16           H        THR  16   5.522  18.671 -12.598
  132    HA   THR  16           HA       THR  16   7.348  19.761 -14.591
  133    HB   THR  16           HB       THR  16   5.429  19.397 -16.172
  134    HG1  THR  16           HG1      THR  16   4.271  18.023 -14.001
  135   HG21  THR  16          HG21      THR  16   6.302  17.034 -14.440
  136   HG22  THR  16          HG22      THR  16   5.557  16.924 -16.050
  137   HG23  THR  16          HG23      THR  16   7.145  17.682 -15.861
  138    H    SER  17           H        SER  17   4.273  20.998 -13.183
  139    HA   SER  17           HA       SER  17   4.324  23.367 -14.808
  140    HB2  SER  17           HB2      SER  17   2.818  22.732 -12.250
  141    HB3  SER  17           HB3      SER  17   2.528  24.150 -13.277
  142    HG   SER  17           HG       SER  17   1.110  22.421 -13.788
  143    H    HIS  18           H        HIS  18   5.648  22.795 -11.528
  144    HA   HIS  18           HA       HIS  18   6.478  25.691 -11.441
  145    HB2  HIS  18           HB2      HIS  18   5.617  23.892  -9.142
  146    HB3  HIS  18           HB3      HIS  18   6.033  25.597  -9.041
  147    HD1  HIS  18           HD1      HIS  18   4.248  27.295 -10.473
  148    HD2  HIS  18           HD2      HIS  18   3.091  23.334  -9.662
  149    HE1  HIS  18           HE1      HIS  18   1.736  27.197 -10.846
  150    H    LYS  19           H        LYS  19   7.826  22.580 -11.499
  151    HA   LYS  19           HA       LYS  19   9.916  21.779 -11.317
  152    HB2  LYS  19           HB2      LYS  19  10.632  24.737 -11.456
  153    HB3  LYS  19           HB3      LYS  19  11.791  23.430 -11.636
  154    HG2  LYS  19           HG2      LYS  19   9.340  23.725 -13.425
  155    HG3  LYS  19           HG3      LYS  19  10.900  24.457 -13.790
  156    HD2  LYS  19           HD2      LYS  19  11.998  22.328 -13.960
  157    HD3  LYS  19           HD3      LYS  19  10.588  21.455 -13.336
  158    HE2  LYS  19           HE2      LYS  19   9.262  21.980 -15.277
  159    HE3  LYS  19           HE3      LYS  19  10.487  23.102 -15.895
  160    HZ1  LYS  19           HZ1      LYS  19  11.924  21.357 -16.399
  161    HZ2  LYS  19           HZ2      LYS  19  11.163  20.250 -15.458
  162    HZ3  LYS  19           HZ3      LYS  19  10.476  20.765 -16.879
  163    H    VAL  20           H        VAL  20   9.821  24.457  -8.984
  164    HA   VAL  20           HA       VAL  20  11.526  22.868  -7.083
  165    HB   VAL  20           HB       VAL  20  10.706  25.783  -7.185
  166   HG11  VAL  20          HG11      VAL  20  12.016  26.149  -5.124
  167   HG12  VAL  20          HG12      VAL  20  10.607  25.143  -4.792
  168   HG13  VAL  20          HG13      VAL  20  12.214  24.393  -4.916
  169   HG21  VAL  20          HG21      VAL  20  13.459  24.471  -7.092
  170   HG22  VAL  20          HG22      VAL  20  12.662  25.028  -8.576
  171   HG23  VAL  20          HG23      VAL  20  13.109  26.193  -7.323
  172    H    VAL  21           H        VAL  21  10.592  21.708  -5.542
  173    HA   VAL  21           HA       VAL  21   7.812  22.365  -4.620
  174    HB   VAL  21           HB       VAL  21   8.929  19.588  -5.169
  175   HG11  VAL  21          HG11      VAL  21   6.104  20.512  -4.500
  176   HG12  VAL  21          HG12      VAL  21   6.579  18.850  -4.905
  177   HG13  VAL  21          HG13      VAL  21   7.182  19.594  -3.423
  178   HG21  VAL  21          HG21      VAL  21   8.609  20.685  -7.332
  179   HG22  VAL  21          HG22      VAL  21   7.349  19.478  -7.084
  180   HG23  VAL  21          HG23      VAL  21   6.974  21.203  -6.862
  181    H    LEU  22           H        LEU  22   7.456  22.132  -2.460
  182    HA   LEU  22           HA       LEU  22   9.662  21.114  -0.703
  183    HB2  LEU  22           HB2      LEU  22   8.074  23.649  -0.660
  184    HB3  LEU  22           HB3      LEU  22   8.030  22.784   0.860
  185    HG   LEU  22           HG       LEU  22   9.729  24.473   0.868
  186   HD11  LEU  22          HD11      LEU  22  11.574  23.202   1.752
  187   HD12  LEU  22          HD12      LEU  22  10.070  22.373   2.180
  188   HD13  LEU  22          HD13      LEU  22  11.087  21.752   0.864
  189   HD21  LEU  22          HD21      LEU  22  11.724  24.379  -0.527
  190   HD22  LEU  22          HD22      LEU  22  11.106  22.959  -1.388
  191   HD23  LEU  22          HD23      LEU  22  10.276  24.528  -1.543
  192    H    PHE  23           H        PHE  23   9.125  19.362   0.393
  193    HA   PHE  23           HA       PHE  23   6.250  18.684   0.879
  194    HB2  PHE  23           HB2      PHE  23   8.804  17.053   1.179
  195    HB3  PHE  23           HB3      PHE  23   7.176  16.483   1.539
  196    HD1  PHE  23           HD2      PHE  23   5.528  17.383  -0.691
  197    HD2  PHE  23           HD1      PHE  23   9.581  15.888  -0.734
  198    HE1  PHE  23           HE2      PHE  23   5.274  16.767  -3.065
  199    HE2  PHE  23           HE1      PHE  23   9.290  15.215  -3.095
  200    HZ   PHE  23           HZ       PHE  23   7.138  15.635  -4.263
  201    H    MET  24           H        MET  24   5.613  19.926   2.535
  202    HA   MET  24           HA       MET  24   7.202  19.996   5.052
  203    HB2  MET  24           HB2      MET  24   7.831  21.779   3.320
  204    HB3  MET  24           HB3      MET  24   6.235  22.464   3.530
  205    HG2  MET  24           HG2      MET  24   8.205  22.043   5.824
  206    HG3  MET  24           HG3      MET  24   8.281  23.437   4.756
  207    HE1  MET  24           HE1      MET  24   6.680  25.407   4.657
  208    HE2  MET  24           HE2      MET  24   5.322  24.335   4.224
  209    HE3  MET  24           HE3      MET  24   5.140  25.500   5.535
  210    H    LYS  25           H        LYS  25   5.958  20.651   6.935
  211    HA   LYS  25           HA       LYS  25   3.295  19.489   6.798
  212    HB2  LYS  25           HB2      LYS  25   4.830  20.796   9.084
  213    HB3  LYS  25           HB3      LYS  25   3.329  19.883   9.254
  214    HG2  LYS  25           HG2      LYS  25   4.440  17.851   8.355
  215    HG3  LYS  25           HG3      LYS  25   5.966  18.749   8.214
  216    HD2  LYS  25           HD2      LYS  25   5.922  19.178  10.668
  217    HD3  LYS  25           HD3      LYS  25   4.420  18.241  10.798
  218    HE2  LYS  25           HE2      LYS  25   5.605  16.237   9.908
  219    HE3  LYS  25           HE3      LYS  25   7.097  17.173   9.764
  220    HZ1  LYS  25           HZ1      LYS  25   7.067  17.472  12.188
  221    HZ2  LYS  25           HZ2      LYS  25   5.692  16.592  12.324
  222    HZ3  LYS  25           HZ3      LYS  25   7.068  15.884  11.815
  223    H    GLY  26           H        GLY  26   4.315  22.746   6.579
  224    HA2  GLY  26           HA2      GLY  26   1.665  23.909   7.322
  225    HA3  GLY  26           HA3      GLY  26   3.166  24.805   7.039
  226    H    THR  27           H        THR  27   1.217  25.940   5.870
  227    HA   THR  27           HA       THR  27   0.999  25.037   3.015
  228    HB   THR  27           HB       THR  27  -0.900  26.615   2.891
  229    HG1  THR  27           HG1      THR  27  -1.347  27.897   4.434
  230   HG21  THR  27          HG21      THR  27  -1.211  24.639   5.193
  231   HG22  THR  27          HG22      THR  27  -2.516  25.375   4.244
  232   HG23  THR  27          HG23      THR  27  -1.381  24.265   3.460
  233    H    LYS  28           H        LYS  28   0.818  26.945   1.462
  234    HA   LYS  28           HA       LYS  28   3.257  28.450   1.508
  235    HB2  LYS  28           HB2      LYS  28   1.957  27.665  -0.503
  236    HB3  LYS  28           HB3      LYS  28   0.743  28.910  -0.165
  237    HG2  LYS  28           HG2      LYS  28   2.449  30.673  -0.456
  238    HG3  LYS  28           HG3      LYS  28   3.699  29.450  -0.701
  239    HD2  LYS  28           HD2      LYS  28   1.286  29.889  -2.515
  240    HD3  LYS  28           HD3      LYS  28   2.917  30.513  -2.804
  241    HE2  LYS  28           HE2      LYS  28   3.799  28.167  -2.835
  242    HE3  LYS  28           HE3      LYS  28   2.143  27.560  -2.636
  243    HZ1  LYS  28           HZ1      LYS  28   1.591  28.699  -4.747
  244    HZ2  LYS  28           HZ2      LYS  28   3.165  29.129  -4.942
  245    HZ3  LYS  28           HZ3      LYS  28   2.731  27.548  -4.961
  246    H    ASP  29           H        ASP  29  -0.051  29.303   2.459
  247    HA   ASP  29           HA       ASP  29   0.578  32.108   2.994
  248    HB2  ASP  29           HB2      ASP  29  -1.694  32.345   3.547
  249    HB3  ASP  29           HB3      ASP  29  -1.644  31.281   2.153
  250    H    PHE  30           H        PHE  30   0.898  29.191   4.824
  251    HA   PHE  30           HA       PHE  30   1.657  30.706   7.232
  252    HB2  PHE  30           HB2      PHE  30  -0.764  30.326   7.478
  253    HB3  PHE  30           HB3      PHE  30  -0.522  28.595   7.306
  254    HD1  PHE  30           HD1      PHE  30   0.492  31.561   9.389
  255    HD2  PHE  30           HD2      PHE  30  -0.044  27.281   9.249
  256    HE1  PHE  30           HE1      PHE  30   0.928  31.421  11.830
  257    HE2  PHE  30           HE2      PHE  30   0.393  27.148  11.684
  258    HZ   PHE  30           HZ       PHE  30   0.882  29.215  12.982
  259    HA   PRO  31           HA       PRO  31   4.424  27.105   6.628
  260    HB2  PRO  31           HB2      PRO  31   6.830  28.351   6.892
  261    HB3  PRO  31           HB3      PRO  31   5.872  28.455   5.388
  262    HG2  PRO  31           HG2      PRO  31   5.965  30.455   7.674
  263    HG3  PRO  31           HG3      PRO  31   6.162  30.774   5.919
  264    HD2  PRO  31           HD2      PRO  31   3.778  31.082   7.227
  265    HD3  PRO  31           HD3      PRO  31   3.851  30.531   5.523
  266    H    GLN  32           H        GLN  32   6.113  26.196   8.160
  267    HA   GLN  32           HA       GLN  32   5.030  26.331  10.866
  268    HB2  GLN  32           HB2      GLN  32   7.320  24.721   9.660
  269    HB3  GLN  32           HB3      GLN  32   6.671  24.469  11.273
  270    HG2  GLN  32           HG2      GLN  32   5.053  24.159   8.699
  271    HG3  GLN  32           HG3      GLN  32   5.812  22.850   9.596
  272   HE21  GLN  32          HE22      GLN  32   5.059  22.586  11.985
  273   HE22  GLN  32          HE21      GLN  32   3.374  22.957  12.289
  274    H    CYS  33           H        CYS  33   7.284  28.280   9.426
  275    HA   CYS  33           HA       CYS  33   8.551  29.995  10.166
  276    HB2  CYS  33           HB2      CYS  33   7.380  29.303  12.891
  277    HB3  CYS  33           HB3      CYS  33   8.238  30.789  12.485
  278    HG   CYS  33           HG       CYS  33   5.565  29.580  10.912
  279    H    GLY  34           H        GLY  34   9.458  26.915  10.938
  280    HA2  GLY  34           HA2      GLY  34  12.012  27.577  12.310
  281    HA3  GLY  34           HA3      GLY  34  11.406  25.969  11.853
  282    H    PHE  35           H        PHE  35  13.442  25.426  10.999
  283    HA   PHE  35           HA       PHE  35  14.875  26.854   9.029
  284    HB2  PHE  35           HB2      PHE  35  14.717  23.843   9.478
  285    HB3  PHE  35           HB3      PHE  35  15.985  24.701   8.603
  286    HD1  PHE  35           HD2      PHE  35  17.381  26.472   9.867
  287    HD2  PHE  35           HD1      PHE  35  14.946  23.502  11.833
  288    HE1  PHE  35           HE2      PHE  35  18.675  26.795  11.961
  289    HE2  PHE  35           HE1      PHE  35  16.241  23.829  13.928
  290    HZ   PHE  35           HZ       PHE  35  18.111  25.473  13.992
  291    H    SER  36           H        SER  36  12.019  24.832   8.624
  292    HA   SER  36           HA       SER  36  12.034  24.448   5.784
  293    HB2  SER  36           HB2      SER  36   9.517  24.409   6.193
  294    HB3  SER  36           HB3      SER  36  10.482  23.259   7.144
  295    HG   SER  36           HG       SER  36   9.029  24.304   8.505
  296    H    GLN  37           H        GLN  37  10.660  27.122   7.780
  297    HA   GLN  37           HA       GLN  37   9.865  28.785   5.590
  298    HB2  GLN  37           HB2      GLN  37   9.154  29.055   7.948
  299    HB3  GLN  37           HB3      GLN  37  10.754  29.626   8.393
  300    HG2  GLN  37           HG2      GLN  37   8.951  30.982   6.327
  301    HG3  GLN  37           HG3      GLN  37   8.954  31.384   8.042
  302   HE21  GLN  37          HE22      GLN  37  11.711  31.530   8.700
  303   HE22  GLN  37          HE21      GLN  37  12.396  32.821   7.734
  304    H    THR  38           H        THR  38  13.055  28.667   7.391
  305    HA   THR  38           HA       THR  38  14.355  30.607   5.849
  306    HB   THR  38           HB       THR  38  15.701  28.097   6.924
  307    HG1  THR  38           HG1      THR  38  15.800  29.435   8.870
  308   HG21  THR  38          HG21      THR  38  17.510  29.705   7.410
  309   HG22  THR  38          HG22      THR  38  17.107  29.723   5.683
  310   HG23  THR  38          HG23      THR  38  16.521  31.026   6.741
  311    H    VAL  39           H        VAL  39  14.185  27.083   5.184
  312    HA   VAL  39           HA       VAL  39  15.572  27.136   2.693
  313    HB   VAL  39           HB       VAL  39  13.435  25.278   3.762
  314   HG11  VAL  39          HG11      VAL  39  13.100  25.085   1.388
  315   HG12  VAL  39          HG12      VAL  39  14.842  25.080   1.078
  316   HG13  VAL  39          HG13      VAL  39  14.070  23.700   1.890
  317   HG21  VAL  39          HG21      VAL  39  15.684  25.210   4.816
  318   HG22  VAL  39          HG22      VAL  39  15.306  23.714   3.948
  319   HG23  VAL  39          HG23      VAL  39  16.413  24.911   3.234
  320    H    VAL  40           H        VAL  40  12.035  27.538   3.301
  321    HA   VAL  40           HA       VAL  40  11.294  27.996   0.578
  322    HB   VAL  40           HB       VAL  40  10.065  28.864   3.206
  323   HG11  VAL  40          HG11      VAL  40   8.002  29.455   1.902
  324   HG12  VAL  40          HG12      VAL  40   9.330  30.599   1.682
  325   HG13  VAL  40          HG13      VAL  40   8.987  29.396   0.417
  326   HG21  VAL  40          HG21      VAL  40   9.990  26.442   2.571
  327   HG22  VAL  40          HG22      VAL  40   8.384  27.175   2.662
  328   HG23  VAL  40          HG23      VAL  40   9.137  26.886   1.079
  329    H    GLN  41           H        GLN  41  12.351  30.345   3.093
  330    HA   GLN  41           HA       GLN  41  12.105  32.676   1.472
  331    HB2  GLN  41           HB2      GLN  41  12.347  32.374   4.052
  332    HB3  GLN  41           HB3      GLN  41  14.079  32.307   3.759
  333    HG2  GLN  41           HG2      GLN  41  13.450  34.561   4.373
  334    HG3  GLN  41           HG3      GLN  41  13.932  34.574   2.674
  335   HE21  GLN  41          HE22      GLN  41  10.863  34.044   4.630
  336   HE22  GLN  41          HE21      GLN  41   9.898  35.057   3.562
  337    H    ILE  42           H        ILE  42  14.896  30.492   2.002
  338    HA   ILE  42           HA       ILE  42  16.857  31.909   0.483
  339    HB   ILE  42           HB       ILE  42  16.418  29.014   1.256
  340   HG12  ILE  42          HG12      ILE  42  18.689  30.962   1.852
  341   HG13  ILE  42          HG13      ILE  42  17.248  30.829   2.850
  342   HG21  ILE  42          HG21      ILE  42  17.471  28.801  -0.951
  343   HG22  ILE  42          HG22      ILE  42  18.714  29.983  -0.482
  344   HG23  ILE  42          HG23      ILE  42  18.616  28.383   0.301
  345   HD11  ILE  42          HD11      ILE  42  19.317  28.641   2.399
  346   HD12  ILE  42          HD12      ILE  42  18.994  29.547   3.881
  347   HD13  ILE  42          HD13      ILE  42  17.776  28.408   3.267
  348    H    LEU  43           H        LEU  43  14.528  29.426  -0.680
  349    HA   LEU  43           HA       LEU  43  15.305  29.583  -3.448
  350    HB2  LEU  43           HB2      LEU  43  12.710  28.777  -2.051
  351    HB3  LEU  43           HB3      LEU  43  13.007  28.519  -3.766
  352    HG   LEU  43           HG       LEU  43  14.850  27.353  -1.629
  353   HD11  LEU  43          HD11      LEU  43  12.335  26.141  -2.833
  354   HD12  LEU  43          HD12      LEU  43  13.545  25.254  -1.890
  355   HD13  LEU  43          HD13      LEU  43  12.615  26.554  -1.138
  356   HD21  LEU  43          HD21      LEU  43  15.386  25.745  -3.448
  357   HD22  LEU  43          HD22      LEU  43  14.327  26.641  -4.550
  358   HD23  LEU  43          HD23      LEU  43  15.789  27.407  -3.890
  359    H    LYS  44           H        LYS  44  12.617  31.113  -1.667
  360    HA   LYS  44           HA       LYS  44  11.487  32.603  -3.752
  361    HB2  LYS  44           HB2      LYS  44  10.535  32.181  -1.518
  362    HB3  LYS  44           HB3      LYS  44  11.688  33.317  -0.797
  363    HG2  LYS  44           HG2      LYS  44  10.701  35.167  -2.079
  364    HG3  LYS  44           HG3      LYS  44   9.638  34.031  -2.940
  365    HD2  LYS  44           HD2      LYS  44   8.596  33.367  -0.795
  366    HD3  LYS  44           HD3      LYS  44   9.613  34.511   0.082
  367    HE2  LYS  44           HE2      LYS  44   7.635  35.275  -2.125
  368    HE3  LYS  44           HE3      LYS  44   7.244  35.284  -0.402
  369    HZ1  LYS  44           HZ1      LYS  44   9.008  36.949  -0.080
  370    HZ2  LYS  44           HZ2      LYS  44   9.325  36.977  -1.688
  371    HZ3  LYS  44           HZ3      LYS  44   7.878  37.487  -1.131
  372    H    SER  45           H        SER  45  13.902  33.779  -1.394
  373    HA   SER  45           HA       SER  45  14.351  36.294  -2.685
  374    HB2  SER  45           HB2      SER  45  16.139  36.609  -1.067
  375    HB3  SER  45           HB3      SER  45  14.669  36.012  -0.297
  376    HG   SER  45           HG       SER  45  15.577  33.987  -0.113
  377    H    LEU  46           H        LEU  46  16.066  33.167  -3.111
  378    HA   LEU  46           HA       LEU  46  18.241  34.127  -4.662
  379    HB2  LEU  46           HB2      LEU  46  18.127  31.835  -3.898
  380    HB3  LEU  46           HB3      LEU  46  16.597  31.574  -4.717
  381    HG   LEU  46           HG       LEU  46  17.700  31.706  -6.913
  382   HD11  LEU  46          HD11      LEU  46  20.195  31.590  -7.033
  383   HD12  LEU  46          HD12      LEU  46  19.633  33.150  -6.424
  384   HD13  LEU  46          HD13      LEU  46  20.278  31.944  -5.294
  385   HD21  LEU  46          HD21      LEU  46  19.025  29.709  -5.026
  386   HD22  LEU  46          HD22      LEU  46  17.384  29.558  -5.687
  387   HD23  LEU  46          HD23      LEU  46  18.767  29.544  -6.785
  388    H    ASN  47           H        ASN  47  14.900  33.521  -5.446
  389    HA   ASN  47           HA       ASN  47  13.670  35.139  -6.653
  390    HB2  ASN  47           HB2      ASN  47  15.599  36.352  -7.634
  391    HB3  ASN  47           HB3      ASN  47  15.741  35.084  -8.861
  392   HD21  ASN  47          HD22      ASN  47  15.441  37.000 -10.332
  393   HD22  ASN  47          HD21      ASN  47  13.792  37.493 -10.688
  394    H    ALA  48           H        ALA  48  12.716  32.996  -6.173
  395    HA   ALA  48           HA       ALA  48  11.898  31.711  -8.719
  396    HB1  ALA  48           HB1      ALA  48  12.580  29.444  -7.945
  397    HB2  ALA  48           HB2      ALA  48  13.972  30.523  -8.129
  398    HB3  ALA  48           HB3      ALA  48  13.331  30.164  -6.510
  399    HA   PRO  49           HA       PRO  49   8.153  30.871  -6.326
  400    HB2  PRO  49           HB2      PRO  49   6.823  29.214  -8.019
  401    HB3  PRO  49           HB3      PRO  49   7.090  30.942  -8.409
  402    HG2  PRO  49           HG2      PRO  49   8.740  28.558  -9.315
  403    HG3  PRO  49           HG3      PRO  49   8.038  29.856 -10.329
  404    HD2  PRO  49           HD2      PRO  49  10.626  29.929  -9.446
  405    HD3  PRO  49           HD3      PRO  49   9.645  31.417  -9.600
  406    H    PHE  50           H        PHE  50   6.998  28.890  -5.471
  407    HA   PHE  50           HA       PHE  50   8.493  26.382  -5.368
  408    HB2  PHE  50           HB2      PHE  50   8.859  26.417  -2.962
  409    HB3  PHE  50           HB3      PHE  50   9.661  27.801  -3.688
  410    HD1  PHE  50           HD1      PHE  50   8.717  30.113  -3.421
  411    HD2  PHE  50           HD2      PHE  50   7.046  26.703  -1.371
  412    HE1  PHE  50           HE1      PHE  50   7.448  31.632  -1.933
  413    HE2  PHE  50           HE2      PHE  50   5.778  28.229   0.120
  414    HZ   PHE  50           HZ       PHE  50   5.968  30.695  -0.161
  415    H    GLU  51           H        GLU  51   7.190  24.647  -4.821
  416    HA   GLU  51           HA       GLU  51   4.339  25.213  -4.056
  417    HB2  GLU  51           HB2      GLU  51   5.627  22.921  -5.579
  418    HB3  GLU  51           HB3      GLU  51   4.017  22.800  -4.858
  419    HG2  GLU  51           HG2      GLU  51   4.834  24.934  -6.866
  420    HG3  GLU  51           HG3      GLU  51   3.990  23.437  -7.269
  421    H    SER  52           H        SER  52   4.700  25.494  -1.841
  422    HA   SER  52           HA       SER  52   5.851  23.349  -0.212
  423    HB2  SER  52           HB2      SER  52   4.859  24.685   1.656
  424    HB3  SER  52           HB3      SER  52   5.994  25.578   0.630
  425    HG   SER  52           HG       SER  52   3.158  25.651   0.479
  426    H    VAL  53           H        VAL  53   4.768  21.586  -1.134
  427    HA   VAL  53           HA       VAL  53   1.908  21.129  -1.002
  428    HB   VAL  53           HB       VAL  53   4.278  19.217  -1.121
  429   HG11  VAL  53          HG11      VAL  53   2.379  17.994  -0.175
  430   HG12  VAL  53          HG12      VAL  53   1.309  18.604  -1.454
  431   HG13  VAL  53          HG13      VAL  53   2.633  17.480  -1.844
  432   HG21  VAL  53          HG21      VAL  53   4.045  20.629  -3.131
  433   HG22  VAL  53          HG22      VAL  53   3.644  18.946  -3.489
  434   HG23  VAL  53          HG23      VAL  53   2.345  20.139  -3.289
  435    H    ASN  54           H        ASN  54   0.768  21.022   0.826
  436    HA   ASN  54           HA       ASN  54   2.021  20.920   3.402
  437    HB2  ASN  54           HB2      ASN  54  -0.168  21.318   4.292
  438    HB3  ASN  54           HB3      ASN  54   0.198  22.418   2.974
  439   HD21  ASN  54          HD22      ASN  54  -2.352  20.978   4.276
  440   HD22  ASN  54          HD21      ASN  54  -3.287  20.610   2.825
  441    H    ILE  55           H        ILE  55   2.954  19.019   3.857
  442    HA   ILE  55           HA       ILE  55   1.582  16.432   3.534
  443    HB   ILE  55           HB       ILE  55   3.530  15.363   4.290
  444   HG12  ILE  55          HG12      ILE  55   4.455  17.982   5.495
  445   HG13  ILE  55          HG13      ILE  55   4.010  16.515   6.353
  446   HG21  ILE  55          HG21      ILE  55   4.565  17.825   2.843
  447   HG22  ILE  55          HG22      ILE  55   5.205  16.180   2.784
  448   HG23  ILE  55          HG23      ILE  55   3.627  16.537   2.066
  449   HD11  ILE  55          HD11      ILE  55   6.471  16.904   4.614
  450   HD12  ILE  55          HD12      ILE  55   6.396  16.688   6.369
  451   HD13  ILE  55          HD13      ILE  55   5.954  15.341   5.300
  452    H    LEU  56           H        LEU  56   1.628  14.892   5.495
  453    HA   LEU  56           HA       LEU  56   1.014  14.211   7.534
  454    HB2  LEU  56           HB2      LEU  56   2.364  16.658   8.110
  455    HB3  LEU  56           HB3      LEU  56   0.884  16.755   9.021
  456    HG   LEU  56           HG       LEU  56   2.640  15.852  10.372
  457   HD11  LEU  56          HD11      LEU  56   1.670  13.787  11.199
  458   HD12  LEU  56          HD12      LEU  56   0.365  14.891  10.725
  459   HD13  LEU  56          HD13      LEU  56   0.797  13.520   9.681
  460   HD21  LEU  56          HD21      LEU  56   4.071  14.973   8.537
  461   HD22  LEU  56          HD22      LEU  56   3.881  13.816   9.868
  462   HD23  LEU  56          HD23      LEU  56   2.984  13.583   8.355
  463    H    GLU  57           H        GLU  57  -0.651  17.275   6.759
  464    HA   GLU  57           HA       GLU  57  -3.104  16.677   8.094
  465    HB2  GLU  57           HB2      GLU  57  -2.619  18.390   5.617
  466    HB3  GLU  57           HB3      GLU  57  -4.079  18.402   6.615
  467    HG2  GLU  57           HG2      GLU  57  -2.674  19.089   8.584
  468    HG3  GLU  57           HG3      GLU  57  -1.286  19.238   7.498
  469    H    ASN  58           H        ASN  58  -2.056  15.934   4.752
  470    HA   ASN  58           HA       ASN  58  -4.543  14.386   4.227
  471    HB2  ASN  58           HB2      ASN  58  -3.762  16.007   2.545
  472    HB3  ASN  58           HB3      ASN  58  -2.219  15.161   2.424
  473   HD21  ASN  58          HD22      ASN  58  -3.569  15.541   0.095
  474   HD22  ASN  58          HD21      ASN  58  -4.296  14.037  -0.436
  475    H    GLU  59           H        GLU  59  -4.566  12.240   4.588
  476    HA   GLU  59           HA       GLU  59  -2.329  10.792   5.617
  477    HB2  GLU  59           HB2      GLU  59  -5.010   9.823   4.554
  478    HB3  GLU  59           HB3      GLU  59  -3.828   8.806   5.390
  479    HG2  GLU  59           HG2      GLU  59  -3.961  10.282   7.380
  480    HG3  GLU  59           HG3      GLU  59  -5.194  11.260   6.577
  481    H    LEU  60           H        LEU  60  -3.461  11.163   2.266
  482    HA   LEU  60           HA       LEU  60  -2.138   8.887   1.162
  483    HB2  LEU  60           HB2      LEU  60  -2.746  11.586  -0.118
  484    HB3  LEU  60           HB3      LEU  60  -2.323  10.115  -0.985
  485    HG   LEU  60           HG       LEU  60  -4.861  10.504   0.661
  486   HD11  LEU  60          HD11      LEU  60  -4.391  10.429  -2.358
  487   HD12  LEU  60          HD12      LEU  60  -5.966  10.534  -1.549
  488   HD13  LEU  60          HD13      LEU  60  -4.808  11.865  -1.399
  489   HD21  LEU  60          HD21      LEU  60  -5.579   8.381  -0.440
  490   HD22  LEU  60          HD22      LEU  60  -3.936   8.183  -1.090
  491   HD23  LEU  60          HD23      LEU  60  -4.222   8.145   0.666
  492    H    LEU  61           H        LEU  61  -0.932  12.177   1.821
  493    HA   LEU  61           HA       LEU  61   1.607  11.795   0.463
  494    HB2  LEU  61           HB2      LEU  61   0.657  13.796   2.568
  495    HB3  LEU  61           HB3      LEU  61   2.229  13.887   1.783
  496    HG   LEU  61           HG       LEU  61  -0.402  14.001   0.245
  497   HD11  LEU  61          HD11      LEU  61  -0.049  16.424   0.120
  498   HD12  LEU  61          HD12      LEU  61  -0.185  15.914   1.806
  499   HD13  LEU  61          HD13      LEU  61   1.410  16.285   1.128
  500   HD21  LEU  61          HD21      LEU  61   0.953  14.887  -1.590
  501   HD22  LEU  61          HD22      LEU  61   2.416  14.827  -0.595
  502   HD23  LEU  61          HD23      LEU  61   1.625  13.326  -1.108
  503    H    ARG  62           H        ARG  62   0.532  11.157   3.788
  504    HA   ARG  62           HA       ARG  62   3.000  10.922   5.097
  505    HB2  ARG  62           HB2      ARG  62   0.547   9.166   5.527
  506    HB3  ARG  62           HB3      ARG  62   1.889   9.355   6.645
  507    HG2  ARG  62           HG2      ARG  62   1.328  11.760   6.944
  508    HG3  ARG  62           HG3      ARG  62  -0.039  11.567   5.823
  509    HD2  ARG  62           HD2      ARG  62  -0.941   9.758   7.340
  510    HD3  ARG  62           HD3      ARG  62   0.354  10.134   8.488
  511    HE   ARG  62           HE       ARG  62  -1.043  12.546   7.867
  512   HH11  ARG  62          HH21      ARG  62  -1.690   9.535   9.626
  513   HH12  ARG  62          HH22      ARG  62  -2.835  10.306  10.681
  514   HH21  ARG  62          HH11      ARG  62  -2.461  13.460   9.225
  515   HH22  ARG  62          HH12      ARG  62  -3.289  12.526  10.459
  516    H    GLN  63           H        GLN  63   1.298   8.362   3.239
  517    HA   GLN  63           HA       GLN  63   3.611   6.521   3.444
  518    HB2  GLN  63           HB2      GLN  63   1.247   5.760   3.709
  519    HB3  GLN  63           HB3      GLN  63   0.886   6.279   2.057
  520    HG2  GLN  63           HG2      GLN  63   2.570   4.678   1.189
  521    HG3  GLN  63           HG3      GLN  63   2.966   4.191   2.844
  522   HE21  GLN  63          HE22      GLN  63   1.030   3.234   4.162
  523   HE22  GLN  63          HE21      GLN  63  -0.114   2.279   3.237
  524    H    GLY  64           H        GLY  64   1.827   8.370   0.886
  525    HA2  GLY  64           HA2      GLY  64   3.171   7.192  -1.273
  526    HA3  GLY  64           HA3      GLY  64   2.281   8.736  -1.319
  527    H    LEU  65           H        LEU  65   4.140  10.132   0.541
  528    HA   LEU  65           HA       LEU  65   6.201  10.834  -1.417
  529    HB2  LEU  65           HB2      LEU  65   5.795  11.655   1.499
  530    HB3  LEU  65           HB3      LEU  65   6.988  12.344   0.399
  531    HG   LEU  65           HG       LEU  65   3.983  12.534  -0.014
  532   HD11  LEU  65          HD11      LEU  65   6.073  14.528   0.947
  533   HD12  LEU  65          HD12      LEU  65   4.389  14.931   0.564
  534   HD13  LEU  65          HD13      LEU  65   4.751  13.828   1.910
  535   HD21  LEU  65          HD21      LEU  65   5.126  12.594  -2.168
  536   HD22  LEU  65          HD22      LEU  65   4.648  14.235  -1.729
  537   HD23  LEU  65          HD23      LEU  65   6.335  13.738  -1.536
  538    H    LYS  66           H        LYS  66   6.236   9.037   1.689
  539    HA   LYS  66           HA       LYS  66   9.070   8.562   1.721
  540    HB2  LYS  66           HB2      LYS  66   6.732   6.988   2.897
  541    HB3  LYS  66           HB3      LYS  66   8.441   6.636   3.207
  542    HG2  LYS  66           HG2      LYS  66   8.758   8.916   4.133
  543    HG3  LYS  66           HG3      LYS  66   7.034   9.254   3.893
  544    HD2  LYS  66           HD2      LYS  66   6.461   7.387   5.430
  545    HD3  LYS  66           HD3      LYS  66   8.195   7.050   5.655
  546    HE2  LYS  66           HE2      LYS  66   8.513   9.371   6.526
  547    HE3  LYS  66           HE3      LYS  66   6.780   9.673   6.340
  548    HZ1  LYS  66           HZ1      LYS  66   7.968   7.614   8.127
  549    HZ2  LYS  66           HZ2      LYS  66   7.337   9.039   8.617
  550    HZ3  LYS  66           HZ3      LYS  66   6.364   7.901   7.959
  551    H    GLU  67           H        GLU  67   6.371   6.700   0.257
  552    HA   GLU  67           HA       GLU  67   7.972   4.578  -0.786
  553    HB2  GLU  67           HB2      GLU  67   5.407   4.792  -0.482
  554    HB3  GLU  67           HB3      GLU  67   5.394   5.565  -2.061
  555    HG2  GLU  67           HG2      GLU  67   6.473   2.782  -1.401
  556    HG3  GLU  67           HG3      GLU  67   4.871   3.118  -2.053
  557    H    TYR  68           H        TYR  68   6.732   7.561  -2.448
  558    HA   TYR  68           HA       TYR  68   7.941   7.009  -4.948
  559    HB2  TYR  68           HB2      TYR  68   5.993   8.472  -4.504
  560    HB3  TYR  68           HB3      TYR  68   7.038   9.627  -3.695
  561    HD1  TYR  68           HD1      TYR  68   6.899   7.817  -7.021
  562    HD2  TYR  68           HD2      TYR  68   7.531  11.536  -4.933
  563    HE1  TYR  68           HE1      TYR  68   6.999   9.009  -9.193
  564    HE2  TYR  68           HE2      TYR  68   7.574  12.740  -7.096
  565    HH   TYR  68           HH       TYR  68   7.216  11.040 -10.231
  566    H    SER  69           H        SER  69   9.164   8.993  -2.228
  567    HA   SER  69           HA       SER  69  11.576   9.798  -3.731
  568    HB2  SER  69           HB2      SER  69  12.174  11.008  -1.734
  569    HB3  SER  69           HB3      SER  69  10.471  11.314  -2.095
  570    HG   SER  69           HG       SER  69   9.856  10.023  -0.433
  571    H    SER  70           H        SER  70  10.783   7.287  -1.407
  572    HA   SER  70           HA       SER  70  11.897   5.510  -0.556
  573    HB2  SER  70           HB2      SER  70  14.473   6.386  -1.901
  574    HB3  SER  70           HB3      SER  70  14.122   4.843  -1.133
  575    HG   SER  70           HG       SER  70  12.801   5.894  -3.415
  576    H    TRP  71           H        TRP  71  12.471   8.737   0.102
  577    HA   TRP  71           HA       TRP  71  14.444   8.466   2.230
  578    HB2  TRP  71           HB2      TRP  71  12.533  10.670   1.388
  579    HB3  TRP  71           HB3      TRP  71  13.523  10.786   2.822
  580    HD1  TRP  71           HD1      TRP  71  14.283  10.070  -0.914
  581    HE1  TRP  71           HE1      TRP  71  16.370  11.378  -1.589
  582    HE3  TRP  71           HE3      TRP  71  15.311  12.320   3.577
  583    HZ2  TRP  71           HZ2      TRP  71  18.273  13.158  -0.343
  584    HZ3  TRP  71           HZ3      TRP  71  17.280  13.806   3.802
  585    HH2  TRP  71           HH2      TRP  71  18.777  14.217   1.862
  586    HA   PRO  72           HA       PRO  72  11.236   7.594   5.381
  587    HB2  PRO  72           HB2      PRO  72  12.812   7.359   7.573
  588    HB3  PRO  72           HB3      PRO  72  12.810   6.122   6.278
  589    HG2  PRO  72           HG2      PRO  72  14.787   8.388   6.692
  590    HG3  PRO  72           HG3      PRO  72  15.130   6.661   6.364
  591    HD2  PRO  72           HD2      PRO  72  15.081   8.602   4.403
  592    HD3  PRO  72           HD3      PRO  72  14.645   6.896   4.089
  593    H    THR  73           H        THR  73  13.604  10.218   5.343
  594    HA   THR  73           HA       THR  73  12.416  11.654   7.599
  595    HB   THR  73           HB       THR  73  14.802  12.328   5.828
  596    HG1  THR  73           HG1      THR  73  14.677  11.066   8.370
  597   HG21  THR  73          HG21      THR  73  15.522  13.653   7.836
  598   HG22  THR  73          HG22      THR  73  14.078  14.295   7.042
  599   HG23  THR  73          HG23      THR  73  13.917  13.374   8.552
  600    H    PHE  74           H        PHE  74  11.163  13.310   7.528
  601    HA   PHE  74           HA       PHE  74  11.074  15.181   5.250
  602    HB2  PHE  74           HB2      PHE  74   8.693  13.715   6.459
  603    HB3  PHE  74           HB3      PHE  74   8.515  15.260   5.645
  604    HD1  PHE  74           HD2      PHE  74   9.490  11.695   5.137
  605    HD2  PHE  74           HD1      PHE  74   8.668  15.484   3.251
  606    HE1  PHE  74           HE2      PHE  74   9.641  10.624   2.900
  607    HE2  PHE  74           HE1      PHE  74   8.774  14.388   1.023
  608    HZ   PHE  74           HZ       PHE  74   9.313  11.974   0.848
  609    HA   PRO  75           HA       PRO  75   9.481  17.278   5.103
  610    HB2  PRO  75           HB2      PRO  75  10.203  19.894   5.131
  611    HB3  PRO  75           HB3      PRO  75   8.875  19.265   6.157
  612    HG2  PRO  75           HG2      PRO  75  11.758  19.704   6.983
  613    HG3  PRO  75           HG3      PRO  75  10.273  20.336   7.772
  614    HD2  PRO  75           HD2      PRO  75  11.433  18.039   8.624
  615    HD3  PRO  75           HD3      PRO  75   9.655  18.191   8.551
  616    H    GLN  76           H        GLN  76  10.487  18.274   3.115
  617    HA   GLN  76           HA       GLN  76  13.353  18.520   2.937
  618    HB2  GLN  76           HB2      GLN  76  13.837  16.659   1.446
  619    HB3  GLN  76           HB3      GLN  76  13.304  16.067   3.010
  620    HG2  GLN  76           HG2      GLN  76  11.097  15.539   2.114
  621    HG3  GLN  76           HG3      GLN  76  11.502  16.277   0.555
  622   HE21  GLN  76          HE22      GLN  76  12.321  13.487   2.726
  623   HE22  GLN  76          HE21      GLN  76  13.033  12.571   1.402
  624    H    LEU  77           H        LEU  77  14.141  18.962   0.821
  625    HA   LEU  77           HA       LEU  77  12.255  20.497  -0.869
  626    HB2  LEU  77           HB2      LEU  77  14.459  21.296   0.361
  627    HB3  LEU  77           HB3      LEU  77  15.295  20.461  -0.923
  628    HG   LEU  77           HG       LEU  77  13.498  22.906  -1.069
  629   HD11  LEU  77          HD11      LEU  77  15.566  24.006  -1.828
  630   HD12  LEU  77          HD12      LEU  77  15.803  23.178  -0.286
  631   HD13  LEU  77          HD13      LEU  77  16.428  22.454  -1.781
  632   HD21  LEU  77          HD21      LEU  77  14.649  21.363  -3.412
  633   HD22  LEU  77          HD22      LEU  77  12.948  21.832  -3.139
  634   HD23  LEU  77          HD23      LEU  77  14.145  23.065  -3.514
  635    H    TYR  78           H        TYR  78  12.013  20.060  -3.023
  636    HA   TYR  78           HA       TYR  78  13.387  17.766  -4.340
  637    HB2  TYR  78           HB2      TYR  78  11.348  16.984  -3.217
  638    HB3  TYR  78           HB3      TYR  78  10.417  18.291  -3.919
  639    HD1  TYR  78           HD2      TYR  78  12.821  15.860  -5.497
  640    HD2  TYR  78           HD1      TYR  78   8.758  17.214  -5.184
  641    HE1  TYR  78           HE2      TYR  78  12.159  14.188  -7.181
  642    HE2  TYR  78           HE1      TYR  78   8.067  15.502  -6.833
  643    HH   TYR  78           HH       TYR  78  10.419  13.254  -8.349
  644    H    ILE  79           H        ILE  79  13.898  18.223  -6.504
  645    HA   ILE  79           HA       ILE  79  12.508  20.522  -7.811
  646    HB   ILE  79           HB       ILE  79  15.527  20.281  -7.909
  647   HG12  ILE  79          HG12      ILE  79  13.928  22.091  -6.055
  648   HG13  ILE  79          HG13      ILE  79  14.975  20.748  -5.572
  649   HG21  ILE  79          HG21      ILE  79  15.314  22.571  -8.864
  650   HG22  ILE  79          HG22      ILE  79  14.324  21.442  -9.771
  651   HG23  ILE  79          HG23      ILE  79  13.554  22.523  -8.601
  652   HD11  ILE  79          HD11      ILE  79  15.883  23.345  -6.843
  653   HD12  ILE  79          HD12      ILE  79  16.168  22.781  -5.197
  654   HD13  ILE  79          HD13      ILE  79  16.935  21.936  -6.553
  655    H    ASP  80           H        ASP  80  11.746  19.922  -9.696
  656    HA   ASP  80           HA       ASP  80  11.457  18.875 -11.704
  657    HB2  ASP  80           HB2      ASP  80  13.204  20.609 -12.012
  658    HB3  ASP  80           HB3      ASP  80  14.438  19.355 -11.889
  659    H    GLY  81           H        GLY  81  11.770  16.903  -9.634
  660    HA2  GLY  81           HA2      GLY  81  11.555  14.552  -9.814
  661    HA3  GLY  81           HA3      GLY  81  12.567  14.546 -11.269
  662    H    GLU  82           H        GLU  82  14.289  16.445  -9.187
  663    HA   GLU  82           HA       GLU  82  15.859  14.151  -8.091
  664    HB2  GLU  82           HB2      GLU  82  16.652  17.063  -8.497
  665    HB3  GLU  82           HB3      GLU  82  17.676  15.792  -7.840
  666    HG2  GLU  82           HG2      GLU  82  16.538  15.914 -10.668
  667    HG3  GLU  82           HG3      GLU  82  18.201  16.245 -10.196
  668    H    PHE  83           H        PHE  83  15.623  13.687  -6.011
  669    HA   PHE  83           HA       PHE  83  14.351  15.495  -4.099
  670    HB2  PHE  83           HB2      PHE  83  15.613  12.761  -3.731
  671    HB3  PHE  83           HB3      PHE  83  14.671  13.637  -2.530
  672    HD1  PHE  83           HD2      PHE  83  12.221  14.071  -2.902
  673    HD2  PHE  83           HD1      PHE  83  14.513  11.564  -5.557
  674    HE1  PHE  83           HE2      PHE  83  10.118  13.174  -3.877
  675    HE2  PHE  83           HE1      PHE  83  12.411  10.678  -6.535
  676    HZ   PHE  83           HZ       PHE  83  10.211  11.488  -5.701
  677    H    PHE  84           H        PHE  84  15.413  17.179  -3.369
  678    HA   PHE  84           HA       PHE  84  18.320  17.313  -3.501
  679    HB2  PHE  84           HB2      PHE  84  16.528  19.062  -4.206
  680    HB3  PHE  84           HB3      PHE  84  16.438  19.459  -2.502
  681    HD1  PHE  84           HD2      PHE  84  18.536  20.350  -1.322
  682    HD2  PHE  84           HD1      PHE  84  18.339  19.745  -5.591
  683    HE1  PHE  84           HE2      PHE  84  20.577  21.715  -1.617
  684    HE2  PHE  84           HE1      PHE  84  20.363  21.146  -5.882
  685    HZ   PHE  84           HZ       PHE  84  21.498  22.124  -3.896
  686    H    GLY  85           H        GLY  85  15.872  17.117  -0.942
  687    HA2  GLY  85           HA2      GLY  85  16.360  15.846   1.027
  688    HA3  GLY  85           HA3      GLY  85  18.043  16.391   0.977
  689    H    GLY  86           H        GLY  86  17.954  16.921   3.150
  690    HA2  GLY  86           HA2      GLY  86  15.840  18.508   4.323
  691    HA3  GLY  86           HA3      GLY  86  17.310  17.935   5.124
  692    H    CYS  87           H        CYS  87  16.549  20.190   6.020
  693    HA   CYS  87           HA       CYS  87  17.141  22.559   4.554
  694    HB2  CYS  87           HB2      CYS  87  16.961  23.641   6.804
  695    HB3  CYS  87           HB3      CYS  87  15.596  22.585   6.409
  696    HG   CYS  87           HG       CYS  87  16.233  22.371   9.006
  697    H    ASP  88           H        ASP  88  19.197  20.852   6.950
  698    HA   ASP  88           HA       ASP  88  21.386  22.640   6.853
  699    HB2  ASP  88           HB2      ASP  88  21.090  20.838   8.516
  700    HB3  ASP  88           HB3      ASP  88  21.393  19.624   7.266
  701    H    ILE  89           H        ILE  89  20.757  19.761   4.830
  702    HA   ILE  89           HA       ILE  89  23.057  19.974   3.112
  703    HB   ILE  89           HB       ILE  89  20.275  18.853   2.515
  704   HG12  ILE  89          HG12      ILE  89  22.832  17.446   3.418
  705   HG13  ILE  89          HG13      ILE  89  21.433  17.759   4.443
  706   HG21  ILE  89          HG21      ILE  89  22.910  18.425   1.029
  707   HG22  ILE  89          HG22      ILE  89  21.367  17.619   0.664
  708   HG23  ILE  89          HG23      ILE  89  21.521  19.347   0.422
  709   HD11  ILE  89          HD11      ILE  89  21.319  15.478   3.775
  710   HD12  ILE  89          HD12      ILE  89  20.026  16.345   2.916
  711   HD13  ILE  89          HD13      ILE  89  21.518  15.874   2.067
  712    H    THR  90           H        THR  90  19.796  21.389   2.832
  713    HA   THR  90           HA       THR  90  20.185  22.772   0.361
  714    HB   THR  90           HB       THR  90  18.346  23.518   2.669
  715    HG1  THR  90           HG1      THR  90  17.925  21.432   1.930
  716   HG21  THR  90          HG21      THR  90  17.011  24.624   0.947
  717   HG22  THR  90          HG22      THR  90  18.605  25.348   0.982
  718   HG23  THR  90          HG23      THR  90  18.190  24.183  -0.301
  719    H    VAL  91           H        VAL  91  20.589  23.942   3.722
  720    HA   VAL  91           HA       VAL  91  21.359  26.591   3.002
  721    HB   VAL  91           HB       VAL  91  21.809  24.938   5.503
  722   HG11  VAL  91          HG11      VAL  91  22.419  27.060   6.672
  723   HG12  VAL  91          HG12      VAL  91  23.648  26.548   5.519
  724   HG13  VAL  91          HG13      VAL  91  22.537  27.870   5.090
  725   HG21  VAL  91          HG21      VAL  91  19.469  25.713   4.920
  726   HG22  VAL  91          HG22      VAL  91  20.072  26.408   6.432
  727   HG23  VAL  91          HG23      VAL  91  20.054  27.381   4.948
  728    H    GLU  92           H        GLU  92  23.435  23.677   3.592
  729    HA   GLU  92           HA       GLU  92  25.879  25.157   3.092
  730    HB2  GLU  92           HB2      GLU  92  25.291  22.180   3.115
  731    HB3  GLU  92           HB3      GLU  92  26.900  22.880   2.956
  732    HG2  GLU  92           HG2      GLU  92  25.043  23.209   5.348
  733    HG3  GLU  92           HG3      GLU  92  26.455  22.169   5.268
  734    H    ALA  93           H        ALA  93  23.707  23.235   0.971
  735    HA   ALA  93           HA       ALA  93  25.342  23.399  -1.384
  736    HB1  ALA  93           HB1      ALA  93  22.322  23.181  -1.004
  737    HB2  ALA  93           HB2      ALA  93  23.190  22.851  -2.511
  738    HB3  ALA  93           HB3      ALA  93  23.467  21.824  -1.097
  739    H    TYR  94           H        TYR  94  22.882  25.629  -0.029
  740    HA   TYR  94           HA       TYR  94  22.914  27.513  -2.186
  741    HB2  TYR  94           HB2      TYR  94  21.129  27.346  -0.507
  742    HB3  TYR  94           HB3      TYR  94  22.234  27.803   0.771
  743    HD1  TYR  94           HD1      TYR  94  21.075  29.101  -2.588
  744    HD2  TYR  94           HD2      TYR  94  22.109  30.026   1.497
  745    HE1  TYR  94           HE1      TYR  94  20.446  31.475  -2.967
  746    HE2  TYR  94           HE2      TYR  94  21.476  32.401   1.120
  747    HH   TYR  94           HH       TYR  94  20.243  33.571  -2.036
  748    H    LYS  95           H        LYS  95  24.845  27.375   0.841
  749    HA   LYS  95           HA       LYS  95  26.477  29.708   0.324
  750    HB2  LYS  95           HB2      LYS  95  26.984  27.128   1.866
  751    HB3  LYS  95           HB3      LYS  95  28.098  28.491   1.856
  752    HG2  LYS  95           HG2      LYS  95  26.507  29.934   2.968
  753    HG3  LYS  95           HG3      LYS  95  25.221  28.724   2.830
  754    HD2  LYS  95           HD2      LYS  95  26.643  27.129   4.155
  755    HD3  LYS  95           HD3      LYS  95  27.823  28.432   4.405
  756    HE2  LYS  95           HE2      LYS  95  26.121  29.762   5.600
  757    HE3  LYS  95           HE3      LYS  95  24.893  28.532   5.254
  758    HZ1  LYS  95           HZ1      LYS  95  26.288  26.931   6.521
  759    HZ2  LYS  95           HZ2      LYS  95  27.309  28.137   6.936
  760    HZ3  LYS  95           HZ3      LYS  95  25.762  28.178   7.468
  761    H    SER  96           H        SER  96  26.830  26.276  -0.617
  762    HA   SER  96           HA       SER  96  29.431  26.623  -1.870
  763    HB2  SER  96           HB2      SER  96  27.392  24.387  -2.207
  764    HB3  SER  96           HB3      SER  96  29.111  24.330  -2.626
  765    HG   SER  96           HG       SER  96  27.904  24.469  -0.050
  766    H    GLY  97           H        GLY  97  26.223  27.296  -3.017
  767    HA2  GLY  97           HA2      GLY  97  25.673  28.398  -5.025
  768    HA3  GLY  97           HA3      GLY  97  27.220  27.896  -5.751
  769    H    GLU  98           H        GLU  98  25.927  25.201  -4.309
  770    HA   GLU  98           HA       GLU  98  25.401  23.899  -6.842
  771    HB2  GLU  98           HB2      GLU  98  24.898  22.978  -3.982
  772    HB3  GLU  98           HB3      GLU  98  24.829  21.947  -5.406
  773    HG2  GLU  98           HG2      GLU  98  27.312  23.407  -4.387
  774    HG3  GLU  98           HG3      GLU  98  26.935  21.714  -4.120
  775    H    LEU  99           H        LEU  99  23.255  24.859  -4.084
  776    HA   LEU  99           HA       LEU  99  20.802  24.103  -5.379
  777    HB2  LEU  99           HB2      LEU  99  21.067  24.607  -2.921
  778    HB3  LEU  99           HB3      LEU  99  21.338  26.302  -3.325
  779    HG   LEU  99           HG       LEU  99  19.000  26.317  -4.380
  780   HD11  LEU  99          HD11      LEU  99  18.719  23.696  -2.846
  781   HD12  LEU  99          HD12      LEU  99  17.419  24.581  -3.655
  782   HD13  LEU  99          HD13      LEU  99  18.704  23.849  -4.618
  783   HD21  LEU  99          HD21      LEU  99  19.374  25.808  -1.410
  784   HD22  LEU  99          HD22      LEU  99  19.391  27.367  -2.256
  785   HD23  LEU  99          HD23      LEU  99  17.882  26.458  -2.133
  786    H    GLN 100           H        GLN 100  22.673  27.127  -5.384
  787    HA   GLN 100           HA       GLN 100  20.809  28.740  -6.830
  788    HB2  GLN 100           HB2      GLN 100  23.857  28.967  -6.821
  789    HB3  GLN 100           HB3      GLN 100  22.700  30.198  -7.319
  790    HG2  GLN 100           HG2      GLN 100  21.767  30.178  -4.953
  791    HG3  GLN 100           HG3      GLN 100  23.073  29.091  -4.499
  792   HE21  GLN 100          HE22      GLN 100  24.474  30.366  -3.200
  793   HE22  GLN 100          HE21      GLN 100  25.068  31.926  -3.739
  794    H    GLU 101           H        GLU 101  23.569  26.743  -8.066
  795    HA   GLU 101           HA       GLU 101  22.995  27.174 -10.805
  796    HB2  GLU 101           HB2      GLU 101  25.122  26.235  -9.854
  797    HB3  GLU 101           HB3      GLU 101  24.270  24.711  -9.547
  798    HG2  GLU 101           HG2      GLU 101  23.728  24.596 -12.017
  799    HG3  GLU 101           HG3      GLU 101  24.678  26.061 -12.261
  800    H    GLN 102           H        GLN 102  21.931  24.438  -8.634
  801    HA   GLN 102           HA       GLN 102  20.552  23.123 -10.754
  802    HB2  GLN 102           HB2      GLN 102  20.278  22.896  -7.735
  803    HB3  GLN 102           HB3      GLN 102  19.422  21.852  -8.874
  804    HG2  GLN 102           HG2      GLN 102  22.469  22.092  -8.786
  805    HG3  GLN 102           HG3      GLN 102  21.549  20.865  -7.932
  806   HE21  GLN 102          HE22      GLN 102  20.241  19.290  -9.288
  807   HE22  GLN 102          HE21      GLN 102  20.806  18.988 -10.923
  808    H    VAL 103           H        VAL 103  19.293  25.507  -8.368
  809    HA   VAL 103           HA       VAL 103  16.543  25.255  -9.178
  810    HB   VAL 103           HB       VAL 103  18.092  27.533  -7.907
  811   HG11  VAL 103          HG11      VAL 103  15.093  27.399  -8.466
  812   HG12  VAL 103          HG12      VAL 103  15.851  28.530  -7.324
  813   HG13  VAL 103          HG13      VAL 103  16.240  28.629  -9.041
  814   HG21  VAL 103          HG21      VAL 103  16.954  26.879  -5.879
  815   HG22  VAL 103          HG22      VAL 103  15.919  25.729  -6.747
  816   HG23  VAL 103          HG23      VAL 103  17.653  25.407  -6.567
  817    H    GLU 104           H        GLU 104  19.206  27.419 -10.391
  818    HA   GLU 104           HA       GLU 104  17.578  28.747 -12.323
  819    HB2  GLU 104           HB2      GLU 104  19.760  29.575 -11.503
  820    HB3  GLU 104           HB3      GLU 104  20.583  28.233 -12.318
  821    HG2  GLU 104           HG2      GLU 104  19.811  29.071 -14.511
  822    HG3  GLU 104           HG3      GLU 104  18.869  30.340 -13.718
  823    H    LYS 105           H        LYS 105  19.721  25.864 -12.571
  824    HA   LYS 105           HA       LYS 105  19.338  25.312 -15.318
  825    HB2  LYS 105           HB2      LYS 105  21.078  24.456 -13.756
  826    HB3  LYS 105           HB3      LYS 105  19.875  23.400 -13.002
  827    HG2  LYS 105           HG2      LYS 105  19.576  22.263 -15.240
  828    HG3  LYS 105           HG3      LYS 105  20.875  23.276 -15.888
  829    HD2  LYS 105           HD2      LYS 105  21.100  21.297 -13.579
  830    HD3  LYS 105           HD3      LYS 105  21.686  21.033 -15.226
  831    HE2  LYS 105           HE2      LYS 105  23.345  22.812 -14.997
  832    HE3  LYS 105           HE3      LYS 105  22.671  23.300 -13.436
  833    HZ1  LYS 105           HZ1      LYS 105  24.042  20.729 -13.966
  834    HZ2  LYS 105           HZ2      LYS 105  24.599  21.983 -13.044
  835    HZ3  LYS 105           HZ3      LYS 105  23.301  21.125 -12.547
  836    H    ALA 106           H        ALA 106  17.405  24.164 -12.491
  837    HA   ALA 106           HA       ALA 106  15.550  22.571 -13.982
  838    HB1  ALA 106           HB1      ALA 106  15.827  22.436 -11.549
  839    HB2  ALA 106           HB2      ALA 106  15.236  24.102 -11.352
  840    HB3  ALA 106           HB3      ALA 106  14.148  22.836 -11.949
  841    H    MET 107           H        MET 107  15.396  26.070 -13.050
  842    HA   MET 107           HA       MET 107  12.835  26.526 -14.288
  843    HB2  MET 107           HB2      MET 107  15.083  28.419 -13.495
  844    HB3  MET 107           HB3      MET 107  13.512  28.960 -14.097
  845    HG2  MET 107           HG2      MET 107  13.901  27.212 -11.639
  846    HG3  MET 107           HG3      MET 107  13.689  28.959 -11.602
  847    HE1  MET 107           HE1      MET 107  10.454  27.132 -10.112
  848    HE2  MET 107           HE2      MET 107  12.058  26.373 -10.230
  849    HE3  MET 107           HE3      MET 107  11.912  28.063  -9.709
  850    H    CYS 108           H        CYS 108  16.149  26.761 -15.594
  851    HA   CYS 108           HA       CYS 108  15.317  27.743 -18.198
  852    HB2  CYS 108           HB2      CYS 108  17.828  26.228 -17.317
  853    HB3  CYS 108           HB3      CYS 108  17.599  27.025 -18.883
  854    HG   CYS 108           HG       CYS 108  17.609  28.322 -15.834
  855    H    SER 109           H        SER 109  15.929  24.477 -16.922
  856    HA   SER 109           HA       SER 109  15.645  22.376 -17.679
  857    HB2  SER 109           HB2      SER 109  13.182  23.648 -18.913
  858    HB3  SER 109           HB3      SER 109  13.516  21.911 -19.021
  859    HG   SER 109           HG       SER 109  13.556  23.306 -16.535
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  -0.750   2.345   2.853
    2    H2   MET   1           H2       MET   1  -1.499   1.708   1.545
    3    H3   MET   1           H3       MET   1  -1.180   0.761   2.838
    4    HA   MET   1           HA       MET   1   1.153   0.865   2.528
    5    HB2  MET   1           HB2      MET   1  -0.054  -0.899   1.306
    6    HB3  MET   1           HB3      MET   1  -0.232   0.152  -0.096
    7    HG2  MET   1           HG2      MET   1   1.585  -1.429  -0.413
    8    HG3  MET   1           HG3      MET   1   2.218   0.212  -0.385
    9    HE1  MET   1           HE1      MET   1   4.671  -0.678  -0.146
   10    HE2  MET   1           HE2      MET   1   5.191  -1.863   1.071
   11    HE3  MET   1           HE3      MET   1   4.059  -2.348  -0.216
   12    H    ALA   2           H        ALA   2  -0.002   2.309  -0.607
   13    HA   ALA   2           HA       ALA   2   1.797   4.620  -0.282
   14    HB1  ALA   2           HB1      ALA   2   3.114   4.001  -2.304
   15    HB2  ALA   2           HB2      ALA   2   3.307   2.789  -1.030
   16    HB3  ALA   2           HB3      ALA   2   2.237   2.461  -2.407
   17    H    LEU   3           H        LEU   3   1.800   5.893  -2.457
   18    HA   LEU   3           HA       LEU   3  -0.970   6.460  -3.142
   19    HB2  LEU   3           HB2      LEU   3  -0.022   8.273  -4.533
   20    HB3  LEU   3           HB3      LEU   3   0.426   8.308  -2.843
   21    HG   LEU   3           HG       LEU   3   2.703   7.573  -3.362
   22   HD11  LEU   3          HD11      LEU   3   1.759   7.432  -6.244
   23   HD12  LEU   3          HD12      LEU   3   3.470   7.559  -5.780
   24   HD13  LEU   3          HD13      LEU   3   2.536   6.155  -5.278
   25   HD21  LEU   3          HD21      LEU   3   2.156   9.972  -3.390
   26   HD22  LEU   3          HD22      LEU   3   3.412   9.602  -4.580
   27   HD23  LEU   3          HD23      LEU   3   1.744   9.873  -5.113
   28    H    THR   4           H        THR   4  -1.592   6.862  -5.406
   29    HA   THR   4           HA       THR   4  -0.758   5.547  -7.675
   30    HB   THR   4           HB       THR   4  -0.967   3.408  -6.609
   31    HG1  THR   4           HG1      THR   4  -1.458   3.562  -8.790
   32   HG21  THR   4          HG21      THR   4  -2.764   3.784  -4.956
   33   HG22  THR   4          HG22      THR   4  -3.951   3.910  -6.287
   34   HG23  THR   4          HG23      THR   4  -3.086   2.389  -5.993
   35    HA   PRO   5           HA       PRO   5  -5.215   7.181  -8.381
   36    HB2  PRO   5           HB2      PRO   5  -5.565   9.003  -6.023
   37    HB3  PRO   5           HB3      PRO   5  -6.779   8.003  -6.879
   38    HG2  PRO   5           HG2      PRO   5  -5.848   7.255  -4.452
   39    HG3  PRO   5           HG3      PRO   5  -6.030   6.022  -5.750
   40    HD2  PRO   5           HD2      PRO   5  -3.532   7.576  -4.999
   41    HD3  PRO   5           HD3      PRO   5  -3.740   5.807  -5.110
   42    H    ALA   6           H        ALA   6  -5.997   9.754  -8.492
   43    HA   ALA   6           HA       ALA   6  -4.032  11.129  -9.976
   44    HB1  ALA   6           HB1      ALA   6  -6.478  11.334 -10.272
   45    HB2  ALA   6           HB2      ALA   6  -6.611  12.151  -8.692
   46    HB3  ALA   6           HB3      ALA   6  -5.730  12.922 -10.027
   47    H    LEU   7           H        LEU   7  -3.990  10.877  -6.627
   48    HA   LEU   7           HA       LEU   7  -3.030  13.438  -5.768
   49    HB2  LEU   7           HB2      LEU   7  -3.725  11.615  -4.291
   50    HB3  LEU   7           HB3      LEU   7  -2.394  10.595  -4.820
   51    HG   LEU   7           HG       LEU   7  -1.799  13.305  -3.578
   52   HD11  LEU   7          HD11      LEU   7  -1.809  12.260  -1.346
   53   HD12  LEU   7          HD12      LEU   7  -3.419  12.230  -2.065
   54   HD13  LEU   7          HD13      LEU   7  -2.433  10.755  -2.043
   55   HD21  LEU   7          HD21      LEU   7  -0.349  10.614  -3.515
   56   HD22  LEU   7          HD22      LEU   7   0.152  12.026  -4.464
   57   HD23  LEU   7          HD23      LEU   7   0.206  12.085  -2.703
   58    H    LYS   8           H        LYS   8  -1.244  10.570  -7.067
   59    HA   LYS   8           HA       LYS   8   1.321  11.821  -7.028
   60    HB2  LYS   8           HB2      LYS   8   0.708   9.327  -7.349
   61    HB3  LYS   8           HB3      LYS   8   0.431   9.721  -9.055
   62    HG2  LYS   8           HG2      LYS   8   2.816  10.733  -9.036
   63    HG3  LYS   8           HG3      LYS   8   2.996  10.014  -7.430
   64    HD2  LYS   8           HD2      LYS   8   2.589   7.756  -8.433
   65    HD3  LYS   8           HD3      LYS   8   2.403   8.517 -10.026
   66    HE2  LYS   8           HE2      LYS   8   4.721   9.449  -9.833
   67    HE3  LYS   8           HE3      LYS   8   4.915   8.634  -8.278
   68    HZ1  LYS   8           HZ1      LYS   8   5.872   7.325 -10.080
   69    HZ2  LYS   8           HZ2      LYS   8   4.606   6.500  -9.443
   70    HZ3  LYS   8           HZ3      LYS   8   4.450   7.265 -10.884
   71    H    THR   9           H        THR   9  -1.093  11.644  -9.694
   72    HA   THR   9           HA       THR   9   0.186  13.160 -11.652
   73    HB   THR   9           HB       THR   9  -2.757  13.257 -11.155
   74    HG1  THR   9           HG1      THR   9  -2.707  11.189 -12.322
   75   HG21  THR   9          HG21      THR   9  -1.820  14.428 -13.126
   76   HG22  THR   9          HG22      THR   9  -1.051  12.906 -13.648
   77   HG23  THR   9          HG23      THR   9  -2.829  13.050 -13.607
   78    H    THR  10           H        THR  10  -1.760  14.290  -8.884
   79    HA   THR  10           HA       THR  10  -1.757  17.089  -9.606
   80    HB   THR  10           HB       THR  10  -2.070  15.817  -6.848
   81    HG1  THR  10           HG1      THR  10  -3.594  15.045  -8.309
   82   HG21  THR  10          HG21      THR  10  -1.681  18.240  -6.684
   83   HG22  THR  10          HG22      THR  10  -2.895  18.546  -7.942
   84   HG23  THR  10          HG23      THR  10  -3.382  17.877  -6.367
   85    H    LEU  11           H        LEU  11   0.312  15.201  -7.335
   86    HA   LEU  11           HA       LEU  11   2.095  17.346  -6.692
   87    HB2  LEU  11           HB2      LEU  11   2.658  14.350  -6.857
   88    HB3  LEU  11           HB3      LEU  11   3.706  15.545  -6.107
   89    HG   LEU  11           HG       LEU  11   0.944  14.705  -5.150
   90   HD11  LEU  11          HD11      LEU  11   3.717  14.392  -3.927
   91   HD12  LEU  11          HD12      LEU  11   2.186  13.870  -3.194
   92   HD13  LEU  11          HD13      LEU  11   2.754  13.108  -4.685
   93   HD21  LEU  11          HD21      LEU  11   1.401  16.187  -3.174
   94   HD22  LEU  11          HD22      LEU  11   2.753  16.900  -4.084
   95   HD23  LEU  11          HD23      LEU  11   1.088  17.064  -4.670
   96    H    ASP  12           H        ASP  12   2.347  14.903  -9.325
   97    HA   ASP  12           HA       ASP  12   4.715  15.888 -10.495
   98    HB2  ASP  12           HB2      ASP  12   3.676  13.733 -11.041
   99    HB3  ASP  12           HB3      ASP  12   2.319  14.563 -11.816
  100    H    LYS  13           H        LYS  13   1.307  16.856 -11.292
  101    HA   LYS  13           HA       LYS  13   1.997  18.889 -13.181
  102    HB2  LYS  13           HB2      LYS  13  -0.397  18.428 -11.365
  103    HB3  LYS  13           HB3      LYS  13  -0.295  19.840 -12.426
  104    HG2  LYS  13           HG2      LYS  13  -0.106  18.476 -14.405
  105    HG3  LYS  13           HG3      LYS  13  -0.018  16.987 -13.452
  106    HD2  LYS  13           HD2      LYS  13  -2.288  17.376 -12.578
  107    HD3  LYS  13           HD3      LYS  13  -2.419  18.879 -13.501
  108    HE2  LYS  13           HE2      LYS  13  -1.967  16.113 -14.732
  109    HE3  LYS  13           HE3      LYS  13  -3.562  16.848 -14.514
  110    HZ1  LYS  13           HZ1      LYS  13  -2.756  17.236 -16.743
  111    HZ2  LYS  13           HZ2      LYS  13  -2.865  18.667 -15.970
  112    HZ3  LYS  13           HZ3      LYS  13  -1.402  17.973 -16.214
  113    H    VAL  14           H        VAL  14   1.519  19.213  -9.615
  114    HA   VAL  14           HA       VAL  14   2.221  21.973  -9.514
  115    HB   VAL  14           HB       VAL  14   2.472  19.856  -7.440
  116   HG11  VAL  14          HG11      VAL  14   2.927  22.848  -7.094
  117   HG12  VAL  14          HG12      VAL  14   2.693  21.704  -5.752
  118   HG13  VAL  14          HG13      VAL  14   4.106  21.554  -6.791
  119   HG21  VAL  14          HG21      VAL  14   0.158  20.503  -8.147
  120   HG22  VAL  14          HG22      VAL  14   0.491  20.938  -6.467
  121   HG23  VAL  14          HG23      VAL  14   0.529  22.186  -7.734
  122    H    VAL  15           H        VAL  15   4.362  19.103  -9.150
  123    HA   VAL  15           HA       VAL  15   6.797  20.501  -8.809
  124    HB   VAL  15           HB       VAL  15   6.091  17.754  -9.670
  125   HG11  VAL  15          HG11      VAL  15   8.941  18.742  -9.358
  126   HG12  VAL  15          HG12      VAL  15   8.433  17.042  -9.473
  127   HG13  VAL  15          HG13      VAL  15   8.193  18.106 -10.849
  128   HG21  VAL  15          HG21      VAL  15   5.834  18.442  -7.268
  129   HG22  VAL  15          HG22      VAL  15   7.020  17.146  -7.481
  130   HG23  VAL  15          HG23      VAL  15   7.565  18.815  -7.226
  131    H    THR  16           H        THR  16   5.224  19.503 -11.865
  132    HA   THR  16           HA       THR  16   7.519  20.412 -13.464
  133    HB   THR  16           HB       THR  16   6.024  19.872 -15.409
  134    HG1  THR  16           HG1      THR  16   4.404  18.630 -13.468
  135   HG21  THR  16          HG21      THR  16   7.636  18.236 -14.538
  136   HG22  THR  16          HG22      THR  16   6.459  17.662 -13.344
  137   HG23  THR  16          HG23      THR  16   6.152  17.431 -15.077
  138    H    SER  17           H        SER  17   4.271  21.726 -12.716
  139    HA   SER  17           HA       SER  17   4.555  23.953 -14.536
  140    HB2  SER  17           HB2      SER  17   2.408  23.010 -13.685
  141    HB3  SER  17           HB3      SER  17   2.761  23.700 -12.092
  142    HG   SER  17           HG       SER  17   1.436  25.086 -13.341
  143    H    HIS  18           H        HIS  18   5.161  23.699 -10.983
  144    HA   HIS  18           HA       HIS  18   6.158  26.522 -10.955
  145    HB2  HIS  18           HB2      HIS  18   5.466  24.574  -8.714
  146    HB3  HIS  18           HB3      HIS  18   5.979  26.245  -8.507
  147    HD1  HIS  18           HD1      HIS  18   4.166  28.152  -9.004
  148    HD2  HIS  18           HD2      HIS  18   2.907  24.186  -9.630
  149    HE1  HIS  18           HE1      HIS  18   1.636  28.239  -9.289
  150    H    LYS  19           H        LYS  19   7.532  23.487 -11.335
  151    HA   LYS  19           HA       LYS  19   9.584  22.573 -11.208
  152    HB2  LYS  19           HB2      LYS  19  10.391  25.494 -11.292
  153    HB3  LYS  19           HB3      LYS  19  11.557  24.161 -11.292
  154    HG2  LYS  19           HG2      LYS  19  10.470  23.148 -13.246
  155    HG3  LYS  19           HG3      LYS  19   9.269  24.448 -13.291
  156    HD2  LYS  19           HD2      LYS  19  10.951  26.093 -13.799
  157    HD3  LYS  19           HD3      LYS  19  12.269  24.937 -13.552
  158    HE2  LYS  19           HE2      LYS  19  10.085  24.574 -15.658
  159    HE3  LYS  19           HE3      LYS  19  11.587  25.447 -15.984
  160    HZ1  LYS  19           HZ1      LYS  19  12.828  23.442 -15.444
  161    HZ2  LYS  19           HZ2      LYS  19  11.468  22.586 -15.140
  162    HZ3  LYS  19           HZ3      LYS  19  11.769  23.130 -16.659
  163    H    VAL  20           H        VAL  20   9.632  25.105  -8.687
  164    HA   VAL  20           HA       VAL  20  11.272  23.251  -6.957
  165    HB   VAL  20           HB       VAL  20  10.795  26.252  -6.813
  166   HG11  VAL  20          HG11      VAL  20  11.020  25.378  -4.513
  167   HG12  VAL  20          HG12      VAL  20  12.494  24.504  -4.981
  168   HG13  VAL  20          HG13      VAL  20  12.453  26.285  -4.996
  169   HG21  VAL  20          HG21      VAL  20  12.378  25.547  -8.592
  170   HG22  VAL  20          HG22      VAL  20  13.200  26.424  -7.297
  171   HG23  VAL  20          HG23      VAL  20  13.333  24.658  -7.387
  172    H    VAL  21           H        VAL  21  10.261  22.164  -5.323
  173    HA   VAL  21           HA       VAL  21   7.806  23.385  -4.097
  174    HB   VAL  21           HB       VAL  21   8.001  20.447  -4.873
  175   HG11  VAL  21          HG11      VAL  21   5.551  20.500  -4.492
  176   HG12  VAL  21          HG12      VAL  21   6.436  20.944  -3.029
  177   HG13  VAL  21          HG13      VAL  21   5.657  22.203  -4.009
  178   HG21  VAL  21          HG21      VAL  21   7.962  21.645  -6.988
  179   HG22  VAL  21          HG22      VAL  21   6.364  20.954  -6.676
  180   HG23  VAL  21          HG23      VAL  21   6.633  22.690  -6.421
  181    H    LEU  22           H        LEU  22   7.806  23.322  -1.926
  182    HA   LEU  22           HA       LEU  22   9.706  21.522  -0.481
  183    HB2  LEU  22           HB2      LEU  22   9.338  24.172  -0.223
  184    HB3  LEU  22           HB3      LEU  22   8.006  23.678   0.795
  185    HG   LEU  22           HG       LEU  22   9.949  24.278   2.069
  186   HD11  LEU  22          HD11      LEU  22  10.109  22.483   3.606
  187   HD12  LEU  22          HD12      LEU  22   8.490  22.369   2.899
  188   HD13  LEU  22          HD13      LEU  22   9.787  21.266   2.369
  189   HD21  LEU  22          HD21      LEU  22  12.068  23.109   2.000
  190   HD22  LEU  22          HD22      LEU  22  11.482  21.999   0.752
  191   HD23  LEU  22          HD23      LEU  22  11.683  23.726   0.381
  192    H    PHE  23           H        PHE  23   9.012  19.893   0.896
  193    HA   PHE  23           HA       PHE  23   6.058  19.561   1.332
  194    HB2  PHE  23           HB2      PHE  23   8.217  17.466   0.910
  195    HB3  PHE  23           HB3      PHE  23   6.631  17.128   1.563
  196    HD1  PHE  23           HD1      PHE  23   8.284  18.601  -1.497
  197    HD2  PHE  23           HD2      PHE  23   4.822  16.626   0.149
  198    HE1  PHE  23           HE1      PHE  23   7.390  18.245  -3.785
  199    HE2  PHE  23           HE2      PHE  23   3.946  16.260  -2.132
  200    HZ   PHE  23           HZ       PHE  23   5.227  17.066  -4.109
  201    H    MET  24           H        MET  24   5.487  19.765   3.379
  202    HA   MET  24           HA       MET  24   7.100  18.932   5.673
  203    HB2  MET  24           HB2      MET  24   7.286  21.213   6.651
  204    HB3  MET  24           HB3      MET  24   8.188  21.082   5.149
  205    HG2  MET  24           HG2      MET  24   6.388  22.209   3.915
  206    HG3  MET  24           HG3      MET  24   5.433  22.350   5.389
  207    HE1  MET  24           HE1      MET  24   5.322  24.891   4.402
  208    HE2  MET  24           HE2      MET  24   6.765  25.931   4.247
  209    HE3  MET  24           HE3      MET  24   6.580  24.521   3.192
  210    H    LYS  25           H        LYS  25   5.796  19.830   7.776
  211    HA   LYS  25           HA       LYS  25   3.008  19.024   7.387
  212    HB2  LYS  25           HB2      LYS  25   2.856  19.073   9.786
  213    HB3  LYS  25           HB3      LYS  25   4.302  18.215   9.266
  214    HG2  LYS  25           HG2      LYS  25   5.705  20.185   9.843
  215    HG3  LYS  25           HG3      LYS  25   4.257  21.076  10.332
  216    HD2  LYS  25           HD2      LYS  25   3.788  19.339  12.058
  217    HD3  LYS  25           HD3      LYS  25   5.286  18.499  11.595
  218    HE2  LYS  25           HE2      LYS  25   6.595  20.549  12.155
  219    HE3  LYS  25           HE3      LYS  25   5.099  21.374  12.624
  220    HZ1  LYS  25           HZ1      LYS  25   6.239  20.470  14.552
  221    HZ2  LYS  25           HZ2      LYS  25   4.808  19.702  14.374
  222    HZ3  LYS  25           HZ3      LYS  25   6.197  18.949  13.949
  223    H    GLY  26           H        GLY  26   3.478  21.317   5.899
  224    HA2  GLY  26           HA2      GLY  26   1.378  23.132   6.767
  225    HA3  GLY  26           HA3      GLY  26   2.965  23.858   6.916
  226    H    THR  27           H        THR  27   1.031  24.913   5.260
  227    HA   THR  27           HA       THR  27   1.584  24.132   2.442
  228    HB   THR  27           HB       THR  27  -0.341  25.630   1.962
  229    HG1  THR  27           HG1      THR  27  -1.452  26.389   3.894
  230   HG21  THR  27          HG21      THR  27  -1.062  23.756   4.253
  231   HG22  THR  27          HG22      THR  27  -2.106  24.346   2.941
  232   HG23  THR  27          HG23      THR  27  -0.779  23.239   2.570
  233    H    LYS  28           H        LYS  28   1.411  26.239   0.961
  234    HA   LYS  28           HA       LYS  28   3.679  27.973   1.451
  235    HB2  LYS  28           HB2      LYS  28   2.640  27.223  -0.769
  236    HB3  LYS  28           HB3      LYS  28   1.328  28.364  -0.454
  237    HG2  LYS  28           HG2      LYS  28   3.033  30.228  -0.401
  238    HG3  LYS  28           HG3      LYS  28   4.295  29.031  -0.768
  239    HD2  LYS  28           HD2      LYS  28   3.032  28.428  -2.859
  240    HD3  LYS  28           HD3      LYS  28   1.873  29.725  -2.495
  241    HE2  LYS  28           HE2      LYS  28   3.745  31.382  -2.587
  242    HE3  LYS  28           HE3      LYS  28   4.872  30.064  -2.951
  243    HZ1  LYS  28           HZ1      LYS  28   2.616  30.957  -4.659
  244    HZ2  LYS  28           HZ2      LYS  28   4.217  31.064  -5.006
  245    HZ3  LYS  28           HZ3      LYS  28   3.479  29.594  -4.952
  246    H    ASP  29           H        ASP  29   0.251  28.200   2.237
  247    HA   ASP  29           HA       ASP  29   0.314  31.012   3.057
  248    HB2  ASP  29           HB2      ASP  29  -1.706  29.883   2.157
  249    HB3  ASP  29           HB3      ASP  29  -1.722  28.800   3.552
  250    H    PHE  30           H        PHE  30   0.799  27.861   4.617
  251    HA   PHE  30           HA       PHE  30   1.531  29.249   7.156
  252    HB2  PHE  30           HB2      PHE  30  -0.618  28.149   7.406
  253    HB3  PHE  30           HB3      PHE  30   0.021  26.652   6.744
  254    HD1  PHE  30           HD1      PHE  30   1.613  28.877   9.374
  255    HD2  PHE  30           HD2      PHE  30  -0.363  25.131   8.509
  256    HE1  PHE  30           HE1      PHE  30   2.125  28.072  11.654
  257    HE2  PHE  30           HE2      PHE  30   0.138  24.342  10.804
  258    HZ   PHE  30           HZ       PHE  30   1.388  25.808  12.382
  259    HA   PRO  31           HA       PRO  31   5.308  26.952   5.700
  260    HB2  PRO  31           HB2      PRO  31   6.489  29.497   6.790
  261    HB3  PRO  31           HB3      PRO  31   6.996  28.532   5.366
  262    HG2  PRO  31           HG2      PRO  31   5.610  30.837   5.037
  263    HG3  PRO  31           HG3      PRO  31   5.200  29.388   4.050
  264    HD2  PRO  31           HD2      PRO  31   3.829  30.386   6.568
  265    HD3  PRO  31           HD3      PRO  31   3.117  29.883   5.009
  266    H    GLN  32           H        GLN  32   6.984  26.113   7.155
  267    HA   GLN  32           HA       GLN  32   6.130  26.172  10.020
  268    HB2  GLN  32           HB2      GLN  32   7.554  23.986   8.434
  269    HB3  GLN  32           HB3      GLN  32   7.084  23.896  10.132
  270    HG2  GLN  32           HG2      GLN  32   5.184  24.105   7.748
  271    HG3  GLN  32           HG3      GLN  32   5.479  22.676   8.729
  272   HE21  GLN  32          HE22      GLN  32   3.428  25.465   8.419
  273   HE22  GLN  32          HE21      GLN  32   2.686  25.314   9.993
  274    H    CYS  33           H        CYS  33   7.626  26.289  11.639
  275    HA   CYS  33           HA       CYS  33   9.787  28.066  11.161
  276    HB2  CYS  33           HB2      CYS  33   8.986  26.473  13.646
  277    HB3  CYS  33           HB3      CYS  33  10.128  27.822  13.641
  278    HG   CYS  33           HG       CYS  33   7.811  28.650  14.589
  279    H    GLY  34           H        GLY  34  11.987  27.871  11.935
  280    HA2  GLY  34           HA2      GLY  34  14.065  26.802  12.192
  281    HA3  GLY  34           HA3      GLY  34  13.305  25.224  11.902
  282    H    PHE  35           H        PHE  35  14.810  24.554  10.376
  283    HA   PHE  35           HA       PHE  35  15.935  26.091   8.338
  284    HB2  PHE  35           HB2      PHE  35  15.393  23.099   8.319
  285    HB3  PHE  35           HB3      PHE  35  16.552  23.944   7.300
  286    HD1  PHE  35           HD1      PHE  35  18.254  25.548   8.734
  287    HD2  PHE  35           HD2      PHE  35  16.323  21.958  10.149
  288    HE1  PHE  35           HE1      PHE  35  20.051  25.244  10.415
  289    HE2  PHE  35           HE2      PHE  35  18.122  21.659  11.833
  290    HZ   PHE  35           HZ       PHE  35  19.989  23.297  11.965
  291    H    SER  36           H        SER  36  12.798  24.334   8.170
  292    HA   SER  36           HA       SER  36  12.338  24.594   5.391
  293    HB2  SER  36           HB2      SER  36  10.298  24.798   7.637
  294    HB3  SER  36           HB3      SER  36   9.982  24.390   5.937
  295    HG   SER  36           HG       SER  36  10.155  22.538   7.313
  296    H    GLN  37           H        GLN  37  11.483  26.971   7.991
  297    HA   GLN  37           HA       GLN  37  10.417  29.004   6.323
  298    HB2  GLN  37           HB2      GLN  37  10.261  28.883   8.812
  299    HB3  GLN  37           HB3      GLN  37  11.963  29.336   8.931
  300    HG2  GLN  37           HG2      GLN  37  11.457  31.500   7.804
  301    HG3  GLN  37           HG3      GLN  37   9.763  31.023   7.648
  302   HE21  GLN  37          HE22      GLN  37   8.552  30.571   9.787
  303   HE22  GLN  37          HE21      GLN  37   9.054  31.533  11.170
  304    H    THR  38           H        THR  38  13.812  28.526   7.479
  305    HA   THR  38           HA       THR  38  15.017  30.654   6.063
  306    HB   THR  38           HB       THR  38  16.300  27.935   6.578
  307    HG1  THR  38           HG1      THR  38  16.026  30.128   8.360
  308   HG21  THR  38          HG21      THR  38  17.700  29.543   5.330
  309   HG22  THR  38          HG22      THR  38  17.424  30.778   6.571
  310   HG23  THR  38          HG23      THR  38  18.329  29.292   6.962
  311    H    VAL  39           H        VAL  39  14.460  27.291   5.024
  312    HA   VAL  39           HA       VAL  39  15.655  27.600   2.461
  313    HB   VAL  39           HB       VAL  39  13.830  25.513   3.628
  314   HG11  VAL  39          HG11      VAL  39  14.294  24.126   1.580
  315   HG12  VAL  39          HG12      VAL  39  13.171  25.457   1.302
  316   HG13  VAL  39          HG13      VAL  39  14.860  25.599   0.767
  317   HG21  VAL  39          HG21      VAL  39  16.231  25.596   4.307
  318   HG22  VAL  39          HG22      VAL  39  15.894  24.157   3.331
  319   HG23  VAL  39          HG23      VAL  39  16.713  25.550   2.605
  320    H    VAL  40           H        VAL  40  12.088  27.926   3.328
  321    HA   VAL  40           HA       VAL  40  11.444  28.439   0.584
  322    HB   VAL  40           HB       VAL  40   9.363  29.369   1.326
  323   HG11  VAL  40          HG11      VAL  40  10.055  26.787   2.771
  324   HG12  VAL  40          HG12      VAL  40   8.431  27.326   2.305
  325   HG13  VAL  40          HG13      VAL  40   9.628  26.942   1.055
  326   HG21  VAL  40          HG21      VAL  40  10.262  28.967   4.175
  327   HG22  VAL  40          HG22      VAL  40   9.976  30.537   3.388
  328   HG23  VAL  40          HG23      VAL  40   8.636  29.414   3.647
  329    H    GLN  41           H        GLN  41  12.569  30.664   3.160
  330    HA   GLN  41           HA       GLN  41  12.320  33.087   1.587
  331    HB2  GLN  41           HB2      GLN  41  14.098  32.259   3.921
  332    HB3  GLN  41           HB3      GLN  41  14.164  33.864   3.208
  333    HG2  GLN  41           HG2      GLN  41  11.575  32.680   4.309
  334    HG3  GLN  41           HG3      GLN  41  12.724  33.567   5.301
  335   HE21  GLN  41          HE22      GLN  41  13.002  35.894   4.948
  336   HE22  GLN  41          HE21      GLN  41  11.829  36.777   3.988
  337    H    ILE  42           H        ILE  42  15.041  30.756   2.004
  338    HA   ILE  42           HA       ILE  42  16.887  32.005   0.236
  339    HB   ILE  42           HB       ILE  42  16.456  29.200   1.248
  340   HG12  ILE  42          HG12      ILE  42  18.827  31.095   1.468
  341   HG13  ILE  42          HG13      ILE  42  17.503  31.034   2.625
  342   HG21  ILE  42          HG21      ILE  42  17.236  28.695  -0.994
  343   HG22  ILE  42          HG22      ILE  42  18.554  29.872  -0.833
  344   HG23  ILE  42          HG23      ILE  42  18.521  28.381   0.136
  345   HD11  ILE  42          HD11      ILE  42  19.494  28.794   2.067
  346   HD12  ILE  42          HD12      ILE  42  19.330  29.765   3.530
  347   HD13  ILE  42          HD13      ILE  42  18.045  28.622   3.087
  348    H    LEU  43           H        LEU  43  14.489  29.454  -0.617
  349    HA   LEU  43           HA       LEU  43  15.341  29.278  -3.341
  350    HB2  LEU  43           HB2      LEU  43  12.702  28.580  -1.965
  351    HB3  LEU  43           HB3      LEU  43  13.077  28.126  -3.625
  352    HG   LEU  43           HG       LEU  43  14.837  27.274  -1.288
  353   HD11  LEU  43          HD11      LEU  43  13.625  25.127  -1.340
  354   HD12  LEU  43          HD12      LEU  43  12.539  26.455  -0.924
  355   HD13  LEU  43          HD13      LEU  43  12.508  25.768  -2.559
  356   HD21  LEU  43          HD21      LEU  43  15.886  27.184  -3.545
  357   HD22  LEU  43          HD22      LEU  43  15.687  25.596  -2.815
  358   HD23  LEU  43          HD23      LEU  43  14.578  26.125  -4.098
  359    H    LYS  44           H        LYS  44  12.583  31.043  -1.930
  360    HA   LYS  44           HA       LYS  44  11.598  32.341  -4.228
  361    HB2  LYS  44           HB2      LYS  44  10.546  32.343  -2.010
  362    HB3  LYS  44           HB3      LYS  44  11.880  33.302  -1.350
  363    HG2  LYS  44           HG2      LYS  44  11.247  35.212  -2.785
  364    HG3  LYS  44           HG3      LYS  44  10.010  34.229  -3.578
  365    HD2  LYS  44           HD2      LYS  44   9.010  35.739  -1.922
  366    HD3  LYS  44           HD3      LYS  44   8.752  34.047  -1.478
  367    HE2  LYS  44           HE2      LYS  44  10.613  34.163   0.144
  368    HE3  LYS  44           HE3      LYS  44  10.937  35.844  -0.310
  369    HZ1  LYS  44           HZ1      LYS  44   8.801  36.465   0.586
  370    HZ2  LYS  44           HZ2      LYS  44   8.369  34.905   0.864
  371    HZ3  LYS  44           HZ3      LYS  44   9.587  35.571   1.726
  372    H    SER  45           H        SER  45  14.121  33.516  -1.982
  373    HA   SER  45           HA       SER  45  14.722  35.931  -3.380
  374    HB2  SER  45           HB2      SER  45  16.476  34.426  -1.400
  375    HB3  SER  45           HB3      SER  45  16.568  36.139  -1.825
  376    HG   SER  45           HG       SER  45  14.681  34.763  -0.269
  377    H    LEU  46           H        LEU  46  16.328  32.721  -3.485
  378    HA   LEU  46           HA       LEU  46  18.554  33.393  -5.102
  379    HB2  LEU  46           HB2      LEU  46  18.279  31.309  -3.816
  380    HB3  LEU  46           HB3      LEU  46  16.892  30.851  -4.806
  381    HG   LEU  46           HG       LEU  46  18.372  30.592  -6.778
  382   HD11  LEU  46          HD11      LEU  46  20.830  30.592  -6.467
  383   HD12  LEU  46          HD12      LEU  46  20.169  32.206  -6.212
  384   HD13  LEU  46          HD13      LEU  46  20.642  31.205  -4.817
  385   HD21  LEU  46          HD21      LEU  46  19.337  29.079  -4.313
  386   HD22  LEU  46          HD22      LEU  46  17.874  28.704  -5.239
  387   HD23  LEU  46          HD23      LEU  46  19.466  28.539  -6.002
  388    H    ASN  47           H        ASN  47  15.245  32.687  -5.855
  389    HA   ASN  47           HA       ASN  47  14.132  34.050  -7.445
  390    HB2  ASN  47           HB2      ASN  47  16.083  34.811  -8.734
  391    HB3  ASN  47           HB3      ASN  47  16.196  33.219  -9.504
  392   HD21  ASN  47          HD22      ASN  47  16.008  34.703 -11.471
  393   HD22  ASN  47          HD21      ASN  47  14.386  35.064 -12.023
  394    H    ALA  48           H        ALA  48  12.686  32.478  -6.685
  395    HA   ALA  48           HA       ALA  48  11.977  30.612  -8.870
  396    HB1  ALA  48           HB1      ALA  48  12.350  29.585  -6.023
  397    HB2  ALA  48           HB2      ALA  48  11.780  28.645  -7.416
  398    HB3  ALA  48           HB3      ALA  48  13.440  29.263  -7.385
  399    HA   PRO  49           HA       PRO  49   7.824  31.648  -7.303
  400    HB2  PRO  49           HB2      PRO  49   6.324  30.587  -9.279
  401    HB3  PRO  49           HB3      PRO  49   7.387  31.987  -9.589
  402    HG2  PRO  49           HG2      PRO  49   7.981  29.060 -10.151
  403    HG3  PRO  49           HG3      PRO  49   8.161  30.462 -11.253
  404    HD2  PRO  49           HD2      PRO  49  10.216  29.415  -9.727
  405    HD3  PRO  49           HD3      PRO  49  10.135  31.138 -10.213
  406    H    PHE  50           H        PHE  50   8.902  30.026  -5.646
  407    HA   PHE  50           HA       PHE  50   8.551  27.247  -5.873
  408    HB2  PHE  50           HB2      PHE  50   9.456  27.115  -3.725
  409    HB3  PHE  50           HB3      PHE  50  10.136  28.605  -4.338
  410    HD1  PHE  50           HD1      PHE  50   8.902  30.845  -3.668
  411    HD2  PHE  50           HD2      PHE  50   8.242  27.060  -1.696
  412    HE1  PHE  50           HE1      PHE  50   7.794  32.007  -1.787
  413    HE2  PHE  50           HE2      PHE  50   7.140  28.246   0.191
  414    HZ   PHE  50           HZ       PHE  50   6.911  30.715   0.147
  415    H    GLU  51           H        GLU  51   7.273  25.769  -4.646
  416    HA   GLU  51           HA       GLU  51   4.667  26.806  -3.569
  417    HB2  GLU  51           HB2      GLU  51   5.209  24.350  -5.282
  418    HB3  GLU  51           HB3      GLU  51   3.753  24.515  -4.310
  419    HG2  GLU  51           HG2      GLU  51   4.626  26.438  -6.497
  420    HG3  GLU  51           HG3      GLU  51   3.386  25.194  -6.642
  421    H    SER  52           H        SER  52   3.649  25.120  -2.050
  422    HA   SER  52           HA       SER  52   5.627  23.518  -0.581
  423    HB2  SER  52           HB2      SER  52   4.331  25.968   0.600
  424    HB3  SER  52           HB3      SER  52   4.983  24.657   1.600
  425    HG   SER  52           HG       SER  52   6.592  25.665  -0.468
  426    H    VAL  53           H        VAL  53   4.717  21.651  -0.046
  427    HA   VAL  53           HA       VAL  53   1.732  21.391  -0.094
  428    HB   VAL  53           HB       VAL  53   3.947  19.368  -0.603
  429   HG11  VAL  53          HG11      VAL  53   2.102  17.850  -1.349
  430   HG12  VAL  53          HG12      VAL  53   2.023  18.202   0.378
  431   HG13  VAL  53          HG13      VAL  53   0.915  19.026  -0.742
  432   HG21  VAL  53          HG21      VAL  53   1.935  20.633  -2.520
  433   HG22  VAL  53          HG22      VAL  53   3.676  20.971  -2.472
  434   HG23  VAL  53          HG23      VAL  53   3.106  19.363  -2.935
  435    H    ASN  54           H        ASN  54   0.682  20.803   1.708
  436    HA   ASN  54           HA       ASN  54   2.146  20.249   4.171
  437    HB2  ASN  54           HB2      ASN  54   0.207  21.683   4.262
  438    HB3  ASN  54           HB3      ASN  54  -0.820  20.428   3.582
  439   HD21  ASN  54          HD22      ASN  54  -2.181  20.590   5.535
  440   HD22  ASN  54          HD21      ASN  54  -1.609  19.900   7.052
  441    H    ILE  55           H        ILE  55   3.034  18.254   4.369
  442    HA   ILE  55           HA       ILE  55   1.982  15.820   3.217
  443    HB   ILE  55           HB       ILE  55   3.617  14.634   4.544
  444   HG12  ILE  55          HG12      ILE  55   3.816  17.162   6.199
  445   HG13  ILE  55          HG13      ILE  55   3.403  15.533   6.694
  446   HG21  ILE  55          HG21      ILE  55   4.845  17.266   3.605
  447   HG22  ILE  55          HG22      ILE  55   5.616  15.671   3.673
  448   HG23  ILE  55          HG23      ILE  55   4.302  15.964   2.525
  449   HD11  ILE  55          HD11      ILE  55   5.722  14.798   6.259
  450   HD12  ILE  55          HD12      ILE  55   6.158  16.482   5.861
  451   HD13  ILE  55          HD13      ILE  55   5.590  16.072   7.490
  452    H    LEU  56           H        LEU  56   1.164  17.423   6.212
  453    HA   LEU  56           HA       LEU  56  -0.174  15.066   7.353
  454    HB2  LEU  56           HB2      LEU  56   0.774  17.742   8.250
  455    HB3  LEU  56           HB3      LEU  56  -0.800  17.346   8.887
  456    HG   LEU  56           HG       LEU  56   0.994  16.757  10.416
  457   HD11  LEU  56          HD11      LEU  56  -0.404  14.248   9.396
  458   HD12  LEU  56          HD12      LEU  56   0.267  14.524  11.014
  459   HD13  LEU  56          HD13      LEU  56  -1.126  15.471  10.459
  460   HD21  LEU  56          HD21      LEU  56   2.768  16.216   8.816
  461   HD22  LEU  56          HD22      LEU  56   2.545  14.914   9.993
  462   HD23  LEU  56          HD23      LEU  56   1.922  14.724   8.339
  463    H    GLU  57           H        GLU  57  -1.109  17.063   4.892
  464    HA   GLU  57           HA       GLU  57  -3.762  17.793   5.682
  465    HB2  GLU  57           HB2      GLU  57  -2.252  18.682   3.758
  466    HB3  GLU  57           HB3      GLU  57  -2.861  17.321   2.824
  467    HG2  GLU  57           HG2      GLU  57  -4.146  19.304   2.314
  468    HG3  GLU  57           HG3      GLU  57  -5.195  18.191   3.192
  469    H    ASN  58           H        ASN  58  -2.439  14.814   4.321
  470    HA   ASN  58           HA       ASN  58  -4.893  13.366   4.876
  471    HB2  ASN  58           HB2      ASN  58  -5.310  14.382   2.586
  472    HB3  ASN  58           HB3      ASN  58  -3.918  13.490   1.982
  473   HD21  ASN  58          HD22      ASN  58  -7.314  13.342   2.714
  474   HD22  ASN  58          HD21      ASN  58  -7.507  11.624   2.401
  475    H    GLU  59           H        GLU  59  -4.482  11.236   5.276
  476    HA   GLU  59           HA       GLU  59  -1.924  10.256   5.861
  477    HB2  GLU  59           HB2      GLU  59  -3.092   7.987   5.701
  478    HB3  GLU  59           HB3      GLU  59  -3.652   9.134   6.911
  479    HG2  GLU  59           HG2      GLU  59  -5.085   9.005   4.251
  480    HG3  GLU  59           HG3      GLU  59  -5.309   7.703   5.409
  481    H    LEU  60           H        LEU  60  -3.752   9.762   2.834
  482    HA   LEU  60           HA       LEU  60  -1.921   7.936   1.663
  483    HB2  LEU  60           HB2      LEU  60  -4.331   8.361   1.016
  484    HB3  LEU  60           HB3      LEU  60  -3.814   9.871   0.269
  485    HG   LEU  60           HG       LEU  60  -2.343   8.562  -1.288
  486   HD11  LEU  60          HD11      LEU  60  -3.656   6.147   0.034
  487   HD12  LEU  60          HD12      LEU  60  -2.787   6.096  -1.508
  488   HD13  LEU  60          HD13      LEU  60  -1.917   6.519  -0.030
  489   HD21  LEU  60          HD21      LEU  60  -4.188   7.707  -2.674
  490   HD22  LEU  60          HD22      LEU  60  -5.277   7.750  -1.269
  491   HD23  LEU  60          HD23      LEU  60  -4.618   9.260  -1.939
  492    H    LEU  61           H        LEU  61  -1.905  11.479   1.768
  493    HA   LEU  61           HA       LEU  61   0.355  11.762  -0.089
  494    HB2  LEU  61           HB2      LEU  61  -1.566  13.476   0.728
  495    HB3  LEU  61           HB3      LEU  61  -0.378  13.868   1.961
  496    HG   LEU  61           HG       LEU  61  -0.013  14.038  -1.069
  497   HD11  LEU  61          HD11      LEU  61  -1.524  15.738  -0.083
  498   HD12  LEU  61          HD12      LEU  61  -0.234  16.229   1.037
  499   HD13  LEU  61          HD13      LEU  61  -0.042  16.458  -0.718
  500   HD21  LEU  61          HD21      LEU  61   2.182  13.576  -0.172
  501   HD22  LEU  61          HD22      LEU  61   2.097  15.299  -0.542
  502   HD23  LEU  61          HD23      LEU  61   1.957  14.760   1.142
  503    H    ARG  62           H        ARG  62  -0.102  11.844   3.466
  504    HA   ARG  62           HA       ARG  62   2.512  12.234   4.299
  505    HB2  ARG  62           HB2      ARG  62   0.305  12.097   5.636
  506    HB3  ARG  62           HB3      ARG  62   0.588  10.356   5.729
  507    HG2  ARG  62           HG2      ARG  62   2.785  10.784   6.832
  508    HG3  ARG  62           HG3      ARG  62   2.502  12.534   6.696
  509    HD2  ARG  62           HD2      ARG  62   0.467  12.304   8.105
  510    HD3  ARG  62           HD3      ARG  62   0.778  10.559   8.253
  511    HE   ARG  62           HE       ARG  62   3.108  11.997   9.059
  512   HH11  ARG  62          HH11      ARG  62  -0.141  11.295  10.277
  513   HH12  ARG  62          HH12      ARG  62   0.337  11.478  11.937
  514   HH21  ARG  62          HH21      ARG  62   3.660  12.226  11.228
  515   HH22  ARG  62          HH22      ARG  62   2.463  12.006  12.465
  516    H    GLN  63           H        GLN  63   0.993   9.032   3.617
  517    HA   GLN  63           HA       GLN  63   3.593   7.649   3.870
  518    HB2  GLN  63           HB2      GLN  63   2.393   5.649   3.567
  519    HB3  GLN  63           HB3      GLN  63   1.386   6.688   4.570
  520    HG2  GLN  63           HG2      GLN  63   0.206   7.320   2.294
  521    HG3  GLN  63           HG3      GLN  63   1.002   5.885   1.657
  522   HE21  GLN  63          HE22      GLN  63  -1.228   7.049   4.224
  523   HE22  GLN  63          HE21      GLN  63  -2.067   5.501   4.394
  524    H    GLY  64           H        GLY  64   1.666   8.980   1.189
  525    HA2  GLY  64           HA2      GLY  64   2.847   7.457  -0.908
  526    HA3  GLY  64           HA3      GLY  64   1.941   8.988  -1.068
  527    H    LEU  65           H        LEU  65   3.820  10.575   0.550
  528    HA   LEU  65           HA       LEU  65   5.685  11.352  -1.431
  529    HB2  LEU  65           HB2      LEU  65   4.828  12.752   0.438
  530    HB3  LEU  65           HB3      LEU  65   5.768  11.796   1.581
  531    HG   LEU  65           HG       LEU  65   7.873  12.564   0.496
  532   HD11  LEU  65          HD11      LEU  65   7.199  12.994  -1.796
  533   HD12  LEU  65          HD12      LEU  65   6.011  14.202  -1.274
  534   HD13  LEU  65          HD13      LEU  65   7.749  14.520  -1.095
  535   HD21  LEU  65          HD21      LEU  65   6.842  13.799   2.400
  536   HD22  LEU  65          HD22      LEU  65   7.766  14.866   1.327
  537   HD23  LEU  65          HD23      LEU  65   5.988  14.829   1.243
  538    H    LYS  66           H        LYS  66   6.062   8.930   1.162
  539    HA   LYS  66           HA       LYS  66   8.907   8.596   0.881
  540    HB2  LYS  66           HB2      LYS  66   7.486   7.809   2.792
  541    HB3  LYS  66           HB3      LYS  66   6.831   6.538   1.747
  542    HG2  LYS  66           HG2      LYS  66   9.076   5.560   1.479
  543    HG3  LYS  66           HG3      LYS  66   9.799   6.913   2.354
  544    HD2  LYS  66           HD2      LYS  66   9.683   4.995   3.813
  545    HD3  LYS  66           HD3      LYS  66   8.588   6.253   4.414
  546    HE2  LYS  66           HE2      LYS  66   6.653   5.067   3.411
  547    HE3  LYS  66           HE3      LYS  66   7.737   3.847   2.728
  548    HZ1  LYS  66           HZ1      LYS  66   8.356   3.218   5.001
  549    HZ2  LYS  66           HZ2      LYS  66   7.351   4.347   5.633
  550    HZ3  LYS  66           HZ3      LYS  66   6.742   3.076   4.804
  551    H    GLU  67           H        GLU  67   6.169   7.122  -0.883
  552    HA   GLU  67           HA       GLU  67   7.848   5.438  -2.568
  553    HB2  GLU  67           HB2      GLU  67   5.436   5.000  -2.072
  554    HB3  GLU  67           HB3      GLU  67   5.000   6.437  -2.988
  555    HG2  GLU  67           HG2      GLU  67   4.659   4.432  -4.320
  556    HG3  GLU  67           HG3      GLU  67   5.890   5.454  -5.048
  557    H    TYR  68           H        TYR  68   6.360   8.693  -2.896
  558    HA   TYR  68           HA       TYR  68   7.092   9.233  -5.569
  559    HB2  TYR  68           HB2      TYR  68   5.459  10.419  -3.971
  560    HB3  TYR  68           HB3      TYR  68   6.859  11.245  -3.310
  561    HD1  TYR  68           HD1      TYR  68   5.065  10.587  -6.530
  562    HD2  TYR  68           HD2      TYR  68   7.556  13.293  -4.281
  563    HE1  TYR  68           HE1      TYR  68   4.789  12.317  -8.307
  564    HE2  TYR  68           HE2      TYR  68   7.260  15.026  -6.028
  565    HH   TYR  68           HH       TYR  68   6.354  15.523  -8.060
  566    H    SER  69           H        SER  69   8.906   9.899  -2.577
  567    HA   SER  69           HA       SER  69  11.208  10.981  -4.150
  568    HB2  SER  69           HB2      SER  69  10.447  11.252  -1.215
  569    HB3  SER  69           HB3      SER  69  11.794  12.064  -2.028
  570    HG   SER  69           HG       SER  69  10.214  13.496  -2.030
  571    H    SER  70           H        SER  70  10.550   8.190  -2.127
  572    HA   SER  70           HA       SER  70  11.790   6.587  -1.159
  573    HB2  SER  70           HB2      SER  70  13.926   5.951  -1.893
  574    HB3  SER  70           HB3      SER  70  13.065   6.561  -3.306
  575    HG   SER  70           HG       SER  70  14.155   8.624  -2.774
  576    H    TRP  71           H        TRP  71  12.489   9.850  -0.565
  577    HA   TRP  71           HA       TRP  71  14.468   9.767   1.404
  578    HB2  TRP  71           HB2      TRP  71  13.647  11.769   0.234
  579    HB3  TRP  71           HB3      TRP  71  12.114  11.664   1.092
  580    HD1  TRP  71           HD1      TRP  71  12.038  12.560   3.547
  581    HE1  TRP  71           HE1      TRP  71  13.639  13.893   5.036
  582    HE3  TRP  71           HE3      TRP  71  16.314  12.002   0.807
  583    HZ2  TRP  71           HZ2      TRP  71  16.444  14.582   5.067
  584    HZ3  TRP  71           HZ3      TRP  71  18.463  12.970   1.610
  585    HH2  TRP  71           HH2      TRP  71  18.537  14.241   3.744
  586    HA   PRO  72           HA       PRO  72  12.339   7.651   4.607
  587    HB2  PRO  72           HB2      PRO  72  14.081   7.852   6.703
  588    HB3  PRO  72           HB3      PRO  72  14.433   6.935   5.207
  589    HG2  PRO  72           HG2      PRO  72  15.292   9.765   5.913
  590    HG3  PRO  72           HG3      PRO  72  16.302   8.432   5.269
  591    HD2  PRO  72           HD2      PRO  72  15.243  10.354   3.663
  592    HD3  PRO  72           HD3      PRO  72  15.406   8.657   3.116
  593    H    THR  73           H        THR  73  13.435  10.922   5.753
  594    HA   THR  73           HA       THR  73  11.011  11.078   7.508
  595    HB   THR  73           HB       THR  73  12.465  12.036   9.298
  596    HG1  THR  73           HG1      THR  73  14.216  12.385   7.813
  597   HG21  THR  73          HG21      THR  73  13.249   9.921  10.186
  598   HG22  THR  73          HG22      THR  73  11.680   9.670   9.404
  599   HG23  THR  73          HG23      THR  73  13.172   9.159   8.587
  600    H    PHE  74           H        PHE  74   9.921  12.718   6.763
  601    HA   PHE  74           HA       PHE  74  11.022  14.923   5.337
  602    HB2  PHE  74           HB2      PHE  74   8.249  14.708   6.556
  603    HB3  PHE  74           HB3      PHE  74   8.706  15.587   5.099
  604    HD1  PHE  74           HD1      PHE  74  10.140  13.864   3.410
  605    HD2  PHE  74           HD2      PHE  74   6.950  12.781   6.092
  606    HE1  PHE  74           HE1      PHE  74   9.746  11.784   2.100
  607    HE2  PHE  74           HE2      PHE  74   6.539  10.727   4.768
  608    HZ   PHE  74           HZ       PHE  74   7.950  10.217   2.791
  609    HA   PRO  75           HA       PRO  75   9.560  17.588   5.286
  610    HB2  PRO  75           HB2      PRO  75  11.803  19.529   5.841
  611    HB3  PRO  75           HB3      PRO  75  10.158  19.864   5.240
  612    HG2  PRO  75           HG2      PRO  75  10.748  20.293   7.832
  613    HG3  PRO  75           HG3      PRO  75   9.217  19.436   7.423
  614    HD2  PRO  75           HD2      PRO  75  11.879  18.246   8.259
  615    HD3  PRO  75           HD3      PRO  75  10.243  17.883   8.873
  616    H    GLN  76           H        GLN  76  10.375  18.141   3.144
  617    HA   GLN  76           HA       GLN  76  13.154  17.842   2.498
  618    HB2  GLN  76           HB2      GLN  76  13.047  15.989   0.906
  619    HB3  GLN  76           HB3      GLN  76  12.658  15.471   2.524
  620    HG2  GLN  76           HG2      GLN  76  11.086  14.318   1.379
  621    HG3  GLN  76           HG3      GLN  76  10.133  15.759   1.735
  622   HE21  GLN  76          HE22      GLN  76  10.086  17.441  -0.208
  623   HE22  GLN  76          HE21      GLN  76  10.055  16.674  -1.799
  624    H    LEU  77           H        LEU  77  13.654  18.395   0.316
  625    HA   LEU  77           HA       LEU  77  11.639  20.169  -0.985
  626    HB2  LEU  77           HB2      LEU  77  13.849  20.946   0.072
  627    HB3  LEU  77           HB3      LEU  77  14.677  20.081  -1.200
  628    HG   LEU  77           HG       LEU  77  12.866  22.531  -1.456
  629   HD11  LEU  77          HD11      LEU  77  15.859  22.034  -1.839
  630   HD12  LEU  77          HD12      LEU  77  15.042  23.562  -2.182
  631   HD13  LEU  77          HD13      LEU  77  15.064  22.936  -0.521
  632   HD21  LEU  77          HD21      LEU  77  12.482  21.460  -3.528
  633   HD22  LEU  77          HD22      LEU  77  13.754  22.618  -3.847
  634   HD23  LEU  77          HD23      LEU  77  14.178  20.901  -3.649
  635    H    TYR  78           H        TYR  78  11.105  19.816  -3.112
  636    HA   TYR  78           HA       TYR  78  12.405  17.636  -4.684
  637    HB2  TYR  78           HB2      TYR  78   9.969  17.345  -3.600
  638    HB3  TYR  78           HB3      TYR  78   9.479  18.323  -4.961
  639    HD1  TYR  78           HD1      TYR  78   9.781  17.416  -7.314
  640    HD2  TYR  78           HD2      TYR  78  10.610  15.060  -3.805
  641    HE1  TYR  78           HE1      TYR  78   9.588  15.318  -8.660
  642    HE2  TYR  78           HE2      TYR  78  10.414  12.980  -5.142
  643    HH   TYR  78           HH       TYR  78   9.915  12.079  -7.170
  644    H    ILE  79           H        ILE  79  12.764  18.086  -6.898
  645    HA   ILE  79           HA       ILE  79  11.826  20.714  -7.911
  646    HB   ILE  79           HB       ILE  79  14.737  19.981  -8.290
  647   HG12  ILE  79          HG12      ILE  79  13.623  21.826  -6.138
  648   HG13  ILE  79          HG13      ILE  79  14.430  20.272  -5.859
  649   HG21  ILE  79          HG21      ILE  79  13.117  22.576  -8.534
  650   HG22  ILE  79          HG22      ILE  79  14.846  22.396  -8.925
  651   HG23  ILE  79          HG23      ILE  79  13.636  21.551  -9.886
  652   HD11  ILE  79          HD11      ILE  79  15.726  22.800  -6.915
  653   HD12  ILE  79          HD12      ILE  79  16.030  21.963  -5.390
  654   HD13  ILE  79          HD13      ILE  79  16.507  21.199  -6.919
  655    H    ASP  80           H        ASP  80  10.980  20.518  -9.791
  656    HA   ASP  80           HA       ASP  80  10.435  20.078 -11.899
  657    HB2  ASP  80           HB2      ASP  80  12.824  20.819 -12.088
  658    HB3  ASP  80           HB3      ASP  80  13.296  19.125 -12.229
  659    H    GLY  81           H        GLY  81  11.761  17.296 -10.328
  660    HA2  GLY  81           HA2      GLY  81   9.898  15.364 -11.116
  661    HA3  GLY  81           HA3      GLY  81  11.158  15.313 -12.336
  662    H    GLU  82           H        GLU  82  12.701  16.189  -9.436
  663    HA   GLU  82           HA       GLU  82  12.949  13.434  -8.368
  664    HB2  GLU  82           HB2      GLU  82  15.292  15.191  -9.231
  665    HB3  GLU  82           HB3      GLU  82  15.427  13.747  -8.221
  666    HG2  GLU  82           HG2      GLU  82  14.429  12.390 -10.081
  667    HG3  GLU  82           HG3      GLU  82  14.461  13.837 -11.106
  668    H    PHE  83           H        PHE  83  13.864  13.371  -6.205
  669    HA   PHE  83           HA       PHE  83  13.211  15.739  -4.613
  670    HB2  PHE  83           HB2      PHE  83  13.353  14.435  -2.746
  671    HB3  PHE  83           HB3      PHE  83  12.758  13.292  -3.936
  672    HD1  PHE  83           HD2      PHE  83  14.470  11.649  -5.004
  673    HD2  PHE  83           HD1      PHE  83  15.373  14.104  -1.575
  674    HE1  PHE  83           HE2      PHE  83  16.439  10.228  -4.502
  675    HE2  PHE  83           HE1      PHE  83  17.362  12.709  -1.098
  676    HZ   PHE  83           HZ       PHE  83  17.895  10.756  -2.557
  677    H    PHE  84           H        PHE  84  14.661  16.928  -3.365
  678    HA   PHE  84           HA       PHE  84  17.488  16.990  -4.307
  679    HB2  PHE  84           HB2      PHE  84  16.102  19.027  -4.523
  680    HB3  PHE  84           HB3      PHE  84  15.801  19.007  -2.791
  681    HD1  PHE  84           HD2      PHE  84  17.605  19.579  -1.178
  682    HD2  PHE  84           HD1      PHE  84  18.264  19.709  -5.438
  683    HE1  PHE  84           HE2      PHE  84  19.715  20.815  -0.816
  684    HE2  PHE  84           HE1      PHE  84  20.370  20.983  -5.066
  685    HZ   PHE  84           HZ       PHE  84  21.098  21.525  -2.762
  686    H    GLY  85           H        GLY  85  15.538  16.941  -1.300
  687    HA2  GLY  85           HA2      GLY  85  16.529  15.198   0.362
  688    HA3  GLY  85           HA3      GLY  85  17.946  16.243   0.334
  689    H    GLY  86           H        GLY  86  17.470  16.289   2.676
  690    HA2  GLY  86           HA2      GLY  86  15.155  17.707   3.721
  691    HA3  GLY  86           HA3      GLY  86  16.610  17.227   4.618
  692    H    CYS  87           H        CYS  87  15.199  19.685   4.934
  693    HA   CYS  87           HA       CYS  87  16.166  21.832   3.396
  694    HB2  CYS  87           HB2      CYS  87  15.128  21.739   6.279
  695    HB3  CYS  87           HB3      CYS  87  15.281  23.224   5.318
  696    HG   CYS  87           HG       CYS  87  13.776  22.320   3.272
  697    H    ASP  88           H        ASP  88  17.706  20.419   6.281
  698    HA   ASP  88           HA       ASP  88  19.729  22.399   6.664
  699    HB2  ASP  88           HB2      ASP  88  19.250  20.609   8.264
  700    HB3  ASP  88           HB3      ASP  88  19.782  19.390   7.101
  701    H    ILE  89           H        ILE  89  19.590  19.623   4.402
  702    HA   ILE  89           HA       ILE  89  22.267  19.963   3.318
  703    HB   ILE  89           HB       ILE  89  19.812  18.729   1.977
  704   HG12  ILE  89          HG12      ILE  89  22.033  17.431   3.628
  705   HG13  ILE  89          HG13      ILE  89  20.346  17.615   4.125
  706   HG21  ILE  89          HG21      ILE  89  21.431  17.616   0.501
  707   HG22  ILE  89          HG22      ILE  89  21.610  19.351   0.378
  708   HG23  ILE  89          HG23      ILE  89  22.778  18.421   1.336
  709   HD11  ILE  89          HD11      ILE  89  20.651  15.361   3.425
  710   HD12  ILE  89          HD12      ILE  89  19.644  16.165   2.201
  711   HD13  ILE  89          HD13      ILE  89  21.367  15.840   1.885
  712    H    THR  90           H        THR  90  19.052  21.262   2.370
  713    HA   THR  90           HA       THR  90  19.934  22.828   0.168
  714    HB   THR  90           HB       THR  90  17.656  23.494   2.046
  715    HG1  THR  90           HG1      THR  90  16.513  22.139   0.507
  716   HG21  THR  90          HG21      THR  90  18.091  24.010  -0.927
  717   HG22  THR  90          HG22      THR  90  16.645  24.451   0.001
  718   HG23  THR  90          HG23      THR  90  18.169  25.246   0.354
  719    H    VAL  91           H        VAL  91  19.685  23.748   3.632
  720    HA   VAL  91           HA       VAL  91  20.638  26.420   3.280
  721    HB   VAL  91           HB       VAL  91  20.814  24.559   5.673
  722   HG11  VAL  91          HG11      VAL  91  22.624  26.202   5.968
  723   HG12  VAL  91          HG12      VAL  91  21.521  27.529   5.538
  724   HG13  VAL  91          HG13      VAL  91  21.281  26.605   7.036
  725   HG21  VAL  91          HG21      VAL  91  18.537  25.308   4.978
  726   HG22  VAL  91          HG22      VAL  91  18.997  26.011   6.528
  727   HG23  VAL  91          HG23      VAL  91  19.069  26.997   5.055
  728    H    GLU  92           H        GLU  92  22.538  23.376   3.788
  729    HA   GLU  92           HA       GLU  92  25.123  24.682   3.709
  730    HB2  GLU  92           HB2      GLU  92  24.241  21.817   3.186
  731    HB3  GLU  92           HB3      GLU  92  25.919  22.328   3.164
  732    HG2  GLU  92           HG2      GLU  92  24.069  22.600   5.575
  733    HG3  GLU  92           HG3      GLU  92  25.205  21.282   5.315
  734    H    ALA  93           H        ALA  93  23.066  23.201   1.158
  735    HA   ALA  93           HA       ALA  93  24.935  23.476  -0.975
  736    HB1  ALA  93           HB1      ALA  93  23.023  21.930  -0.962
  737    HB2  ALA  93           HB2      ALA  93  21.892  23.303  -0.975
  738    HB3  ALA  93           HB3      ALA  93  22.953  23.007  -2.369
  739    H    TYR  94           H        TYR  94  22.407  25.734   0.220
  740    HA   TYR  94           HA       TYR  94  22.824  27.760  -1.792
  741    HB2  TYR  94           HB2      TYR  94  20.838  27.624  -0.341
  742    HB3  TYR  94           HB3      TYR  94  21.826  27.885   1.083
  743    HD1  TYR  94           HD1      TYR  94  21.019  29.504  -2.230
  744    HD2  TYR  94           HD2      TYR  94  22.021  30.077   1.928
  745    HE1  TYR  94           HE1      TYR  94  20.664  31.953  -2.482
  746    HE2  TYR  94           HE2      TYR  94  21.676  32.530   1.670
  747    HH   TYR  94           HH       TYR  94  20.676  34.000  -1.436
  748    H    LYS  95           H        LYS  95  24.293  27.226   1.417
  749    HA   LYS  95           HA       LYS  95  25.941  29.581   1.435
  750    HB2  LYS  95           HB2      LYS  95  25.177  28.310   3.399
  751    HB3  LYS  95           HB3      LYS  95  26.164  26.923   2.906
  752    HG2  LYS  95           HG2      LYS  95  28.216  28.172   3.299
  753    HG3  LYS  95           HG3      LYS  95  27.311  29.678   3.534
  754    HD2  LYS  95           HD2      LYS  95  28.071  28.722   5.678
  755    HD3  LYS  95           HD3      LYS  95  26.302  28.822   5.588
  756    HE2  LYS  95           HE2      LYS  95  26.190  26.416   4.986
  757    HE3  LYS  95           HE3      LYS  95  27.956  26.300   5.056
  758    HZ1  LYS  95           HZ1      LYS  95  26.757  25.534   7.060
  759    HZ2  LYS  95           HZ2      LYS  95  27.867  26.708   7.412
  760    HZ3  LYS  95           HZ3      LYS  95  26.264  27.063   7.371
  761    H    SER  96           H        SER  96  26.554  26.270   0.260
  762    HA   SER  96           HA       SER  96  29.346  26.909  -0.512
  763    HB2  SER  96           HB2      SER  96  29.353  24.541  -1.287
  764    HB3  SER  96           HB3      SER  96  28.945  24.741   0.421
  765    HG   SER  96           HG       SER  96  26.852  24.279   0.025
  766    H    GLY  97           H        GLY  97  26.281  27.215  -2.085
  767    HA2  GLY  97           HA2      GLY  97  25.956  28.318  -4.133
  768    HA3  GLY  97           HA3      GLY  97  27.615  27.921  -4.641
  769    H    GLU  98           H        GLU  98  26.278  25.116  -3.470
  770    HA   GLU  98           HA       GLU  98  26.067  23.842  -6.050
  771    HB2  GLU  98           HB2      GLU  98  25.143  22.928  -3.292
  772    HB3  GLU  98           HB3      GLU  98  25.285  21.893  -4.712
  773    HG2  GLU  98           HG2      GLU  98  27.605  23.358  -3.369
  774    HG3  GLU  98           HG3      GLU  98  27.172  21.677  -3.092
  775    H    LEU  99           H        LEU  99  23.647  25.130  -3.745
  776    HA   LEU  99           HA       LEU  99  21.337  24.106  -5.130
  777    HB2  LEU  99           HB2      LEU  99  21.387  24.927  -2.742
  778    HB3  LEU  99           HB3      LEU  99  21.587  26.573  -3.345
  779    HG   LEU  99           HG       LEU  99  19.358  26.350  -4.522
  780   HD11  LEU  99          HD11      LEU  99  19.231  23.731  -2.969
  781   HD12  LEU  99          HD12      LEU  99  17.836  24.519  -3.744
  782   HD13  LEU  99          HD13      LEU  99  19.166  23.919  -4.731
  783   HD21  LEU  99          HD21      LEU  99  18.042  26.541  -2.398
  784   HD22  LEU  99          HD22      LEU  99  19.466  25.955  -1.507
  785   HD23  LEU  99          HD23      LEU  99  19.534  27.497  -2.386
  786    H    GLN 100           H        GLN 100  23.116  27.204  -5.396
  787    HA   GLN 100           HA       GLN 100  21.403  28.475  -7.296
  788    HB2  GLN 100           HB2      GLN 100  23.220  29.603  -6.034
  789    HB3  GLN 100           HB3      GLN 100  24.430  28.692  -6.935
  790    HG2  GLN 100           HG2      GLN 100  23.713  29.754  -9.045
  791    HG3  GLN 100           HG3      GLN 100  22.439  30.633  -8.191
  792   HE21  GLN 100          HE22      GLN 100  23.237  32.154  -6.358
  793   HE22  GLN 100          HE21      GLN 100  24.775  32.956  -6.653
  794    H    GLU 101           H        GLU 101  24.272  26.332  -7.856
  795    HA   GLU 101           HA       GLU 101  24.014  26.279 -10.675
  796    HB2  GLU 101           HB2      GLU 101  25.999  25.528  -9.375
  797    HB3  GLU 101           HB3      GLU 101  25.109  24.084  -8.871
  798    HG2  GLU 101           HG2      GLU 101  24.885  23.379 -11.232
  799    HG3  GLU 101           HG3      GLU 101  25.687  24.863 -11.764
  800    H    GLN 102           H        GLN 102  22.596  23.980  -8.229
  801    HA   GLN 102           HA       GLN 102  21.336  22.376 -10.215
  802    HB2  GLN 102           HB2      GLN 102  21.801  21.608  -7.913
  803    HB3  GLN 102           HB3      GLN 102  20.647  22.777  -7.263
  804    HG2  GLN 102           HG2      GLN 102  19.696  20.525  -7.303
  805    HG3  GLN 102           HG3      GLN 102  18.778  21.595  -8.349
  806   HE21  GLN 102          HE22      GLN 102  19.032  21.320 -10.727
  807   HE22  GLN 102          HE21      GLN 102  19.573  19.743 -11.326
  808    H    VAL 103           H        VAL 103  20.037  25.196  -8.389
  809    HA   VAL 103           HA       VAL 103  17.375  24.952  -9.513
  810    HB   VAL 103           HB       VAL 103  18.804  27.240  -8.145
  811   HG11  VAL 103          HG11      VAL 103  16.553  28.326  -7.916
  812   HG12  VAL 103          HG12      VAL 103  17.118  28.290  -9.587
  813   HG13  VAL 103          HG13      VAL 103  15.888  27.124  -9.047
  814   HG21  VAL 103          HG21      VAL 103  18.189  25.243  -6.742
  815   HG22  VAL 103          HG22      VAL 103  17.257  26.663  -6.278
  816   HG23  VAL 103          HG23      VAL 103  16.511  25.397  -7.272
  817    H    GLU 104           H        GLU 104  20.312  26.835 -10.520
  818    HA   GLU 104           HA       GLU 104  19.123  28.044 -12.803
  819    HB2  GLU 104           HB2      GLU 104  21.331  28.647 -11.884
  820    HB3  GLU 104           HB3      GLU 104  21.988  27.091 -12.421
  821    HG2  GLU 104           HG2      GLU 104  21.533  27.687 -14.767
  822    HG3  GLU 104           HG3      GLU 104  20.760  29.192 -14.255
  823    H    LYS 105           H        LYS 105  20.710  24.796 -12.445
  824    HA   LYS 105           HA       LYS 105  20.210  23.985 -15.137
  825    HB2  LYS 105           HB2      LYS 105  20.725  22.505 -12.534
  826    HB3  LYS 105           HB3      LYS 105  20.421  21.614 -14.020
  827    HG2  LYS 105           HG2      LYS 105  22.576  23.759 -13.876
  828    HG3  LYS 105           HG3      LYS 105  22.888  22.086 -13.400
  829    HD2  LYS 105           HD2      LYS 105  22.460  21.243 -15.575
  830    HD3  LYS 105           HD3      LYS 105  21.660  22.730 -16.100
  831    HE2  LYS 105           HE2      LYS 105  23.870  23.946 -15.785
  832    HE3  LYS 105           HE3      LYS 105  24.631  22.359 -15.582
  833    HZ1  LYS 105           HZ1      LYS 105  24.690  23.179 -17.903
  834    HZ2  LYS 105           HZ2      LYS 105  23.847  21.777 -17.807
  835    HZ3  LYS 105           HZ3      LYS 105  23.047  23.202 -17.964
  836    H    ALA 106           H        ALA 106  18.105  23.661 -12.249
  837    HA   ALA 106           HA       ALA 106  16.035  22.194 -13.586
  838    HB1  ALA 106           HB1      ALA 106  14.654  22.913 -11.675
  839    HB2  ALA 106           HB2      ALA 106  16.257  22.382 -11.128
  840    HB3  ALA 106           HB3      ALA 106  15.869  24.117 -11.213
  841    H    MET 107           H        MET 107  16.617  25.716 -13.372
  842    HA   MET 107           HA       MET 107  14.085  26.399 -14.698
  843    HB2  MET 107           HB2      MET 107  16.504  28.066 -13.882
  844    HB3  MET 107           HB3      MET 107  15.013  28.725 -14.568
  845    HG2  MET 107           HG2      MET 107  15.186  27.145 -11.976
  846    HG3  MET 107           HG3      MET 107  15.131  28.892 -12.093
  847    HE1  MET 107           HE1      MET 107  13.317  26.998 -10.306
  848    HE2  MET 107           HE2      MET 107  13.210  28.776 -10.267
  849    HE3  MET 107           HE3      MET 107  11.734  27.799 -10.457
  850    H    CYS 108           H        CYS 108  17.539  26.578 -15.647
  851    HA   CYS 108           HA       CYS 108  16.753  27.359 -18.414
  852    HB2  CYS 108           HB2      CYS 108  19.353  27.644 -16.840
  853    HB3  CYS 108           HB3      CYS 108  19.079  28.238 -18.483
  854    HG   CYS 108           HG       CYS 108  18.976  30.275 -16.816
  855    H    SER 109           H        SER 109  18.456  24.803 -16.708
  856    HA   SER 109           HA       SER 109  19.519  22.871 -17.329
  857    HB2  SER 109           HB2      SER 109  17.595  23.021 -19.667
  858    HB3  SER 109           HB3      SER 109  18.462  21.578 -19.102
  859    HG   SER 109           HG       SER 109  17.416  22.604 -16.955
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  -3.486   1.462  -1.181
    2    H2   MET   1           H2       MET   1  -3.625   1.089   0.409
    3    H3   MET   1           H3       MET   1  -2.881   2.471  -0.041
    4    HA   MET   1           HA       MET   1  -1.267   0.844   0.676
    5    HB2  MET   1           HB2      MET   1  -2.415  -0.845  -1.586
    6    HB3  MET   1           HB3      MET   1  -0.837  -1.125  -0.837
    7    HG2  MET   1           HG2      MET   1  -1.926  -1.392   1.372
    8    HG3  MET   1           HG3      MET   1  -3.511  -1.186   0.610
    9    HE1  MET   1           HE1      MET   1  -3.501  -4.964   1.603
   10    HE2  MET   1           HE2      MET   1  -2.784  -3.605   2.495
   11    HE3  MET   1           HE3      MET   1  -4.373  -3.422   1.711
   12    H    ALA   2           H        ALA   2  -1.393   0.583  -2.925
   13    HA   ALA   2           HA       ALA   2   1.163   1.955  -3.146
   14    HB1  ALA   2           HB1      ALA   2   0.895   1.412  -5.533
   15    HB2  ALA   2           HB2      ALA   2   0.516   0.003  -4.528
   16    HB3  ALA   2           HB3      ALA   2  -0.797   0.954  -5.259
   17    H    LEU   3           H        LEU   3   1.410   3.611  -4.963
   18    HA   LEU   3           HA       LEU   3   0.044   6.066  -4.297
   19    HB2  LEU   3           HB2      LEU   3   1.974   5.198  -6.491
   20    HB3  LEU   3           HB3      LEU   3   1.226   6.788  -6.514
   21    HG   LEU   3           HG       LEU   3   2.271   7.467  -4.481
   22   HD11  LEU   3          HD11      LEU   3   3.461   4.656  -4.311
   23   HD12  LEU   3          HD12      LEU   3   3.975   6.038  -3.320
   24   HD13  LEU   3          HD13      LEU   3   2.336   5.413  -3.151
   25   HD21  LEU   3          HD21      LEU   3   3.539   7.726  -6.554
   26   HD22  LEU   3          HD22      LEU   3   4.631   7.417  -5.196
   27   HD23  LEU   3          HD23      LEU   3   4.261   6.114  -6.343
   28    H    THR   4           H        THR   4  -1.717   7.043  -5.193
   29    HA   THR   4           HA       THR   4  -3.285   5.611  -7.237
   30    HB   THR   4           HB       THR   4  -4.998   7.338  -6.819
   31    HG1  THR   4           HG1      THR   4  -4.517   8.772  -5.034
   32   HG21  THR   4          HG21      THR   4  -4.861   5.332  -5.320
   33   HG22  THR   4          HG22      THR   4  -3.885   6.287  -4.182
   34   HG23  THR   4          HG23      THR   4  -5.554   6.762  -4.539
   35    HA   PRO   5           HA       PRO   5  -1.922   8.199 -10.621
   36    HB2  PRO   5           HB2      PRO   5  -4.198   8.520 -12.137
   37    HB3  PRO   5           HB3      PRO   5  -3.237   7.010 -12.077
   38    HG2  PRO   5           HG2      PRO   5  -5.753   7.686 -10.518
   39    HG3  PRO   5           HG3      PRO   5  -5.380   6.185 -11.425
   40    HD2  PRO   5           HD2      PRO   5  -5.032   6.333  -8.738
   41    HD3  PRO   5           HD3      PRO   5  -3.868   5.446  -9.759
   42    H    ALA   6           H        ALA   6  -4.893   9.185  -8.820
   43    HA   ALA   6           HA       ALA   6  -4.844  11.947  -9.507
   44    HB1  ALA   6           HB1      ALA   6  -5.840  10.532  -6.987
   45    HB2  ALA   6           HB2      ALA   6  -6.278  12.176  -7.509
   46    HB3  ALA   6           HB3      ALA   6  -6.764  10.783  -8.483
   47    H    LEU   7           H        LEU   7  -3.215  10.212  -6.796
   48    HA   LEU   7           HA       LEU   7  -2.001  12.512  -5.590
   49    HB2  LEU   7           HB2      LEU   7  -2.185  10.391  -4.428
   50    HB3  LEU   7           HB3      LEU   7  -1.290   9.552  -5.689
   51    HG   LEU   7           HG       LEU   7   0.774  10.769  -5.081
   52   HD11  LEU   7          HD11      LEU   7  -0.172  12.850  -4.142
   53   HD12  LEU   7          HD12      LEU   7  -0.879  11.933  -2.793
   54   HD13  LEU   7          HD13      LEU   7   0.884  12.047  -2.978
   55   HD21  LEU   7          HD21      LEU   7   1.150   9.576  -2.976
   56   HD22  LEU   7          HD22      LEU   7  -0.606   9.354  -2.768
   57   HD23  LEU   7          HD23      LEU   7   0.237   8.573  -4.118
   58    H    LYS   8           H        LYS   8  -0.663  10.141  -7.963
   59    HA   LYS   8           HA       LYS   8   1.827  11.479  -8.342
   60    HB2  LYS   8           HB2      LYS   8   0.213   9.604 -10.119
   61    HB3  LYS   8           HB3      LYS   8   1.857  10.147 -10.500
   62    HG2  LYS   8           HG2      LYS   8   2.741   9.139  -8.456
   63    HG3  LYS   8           HG3      LYS   8   1.125   8.711  -7.903
   64    HD2  LYS   8           HD2      LYS   8   2.210   6.742  -8.797
   65    HD3  LYS   8           HD3      LYS   8   0.847   7.181  -9.835
   66    HE2  LYS   8           HE2      LYS   8   2.421   8.257 -11.442
   67    HE3  LYS   8           HE3      LYS   8   3.781   7.867 -10.374
   68    HZ1  LYS   8           HZ1      LYS   8   3.554   6.243 -12.163
   69    HZ2  LYS   8           HZ2      LYS   8   3.297   5.506 -10.728
   70    HZ3  LYS   8           HZ3      LYS   8   2.031   5.869 -11.710
   71    H    THR   9           H        THR   9  -1.280  11.985 -10.063
   72    HA   THR   9           HA       THR   9  -0.396  13.942 -11.940
   73    HB   THR   9           HB       THR   9  -3.070  13.313 -10.742
   74    HG1  THR   9           HG1      THR   9  -2.470  11.631 -11.912
   75   HG21  THR   9          HG21      THR   9  -3.206  15.527 -11.674
   76   HG22  THR   9          HG22      THR   9  -2.336  15.002 -13.142
   77   HG23  THR   9          HG23      THR   9  -3.975  14.391 -12.792
   78    H    THR  10           H        THR  10  -1.711  14.242  -8.603
   79    HA   THR  10           HA       THR  10  -1.784  17.118  -8.565
   80    HB   THR  10           HB       THR  10  -1.522  15.151  -6.243
   81    HG1  THR  10           HG1      THR  10  -3.363  14.757  -7.406
   82   HG21  THR  10          HG21      THR  10  -2.616  16.972  -4.939
   83   HG22  THR  10          HG22      THR  10  -1.004  17.432  -5.494
   84   HG23  THR  10          HG23      THR  10  -2.439  18.064  -6.332
   85    H    LEU  11           H        LEU  11   0.672  14.795  -7.407
   86    HA   LEU  11           HA       LEU  11   2.655  16.640  -6.563
   87    HB2  LEU  11           HB2      LEU  11   2.835  13.828  -7.709
   88    HB3  LEU  11           HB3      LEU  11   4.219  14.696  -7.055
   89    HG   LEU  11           HG       LEU  11   1.711  14.148  -5.405
   90   HD11  LEU  11          HD11      LEU  11   2.916  12.283  -4.387
   91   HD12  LEU  11          HD12      LEU  11   2.775  12.007  -6.132
   92   HD13  LEU  11          HD13      LEU  11   4.313  12.570  -5.438
   93   HD21  LEU  11          HD21      LEU  11   3.304  14.533  -3.500
   94   HD22  LEU  11          HD22      LEU  11   4.549  14.988  -4.669
   95   HD23  LEU  11          HD23      LEU  11   3.074  15.970  -4.500
   96    H    ASP  12           H        ASP  12   2.388  15.043  -9.802
   97    HA   ASP  12           HA       ASP  12   4.410  16.532 -11.086
   98    HB2  ASP  12           HB2      ASP  12   3.316  14.530 -12.024
   99    HB3  ASP  12           HB3      ASP  12   1.813  15.432 -12.228
  100    H    LYS  13           H        LYS  13   0.901  17.366 -10.745
  101    HA   LYS  13           HA       LYS  13   1.044  19.775 -12.232
  102    HB2  LYS  13           HB2      LYS  13  -1.050  18.579 -11.636
  103    HB3  LYS  13           HB3      LYS  13  -0.836  19.022  -9.947
  104    HG2  LYS  13           HG2      LYS  13  -2.484  20.456 -10.992
  105    HG3  LYS  13           HG3      LYS  13  -1.099  21.405 -10.485
  106    HD2  LYS  13           HD2      LYS  13  -1.920  22.169 -12.635
  107    HD3  LYS  13           HD3      LYS  13  -0.285  21.526 -12.824
  108    HE2  LYS  13           HE2      LYS  13  -1.237  19.382 -13.690
  109    HE3  LYS  13           HE3      LYS  13  -2.874  20.006 -13.442
  110    HZ1  LYS  13           HZ1      LYS  13  -0.874  21.167 -15.317
  111    HZ2  LYS  13           HZ2      LYS  13  -2.169  20.268 -15.744
  112    HZ3  LYS  13           HZ3      LYS  13  -2.396  21.740 -15.086
  113    H    VAL  14           H        VAL  14   1.433  19.398  -8.580
  114    HA   VAL  14           HA       VAL  14   2.017  22.168  -8.323
  115    HB   VAL  14           HB       VAL  14   2.881  21.692  -6.148
  116   HG11  VAL  14          HG11      VAL  14   0.447  21.933  -6.522
  117   HG12  VAL  14          HG12      VAL  14   0.306  20.171  -6.662
  118   HG13  VAL  14          HG13      VAL  14   0.812  20.897  -5.127
  119   HG21  VAL  14          HG21      VAL  14   2.870  19.509  -5.083
  120   HG22  VAL  14          HG22      VAL  14   2.439  18.758  -6.617
  121   HG23  VAL  14          HG23      VAL  14   4.022  19.543  -6.419
  122    H    VAL  15           H        VAL  15   4.191  19.363  -8.898
  123    HA   VAL  15           HA       VAL  15   6.642  20.775  -8.704
  124    HB   VAL  15           HB       VAL  15   5.812  18.293 -10.115
  125   HG11  VAL  15          HG11      VAL  15   8.201  17.694 -10.424
  126   HG12  VAL  15          HG12      VAL  15   7.710  19.039 -11.447
  127   HG13  VAL  15          HG13      VAL  15   8.663  19.350  -9.970
  128   HG21  VAL  15          HG21      VAL  15   5.913  18.341  -7.593
  129   HG22  VAL  15          HG22      VAL  15   7.064  17.201  -8.294
  130   HG23  VAL  15          HG23      VAL  15   7.613  18.787  -7.697
  131    H    THR  16           H        THR  16   4.424  20.533 -11.485
  132    HA   THR  16           HA       THR  16   6.336  21.913 -13.262
  133    HB   THR  16           HB       THR  16   4.498  21.666 -14.956
  134    HG1  THR  16           HG1      THR  16   3.372  19.874 -13.103
  135   HG21  THR  16          HG21      THR  16   4.780  19.214 -15.191
  136   HG22  THR  16          HG22      THR  16   6.314  20.025 -14.825
  137   HG23  THR  16          HG23      THR  16   5.472  19.125 -13.555
  138    H    SER  17           H        SER  17   3.126  22.690 -11.854
  139    HA   SER  17           HA       SER  17   3.003  25.261 -13.154
  140    HB2  SER  17           HB2      SER  17   1.103  25.726 -11.713
  141    HB3  SER  17           HB3      SER  17   0.986  24.115 -12.425
  142    HG   SER  17           HG       SER  17   1.522  23.209 -10.463
  143    H    HIS  18           H        HIS  18   4.321  24.347  -9.988
  144    HA   HIS  18           HA       HIS  18   5.488  27.085  -9.707
  145    HB2  HIS  18           HB2      HIS  18   4.051  25.466  -7.562
  146    HB3  HIS  18           HB3      HIS  18   5.084  26.860  -7.239
  147    HD1  HIS  18           HD1      HIS  18   4.177  29.270  -8.365
  148    HD2  HIS  18           HD2      HIS  18   1.534  26.001  -8.185
  149    HE1  HIS  18           HE1      HIS  18   1.848  30.224  -8.712
  150    H    LYS  19           H        LYS  19   7.179  25.786 -10.873
  151    HA   LYS  19           HA       LYS  19   8.423  23.566  -9.753
  152    HB2  LYS  19           HB2      LYS  19  10.300  23.992 -11.241
  153    HB3  LYS  19           HB3      LYS  19   8.747  24.216 -12.039
  154    HG2  LYS  19           HG2      LYS  19   9.003  26.705 -11.810
  155    HG3  LYS  19           HG3      LYS  19  10.568  26.449 -11.027
  156    HD2  LYS  19           HD2      LYS  19  11.014  26.987 -13.293
  157    HD3  LYS  19           HD3      LYS  19  11.341  25.252 -13.113
  158    HE2  LYS  19           HE2      LYS  19   9.137  24.723 -14.129
  159    HE3  LYS  19           HE3      LYS  19   8.764  26.450 -14.241
  160    HZ1  LYS  19           HZ1      LYS  19   9.580  25.612 -16.350
  161    HZ2  LYS  19           HZ2      LYS  19  10.680  26.677 -15.763
  162    HZ3  LYS  19           HZ3      LYS  19  10.973  25.064 -15.688
  163    H    VAL  20           H        VAL  20  10.117  23.120  -8.479
  164    HA   VAL  20           HA       VAL  20  11.592  23.253  -6.740
  165    HB   VAL  20           HB       VAL  20  11.190  26.263  -6.448
  166   HG11  VAL  20          HG11      VAL  20  11.985  25.129  -4.415
  167   HG12  VAL  20          HG12      VAL  20  13.292  24.360  -5.341
  168   HG13  VAL  20          HG13      VAL  20  13.246  26.127  -5.149
  169   HG21  VAL  20          HG21      VAL  20  12.279  25.712  -8.676
  170   HG22  VAL  20          HG22      VAL  20  13.332  26.563  -7.546
  171   HG23  VAL  20          HG23      VAL  20  13.519  24.815  -7.785
  172    H    VAL  21           H        VAL  21  10.173  21.941  -5.620
  173    HA   VAL  21           HA       VAL  21   7.941  23.288  -4.114
  174    HB   VAL  21           HB       VAL  21   8.183  20.405  -5.026
  175   HG11  VAL  21          HG11      VAL  21   6.982  20.424  -2.896
  176   HG12  VAL  21          HG12      VAL  21   5.983  21.797  -3.434
  177   HG13  VAL  21          HG13      VAL  21   5.814  20.207  -4.201
  178   HG21  VAL  21          HG21      VAL  21   6.198  20.964  -6.411
  179   HG22  VAL  21          HG22      VAL  21   6.309  22.655  -5.885
  180   HG23  VAL  21          HG23      VAL  21   7.607  21.932  -6.863
  181    H    LEU  22           H        LEU  22   7.919  23.220  -1.949
  182    HA   LEU  22           HA       LEU  22   9.882  21.447  -0.504
  183    HB2  LEU  22           HB2      LEU  22   8.480  24.030   0.317
  184    HB3  LEU  22           HB3      LEU  22   9.214  22.945   1.473
  185    HG   LEU  22           HG       LEU  22  10.672  24.749   1.113
  186   HD11  LEU  22          HD11      LEU  22  11.738  22.540   1.445
  187   HD12  LEU  22          HD12      LEU  22  11.847  22.328  -0.317
  188   HD13  LEU  22          HD13      LEU  22  12.750  23.619   0.466
  189   HD21  LEU  22          HD21      LEU  22  10.881  24.091  -1.858
  190   HD22  LEU  22          HD22      LEU  22   9.911  25.421  -1.179
  191   HD23  LEU  22          HD23      LEU  22  11.671  25.409  -0.978
  192    H    PHE  23           H        PHE  23   9.121  19.697   0.360
  193    HA   PHE  23           HA       PHE  23   6.195  19.438   0.938
  194    HB2  PHE  23           HB2      PHE  23   8.403  17.432   0.381
  195    HB3  PHE  23           HB3      PHE  23   6.823  16.978   0.987
  196    HD1  PHE  23           HD2      PHE  23   4.788  18.196  -0.468
  197    HD2  PHE  23           HD1      PHE  23   8.673  16.993  -1.911
  198    HE1  PHE  23           HE2      PHE  23   3.883  18.035  -2.766
  199    HE2  PHE  23           HE1      PHE  23   7.737  16.811  -4.211
  200    HZ   PHE  23           HZ       PHE  23   5.362  17.365  -4.645
  201    H    MET  24           H        MET  24   5.673  19.775   2.968
  202    HA   MET  24           HA       MET  24   6.920  18.541   5.240
  203    HB2  MET  24           HB2      MET  24   7.690  20.680   6.372
  204    HB3  MET  24           HB3      MET  24   8.674  20.078   5.067
  205    HG2  MET  24           HG2      MET  24   8.638  22.395   4.882
  206    HG3  MET  24           HG3      MET  24   7.712  21.765   3.522
  207    HE1  MET  24           HE1      MET  24   7.468  24.440   3.509
  208    HE2  MET  24           HE2      MET  24   6.377  25.351   4.581
  209    HE3  MET  24           HE3      MET  24   7.956  24.765   5.186
  210    H    LYS  25           H        LYS  25   5.955  20.214   7.290
  211    HA   LYS  25           HA       LYS  25   3.174  19.338   7.111
  212    HB2  LYS  25           HB2      LYS  25   4.753  20.636   9.376
  213    HB3  LYS  25           HB3      LYS  25   3.153  19.901   9.527
  214    HG2  LYS  25           HG2      LYS  25   4.093  17.711   8.826
  215    HG3  LYS  25           HG3      LYS  25   5.712  18.434   8.745
  216    HD2  LYS  25           HD2      LYS  25   5.537  19.040  11.162
  217    HD3  LYS  25           HD3      LYS  25   3.944  18.245  11.230
  218    HE2  LYS  25           HE2      LYS  25   5.000  16.097  10.524
  219    HE3  LYS  25           HE3      LYS  25   6.578  16.895  10.452
  220    HZ1  LYS  25           HZ1      LYS  25   6.270  15.723  12.554
  221    HZ2  LYS  25           HZ2      LYS  25   6.388  17.322  12.850
  222    HZ3  LYS  25           HZ3      LYS  25   4.926  16.582  12.911
  223    H    GLY  26           H        GLY  26   4.402  22.194   6.062
  224    HA2  GLY  26           HA2      GLY  26   2.034  23.874   6.869
  225    HA3  GLY  26           HA3      GLY  26   3.670  24.495   6.668
  226    H    THR  27           H        THR  27   1.782  25.767   5.376
  227    HA   THR  27           HA       THR  27   1.841  24.944   2.493
  228    HB   THR  27           HB       THR  27  -0.015  26.531   2.207
  229    HG1  THR  27           HG1      THR  27  -0.953  27.319   4.202
  230   HG21  THR  27          HG21      THR  27  -0.509  24.148   2.807
  231   HG22  THR  27          HG22      THR  27  -0.620  24.622   4.514
  232   HG23  THR  27          HG23      THR  27  -1.762  25.289   3.332
  233    H    LYS  28           H        LYS  28   1.824  27.018   1.037
  234    HA   LYS  28           HA       LYS  28   4.233  28.539   1.500
  235    HB2  LYS  28           HB2      LYS  28   3.136  27.925  -0.723
  236    HB3  LYS  28           HB3      LYS  28   1.911  29.159  -0.400
  237    HG2  LYS  28           HG2      LYS  28   3.685  30.901  -0.342
  238    HG3  LYS  28           HG3      LYS  28   4.919  29.649  -0.590
  239    HD2  LYS  28           HD2      LYS  28   3.880  29.099  -2.794
  240    HD3  LYS  28           HD3      LYS  28   2.678  30.381  -2.536
  241    HE2  LYS  28           HE2      LYS  28   4.451  32.078  -2.454
  242    HE3  LYS  28           HE3      LYS  28   5.706  30.832  -2.556
  243    HZ1  LYS  28           HZ1      LYS  28   5.260  31.902  -4.708
  244    HZ2  LYS  28           HZ2      LYS  28   4.971  30.288  -4.774
  245    HZ3  LYS  28           HZ3      LYS  28   3.716  31.361  -4.700
  246    H    ASP  29           H        ASP  29   0.841  29.157   2.247
  247    HA   ASP  29           HA       ASP  29   1.182  31.947   3.035
  248    HB2  ASP  29           HB2      ASP  29  -0.941  31.017   2.160
  249    HB3  ASP  29           HB3      ASP  29  -1.051  29.948   3.562
  250    H    PHE  30           H        PHE  30   1.239  28.807   4.703
  251    HA   PHE  30           HA       PHE  30   2.233  30.129   7.177
  252    HB2  PHE  30           HB2      PHE  30  -0.177  29.694   7.411
  253    HB3  PHE  30           HB3      PHE  30   0.081  27.991   7.069
  254    HD1  PHE  30           HD1      PHE  30   1.096  30.754   9.411
  255    HD2  PHE  30           HD2      PHE  30   0.577  26.503   8.887
  256    HE1  PHE  30           HE1      PHE  30   1.542  30.398  11.828
  257    HE2  PHE  30           HE2      PHE  30   1.022  26.155  11.302
  258    HZ   PHE  30           HZ       PHE  30   1.509  28.098  12.777
  259    HA   PRO  31           HA       PRO  31   5.008  26.652   5.953
  260    HB2  PRO  31           HB2      PRO  31   7.402  27.940   6.087
  261    HB3  PRO  31           HB3      PRO  31   6.288  28.136   4.697
  262    HG2  PRO  31           HG2      PRO  31   6.585  29.950   7.114
  263    HG3  PRO  31           HG3      PRO  31   6.595  30.408   5.380
  264    HD2  PRO  31           HD2      PRO  31   4.347  30.564   6.923
  265    HD3  PRO  31           HD3      PRO  31   4.266  30.115   5.193
  266    H    GLN  32           H        GLN  32   6.976  25.768   7.219
  267    HA   GLN  32           HA       GLN  32   6.342  25.802  10.099
  268    HB2  GLN  32           HB2      GLN  32   8.226  24.064   8.429
  269    HB3  GLN  32           HB3      GLN  32   7.946  23.869  10.152
  270    HG2  GLN  32           HG2      GLN  32   5.862  23.554   7.939
  271    HG3  GLN  32           HG3      GLN  32   6.647  22.255   8.833
  272   HE21  GLN  32          HE22      GLN  32   6.355  22.493  11.414
  273   HE22  GLN  32          HE21      GLN  32   4.725  22.932  11.885
  274    H    CYS  33           H        CYS  33   7.860  26.176  11.690
  275    HA   CYS  33           HA       CYS  33   9.637  28.389  11.243
  276    HB2  CYS  33           HB2      CYS  33   9.129  26.648  13.705
  277    HB3  CYS  33           HB3      CYS  33   9.998  28.193  13.704
  278    HG   CYS  33           HG       CYS  33   7.581  28.578  14.672
  279    H    GLY  34           H        GLY  34  11.848  28.454  12.302
  280    HA2  GLY  34           HA2      GLY  34  14.035  27.735  12.606
  281    HA3  GLY  34           HA3      GLY  34  13.462  26.061  12.491
  282    H    PHE  35           H        PHE  35  14.924  25.176  11.113
  283    HA   PHE  35           HA       PHE  35  16.224  26.348   8.933
  284    HB2  PHE  35           HB2      PHE  35  15.350  23.443   9.292
  285    HB3  PHE  35           HB3      PHE  35  16.511  24.007   8.103
  286    HD1  PHE  35           HD2      PHE  35  18.693  25.044   8.827
  287    HD2  PHE  35           HD1      PHE  35  16.062  22.990  11.557
  288    HE1  PHE  35           HE2      PHE  35  20.571  24.763  10.423
  289    HE2  PHE  35           HE1      PHE  35  17.940  22.714  13.155
  290    HZ   PHE  35           HZ       PHE  35  20.197  23.594  12.589
  291    H    SER  36           H        SER  36  13.009  24.688   8.875
  292    HA   SER  36           HA       SER  36  12.570  24.818   6.081
  293    HB2  SER  36           HB2      SER  36  10.583  24.998   8.370
  294    HB3  SER  36           HB3      SER  36  10.184  24.622   6.675
  295    HG   SER  36           HG       SER  36  10.538  22.756   8.126
  296    H    GLN  37           H        GLN  37  11.791  27.344   8.549
  297    HA   GLN  37           HA       GLN  37  10.616  29.192   6.711
  298    HB2  GLN  37           HB2      GLN  37  10.418  29.272   9.191
  299    HB3  GLN  37           HB3      GLN  37  12.121  29.731   9.318
  300    HG2  GLN  37           HG2      GLN  37  11.641  31.822   8.061
  301    HG3  GLN  37           HG3      GLN  37   9.952  31.329   7.893
  302   HE21  GLN  37          HE22      GLN  37   9.989  33.698   8.978
  303   HE22  GLN  37          HE21      GLN  37   9.872  33.650  10.727
  304    H    THR  38           H        THR  38  14.019  28.940   7.934
  305    HA   THR  38           HA       THR  38  15.155  30.964   6.338
  306    HB   THR  38           HB       THR  38  16.467  28.356   7.216
  307    HG1  THR  38           HG1      THR  38  16.972  29.638   9.075
  308   HG21  THR  38          HG21      THR  38  17.588  31.145   6.679
  309   HG22  THR  38          HG22      THR  38  18.506  29.779   7.354
  310   HG23  THR  38          HG23      THR  38  17.880  29.693   5.701
  311    H    VAL  39           H        VAL  39  14.726  27.506   5.585
  312    HA   VAL  39           HA       VAL  39  15.823  27.571   2.965
  313    HB   VAL  39           HB       VAL  39  13.924  25.714   4.376
  314   HG11  VAL  39          HG11      VAL  39  14.177  24.096   2.514
  315   HG12  VAL  39          HG12      VAL  39  13.195  25.495   2.058
  316   HG13  VAL  39          HG13      VAL  39  14.887  25.387   1.519
  317   HG21  VAL  39          HG21      VAL  39  16.338  25.751   4.964
  318   HG22  VAL  39          HG22      VAL  39  15.888  24.243   4.178
  319   HG23  VAL  39          HG23      VAL  39  16.767  25.480   3.266
  320    H    VAL  40           H        VAL  40  12.378  28.028   3.990
  321    HA   VAL  40           HA       VAL  40  11.342  28.428   1.374
  322    HB   VAL  40           HB       VAL  40  10.474  29.305   4.129
  323   HG11  VAL  40          HG11      VAL  40   9.040  30.032   1.551
  324   HG12  VAL  40          HG12      VAL  40   8.301  30.078   3.164
  325   HG13  VAL  40          HG13      VAL  40   9.647  31.154   2.787
  326   HG21  VAL  40          HG21      VAL  40   8.646  27.720   3.671
  327   HG22  VAL  40          HG22      VAL  40   9.242  27.489   2.016
  328   HG23  VAL  40          HG23      VAL  40  10.211  26.933   3.381
  329    H    GLN  41           H        GLN  41  12.787  30.844   3.645
  330    HA   GLN  41           HA       GLN  41  12.574  33.063   1.803
  331    HB2  GLN  41           HB2      GLN  41  14.454  32.523   4.153
  332    HB3  GLN  41           HB3      GLN  41  14.400  34.048   3.270
  333    HG2  GLN  41           HG2      GLN  41  12.003  32.844   4.735
  334    HG3  GLN  41           HG3      GLN  41  13.098  34.051   5.406
  335   HE21  GLN  41          HE22      GLN  41  13.063  36.257   4.493
  336   HE22  GLN  41          HE21      GLN  41  11.684  36.763   3.529
  337    H    ILE  42           H        ILE  42  15.195  30.662   2.307
  338    HA   ILE  42           HA       ILE  42  17.087  31.766   0.505
  339    HB   ILE  42           HB       ILE  42  16.569  29.034   1.645
  340   HG12  ILE  42          HG12      ILE  42  18.994  30.869   1.746
  341   HG13  ILE  42          HG13      ILE  42  17.683  30.909   2.913
  342   HG21  ILE  42          HG21      ILE  42  17.353  28.441  -0.618
  343   HG22  ILE  42          HG22      ILE  42  18.753  29.503  -0.405
  344   HG23  ILE  42          HG23      ILE  42  18.534  28.035   0.588
  345   HD11  ILE  42          HD11      ILE  42  18.170  28.503   3.490
  346   HD12  ILE  42          HD12      ILE  42  19.612  28.592   2.455
  347   HD13  ILE  42          HD13      ILE  42  19.486  29.639   3.868
  348    H    LEU  43           H        LEU  43  14.603  29.240  -0.347
  349    HA   LEU  43           HA       LEU  43  15.457  29.254  -3.111
  350    HB2  LEU  43           HB2      LEU  43  12.880  28.313  -1.743
  351    HB3  LEU  43           HB3      LEU  43  13.101  28.243  -3.478
  352    HG   LEU  43           HG       LEU  43  13.530  26.099  -2.751
  353   HD11  LEU  43          HD11      LEU  43  15.755  25.612  -3.472
  354   HD12  LEU  43          HD12      LEU  43  15.221  27.035  -4.385
  355   HD13  LEU  43          HD13      LEU  43  16.344  27.223  -3.020
  356   HD21  LEU  43          HD21      LEU  43  15.469  27.090  -0.647
  357   HD22  LEU  43          HD22      LEU  43  13.826  26.446  -0.382
  358   HD23  LEU  43          HD23      LEU  43  15.097  25.406  -1.036
  359    H    LYS  44           H        LYS  44  12.748  30.924  -1.491
  360    HA   LYS  44           HA       LYS  44  11.704  32.321  -3.692
  361    HB2  LYS  44           HB2      LYS  44  10.809  32.223  -1.375
  362    HB3  LYS  44           HB3      LYS  44  12.090  33.310  -0.822
  363    HG2  LYS  44           HG2      LYS  44  11.229  35.099  -2.295
  364    HG3  LYS  44           HG3      LYS  44   9.999  33.990  -2.948
  365    HD2  LYS  44           HD2      LYS  44   9.080  33.692  -0.651
  366    HD3  LYS  44           HD3      LYS  44  10.225  34.882  -0.031
  367    HE2  LYS  44           HE2      LYS  44   8.131  35.427  -2.200
  368    HE3  LYS  44           HE3      LYS  44   7.888  35.750  -0.479
  369    HZ1  LYS  44           HZ1      LYS  44   9.753  37.315  -0.564
  370    HZ2  LYS  44           HZ2      LYS  44   9.953  37.057  -2.170
  371    HZ3  LYS  44           HZ3      LYS  44   8.580  37.744  -1.619
  372    H    SER  45           H        SER  45  14.317  33.459  -1.507
  373    HA   SER  45           HA       SER  45  14.966  35.823  -2.967
  374    HB2  SER  45           HB2      SER  45  16.764  34.282  -1.058
  375    HB3  SER  45           HB3      SER  45  16.889  35.991  -1.509
  376    HG   SER  45           HG       SER  45  15.004  34.678   0.122
  377    H    LEU  46           H        LEU  46  16.356  32.523  -3.194
  378    HA   LEU  46           HA       LEU  46  18.484  33.095  -4.987
  379    HB2  LEU  46           HB2      LEU  46  18.196  31.024  -3.712
  380    HB3  LEU  46           HB3      LEU  46  16.718  30.646  -4.595
  381    HG   LEU  46           HG       LEU  46  17.977  30.244  -6.644
  382   HD11  LEU  46          HD11      LEU  46  20.479  30.858  -4.994
  383   HD12  LEU  46          HD12      LEU  46  20.444  30.179  -6.632
  384   HD13  LEU  46          HD13      LEU  46  19.873  31.822  -6.361
  385   HD21  LEU  46          HD21      LEU  46  19.129  28.213  -5.863
  386   HD22  LEU  46          HD22      LEU  46  19.165  28.835  -4.203
  387   HD23  LEU  46          HD23      LEU  46  17.613  28.434  -4.971
  388    H    ASN  47           H        ASN  47  15.084  32.963  -5.434
  389    HA   ASN  47           HA       ASN  47  14.065  34.487  -6.886
  390    HB2  ASN  47           HB2      ASN  47  16.155  35.018  -8.169
  391    HB3  ASN  47           HB3      ASN  47  15.829  33.604  -9.182
  392   HD21  ASN  47          HD22      ASN  47  15.650  34.990 -11.058
  393   HD22  ASN  47          HD21      ASN  47  14.233  36.001 -11.284
  394    H    ALA  48           H        ALA  48  13.368  31.984  -5.921
  395    HA   ALA  48           HA       ALA  48  12.626  30.312  -8.254
  396    HB1  ALA  48           HB1      ALA  48  13.693  29.271  -6.301
  397    HB2  ALA  48           HB2      ALA  48  12.290  29.737  -5.299
  398    HB3  ALA  48           HB3      ALA  48  12.089  28.584  -6.630
  399    HA   PRO  49           HA       PRO  49   8.194  31.416  -7.877
  400    HB2  PRO  49           HB2      PRO  49   7.197  30.016  -9.952
  401    HB3  PRO  49           HB3      PRO  49   8.333  31.367 -10.242
  402    HG2  PRO  49           HG2      PRO  49   8.987  28.406 -10.098
  403    HG3  PRO  49           HG3      PRO  49   9.445  29.573 -11.379
  404    HD2  PRO  49           HD2      PRO  49  11.087  28.903  -9.265
  405    HD3  PRO  49           HD3      PRO  49  11.128  30.506 -10.057
  406    H    PHE  50           H        PHE  50   9.173  29.914  -5.909
  407    HA   PHE  50           HA       PHE  50   8.683  27.150  -5.889
  408    HB2  PHE  50           HB2      PHE  50   9.649  27.217  -3.751
  409    HB3  PHE  50           HB3      PHE  50  10.325  28.650  -4.495
  410    HD1  PHE  50           HD1      PHE  50   9.118  30.933  -4.014
  411    HD2  PHE  50           HD2      PHE  50   8.462  27.341  -1.710
  412    HE1  PHE  50           HE1      PHE  50   8.100  32.275  -2.198
  413    HE2  PHE  50           HE2      PHE  50   7.464  28.691   0.109
  414    HZ   PHE  50           HZ       PHE  50   7.277  31.162  -0.130
  415    H    GLU  51           H        GLU  51   7.496  25.957  -4.161
  416    HA   GLU  51           HA       GLU  51   5.209  27.304  -2.940
  417    HB2  GLU  51           HB2      GLU  51   4.230  26.612  -5.068
  418    HB3  GLU  51           HB3      GLU  51   4.738  24.935  -4.797
  419    HG2  GLU  51           HG2      GLU  51   3.231  24.745  -2.893
  420    HG3  GLU  51           HG3      GLU  51   2.903  26.482  -2.918
  421    H    SER  52           H        SER  52   4.946  26.619  -0.902
  422    HA   SER  52           HA       SER  52   6.218  24.090  -0.001
  423    HB2  SER  52           HB2      SER  52   4.866  26.328   1.516
  424    HB3  SER  52           HB3      SER  52   5.525  24.856   2.253
  425    HG   SER  52           HG       SER  52   6.975  26.742   2.194
  426    H    VAL  53           H        VAL  53   5.034  22.261   0.117
  427    HA   VAL  53           HA       VAL  53   2.034  22.420  -0.044
  428    HB   VAL  53           HB       VAL  53   3.977  20.328  -1.090
  429   HG11  VAL  53          HG11      VAL  53   1.935  19.241  -2.067
  430   HG12  VAL  53          HG12      VAL  53   1.978  19.156  -0.306
  431   HG13  VAL  53          HG13      VAL  53   0.923  20.343  -1.108
  432   HG21  VAL  53          HG21      VAL  53   2.065  22.209  -2.546
  433   HG22  VAL  53          HG22      VAL  53   3.832  22.357  -2.500
  434   HG23  VAL  53          HG23      VAL  53   3.092  20.972  -3.301
  435    H    ASN  54           H        ASN  54   0.946  21.721   1.649
  436    HA   ASN  54           HA       ASN  54   2.262  20.564   3.935
  437    HB2  ASN  54           HB2      ASN  54   0.442  22.152   4.197
  438    HB3  ASN  54           HB3      ASN  54  -0.679  21.055   3.380
  439   HD21  ASN  54          HD22      ASN  54  -1.770  21.578   5.614
  440   HD22  ASN  54          HD21      ASN  54  -1.402  20.442   6.897
  441    H    ILE  55           H        ILE  55   3.038  18.505   3.663
  442    HA   ILE  55           HA       ILE  55   1.545  16.452   2.195
  443    HB   ILE  55           HB       ILE  55   3.252  14.865   3.058
  444   HG12  ILE  55          HG12      ILE  55   4.838  17.194   4.149
  445   HG13  ILE  55          HG13      ILE  55   3.671  16.388   5.198
  446   HG21  ILE  55          HG21      ILE  55   5.070  15.746   1.718
  447   HG22  ILE  55          HG22      ILE  55   3.531  16.095   0.928
  448   HG23  ILE  55          HG23      ILE  55   4.393  17.389   1.794
  449   HD11  ILE  55          HD11      ILE  55   5.839  15.470   5.538
  450   HD12  ILE  55          HD12      ILE  55   4.802  14.230   4.809
  451   HD13  ILE  55          HD13      ILE  55   6.020  15.072   3.815
  452    H    LEU  56           H        LEU  56   1.457  17.453   5.511
  453    HA   LEU  56           HA       LEU  56   0.303  14.956   6.510
  454    HB2  LEU  56           HB2      LEU  56   1.326  17.538   7.582
  455    HB3  LEU  56           HB3      LEU  56  -0.098  16.975   8.421
  456    HG   LEU  56           HG       LEU  56   2.010  16.288   9.486
  457   HD11  LEU  56          HD11      LEU  56  -0.025  14.972   9.865
  458   HD12  LEU  56          HD12      LEU  56   0.353  13.939   8.476
  459   HD13  LEU  56          HD13      LEU  56   1.413  13.937   9.898
  460   HD21  LEU  56          HD21      LEU  56   3.440  14.547   8.539
  461   HD22  LEU  56          HD22      LEU  56   2.486  14.529   7.044
  462   HD23  LEU  56          HD23      LEU  56   3.413  15.970   7.483
  463    H    GLU  57           H        GLU  57  -1.017  17.289   4.578
  464    HA   GLU  57           HA       GLU  57  -3.652  17.566   5.669
  465    HB2  GLU  57           HB2      GLU  57  -2.551  18.997   3.923
  466    HB3  GLU  57           HB3      GLU  57  -2.754  17.682   2.759
  467    HG2  GLU  57           HG2      GLU  57  -5.202  17.837   2.976
  468    HG3  GLU  57           HG3      GLU  57  -5.042  19.026   4.273
  469    H    ASN  58           H        ASN  58  -2.100  14.896   3.936
  470    HA   ASN  58           HA       ASN  58  -4.504  13.242   4.270
  471    HB2  ASN  58           HB2      ASN  58  -4.762  14.494   2.070
  472    HB3  ASN  58           HB3      ASN  58  -3.330  13.665   1.479
  473   HD21  ASN  58          HD22      ASN  58  -5.806  13.480   0.159
  474   HD22  ASN  58          HD21      ASN  58  -6.409  11.841   0.343
  475    H    GLU  59           H        GLU  59  -3.963  11.122   4.661
  476    HA   GLU  59           HA       GLU  59  -1.273  10.434   5.218
  477    HB2  GLU  59           HB2      GLU  59  -3.840   8.853   4.986
  478    HB3  GLU  59           HB3      GLU  59  -2.318   7.994   5.162
  479    HG2  GLU  59           HG2      GLU  59  -3.316  10.133   7.086
  480    HG3  GLU  59           HG3      GLU  59  -3.431   8.382   7.332
  481    H    LEU  60           H        LEU  60  -3.168   9.571   2.245
  482    HA   LEU  60           HA       LEU  60  -1.032   7.982   1.230
  483    HB2  LEU  60           HB2      LEU  60  -2.140   8.101  -0.953
  484    HB3  LEU  60           HB3      LEU  60  -3.129   7.537   0.378
  485    HG   LEU  60           HG       LEU  60  -4.392   9.629   0.416
  486   HD11  LEU  60          HD11      LEU  60  -2.598  10.474  -1.900
  487   HD12  LEU  60          HD12      LEU  60  -4.172  11.213  -1.566
  488   HD13  LEU  60          HD13      LEU  60  -2.893  11.343  -0.371
  489   HD21  LEU  60          HD21      LEU  60  -5.088   7.729  -1.002
  490   HD22  LEU  60          HD22      LEU  60  -5.562   9.275  -1.722
  491   HD23  LEU  60          HD23      LEU  60  -4.159   8.392  -2.362
  492    H    LEU  61           H        LEU  61  -1.320  11.447   1.274
  493    HA   LEU  61           HA       LEU  61   0.818  11.867  -0.696
  494    HB2  LEU  61           HB2      LEU  61  -0.979  13.504  -0.424
  495    HB3  LEU  61           HB3      LEU  61  -0.605  13.693   1.287
  496    HG   LEU  61           HG       LEU  61   1.557  14.704   0.755
  497   HD11  LEU  61          HD11      LEU  61   2.105  15.417  -1.550
  498   HD12  LEU  61          HD12      LEU  61   2.100  13.656  -1.407
  499   HD13  LEU  61          HD13      LEU  61   0.723  14.489  -2.170
  500   HD21  LEU  61          HD21      LEU  61  -0.774  15.987  -0.743
  501   HD22  LEU  61          HD22      LEU  61  -0.488  16.105   1.006
  502   HD23  LEU  61          HD23      LEU  61   0.662  16.836  -0.129
  503    H    ARG  62           H        ARG  62   0.529  12.035   2.899
  504    HA   ARG  62           HA       ARG  62   3.248  12.466   3.496
  505    HB2  ARG  62           HB2      ARG  62   1.313  12.537   5.100
  506    HB3  ARG  62           HB3      ARG  62   1.284  10.765   5.093
  507    HG2  ARG  62           HG2      ARG  62   3.704  10.806   5.902
  508    HG3  ARG  62           HG3      ARG  62   3.579  12.561   6.003
  509    HD2  ARG  62           HD2      ARG  62   3.215  11.734   8.210
  510    HD3  ARG  62           HD3      ARG  62   1.642  12.246   7.608
  511    HE   ARG  62           HE       ARG  62   0.860  10.097   7.739
  512   HH11  ARG  62          HH11      ARG  62   4.395   9.870   8.162
  513   HH12  ARG  62          HH12      ARG  62   4.301   8.180   8.535
  514   HH21  ARG  62          HH21      ARG  62   0.847   7.974   8.077
  515   HH22  ARG  62          HH22      ARG  62   2.298   7.104   8.545
  516    H    GLN  63           H        GLN  63   1.560   9.324   3.063
  517    HA   GLN  63           HA       GLN  63   3.972   7.746   3.519
  518    HB2  GLN  63           HB2      GLN  63   1.197   7.015   2.470
  519    HB3  GLN  63           HB3      GLN  63   2.483   5.860   2.830
  520    HG2  GLN  63           HG2      GLN  63   2.481   6.569   5.214
  521    HG3  GLN  63           HG3      GLN  63   1.191   7.719   4.878
  522   HE21  GLN  63          HE22      GLN  63  -0.410   6.705   6.281
  523   HE22  GLN  63          HE21      GLN  63  -1.021   5.100   5.897
  524    H    GLY  64           H        GLY  64   2.150   8.703   0.537
  525    HA2  GLY  64           HA2      GLY  64   3.612   6.876  -1.131
  526    HA3  GLY  64           HA3      GLY  64   2.481   8.145  -1.653
  527    H    LEU  65           H        LEU  65   4.111  10.333  -0.398
  528    HA   LEU  65           HA       LEU  65   5.688  11.042  -2.616
  529    HB2  LEU  65           HB2      LEU  65   4.809  12.642  -0.986
  530    HB3  LEU  65           HB3      LEU  65   5.811  11.935   0.288
  531    HG   LEU  65           HG       LEU  65   7.865  12.683  -0.926
  532   HD11  LEU  65          HD11      LEU  65   7.672  14.344  -2.746
  533   HD12  LEU  65          HD12      LEU  65   7.007  12.792  -3.252
  534   HD13  LEU  65          HD13      LEU  65   5.909  14.112  -2.787
  535   HD21  LEU  65          HD21      LEU  65   7.655  15.008  -0.333
  536   HD22  LEU  65          HD22      LEU  65   5.875  14.903  -0.377
  537   HD23  LEU  65          HD23      LEU  65   6.801  14.026   0.864
  538    H    LYS  66           H        LYS  66   6.697   9.331   0.342
  539    HA   LYS  66           HA       LYS  66   9.493   9.298   0.074
  540    HB2  LYS  66           HB2      LYS  66   8.325   8.406   2.001
  541    HB3  LYS  66           HB3      LYS  66   7.503   7.192   1.020
  542    HG2  LYS  66           HG2      LYS  66   9.631   6.047   0.572
  543    HG3  LYS  66           HG3      LYS  66  10.508   7.267   1.508
  544    HD2  LYS  66           HD2      LYS  66   9.434   6.610   3.544
  545    HD3  LYS  66           HD3      LYS  66   8.270   5.571   2.711
  546    HE2  LYS  66           HE2      LYS  66  11.279   5.097   2.550
  547    HE3  LYS  66           HE3      LYS  66  10.312   4.459   3.879
  548    HZ1  LYS  66           HZ1      LYS  66   9.003   3.197   2.328
  549    HZ2  LYS  66           HZ2      LYS  66   9.731   3.845   1.015
  550    HZ3  LYS  66           HZ3      LYS  66  10.573   2.865   2.031
  551    H    GLU  67           H        GLU  67   7.133   7.210  -1.638
  552    HA   GLU  67           HA       GLU  67   9.268   5.778  -3.082
  553    HB2  GLU  67           HB2      GLU  67   6.248   5.660  -3.393
  554    HB3  GLU  67           HB3      GLU  67   7.410   4.579  -4.150
  555    HG2  GLU  67           HG2      GLU  67   6.845   4.836  -1.163
  556    HG3  GLU  67           HG3      GLU  67   6.365   3.513  -2.218
  557    H    TYR  68           H        TYR  68   6.984   8.446  -3.738
  558    HA   TYR  68           HA       TYR  68   7.329   8.566  -6.568
  559    HB2  TYR  68           HB2      TYR  68   5.529   9.674  -5.230
  560    HB3  TYR  68           HB3      TYR  68   6.725  10.791  -4.593
  561    HD1  TYR  68           HD2      TYR  68   4.976   9.700  -7.695
  562    HD2  TYR  68           HD1      TYR  68   7.420  12.722  -5.830
  563    HE1  TYR  68           HE2      TYR  68   4.519  11.237  -9.599
  564    HE2  TYR  68           HE1      TYR  68   6.968  14.264  -7.725
  565    HH   TYR  68           HH       TYR  68   4.874  13.338 -10.481
  566    H    SER  69           H        SER  69   9.213  10.141  -3.921
  567    HA   SER  69           HA       SER  69  11.197  11.161  -5.904
  568    HB2  SER  69           HB2      SER  69  12.293  12.154  -3.959
  569    HB3  SER  69           HB3      SER  69  10.600  12.640  -4.087
  570    HG   SER  69           HG       SER  69  10.943  12.182  -1.999
  571    H    SER  70           H        SER  70  11.438   9.298  -2.940
  572    HA   SER  70           HA       SER  70  12.440   7.024  -2.859
  573    HB2  SER  70           HB2      SER  70  14.815   8.383  -4.169
  574    HB3  SER  70           HB3      SER  70  14.828   6.789  -3.409
  575    HG   SER  70           HG       SER  70  13.305   7.654  -5.610
  576    H    TRP  71           H        TRP  71  12.888  10.265  -1.893
  577    HA   TRP  71           HA       TRP  71  14.925   9.963   0.091
  578    HB2  TRP  71           HB2      TRP  71  14.213  12.109  -0.904
  579    HB3  TRP  71           HB3      TRP  71  12.654  11.957  -0.116
  580    HD1  TRP  71           HD1      TRP  71  12.470  12.689   2.353
  581    HE1  TRP  71           HE1      TRP  71  14.032  13.765   4.060
  582    HE3  TRP  71           HE3      TRP  71  16.916  12.117  -0.137
  583    HZ2  TRP  71           HZ2      TRP  71  16.867  14.249   4.361
  584    HZ3  TRP  71           HZ3      TRP  71  19.038  12.850   0.912
  585    HH2  TRP  71           HH2      TRP  71  19.033  13.901   3.156
  586    HA   PRO  72           HA       PRO  72  12.577   7.549   2.904
  587    HB2  PRO  72           HB2      PRO  72  14.143   7.553   5.155
  588    HB3  PRO  72           HB3      PRO  72  14.593   6.746   3.622
  589    HG2  PRO  72           HG2      PRO  72  15.440   9.497   4.599
  590    HG3  PRO  72           HG3      PRO  72  16.473   8.182   3.946
  591    HD2  PRO  72           HD2      PRO  72  15.602  10.226   2.380
  592    HD3  PRO  72           HD3      PRO  72  15.718   8.560   1.740
  593    H    THR  73           H        THR  73  13.554  10.688   4.451
  594    HA   THR  73           HA       THR  73  10.954  10.709   5.940
  595    HB   THR  73           HB       THR  73  12.190  11.436   7.973
  596    HG1  THR  73           HG1      THR  73  14.095  11.929   6.718
  597   HG21  THR  73          HG21      THR  73  12.883   9.238   8.714
  598   HG22  THR  73          HG22      THR  73  11.423   9.079   7.720
  599   HG23  THR  73          HG23      THR  73  13.011   8.649   7.044
  600    H    PHE  74           H        PHE  74   9.943  12.509   5.590
  601    HA   PHE  74           HA       PHE  74  11.000  14.825   4.378
  602    HB2  PHE  74           HB2      PHE  74   8.727  15.784   5.004
  603    HB3  PHE  74           HB3      PHE  74   8.720  14.289   4.095
  604    HD1  PHE  74           HD2      PHE  74   8.294  15.697   7.547
  605    HD2  PHE  74           HD1      PHE  74   7.648  12.331   4.924
  606    HE1  PHE  74           HE2      PHE  74   6.810  14.652   9.240
  607    HE2  PHE  74           HE1      PHE  74   6.176  11.291   6.618
  608    HZ   PHE  74           HZ       PHE  74   5.745  12.455   8.782
  609    HA   PRO  75           HA       PRO  75  10.039  17.514   4.705
  610    HB2  PRO  75           HB2      PRO  75  12.547  19.108   5.207
  611    HB3  PRO  75           HB3      PRO  75  10.922  19.700   4.759
  612    HG2  PRO  75           HG2      PRO  75  11.732  19.848   7.326
  613    HG3  PRO  75           HG3      PRO  75  10.085  19.212   6.985
  614    HD2  PRO  75           HD2      PRO  75  12.620  17.644   7.534
  615    HD3  PRO  75           HD3      PRO  75  10.987  17.431   8.234
  616    H    GLN  76           H        GLN  76  10.723  18.046   2.520
  617    HA   GLN  76           HA       GLN  76  13.390  17.373   1.604
  618    HB2  GLN  76           HB2      GLN  76  12.866  15.623   0.054
  619    HB3  GLN  76           HB3      GLN  76  12.319  15.130   1.654
  620    HG2  GLN  76           HG2      GLN  76   9.977  15.853   1.011
  621    HG3  GLN  76           HG3      GLN  76  10.575  16.152  -0.630
  622   HE21  GLN  76          HE22      GLN  76   9.705  13.660   1.729
  623   HE22  GLN  76          HE21      GLN  76   9.875  12.318   0.607
  624    H    LEU  77           H        LEU  77  13.690  17.861  -0.700
  625    HA   LEU  77           HA       LEU  77  11.872  20.037  -1.647
  626    HB2  LEU  77           HB2      LEU  77  13.962  20.745  -0.527
  627    HB3  LEU  77           HB3      LEU  77  14.914  19.834  -1.678
  628    HG   LEU  77           HG       LEU  77  13.108  22.186  -2.424
  629   HD11  LEU  77          HD11      LEU  77  14.856  22.888  -0.851
  630   HD12  LEU  77          HD12      LEU  77  16.101  22.113  -1.856
  631   HD13  LEU  77          HD13      LEU  77  15.191  23.509  -2.474
  632   HD21  LEU  77          HD21      LEU  77  13.607  20.880  -4.420
  633   HD22  LEU  77          HD22      LEU  77  14.628  22.312  -4.444
  634   HD23  LEU  77          HD23      LEU  77  15.325  20.751  -3.968
  635    H    TYR  78           H        TYR  78  11.010  19.641  -3.613
  636    HA   TYR  78           HA       TYR  78  12.293  17.601  -5.397
  637    HB2  TYR  78           HB2      TYR  78   9.986  17.259  -4.292
  638    HB3  TYR  78           HB3      TYR  78   9.387  18.422  -5.469
  639    HD1  TYR  78           HD1      TYR  78   9.786  17.869  -7.996
  640    HD2  TYR  78           HD2      TYR  78  10.273  14.996  -4.815
  641    HE1  TYR  78           HE1      TYR  78   9.533  16.010  -9.627
  642    HE2  TYR  78           HE2      TYR  78  10.056  13.141  -6.460
  643    HH   TYR  78           HH       TYR  78   9.708  12.577  -8.664
  644    H    ILE  79           H        ILE  79  12.692  18.068  -7.526
  645    HA   ILE  79           HA       ILE  79  12.114  20.755  -8.660
  646    HB   ILE  79           HB       ILE  79  14.740  20.748  -9.140
  647   HG12  ILE  79          HG12      ILE  79  14.763  19.538  -6.345
  648   HG13  ILE  79          HG13      ILE  79  15.169  18.650  -7.809
  649   HG21  ILE  79          HG21      ILE  79  13.424  22.566  -8.203
  650   HG22  ILE  79          HG22      ILE  79  13.511  21.827  -6.589
  651   HG23  ILE  79          HG23      ILE  79  14.978  22.430  -7.389
  652   HD11  ILE  79          HD11      ILE  79  17.209  19.382  -6.768
  653   HD12  ILE  79          HD12      ILE  79  17.001  20.304  -8.269
  654   HD13  ILE  79          HD13      ILE  79  16.653  21.063  -6.694
  655    H    ASP  80           H        ASP  80  11.276  20.248 -10.589
  656    HA   ASP  80           HA       ASP  80  11.084  19.481 -12.705
  657    HB2  ASP  80           HB2      ASP  80  12.962  21.089 -12.756
  658    HB3  ASP  80           HB3      ASP  80  14.105  19.749 -12.604
  659    H    GLY  81           H        GLY  81  10.846  17.328 -11.020
  660    HA2  GLY  81           HA2      GLY  81  10.500  15.024 -11.385
  661    HA3  GLY  81           HA3      GLY  81  11.578  15.078 -12.794
  662    H    GLU  82           H        GLU  82  13.386  16.570 -10.564
  663    HA   GLU  82           HA       GLU  82  14.615  14.096  -9.415
  664    HB2  GLU  82           HB2      GLU  82  15.852  16.840  -9.895
  665    HB3  GLU  82           HB3      GLU  82  16.666  15.445  -9.203
  666    HG2  GLU  82           HG2      GLU  82  15.629  15.682 -12.057
  667    HG3  GLU  82           HG3      GLU  82  17.303  15.776 -11.535
  668    H    PHE  83           H        PHE  83  15.853  14.802  -7.286
  669    HA   PHE  83           HA       PHE  83  14.380  16.690  -5.581
  670    HB2  PHE  83           HB2      PHE  83  13.569  15.111  -4.028
  671    HB3  PHE  83           HB3      PHE  83  13.025  14.537  -5.591
  672    HD1  PHE  83           HD1      PHE  83  14.198  12.556  -6.681
  673    HD2  PHE  83           HD2      PHE  83  15.084  13.837  -2.657
  674    HE1  PHE  83           HE1      PHE  83  15.360  10.405  -6.248
  675    HE2  PHE  83           HE2      PHE  83  16.238  11.684  -2.233
  676    HZ   PHE  83           HZ       PHE  83  16.408   9.981  -4.032
  677    H    PHE  84           H        PHE  84  15.104  16.880  -3.533
  678    HA   PHE  84           HA       PHE  84  17.956  16.287  -3.049
  679    HB2  PHE  84           HB2      PHE  84  17.474  18.558  -4.231
  680    HB3  PHE  84           HB3      PHE  84  16.727  19.054  -2.726
  681    HD1  PHE  84           HD2      PHE  84  19.885  17.593  -4.134
  682    HD2  PHE  84           HD1      PHE  84  18.131  20.044  -1.043
  683    HE1  PHE  84           HE2      PHE  84  22.147  18.124  -3.269
  684    HE2  PHE  84           HE1      PHE  84  20.396  20.563  -0.181
  685    HZ   PHE  84           HZ       PHE  84  22.408  19.595  -1.289
  686    H    GLY  85           H        GLY  85  18.397  17.378  -0.865
  687    HA2  GLY  85           HA2      GLY  85  17.088  15.588   1.019
  688    HA3  GLY  85           HA3      GLY  85  18.498  16.610   1.347
  689    H    GLY  86           H        GLY  86  17.382  16.628   3.421
  690    HA2  GLY  86           HA2      GLY  86  14.941  18.096   3.869
  691    HA3  GLY  86           HA3      GLY  86  16.128  17.611   5.094
  692    H    CYS  87           H        CYS  87  15.096  19.843   5.740
  693    HA   CYS  87           HA       CYS  87  15.827  22.139   4.259
  694    HB2  CYS  87           HB2      CYS  87  14.880  21.816   7.148
  695    HB3  CYS  87           HB3      CYS  87  15.028  23.381   6.315
  696    HG   CYS  87           HG       CYS  87  12.479  22.435   6.385
  697    H    ASP  88           H        ASP  88  17.387  20.860   7.246
  698    HA   ASP  88           HA       ASP  88  19.372  22.902   7.455
  699    HB2  ASP  88           HB2      ASP  88  20.494  21.461   8.957
  700    HB3  ASP  88           HB3      ASP  88  18.768  21.288   9.244
  701    H    ILE  89           H        ILE  89  19.444  19.774   5.755
  702    HA   ILE  89           HA       ILE  89  22.022  20.030   4.519
  703    HB   ILE  89           HB       ILE  89  19.496  18.610   3.563
  704   HG12  ILE  89          HG12      ILE  89  21.994  17.518   4.939
  705   HG13  ILE  89          HG13      ILE  89  20.481  17.863   5.767
  706   HG21  ILE  89          HG21      ILE  89  22.355  18.328   2.530
  707   HG22  ILE  89          HG22      ILE  89  20.982  17.305   2.059
  708   HG23  ILE  89          HG23      ILE  89  20.978  19.000   1.633
  709   HD11  ILE  89          HD11      ILE  89  20.896  15.732   3.647
  710   HD12  ILE  89          HD12      ILE  89  20.560  15.518   5.369
  711   HD13  ILE  89          HD13      ILE  89  19.310  16.200   4.315
  712    H    THR  90           H        THR  90  18.844  21.276   3.451
  713    HA   THR  90           HA       THR  90  19.764  22.440   0.981
  714    HB   THR  90           HB       THR  90  17.373  23.202   2.697
  715    HG1  THR  90           HG1      THR  90  17.294  21.065   2.018
  716   HG21  THR  90          HG21      THR  90  17.860  24.975   1.024
  717   HG22  THR  90          HG22      THR  90  17.986  23.724  -0.235
  718   HG23  THR  90          HG23      THR  90  16.437  24.028   0.556
  719    H    VAL  91           H        VAL  91  19.472  23.832   4.280
  720    HA   VAL  91           HA       VAL  91  20.475  26.415   3.570
  721    HB   VAL  91           HB       VAL  91  20.795  24.951   6.220
  722   HG11  VAL  91          HG11      VAL  91  21.257  27.893   5.556
  723   HG12  VAL  91          HG12      VAL  91  21.161  27.219   7.199
  724   HG13  VAL  91          HG13      VAL  91  22.479  26.730   6.134
  725   HG21  VAL  91          HG21      VAL  91  18.940  26.462   6.945
  726   HG22  VAL  91          HG22      VAL  91  18.792  27.050   5.276
  727   HG23  VAL  91          HG23      VAL  91  18.453  25.354   5.668
  728    H    GLU  92           H        GLU  92  22.322  23.444   4.515
  729    HA   GLU  92           HA       GLU  92  24.912  24.703   4.262
  730    HB2  GLU  92           HB2      GLU  92  24.062  21.782   4.170
  731    HB3  GLU  92           HB3      GLU  92  25.741  22.340   4.120
  732    HG2  GLU  92           HG2      GLU  92  25.392  23.523   6.299
  733    HG3  GLU  92           HG3      GLU  92  23.779  22.823   6.398
  734    H    ALA  93           H        ALA  93  22.866  22.936   1.901
  735    HA   ALA  93           HA       ALA  93  24.781  22.889  -0.218
  736    HB1  ALA  93           HB1      ALA  93  22.761  21.472  -0.043
  737    HB2  ALA  93           HB2      ALA  93  21.723  22.888  -0.286
  738    HB3  ALA  93           HB3      ALA  93  22.799  22.338  -1.592
  739    H    TYR  94           H        TYR  94  22.337  25.355   0.666
  740    HA   TYR  94           HA       TYR  94  22.867  27.163  -1.519
  741    HB2  TYR  94           HB2      TYR  94  20.868  27.237  -0.068
  742    HB3  TYR  94           HB3      TYR  94  21.861  27.626   1.319
  743    HD1  TYR  94           HD2      TYR  94  21.096  28.896  -2.150
  744    HD2  TYR  94           HD1      TYR  94  22.106  29.886   1.931
  745    HE1  TYR  94           HE2      TYR  94  20.789  31.308  -2.658
  746    HE2  TYR  94           HE1      TYR  94  21.804  32.298   1.419
  747    HH   TYR  94           HH       TYR  94  20.833  33.446  -1.836
  748    H    LYS  95           H        LYS  95  24.308  26.887   1.746
  749    HA   LYS  95           HA       LYS  95  26.190  29.075   1.418
  750    HB2  LYS  95           HB2      LYS  95  26.046  26.667   3.279
  751    HB3  LYS  95           HB3      LYS  95  27.324  27.880   3.378
  752    HG2  LYS  95           HG2      LYS  95  25.731  29.655   3.816
  753    HG3  LYS  95           HG3      LYS  95  24.356  28.563   3.583
  754    HD2  LYS  95           HD2      LYS  95  25.100  27.187   5.498
  755    HD3  LYS  95           HD3      LYS  95  26.478  28.260   5.763
  756    HE2  LYS  95           HE2      LYS  95  23.548  29.141   5.881
  757    HE3  LYS  95           HE3      LYS  95  24.489  28.635   7.286
  758    HZ1  LYS  95           HZ1      LYS  95  25.136  30.975   5.572
  759    HZ2  LYS  95           HZ2      LYS  95  24.509  31.028   7.077
  760    HZ3  LYS  95           HZ3      LYS  95  26.028  30.472   6.851
  761    H    SER  96           H        SER  96  26.335  25.636   0.563
  762    HA   SER  96           HA       SER  96  29.169  25.752  -0.229
  763    HB2  SER  96           HB2      SER  96  27.081  23.594  -0.709
  764    HB3  SER  96           HB3      SER  96  28.838  23.424  -0.841
  765    HG   SER  96           HG       SER  96  27.250  23.856   1.482
  766    H    GLY  97           H        GLY  97  26.215  26.576  -1.835
  767    HA2  GLY  97           HA2      GLY  97  26.017  27.592  -3.936
  768    HA3  GLY  97           HA3      GLY  97  27.621  26.978  -4.404
  769    H    GLU  98           H        GLU  98  25.949  24.421  -3.114
  770    HA   GLU  98           HA       GLU  98  25.694  23.105  -5.699
  771    HB2  GLU  98           HB2      GLU  98  24.828  22.151  -2.935
  772    HB3  GLU  98           HB3      GLU  98  25.007  21.160  -4.383
  773    HG2  GLU  98           HG2      GLU  98  27.463  21.822  -4.422
  774    HG3  GLU  98           HG3      GLU  98  27.217  22.598  -2.851
  775    H    LEU  99           H        LEU  99  23.397  24.373  -3.257
  776    HA   LEU  99           HA       LEU  99  21.019  23.462  -4.561
  777    HB2  LEU  99           HB2      LEU  99  21.202  24.317  -2.179
  778    HB3  LEU  99           HB3      LEU  99  21.410  25.949  -2.818
  779    HG   LEU  99           HG       LEU  99  19.123  25.733  -3.914
  780   HD11  LEU  99          HD11      LEU  99  18.888  23.294  -4.024
  781   HD12  LEU  99          HD12      LEU  99  19.013  23.165  -2.258
  782   HD13  LEU  99          HD13      LEU  99  17.609  23.960  -3.013
  783   HD21  LEU  99          HD21      LEU  99  17.902  25.984  -1.720
  784   HD22  LEU  99          HD22      LEU  99  19.403  25.498  -0.900
  785   HD23  LEU  99          HD23      LEU  99  19.354  26.975  -1.883
  786    H    GLN 100           H        GLN 100  22.827  26.533  -4.834
  787    HA   GLN 100           HA       GLN 100  21.155  27.866  -6.709
  788    HB2  GLN 100           HB2      GLN 100  22.930  28.982  -5.496
  789    HB3  GLN 100           HB3      GLN 100  24.163  27.952  -6.225
  790    HG2  GLN 100           HG2      GLN 100  23.828  28.967  -8.407
  791    HG3  GLN 100           HG3      GLN 100  22.417  29.862  -7.837
  792   HE21  GLN 100          HE22      GLN 100  25.895  29.426  -6.771
  793   HE22  GLN 100          HE21      GLN 100  26.131  31.143  -6.495
  794    H    GLU 101           H        GLU 101  23.940  25.643  -7.374
  795    HA   GLU 101           HA       GLU 101  23.694  25.729 -10.188
  796    HB2  GLU 101           HB2      GLU 101  25.636  24.866  -8.922
  797    HB3  GLU 101           HB3      GLU 101  24.703  23.443  -8.440
  798    HG2  GLU 101           HG2      GLU 101  24.501  22.739 -10.785
  799    HG3  GLU 101           HG3      GLU 101  25.279  24.232 -11.331
  800    H    GLN 102           H        GLN 102  22.218  23.344  -7.872
  801    HA   GLN 102           HA       GLN 102  20.859  21.887  -9.939
  802    HB2  GLN 102           HB2      GLN 102  20.338  22.103  -6.942
  803    HB3  GLN 102           HB3      GLN 102  19.492  20.988  -8.018
  804    HG2  GLN 102           HG2      GLN 102  22.524  20.976  -7.644
  805    HG3  GLN 102           HG3      GLN 102  21.404  19.965  -6.737
  806   HE21  GLN 102          HE22      GLN 102  20.230  18.229  -7.900
  807   HE22  GLN 102          HE21      GLN 102  20.820  17.701  -9.465
  808    H    VAL 103           H        VAL 103  19.703  24.560  -7.824
  809    HA   VAL 103           HA       VAL 103  16.993  24.460  -8.798
  810    HB   VAL 103           HB       VAL 103  18.569  26.594  -7.355
  811   HG11  VAL 103          HG11      VAL 103  16.324  27.657  -6.849
  812   HG12  VAL 103          HG12      VAL 103  16.886  27.860  -8.512
  813   HG13  VAL 103          HG13      VAL 103  15.632  26.656  -8.143
  814   HG21  VAL 103          HG21      VAL 103  17.953  24.443  -6.125
  815   HG22  VAL 103          HG22      VAL 103  17.237  25.898  -5.428
  816   HG23  VAL 103          HG23      VAL 103  16.249  24.817  -6.431
  817    H    GLU 104           H        GLU 104  19.864  26.434  -9.857
  818    HA   GLU 104           HA       GLU 104  18.449  27.919 -11.827
  819    HB2  GLU 104           HB2      GLU 104  20.730  28.442 -11.043
  820    HB3  GLU 104           HB3      GLU 104  21.350  26.983 -11.838
  821    HG2  GLU 104           HG2      GLU 104  20.671  27.887 -14.038
  822    HG3  GLU 104           HG3      GLU 104  19.948  29.295 -13.259
  823    H    LYS 105           H        LYS 105  20.150  24.730 -12.057
  824    HA   LYS 105           HA       LYS 105  19.509  24.206 -14.783
  825    HB2  LYS 105           HB2      LYS 105  21.200  23.009 -13.423
  826    HB3  LYS 105           HB3      LYS 105  19.910  22.250 -12.474
  827    HG2  LYS 105           HG2      LYS 105  19.062  21.113 -14.493
  828    HG3  LYS 105           HG3      LYS 105  20.290  21.930 -15.484
  829    HD2  LYS 105           HD2      LYS 105  22.085  20.811 -14.180
  830    HD3  LYS 105           HD3      LYS 105  20.854  19.995 -13.190
  831    HE2  LYS 105           HE2      LYS 105  19.946  18.882 -15.215
  832    HE3  LYS 105           HE3      LYS 105  21.142  19.718 -16.222
  833    HZ1  LYS 105           HZ1      LYS 105  22.895  18.543 -15.018
  834    HZ2  LYS 105           HZ2      LYS 105  21.799  17.775 -14.073
  835    HZ3  LYS 105           HZ3      LYS 105  21.860  17.469 -15.680
  836    H    ALA 106           H        ALA 106  17.650  23.360 -11.812
  837    HA   ALA 106           HA       ALA 106  15.470  22.098 -13.147
  838    HB1  ALA 106           HB1      ALA 106  15.523  23.599 -10.483
  839    HB2  ALA 106           HB2      ALA 106  14.315  22.405 -10.999
  840    HB3  ALA 106           HB3      ALA 106  16.000  21.903 -10.733
  841    H    MET 107           H        MET 107  15.973  25.561 -12.372
  842    HA   MET 107           HA       MET 107  13.354  26.427 -13.227
  843    HB2  MET 107           HB2      MET 107  15.981  27.861 -12.721
  844    HB3  MET 107           HB3      MET 107  14.548  28.700 -13.323
  845    HG2  MET 107           HG2      MET 107  13.243  28.061 -11.378
  846    HG3  MET 107           HG3      MET 107  14.542  27.029 -10.787
  847    HE1  MET 107           HE1      MET 107  15.019  30.707 -12.309
  848    HE2  MET 107           HE2      MET 107  13.430  30.737 -11.505
  849    HE3  MET 107           HE3      MET 107  14.790  31.667 -10.846
  850    H    CYS 108           H        CYS 108  16.514  26.289 -14.961
  851    HA   CYS 108           HA       CYS 108  15.451  27.192 -17.500
  852    HB2  CYS 108           HB2      CYS 108  17.844  25.438 -16.757
  853    HB3  CYS 108           HB3      CYS 108  17.518  26.037 -18.389
  854    HG   CYS 108           HG       CYS 108  17.491  28.597 -17.784
  855    H    SER 109           H        SER 109  15.623  24.032 -15.963
  856    HA   SER 109           HA       SER 109  14.489  22.106 -16.176
  857    HB2  SER 109           HB2      SER 109  12.568  23.517 -18.061
  858    HB3  SER 109           HB3      SER 109  12.282  22.043 -17.123
  859    HG   SER 109           HG       SER 109  12.960  23.629 -15.279
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  -1.184   0.689   2.030
    2    H2   MET   1           H2       MET   1  -2.383   0.512   0.930
    3    H3   MET   1           H3       MET   1  -1.408  -0.755   1.311
    4    HA   MET   1           HA       MET   1   0.516   0.362   0.402
    5    HB2  MET   1           HB2      MET   1   0.063   0.088  -1.950
    6    HB3  MET   1           HB3      MET   1  -0.724  -1.197  -1.052
    7    HG2  MET   1           HG2      MET   1  -2.906  -0.051  -1.299
    8    HG3  MET   1           HG3      MET   1  -2.119   1.284  -2.146
    9    HE1  MET   1           HE1      MET   1  -4.676  -0.246  -3.247
   10    HE2  MET   1           HE2      MET   1  -3.879   1.105  -4.089
   11    HE3  MET   1           HE3      MET   1  -4.239  -0.398  -4.965
   12    H    ALA   2           H        ALA   2   1.251   2.045  -1.232
   13    HA   ALA   2           HA       ALA   2  -0.311   4.524  -1.396
   14    HB1  ALA   2           HB1      ALA   2   2.402   4.447   0.015
   15    HB2  ALA   2           HB2      ALA   2   1.468   5.907  -0.366
   16    HB3  ALA   2           HB3      ALA   2   0.832   4.734   0.799
   17    H    LEU   3           H        LEU   3   0.820   6.141  -2.733
   18    HA   LEU   3           HA       LEU   3   1.767   6.909  -4.603
   19    HB2  LEU   3           HB2      LEU   3   3.849   6.047  -3.403
   20    HB3  LEU   3           HB3      LEU   3   3.777   4.631  -4.446
   21    HG   LEU   3           HG       LEU   3   4.037   6.107  -6.444
   22   HD11  LEU   3          HD11      LEU   3   4.325   8.319  -4.354
   23   HD12  LEU   3          HD12      LEU   3   4.840   8.464  -6.042
   24   HD13  LEU   3          HD13      LEU   3   3.136   8.234  -5.675
   25   HD21  LEU   3          HD21      LEU   3   6.398   6.605  -6.104
   26   HD22  LEU   3          HD22      LEU   3   6.192   6.520  -4.346
   27   HD23  LEU   3          HD23      LEU   3   5.995   5.054  -5.336
   28    H    THR   4           H        THR   4   0.774   3.578  -4.710
   29    HA   THR   4           HA       THR   4   0.675   3.184  -7.524
   30    HB   THR   4           HB       THR   4  -1.101   1.467  -6.917
   31    HG1  THR   4           HG1      THR   4  -1.319   1.111  -4.699
   32   HG21  THR   4          HG21      THR   4   0.500  -0.014  -5.802
   33   HG22  THR   4          HG22      THR   4   1.320   0.924  -7.059
   34   HG23  THR   4          HG23      THR   4   1.520   1.372  -5.354
   35    HA   PRO   5           HA       PRO   5  -3.677   4.991  -7.824
   36    HB2  PRO   5           HB2      PRO   5  -4.741   6.744  -6.064
   37    HB3  PRO   5           HB3      PRO   5  -4.670   4.995  -5.718
   38    HG2  PRO   5           HG2      PRO   5  -2.717   7.133  -4.807
   39    HG3  PRO   5           HG3      PRO   5  -3.564   5.912  -3.803
   40    HD2  PRO   5           HD2      PRO   5  -1.045   5.556  -4.755
   41    HD3  PRO   5           HD3      PRO   5  -2.176   4.190  -4.557
   42    H    ALA   6           H        ALA   6  -4.592   7.540  -7.993
   43    HA   ALA   6           HA       ALA   6  -2.851   8.841  -9.802
   44    HB1  ALA   6           HB1      ALA   6  -4.621  10.559  -9.842
   45    HB2  ALA   6           HB2      ALA   6  -5.324   8.932  -9.854
   46    HB3  ALA   6           HB3      ALA   6  -5.324   9.890  -8.353
   47    H    LEU   7           H        LEU   7  -2.453   8.885  -6.492
   48    HA   LEU   7           HA       LEU   7  -1.576  11.477  -5.810
   49    HB2  LEU   7           HB2      LEU   7  -1.850   9.560  -4.287
   50    HB3  LEU   7           HB3      LEU   7  -0.493   8.723  -5.014
   51    HG   LEU   7           HG       LEU   7  -0.149   9.801  -2.769
   52   HD11  LEU   7          HD11      LEU   7   1.829  10.658  -4.907
   53   HD12  LEU   7          HD12      LEU   7   2.122  10.569  -3.163
   54   HD13  LEU   7          HD13      LEU   7   1.759   9.099  -4.063
   55   HD21  LEU   7          HD21      LEU   7   0.266  12.148  -2.539
   56   HD22  LEU   7          HD22      LEU   7   0.007  12.436  -4.271
   57   HD23  LEU   7          HD23      LEU   7  -1.351  11.930  -3.239
   58    H    LYS   8           H        LYS   8   0.382   8.837  -7.376
   59    HA   LYS   8           HA       LYS   8   2.729  10.432  -7.625
   60    HB2  LYS   8           HB2      LYS   8   2.464   7.894  -7.860
   61    HB3  LYS   8           HB3      LYS   8   1.904   8.175  -9.512
   62    HG2  LYS   8           HG2      LYS   8   4.068   9.384  -9.978
   63    HG3  LYS   8           HG3      LYS   8   4.575   9.050  -8.314
   64    HD2  LYS   8           HD2      LYS   8   4.458   6.609  -8.773
   65    HD3  LYS   8           HD3      LYS   8   3.927   6.950 -10.433
   66    HE2  LYS   8           HE2      LYS   8   6.058   8.214 -10.831
   67    HE3  LYS   8           HE3      LYS   8   6.593   7.803  -9.194
   68    HZ1  LYS   8           HZ1      LYS   8   6.010   5.840 -11.352
   69    HZ2  LYS   8           HZ2      LYS   8   7.501   6.272 -10.844
   70    HZ3  LYS   8           HZ3      LYS   8   6.510   5.447  -9.838
   71    H    THR   9           H        THR   9   0.069   9.928 -10.008
   72    HA   THR   9           HA       THR   9   0.959  11.538 -12.105
   73    HB   THR   9           HB       THR   9  -1.902  11.321 -11.272
   74    HG1  THR   9           HG1      THR   9  -1.786   9.249 -12.402
   75   HG21  THR   9          HG21      THR   9  -1.333  12.546 -13.354
   76   HG22  THR   9          HG22      THR   9  -0.465  11.101 -13.940
   77   HG23  THR   9          HG23      THR   9  -2.233  11.053 -13.701
   78    H    THR  10           H        THR  10  -0.814  12.436  -9.163
   79    HA   THR  10           HA       THR  10  -1.213  15.220  -9.822
   80    HB   THR  10           HB       THR  10  -1.127  13.898  -7.073
   81    HG1  THR  10           HG1      THR  10  -2.646  12.904  -8.389
   82   HG21  THR  10          HG21      THR  10  -2.422  16.475  -8.079
   83   HG22  THR  10          HG22      THR  10  -2.674  15.752  -6.472
   84   HG23  THR  10          HG23      THR  10  -1.072  16.351  -6.928
   85    H    LEU  11           H        LEU  11   1.222  13.574  -7.734
   86    HA   LEU  11           HA       LEU  11   2.802  15.863  -7.155
   87    HB2  LEU  11           HB2      LEU  11   3.626  12.945  -7.530
   88    HB3  LEU  11           HB3      LEU  11   4.677  14.205  -6.897
   89    HG   LEU  11           HG       LEU  11   2.125  13.227  -5.562
   90   HD11  LEU  11          HD11      LEU  11   5.073  12.833  -4.917
   91   HD12  LEU  11          HD12      LEU  11   3.720  12.271  -3.913
   92   HD13  LEU  11          HD13      LEU  11   3.972  11.585  -5.532
   93   HD21  LEU  11          HD21      LEU  11   2.914  14.564  -3.615
   94   HD22  LEU  11          HD22      LEU  11   4.187  15.270  -4.640
   95   HD23  LEU  11          HD23      LEU  11   2.470  15.578  -4.989
   96    H    ASP  12           H        ASP  12   3.237  13.548  -9.895
   97    HA   ASP  12           HA       ASP  12   5.374  14.879 -11.145
   98    HB2  ASP  12           HB2      ASP  12   4.590  12.623 -11.718
   99    HB3  ASP  12           HB3      ASP  12   3.096  13.286 -12.381
  100    H    LYS  13           H        LYS  13   1.835  15.345 -11.812
  101    HA   LYS  13           HA       LYS  13   2.138  17.470 -13.668
  102    HB2  LYS  13           HB2      LYS  13   0.098  16.114 -13.274
  103    HB3  LYS  13           HB3      LYS  13  -0.140  16.904 -11.709
  104    HG2  LYS  13           HG2      LYS  13  -0.359  19.106 -12.874
  105    HG3  LYS  13           HG3      LYS  13  -0.156  18.298 -14.429
  106    HD2  LYS  13           HD2      LYS  13  -2.393  17.813 -12.406
  107    HD3  LYS  13           HD3      LYS  13  -2.545  18.786 -13.859
  108    HE2  LYS  13           HE2      LYS  13  -1.955  15.786 -13.815
  109    HE3  LYS  13           HE3      LYS  13  -3.547  16.501 -14.040
  110    HZ1  LYS  13           HZ1      LYS  13  -2.570  15.957 -16.167
  111    HZ2  LYS  13           HZ2      LYS  13  -2.732  17.578 -16.063
  112    HZ3  LYS  13           HZ3      LYS  13  -1.254  16.886 -15.893
  113    H    VAL  14           H        VAL  14   1.792  17.646 -10.095
  114    HA   VAL  14           HA       VAL  14   1.954  20.494  -9.952
  115    HB   VAL  14           HB       VAL  14   2.479  18.370  -7.938
  116   HG11  VAL  14          HG11      VAL  14   2.431  20.168  -6.176
  117   HG12  VAL  14          HG12      VAL  14   3.890  20.167  -7.162
  118   HG13  VAL  14          HG13      VAL  14   2.621  21.372  -7.470
  119   HG21  VAL  14          HG21      VAL  14   0.116  18.789  -8.685
  120   HG22  VAL  14          HG22      VAL  14   0.367  19.159  -6.971
  121   HG23  VAL  14          HG23      VAL  14   0.281  20.474  -8.161
  122    H    VAL  15           H        VAL  15   4.538  18.006  -9.763
  123    HA   VAL  15           HA       VAL  15   6.726  19.707  -9.315
  124    HB   VAL  15           HB       VAL  15   6.390  16.989 -10.448
  125   HG11  VAL  15          HG11      VAL  15   8.326  17.788 -11.742
  126   HG12  VAL  15          HG12      VAL  15   9.103  18.334 -10.236
  127   HG13  VAL  15          HG13      VAL  15   8.799  16.605 -10.538
  128   HG21  VAL  15          HG21      VAL  15   6.250  17.427  -7.975
  129   HG22  VAL  15          HG22      VAL  15   7.575  16.339  -8.405
  130   HG23  VAL  15          HG23      VAL  15   7.912  18.042  -8.035
  131    H    THR  16           H        THR  16   5.343  18.687 -12.517
  132    HA   THR  16           HA       THR  16   7.397  20.128 -13.992
  133    HB   THR  16           HB       THR  16   5.927  19.663 -15.962
  134    HG1  THR  16           HG1      THR  16   4.131  18.326 -15.560
  135   HG21  THR  16          HG21      THR  16   6.222  17.224 -15.923
  136   HG22  THR  16          HG22      THR  16   7.640  18.028 -15.237
  137   HG23  THR  16          HG23      THR  16   6.462  17.248 -14.165
  138    H    SER  17           H        SER  17   3.985  20.852 -13.238
  139    HA   SER  17           HA       SER  17   4.032  23.329 -14.710
  140    HB2  SER  17           HB2      SER  17   1.833  23.756 -13.709
  141    HB3  SER  17           HB3      SER  17   1.964  22.135 -14.399
  142    HG   SER  17           HG       SER  17   2.031  21.254 -12.391
  143    H    HIS  18           H        HIS  18   4.517  22.754 -11.191
  144    HA   HIS  18           HA       HIS  18   4.945  25.674 -10.789
  145    HB2  HIS  18           HB2      HIS  18   4.878  23.342  -8.832
  146    HB3  HIS  18           HB3      HIS  18   5.124  25.026  -8.402
  147    HD1  HIS  18           HD1      HIS  18   2.956  26.550  -8.221
  148    HD2  HIS  18           HD2      HIS  18   2.331  22.682  -9.737
  149    HE1  HIS  18           HE1      HIS  18   0.443  26.222  -8.313
  150    H    LYS  19           H        LYS  19   6.891  22.953 -11.505
  151    HA   LYS  19           HA       LYS  19   9.088  22.603 -11.814
  152    HB2  LYS  19           HB2      LYS  19   9.377  25.623 -11.519
  153    HB3  LYS  19           HB3      LYS  19  10.571  24.503 -12.189
  154    HG2  LYS  19           HG2      LYS  19   8.897  23.808 -13.928
  155    HG3  LYS  19           HG3      LYS  19   7.795  25.072 -13.331
  156    HD2  LYS  19           HD2      LYS  19   9.556  26.784 -13.773
  157    HD3  LYS  19           HD3      LYS  19  10.593  25.526 -14.454
  158    HE2  LYS  19           HE2      LYS  19   7.831  26.337 -15.503
  159    HE3  LYS  19           HE3      LYS  19   9.381  26.860 -16.177
  160    HZ1  LYS  19           HZ1      LYS  19   8.559  25.019 -17.445
  161    HZ2  LYS  19           HZ2      LYS  19   9.884  24.495 -16.623
  162    HZ3  LYS  19           HZ3      LYS  19   8.376  24.069 -16.128
  163    H    VAL  20           H        VAL  20   8.757  24.816  -9.066
  164    HA   VAL  20           HA       VAL  20  10.838  23.244  -7.549
  165    HB   VAL  20           HB       VAL  20  10.091  26.174  -7.195
  166   HG11  VAL  20          HG11      VAL  20  12.316  24.501  -5.938
  167   HG12  VAL  20          HG12      VAL  20  12.082  26.242  -5.709
  168   HG13  VAL  20          HG13      VAL  20  10.871  25.107  -5.101
  169   HG21  VAL  20          HG21      VAL  20  12.596  25.024  -8.494
  170   HG22  VAL  20          HG22      VAL  20  11.329  25.971  -9.298
  171   HG23  VAL  20          HG23      VAL  20  12.339  26.726  -8.067
  172    H    VAL  21           H        VAL  21   9.963  22.107  -5.858
  173    HA   VAL  21           HA       VAL  21   7.427  23.109  -4.648
  174    HB   VAL  21           HB       VAL  21   6.267  21.084  -4.839
  175   HG11  VAL  21          HG11      VAL  21   6.010  20.731  -7.237
  176   HG12  VAL  21          HG12      VAL  21   6.246  22.459  -6.923
  177   HG13  VAL  21          HG13      VAL  21   7.571  21.473  -7.572
  178   HG21  VAL  21          HG21      VAL  21   7.108  19.032  -5.908
  179   HG22  VAL  21          HG22      VAL  21   8.718  19.765  -6.062
  180   HG23  VAL  21          HG23      VAL  21   8.017  19.429  -4.456
  181    H    LEU  22           H        LEU  22   6.886  22.216  -2.604
  182    HA   LEU  22           HA       LEU  22   9.241  21.205  -1.047
  183    HB2  LEU  22           HB2      LEU  22   7.962  23.826  -0.971
  184    HB3  LEU  22           HB3      LEU  22   7.543  22.997   0.506
  185    HG   LEU  22           HG       LEU  22   9.492  24.394   0.787
  186   HD11  LEU  22          HD11      LEU  22  10.923  22.822   1.932
  187   HD12  LEU  22          HD12      LEU  22   9.252  22.281   2.111
  188   HD13  LEU  22          HD13      LEU  22  10.328  21.472   0.956
  189   HD21  LEU  22          HD21      LEU  22  10.342  24.272  -1.546
  190   HD22  LEU  22          HD22      LEU  22  11.615  23.974  -0.356
  191   HD23  LEU  22          HD23      LEU  22  10.917  22.621  -1.250
  192    H    PHE  23           H        PHE  23   8.849  19.562   0.289
  193    HA   PHE  23           HA       PHE  23   6.002  18.899   0.966
  194    HB2  PHE  23           HB2      PHE  23   8.455  17.119   0.965
  195    HB3  PHE  23           HB3      PHE  23   6.795  16.627   1.288
  196    HD1  PHE  23           HD2      PHE  23   5.131  17.639  -0.753
  197    HD2  PHE  23           HD1      PHE  23   9.220  16.340  -1.134
  198    HE1  PHE  23           HE2      PHE  23   4.809  17.351  -3.196
  199    HE2  PHE  23           HE1      PHE  23   8.884  16.011  -3.567
  200    HZ   PHE  23           HZ       PHE  23   6.688  16.540  -4.614
  201    H    MET  24           H        MET  24   5.439  19.591   2.911
  202    HA   MET  24           HA       MET  24   7.177  19.449   5.275
  203    HB2  MET  24           HB2      MET  24   7.066  21.978   5.581
  204    HB3  MET  24           HB3      MET  24   8.147  21.406   4.324
  205    HG2  MET  24           HG2      MET  24   6.573  21.969   2.569
  206    HG3  MET  24           HG3      MET  24   5.338  22.435   3.734
  207    HE1  MET  24           HE1      MET  24   5.800  24.384   5.565
  208    HE2  MET  24           HE2      MET  24   6.166  25.935   4.768
  209    HE3  MET  24           HE3      MET  24   4.881  24.896   4.126
  210    H    LYS  25           H        LYS  25   5.979  20.687   7.142
  211    HA   LYS  25           HA       LYS  25   3.295  19.491   7.212
  212    HB2  LYS  25           HB2      LYS  25   4.850  20.911   9.416
  213    HB3  LYS  25           HB3      LYS  25   3.451  19.847   9.594
  214    HG2  LYS  25           HG2      LYS  25   4.900  17.996   8.527
  215    HG3  LYS  25           HG3      LYS  25   6.273  19.092   8.734
  216    HD2  LYS  25           HD2      LYS  25   5.761  19.227  11.183
  217    HD3  LYS  25           HD3      LYS  25   4.443  18.053  10.943
  218    HE2  LYS  25           HE2      LYS  25   6.096  16.407  10.056
  219    HE3  LYS  25           HE3      LYS  25   7.401  17.583  10.293
  220    HZ1  LYS  25           HZ1      LYS  25   7.280  16.019  12.141
  221    HZ2  LYS  25           HZ2      LYS  25   6.926  17.517  12.689
  222    HZ3  LYS  25           HZ3      LYS  25   5.730  16.423  12.466
  223    H    GLY  26           H        GLY  26   3.492  21.807   5.496
  224    HA2  GLY  26           HA2      GLY  26   1.226  23.395   6.363
  225    HA3  GLY  26           HA3      GLY  26   2.713  24.305   6.507
  226    H    THR  27           H        THR  27   0.956  25.366   4.863
  227    HA   THR  27           HA       THR  27   1.618  24.608   2.042
  228    HB   THR  27           HB       THR  27  -0.310  25.985   1.408
  229    HG1  THR  27           HG1      THR  27  -1.658  26.659   3.215
  230   HG21  THR  27          HG21      THR  27  -1.142  24.062   3.625
  231   HG22  THR  27          HG22      THR  27  -2.093  24.581   2.222
  232   HG23  THR  27          HG23      THR  27  -0.663  23.563   1.984
  233    H    LYS  28           H        LYS  28   1.599  26.706   0.590
  234    HA   LYS  28           HA       LYS  28   3.703  28.488   1.534
  235    HB2  LYS  28           HB2      LYS  28   3.500  29.555  -0.626
  236    HB3  LYS  28           HB3      LYS  28   3.506  27.807  -0.817
  237    HG2  LYS  28           HG2      LYS  28   0.994  27.868  -1.061
  238    HG3  LYS  28           HG3      LYS  28   1.063  29.637  -0.950
  239    HD2  LYS  28           HD2      LYS  28   2.500  29.718  -2.966
  240    HD3  LYS  28           HD3      LYS  28   2.474  27.943  -3.060
  241    HE2  LYS  28           HE2      LYS  28  -0.029  28.033  -3.260
  242    HE3  LYS  28           HE3      LYS  28   0.052  29.805  -3.274
  243    HZ1  LYS  28           HZ1      LYS  28   1.381  29.640  -5.313
  244    HZ2  LYS  28           HZ2      LYS  28   1.324  27.997  -5.261
  245    HZ3  LYS  28           HZ3      LYS  28  -0.048  28.864  -5.517
  246    H    ASP  29           H        ASP  29   0.232  28.618   1.710
  247    HA   ASP  29           HA       ASP  29   0.111  31.478   2.432
  248    HB2  ASP  29           HB2      ASP  29  -1.952  29.235   2.442
  249    HB3  ASP  29           HB3      ASP  29  -2.287  30.908   2.874
  250    H    PHE  30           H        PHE  30   0.222  28.334   4.061
  251    HA   PHE  30           HA       PHE  30   0.543  29.700   6.694
  252    HB2  PHE  30           HB2      PHE  30  -1.732  28.791   6.494
  253    HB3  PHE  30           HB3      PHE  30  -1.083  27.201   6.122
  254    HD1  PHE  30           HD2      PHE  30  -0.860  29.896   8.763
  255    HD2  PHE  30           HD1      PHE  30  -0.844  25.666   7.903
  256    HE1  PHE  30           HE2      PHE  30  -0.785  29.392  11.197
  257    HE2  PHE  30           HE1      PHE  30  -0.777  25.172  10.332
  258    HZ   PHE  30           HZ       PHE  30  -0.747  27.036  11.981
  259    HA   PRO  31           HA       PRO  31   4.131  26.865   5.926
  260    HB2  PRO  31           HB2      PRO  31   6.171  28.635   6.294
  261    HB3  PRO  31           HB3      PRO  31   5.265  28.539   4.750
  262    HG2  PRO  31           HG2      PRO  31   4.808  30.465   7.055
  263    HG3  PRO  31           HG3      PRO  31   4.997  30.854   5.313
  264    HD2  PRO  31           HD2      PRO  31   2.555  30.596   6.492
  265    HD3  PRO  31           HD3      PRO  31   2.844  30.064   4.808
  266    H    GLN  32           H        GLN  32   6.044  26.521   7.539
  267    HA   GLN  32           HA       GLN  32   5.047  26.897  10.339
  268    HB2  GLN  32           HB2      GLN  32   6.657  24.610   9.132
  269    HB3  GLN  32           HB3      GLN  32   6.273  24.777  10.840
  270    HG2  GLN  32           HG2      GLN  32   4.191  24.463   8.615
  271    HG3  GLN  32           HG3      GLN  32   4.811  23.173   9.619
  272   HE21  GLN  32          HE22      GLN  32   2.203  23.215   9.795
  273   HE22  GLN  32          HE21      GLN  32   1.646  24.044  11.248
  274    H    CYS  33           H        CYS  33   6.376  27.765  11.812
  275    HA   CYS  33           HA       CYS  33   8.570  29.336  10.974
  276    HB2  CYS  33           HB2      CYS  33   7.690  28.508  13.776
  277    HB3  CYS  33           HB3      CYS  33   8.820  29.819  13.405
  278    HG   CYS  33           HG       CYS  33   6.477  30.862  14.007
  279    H    GLY  34           H        GLY  34  10.765  29.303  11.457
  280    HA2  GLY  34           HA2      GLY  34  12.847  28.376  12.073
  281    HA3  GLY  34           HA3      GLY  34  12.058  26.855  12.530
  282    H    PHE  35           H        PHE  35  12.319  25.179  11.161
  283    HA   PHE  35           HA       PHE  35  14.171  25.315   9.067
  284    HB2  PHE  35           HB2      PHE  35  12.106  23.136   9.616
  285    HB3  PHE  35           HB3      PHE  35  13.578  22.944   8.684
  286    HD1  PHE  35           HD2      PHE  35  15.818  23.758  10.031
  287    HD2  PHE  35           HD1      PHE  35  12.149  22.381  11.831
  288    HE1  PHE  35           HE2      PHE  35  17.056  23.158  12.094
  289    HE2  PHE  35           HE1      PHE  35  13.390  21.780  13.893
  290    HZ   PHE  35           HZ       PHE  35  15.844  22.166  14.030
  291    H    SER  36           H        SER  36  10.636  24.616   8.628
  292    HA   SER  36           HA       SER  36  10.707  24.638   5.810
  293    HB2  SER  36           HB2      SER  36   8.337  25.431   7.533
  294    HB3  SER  36           HB3      SER  36   8.319  24.701   5.925
  295    HG   SER  36           HG       SER  36   7.983  23.210   7.752
  296    H    GLN  37           H        GLN  37   9.754  27.323   8.015
  297    HA   GLN  37           HA       GLN  37   9.408  29.442   6.234
  298    HB2  GLN  37           HB2      GLN  37   8.987  29.542   8.632
  299    HB3  GLN  37           HB3      GLN  37  10.701  29.295   8.980
  300    HG2  GLN  37           HG2      GLN  37  11.178  31.547   7.932
  301    HG3  GLN  37           HG3      GLN  37   9.443  31.744   7.679
  302   HE21  GLN  37          HE22      GLN  37   9.475  33.678   9.087
  303   HE22  GLN  37          HE21      GLN  37   9.615  33.469  10.828
  304    H    THR  38           H        THR  38  12.548  28.358   7.665
  305    HA   THR  38           HA       THR  38  14.208  30.197   6.269
  306    HB   THR  38           HB       THR  38  14.890  27.433   7.360
  307    HG1  THR  38           HG1      THR  38  14.203  28.754   8.956
  308   HG21  THR  38          HG21      THR  38  17.211  28.379   7.497
  309   HG22  THR  38          HG22      THR  38  16.658  28.112   5.839
  310   HG23  THR  38          HG23      THR  38  16.672  29.764   6.513
  311    H    VAL  39           H        VAL  39  13.394  26.801   5.441
  312    HA   VAL  39           HA       VAL  39  14.810  26.756   2.988
  313    HB   VAL  39           HB       VAL  39  12.365  25.175   3.843
  314   HG11  VAL  39          HG11      VAL  39  13.051  23.585   1.970
  315   HG12  VAL  39          HG12      VAL  39  12.291  25.094   1.443
  316   HG13  VAL  39          HG13      VAL  39  14.051  24.895   1.320
  317   HG21  VAL  39          HG21      VAL  39  14.013  23.371   4.155
  318   HG22  VAL  39          HG22      VAL  39  15.308  24.434   3.556
  319   HG23  VAL  39          HG23      VAL  39  14.503  24.784   5.091
  320    H    VAL  40           H        VAL  40  11.275  27.671   3.447
  321    HA   VAL  40           HA       VAL  40  11.030  28.201   0.633
  322    HB   VAL  40           HB       VAL  40   8.950  29.225   1.073
  323   HG11  VAL  40          HG11      VAL  40   9.258  26.706   2.739
  324   HG12  VAL  40          HG12      VAL  40   7.746  27.338   2.065
  325   HG13  VAL  40          HG13      VAL  40   9.037  26.795   0.977
  326   HG21  VAL  40          HG21      VAL  40   9.451  29.046   4.044
  327   HG22  VAL  40          HG22      VAL  40   9.284  30.533   3.084
  328   HG23  VAL  40          HG23      VAL  40   7.908  29.458   3.278
  329    H    GLN  41           H        GLN  41  11.921  30.345   3.392
  330    HA   GLN  41           HA       GLN  41  11.900  32.770   1.865
  331    HB2  GLN  41           HB2      GLN  41  11.911  32.716   4.325
  332    HB3  GLN  41           HB3      GLN  41  13.487  31.923   4.329
  333    HG2  GLN  41           HG2      GLN  41  13.725  34.282   4.878
  334    HG3  GLN  41           HG3      GLN  41  14.556  33.919   3.380
  335   HE21  GLN  41          HE22      GLN  41  14.416  36.401   3.267
  336   HE22  GLN  41          HE21      GLN  41  12.959  37.064   2.539
  337    H    ILE  42           H        ILE  42  14.474  30.295   2.365
  338    HA   ILE  42           HA       ILE  42  16.533  31.659   0.913
  339    HB   ILE  42           HB       ILE  42  15.978  28.752   1.545
  340   HG12  ILE  42          HG12      ILE  42  18.258  30.647   2.295
  341   HG13  ILE  42          HG13      ILE  42  16.810  30.426   3.270
  342   HG21  ILE  42          HG21      ILE  42  18.234  28.192   0.589
  343   HG22  ILE  42          HG22      ILE  42  17.064  28.635  -0.643
  344   HG23  ILE  42          HG23      ILE  42  18.291  29.815  -0.130
  345   HD11  ILE  42          HD11      ILE  42  18.517  29.093   4.237
  346   HD12  ILE  42          HD12      ILE  42  17.379  27.969   3.466
  347   HD13  ILE  42          HD13      ILE  42  18.945  28.342   2.699
  348    H    LEU  43           H        LEU  43  14.101  29.313  -0.402
  349    HA   LEU  43           HA       LEU  43  14.962  29.581  -3.128
  350    HB2  LEU  43           HB2      LEU  43  12.281  28.896  -1.828
  351    HB3  LEU  43           HB3      LEU  43  12.507  28.882  -3.571
  352    HG   LEU  43           HG       LEU  43  14.150  27.170  -1.650
  353   HD11  LEU  43          HD11      LEU  43  11.801  26.534  -1.544
  354   HD12  LEU  43          HD12      LEU  43  11.681  26.522  -3.314
  355   HD13  LEU  43          HD13      LEU  43  12.684  25.317  -2.480
  356   HD21  LEU  43          HD21      LEU  43  13.921  27.283  -4.691
  357   HD22  LEU  43          HD22      LEU  43  15.375  27.506  -3.701
  358   HD23  LEU  43          HD23      LEU  43  14.627  25.913  -3.823
  359    H    LYS  44           H        LYS  44  12.342  31.275  -1.398
  360    HA   LYS  44           HA       LYS  44  11.459  32.980  -3.421
  361    HB2  LYS  44           HB2      LYS  44  10.471  32.515  -1.194
  362    HB3  LYS  44           HB3      LYS  44  11.683  33.547  -0.430
  363    HG2  LYS  44           HG2      LYS  44  10.771  35.499  -1.666
  364    HG3  LYS  44           HG3      LYS  44   9.614  34.428  -2.493
  365    HD2  LYS  44           HD2      LYS  44   8.741  33.712  -0.244
  366    HD3  LYS  44           HD3      LYS  44   9.778  34.910   0.528
  367    HE2  LYS  44           HE2      LYS  44   7.575  35.510  -1.510
  368    HE3  LYS  44           HE3      LYS  44   7.376  35.591   0.239
  369    HZ1  LYS  44           HZ1      LYS  44   7.823  37.775  -0.649
  370    HZ2  LYS  44           HZ2      LYS  44   9.079  37.334   0.299
  371    HZ3  LYS  44           HZ3      LYS  44   9.228  37.302  -1.335
  372    H    SER  45           H        SER  45  13.878  33.836  -0.926
  373    HA   SER  45           HA       SER  45  14.657  36.312  -2.131
  374    HB2  SER  45           HB2      SER  45  16.372  36.415  -0.415
  375    HB3  SER  45           HB3      SER  45  14.801  35.956   0.255
  376    HG   SER  45           HG       SER  45  15.496  33.836   0.427
  377    H    LEU  46           H        LEU  46  16.065  33.037  -2.540
  378    HA   LEU  46           HA       LEU  46  18.437  33.755  -3.917
  379    HB2  LEU  46           HB2      LEU  46  18.000  31.482  -3.200
  380    HB3  LEU  46           HB3      LEU  46  16.493  31.426  -4.106
  381    HG   LEU  46           HG       LEU  46  17.729  31.434  -6.240
  382   HD11  LEU  46          HD11      LEU  46  20.235  31.082  -4.526
  383   HD12  LEU  46          HD12      LEU  46  20.120  31.073  -6.299
  384   HD13  LEU  46          HD13      LEU  46  19.833  32.571  -5.416
  385   HD21  LEU  46          HD21      LEU  46  18.477  29.113  -6.058
  386   HD22  LEU  46          HD22      LEU  46  18.548  29.245  -4.281
  387   HD23  LEU  46          HD23      LEU  46  16.990  29.348  -5.134
  388    H    ASN  47           H        ASN  47  15.107  33.620  -4.890
  389    HA   ASN  47           HA       ASN  47  14.140  35.335  -6.154
  390    HB2  ASN  47           HB2      ASN  47  16.272  36.354  -6.948
  391    HB3  ASN  47           HB3      ASN  47  16.354  35.117  -8.213
  392   HD21  ASN  47          HD22      ASN  47  16.352  37.052  -9.672
  393   HD22  ASN  47          HD21      ASN  47  14.800  37.760 -10.090
  394    H    ALA  48           H        ALA  48  13.158  33.084  -5.749
  395    HA   ALA  48           HA       ALA  48  12.441  31.904  -8.394
  396    HB1  ALA  48           HB1      ALA  48  14.477  30.721  -7.673
  397    HB2  ALA  48           HB2      ALA  48  13.685  30.268  -6.148
  398    HB3  ALA  48           HB3      ALA  48  13.076  29.638  -7.690
  399    HA   PRO  49           HA       PRO  49   8.461  31.044  -6.465
  400    HB2  PRO  49           HB2      PRO  49   8.351  28.639  -8.252
  401    HB3  PRO  49           HB3      PRO  49   7.173  29.975  -8.075
  402    HG2  PRO  49           HG2      PRO  49   8.802  29.789 -10.253
  403    HG3  PRO  49           HG3      PRO  49   8.446  31.381  -9.503
  404    HD2  PRO  49           HD2      PRO  49  10.882  29.624  -9.103
  405    HD3  PRO  49           HD3      PRO  49  10.781  31.382  -9.444
  406    H    PHE  50           H        PHE  50   7.322  29.258  -5.360
  407    HA   PHE  50           HA       PHE  50   8.604  26.723  -4.921
  408    HB2  PHE  50           HB2      PHE  50   8.949  26.799  -2.576
  409    HB3  PHE  50           HB3      PHE  50   9.780  28.197  -3.228
  410    HD1  PHE  50           HD2      PHE  50   8.842  30.505  -2.888
  411    HD2  PHE  50           HD1      PHE  50   7.080  27.019  -1.064
  412    HE1  PHE  50           HE2      PHE  50   7.584  31.956  -1.316
  413    HE2  PHE  50           HE1      PHE  50   5.848  28.468   0.521
  414    HZ   PHE  50           HZ       PHE  50   6.084  30.944   0.392
  415    H    GLU  51           H        GLU  51   7.052  25.166  -4.459
  416    HA   GLU  51           HA       GLU  51   4.290  26.105  -3.768
  417    HB2  GLU  51           HB2      GLU  51   4.591  25.373  -6.142
  418    HB3  GLU  51           HB3      GLU  51   5.045  23.775  -5.561
  419    HG2  GLU  51           HG2      GLU  51   2.701  23.788  -6.219
  420    HG3  GLU  51           HG3      GLU  51   2.834  23.516  -4.485
  421    H    SER  52           H        SER  52   4.497  25.777  -1.546
  422    HA   SER  52           HA       SER  52   5.491  23.259  -0.494
  423    HB2  SER  52           HB2      SER  52   4.055  25.542   0.866
  424    HB3  SER  52           HB3      SER  52   4.781  24.141   1.679
  425    HG   SER  52           HG       SER  52   6.329  25.715   1.668
  426    H    VAL  53           H        VAL  53   4.426  21.429  -0.573
  427    HA   VAL  53           HA       VAL  53   1.451  21.295  -0.434
  428    HB   VAL  53           HB       VAL  53   3.555  19.162  -0.967
  429   HG11  VAL  53          HG11      VAL  53   1.580  18.141   0.062
  430   HG12  VAL  53          HG12      VAL  53   0.510  18.990  -1.082
  431   HG13  VAL  53          HG13      VAL  53   1.630  17.735  -1.655
  432   HG21  VAL  53          HG21      VAL  53   3.395  20.720  -2.862
  433   HG22  VAL  53          HG22      VAL  53   2.670  19.167  -3.290
  434   HG23  VAL  53          HG23      VAL  53   1.622  20.540  -2.877
  435    H    ASN  54           H        ASN  54   0.496  20.893   1.477
  436    HA   ASN  54           HA       ASN  54   2.072  20.453   3.866
  437    HB2  ASN  54           HB2      ASN  54   0.129  21.942   3.863
  438    HB3  ASN  54           HB3      ASN  54  -0.935  20.586   3.486
  439   HD21  ASN  54          HD22      ASN  54  -1.907  21.585   5.612
  440   HD22  ASN  54          HD21      ASN  54  -1.316  20.854   7.096
  441    H    ILE  55           H        ILE  55   2.925  18.464   4.206
  442    HA   ILE  55           HA       ILE  55   1.706  15.993   3.294
  443    HB   ILE  55           HB       ILE  55   3.445  14.851   4.563
  444   HG12  ILE  55          HG12      ILE  55   5.018  17.209   5.367
  445   HG13  ILE  55          HG13      ILE  55   3.523  17.090   6.288
  446   HG21  ILE  55          HG21      ILE  55   4.529  17.247   3.024
  447   HG22  ILE  55          HG22      ILE  55   5.328  15.680   3.275
  448   HG23  ILE  55          HG23      ILE  55   3.847  15.782   2.304
  449   HD11  ILE  55          HD11      ILE  55   5.418  15.903   7.367
  450   HD12  ILE  55          HD12      ILE  55   4.076  14.808   6.982
  451   HD13  ILE  55          HD13      ILE  55   5.529  14.829   5.958
  452    H    LEU  56           H        LEU  56   1.130  17.756   6.259
  453    HA   LEU  56           HA       LEU  56  -0.040  15.451   7.645
  454    HB2  LEU  56           HB2      LEU  56   0.332  18.384   8.187
  455    HB3  LEU  56           HB3      LEU  56  -1.005  17.576   8.996
  456    HG   LEU  56           HG       LEU  56   0.488  15.924   9.988
  457   HD11  LEU  56          HD11      LEU  56   2.974  16.235   9.849
  458   HD12  LEU  56          HD12      LEU  56   2.262  15.739   8.313
  459   HD13  LEU  56          HD13      LEU  56   2.713  17.439   8.568
  460   HD21  LEU  56          HD21      LEU  56   1.679  17.451  11.532
  461   HD22  LEU  56          HD22      LEU  56   1.426  18.798  10.402
  462   HD23  LEU  56          HD23      LEU  56   0.035  18.020  11.188
  463    H    GLU  57           H        GLU  57  -1.182  17.372   5.053
  464    HA   GLU  57           HA       GLU  57  -3.978  17.378   5.693
  465    HB2  GLU  57           HB2      GLU  57  -2.772  18.848   4.049
  466    HB3  GLU  57           HB3      GLU  57  -2.669  17.466   2.947
  467    HG2  GLU  57           HG2      GLU  57  -5.121  17.355   2.825
  468    HG3  GLU  57           HG3      GLU  57  -5.267  18.627   4.045
  469    H    ASN  58           H        ASN  58  -1.880  14.872   4.241
  470    HA   ASN  58           HA       ASN  58  -4.151  12.979   4.188
  471    HB2  ASN  58           HB2      ASN  58  -4.175  14.305   2.042
  472    HB3  ASN  58           HB3      ASN  58  -2.584  13.655   1.656
  473   HD21  ASN  58          HD22      ASN  58  -4.719  13.304  -0.107
  474   HD22  ASN  58          HD21      ASN  58  -5.189  11.612  -0.092
  475    H    GLU  59           H        GLU  59  -3.546  10.899   4.568
  476    HA   GLU  59           HA       GLU  59  -0.905  10.184   5.393
  477    HB2  GLU  59           HB2      GLU  59  -3.127   9.146   6.059
  478    HB3  GLU  59           HB3      GLU  59  -3.172   8.364   4.484
  479    HG2  GLU  59           HG2      GLU  59  -2.384   6.764   6.061
  480    HG3  GLU  59           HG3      GLU  59  -1.012   7.196   5.057
  481    H    LEU  60           H        LEU  60  -2.575   9.860   2.234
  482    HA   LEU  60           HA       LEU  60  -0.649   8.199   0.959
  483    HB2  LEU  60           HB2      LEU  60  -2.794  10.131   0.019
  484    HB3  LEU  60           HB3      LEU  60  -1.666   9.502  -1.144
  485    HG   LEU  60           HG       LEU  60  -3.769   8.261  -1.106
  486   HD11  LEU  60          HD11      LEU  60  -1.401   6.535  -0.273
  487   HD12  LEU  60          HD12      LEU  60  -2.814   6.025  -1.213
  488   HD13  LEU  60          HD13      LEU  60  -1.675   7.196  -1.898
  489   HD21  LEU  60          HD21      LEU  60  -2.963   7.209   1.640
  490   HD22  LEU  60          HD22      LEU  60  -4.278   8.368   1.317
  491   HD23  LEU  60          HD23      LEU  60  -4.367   6.721   0.672
  492    H    LEU  61           H        LEU  61  -0.471  11.636   1.677
  493    HA   LEU  61           HA       LEU  61   1.876  12.088  -0.053
  494    HB2  LEU  61           HB2      LEU  61   0.677  13.655   2.288
  495    HB3  LEU  61           HB3      LEU  61   2.105  14.167   1.415
  496    HG   LEU  61           HG       LEU  61  -0.559  13.713   0.009
  497   HD11  LEU  61          HD11      LEU  61  -0.853  15.420   1.771
  498   HD12  LEU  61          HD12      LEU  61   0.574  16.293   1.171
  499   HD13  LEU  61          HD13      LEU  61  -0.880  16.158   0.159
  500   HD21  LEU  61          HD21      LEU  61   1.893  15.364  -0.769
  501   HD22  LEU  61          HD22      LEU  61   1.497  13.776  -1.443
  502   HD23  LEU  61          HD23      LEU  61   0.419  15.144  -1.735
  503    H    ARG  62           H        ARG  62   1.388  11.738   3.503
  504    HA   ARG  62           HA       ARG  62   4.093  11.613   4.233
  505    HB2  ARG  62           HB2      ARG  62   1.526  10.582   5.454
  506    HB3  ARG  62           HB3      ARG  62   3.067  10.143   6.198
  507    HG2  ARG  62           HG2      ARG  62   3.715  12.394   6.555
  508    HG3  ARG  62           HG3      ARG  62   2.423  13.030   5.527
  509    HD2  ARG  62           HD2      ARG  62   1.853  11.462   8.062
  510    HD3  ARG  62           HD3      ARG  62   2.122  13.202   8.073
  511    HE   ARG  62           HE       ARG  62   0.253  13.356   6.347
  512   HH11  ARG  62          HH11      ARG  62   0.194  10.636   8.605
  513   HH12  ARG  62          HH12      ARG  62  -1.522  10.705   8.814
  514   HH21  ARG  62          HH21      ARG  62  -1.977  13.514   6.825
  515   HH22  ARG  62          HH22      ARG  62  -2.732  12.309   7.815
  516    H    GLN  63           H        GLN  63   2.059   8.838   3.214
  517    HA   GLN  63           HA       GLN  63   4.324   6.965   3.575
  518    HB2  GLN  63           HB2      GLN  63   1.567   6.540   2.354
  519    HB3  GLN  63           HB3      GLN  63   2.729   5.280   2.764
  520    HG2  GLN  63           HG2      GLN  63   1.263   7.124   4.682
  521    HG3  GLN  63           HG3      GLN  63   0.995   5.402   4.473
  522   HE21  GLN  63          HE22      GLN  63   1.772   7.095   6.882
  523   HE22  GLN  63          HE21      GLN  63   3.231   6.300   7.494
  524    H    GLY  64           H        GLY  64   2.718   8.577   0.785
  525    HA2  GLY  64           HA2      GLY  64   4.071   6.926  -1.175
  526    HA3  GLY  64           HA3      GLY  64   3.084   8.384  -1.471
  527    H    LEU  65           H        LEU  65   4.664  10.226   0.105
  528    HA   LEU  65           HA       LEU  65   6.527  11.006  -1.910
  529    HB2  LEU  65           HB2      LEU  65   6.050  11.909   0.950
  530    HB3  LEU  65           HB3      LEU  65   7.273  12.667  -0.059
  531    HG   LEU  65           HG       LEU  65   4.348  12.497  -0.911
  532   HD11  LEU  65          HD11      LEU  65   4.564  13.783   1.195
  533   HD12  LEU  65          HD12      LEU  65   5.846  14.759   0.465
  534   HD13  LEU  65          HD13      LEU  65   4.195  14.858  -0.170
  535   HD21  LEU  65          HD21      LEU  65   5.935  12.868  -2.765
  536   HD22  LEU  65          HD22      LEU  65   5.047  14.354  -2.422
  537   HD23  LEU  65          HD23      LEU  65   6.720  14.169  -1.859
  538    H    LYS  66           H        LYS  66   7.116   9.365   1.206
  539    HA   LYS  66           HA       LYS  66   9.960   9.461   1.128
  540    HB2  LYS  66           HB2      LYS  66   8.049   7.377   2.294
  541    HB3  LYS  66           HB3      LYS  66   9.794   7.417   2.597
  542    HG2  LYS  66           HG2      LYS  66   9.628   9.618   3.660
  543    HG3  LYS  66           HG3      LYS  66   7.916   9.732   3.261
  544    HD2  LYS  66           HD2      LYS  66   8.180   9.150   5.595
  545    HD3  LYS  66           HD3      LYS  66   7.385   7.834   4.708
  546    HE2  LYS  66           HE2      LYS  66   9.503   6.567   4.635
  547    HE3  LYS  66           HE3      LYS  66  10.354   7.902   5.430
  548    HZ1  LYS  66           HZ1      LYS  66   9.735   6.164   7.014
  549    HZ2  LYS  66           HZ2      LYS  66   8.954   7.549   7.386
  550    HZ3  LYS  66           HZ3      LYS  66   8.150   6.321   6.657
  551    H    GLU  67           H        GLU  67   7.727   7.203  -0.478
  552    HA   GLU  67           HA       GLU  67   9.862   5.566  -1.641
  553    HB2  GLU  67           HB2      GLU  67   7.561   4.746  -1.083
  554    HB3  GLU  67           HB3      GLU  67   6.910   5.778  -2.341
  555    HG2  GLU  67           HG2      GLU  67   7.069   3.559  -3.217
  556    HG3  GLU  67           HG3      GLU  67   8.293   4.518  -4.034
  557    H    TYR  68           H        TYR  68   7.745   8.252  -2.797
  558    HA   TYR  68           HA       TYR  68   8.540   8.312  -5.504
  559    HB2  TYR  68           HB2      TYR  68   6.583   9.460  -4.493
  560    HB3  TYR  68           HB3      TYR  68   7.664  10.564  -3.663
  561    HD1  TYR  68           HD2      TYR  68   6.710   9.432  -7.110
  562    HD2  TYR  68           HD1      TYR  68   8.231  12.633  -4.647
  563    HE1  TYR  68           HE2      TYR  68   6.463  11.023  -9.016
  564    HE2  TYR  68           HE1      TYR  68   8.006  14.207  -6.536
  565    HH   TYR  68           HH       TYR  68   7.377  14.474  -8.725
  566    H    SER  69           H        SER  69   9.959  10.179  -2.739
  567    HA   SER  69           HA       SER  69  12.093  11.225  -4.524
  568    HB2  SER  69           HB2      SER  69  12.633  12.657  -2.669
  569    HB3  SER  69           HB3      SER  69  10.885  12.707  -2.943
  570    HG   SER  69           HG       SER  69  11.333  12.543  -0.771
  571    H    SER  70           H        SER  70  11.747   8.762  -2.088
  572    HA   SER  70           HA       SER  70  13.102   7.148  -1.262
  573    HB2  SER  70           HB2      SER  70  15.304   6.690  -1.866
  574    HB3  SER  70           HB3      SER  70  14.475   7.189  -3.348
  575    HG   SER  70           HG       SER  70  15.339   9.312  -2.916
  576    H    TRP  71           H        TRP  71  13.369  10.483  -0.647
  577    HA   TRP  71           HA       TRP  71  15.247  10.260   1.574
  578    HB2  TRP  71           HB2      TRP  71  15.084  12.257   0.139
  579    HB3  TRP  71           HB3      TRP  71  13.489  12.584   0.776
  580    HD1  TRP  71           HD1      TRP  71  13.369  13.828   3.037
  581    HE1  TRP  71           HE1      TRP  71  15.042  14.796   4.714
  582    HE3  TRP  71           HE3      TRP  71  17.650  11.710   1.193
  583    HZ2  TRP  71           HZ2      TRP  71  17.902  14.772   5.114
  584    HZ3  TRP  71           HZ3      TRP  71  19.836  12.207   2.240
  585    HH2  TRP  71           HH2      TRP  71  19.984  13.733   4.198
  586    HA   PRO  72           HA       PRO  72  11.948   8.821   4.157
  587    HB2  PRO  72           HB2      PRO  72  13.265   8.294   6.469
  588    HB3  PRO  72           HB3      PRO  72  13.636   7.441   4.938
  589    HG2  PRO  72           HG2      PRO  72  15.079   9.852   6.104
  590    HG3  PRO  72           HG3      PRO  72  15.788   8.302   5.542
  591    HD2  PRO  72           HD2      PRO  72  15.658  10.503   3.930
  592    HD3  PRO  72           HD3      PRO  72  15.439   8.844   3.288
  593    H    THR  73           H        THR  73  13.265  11.970   4.885
  594    HA   THR  73           HA       THR  73  11.354  12.310   7.170
  595    HB   THR  73           HB       THR  73  12.985  13.917   8.156
  596    HG1  THR  73           HG1      THR  73  14.838  12.642   6.475
  597   HG21  THR  73          HG21      THR  73  12.771  11.636   9.031
  598   HG22  THR  73          HG22      THR  73  13.984  11.050   7.876
  599   HG23  THR  73          HG23      THR  73  14.437  12.224   9.134
  600    H    PHE  74           H        PHE  74  10.996  14.646   7.716
  601    HA   PHE  74           HA       PHE  74  10.740  16.345   5.302
  602    HB2  PHE  74           HB2      PHE  74   8.530  15.800   7.319
  603    HB3  PHE  74           HB3      PHE  74   8.443  16.962   6.002
  604    HD1  PHE  74           HD2      PHE  74   8.409  16.188   3.616
  605    HD2  PHE  74           HD1      PHE  74   8.206  13.421   6.917
  606    HE1  PHE  74           HE2      PHE  74   7.651  14.394   2.073
  607    HE2  PHE  74           HE1      PHE  74   7.406  11.649   5.374
  608    HZ   PHE  74           HZ       PHE  74   7.142  12.128   2.956
  609    HA   PRO  75           HA       PRO  75   9.829  18.757   5.096
  610    HB2  PRO  75           HB2      PRO  75  12.059  20.782   5.246
  611    HB3  PRO  75           HB3      PRO  75  10.360  21.015   4.739
  612    HG2  PRO  75           HG2      PRO  75  11.147  21.807   7.196
  613    HG3  PRO  75           HG3      PRO  75   9.601  20.896   7.018
  614    HD2  PRO  75           HD2      PRO  75  12.323  19.805   7.810
  615    HD3  PRO  75           HD3      PRO  75  10.741  19.574   8.610
  616    H    GLN  76           H        GLN  76  10.541  18.695   2.878
  617    HA   GLN  76           HA       GLN  76  13.374  18.292   2.287
  618    HB2  GLN  76           HB2      GLN  76  13.083  16.249   0.962
  619    HB3  GLN  76           HB3      GLN  76  12.758  15.986   2.674
  620    HG2  GLN  76           HG2      GLN  76  10.336  16.012   2.267
  621    HG3  GLN  76           HG3      GLN  76  10.605  16.413   0.570
  622   HE21  GLN  76          HE22      GLN  76  10.962  13.777   2.983
  623   HE22  GLN  76          HE21      GLN  76  11.067  12.515   1.757
  624    H    LEU  77           H        LEU  77  13.951  19.028   0.326
  625    HA   LEU  77           HA       LEU  77  11.933  20.593  -1.168
  626    HB2  LEU  77           HB2      LEU  77  13.871  21.654  -0.158
  627    HB3  LEU  77           HB3      LEU  77  14.986  20.632  -1.016
  628    HG   LEU  77           HG       LEU  77  13.093  22.465  -2.534
  629   HD11  LEU  77          HD11      LEU  77  15.772  23.186  -1.249
  630   HD12  LEU  77          HD12      LEU  77  14.912  24.197  -2.421
  631   HD13  LEU  77          HD13      LEU  77  14.186  23.870  -0.844
  632   HD21  LEU  77          HD21      LEU  77  14.512  20.840  -3.881
  633   HD22  LEU  77          HD22      LEU  77  14.887  22.534  -4.205
  634   HD23  LEU  77          HD23      LEU  77  15.953  21.587  -3.170
  635    H    TYR  78           H        TYR  78  11.679  20.461  -3.443
  636    HA   TYR  78           HA       TYR  78  13.028  18.267  -4.894
  637    HB2  TYR  78           HB2      TYR  78  11.009  17.389  -3.616
  638    HB3  TYR  78           HB3      TYR  78  10.011  18.383  -4.638
  639    HD1  TYR  78           HD1      TYR  78  10.229  17.964  -7.257
  640    HD2  TYR  78           HD2      TYR  78  11.484  15.194  -4.199
  641    HE1  TYR  78           HE1      TYR  78  10.166  16.113  -8.897
  642    HE2  TYR  78           HE2      TYR  78  11.388  13.332  -5.843
  643    HH   TYR  78           HH       TYR  78  10.925  12.730  -8.019
  644    H    ILE  79           H        ILE  79  13.112  18.539  -7.114
  645    HA   ILE  79           HA       ILE  79  11.916  20.999  -8.312
  646    HB   ILE  79           HB       ILE  79  14.317  21.444  -9.189
  647   HG12  ILE  79          HG12      ILE  79  15.130  20.045  -6.596
  648   HG13  ILE  79          HG13      ILE  79  15.357  19.362  -8.207
  649   HG21  ILE  79          HG21      ILE  79  13.658  22.102  -6.290
  650   HG22  ILE  79          HG22      ILE  79  14.710  23.028  -7.382
  651   HG23  ILE  79          HG23      ILE  79  12.993  22.917  -7.721
  652   HD11  ILE  79          HD11      ILE  79  16.658  21.889  -7.123
  653   HD12  ILE  79          HD12      ILE  79  17.423  20.337  -7.497
  654   HD13  ILE  79          HD13      ILE  79  16.776  21.337  -8.814
  655    H    ASP  80           H        ASP  80  11.223  20.672 -10.270
  656    HA   ASP  80           HA       ASP  80  10.831  19.956 -12.349
  657    HB2  ASP  80           HB2      ASP  80  13.068  20.990 -12.496
  658    HB3  ASP  80           HB3      ASP  80  13.813  19.400 -12.321
  659    H    GLY  81           H        GLY  81  12.050  17.484 -10.348
  660    HA2  GLY  81           HA2      GLY  81  10.797  15.199 -10.921
  661    HA3  GLY  81           HA3      GLY  81  11.836  15.306 -12.349
  662    H    GLU  82           H        GLU  82  13.430  16.724  -9.691
  663    HA   GLU  82           HA       GLU  82  14.709  14.195  -8.801
  664    HB2  GLU  82           HB2      GLU  82  16.066  15.547 -10.473
  665    HB3  GLU  82           HB3      GLU  82  16.065  16.874  -9.314
  666    HG2  GLU  82           HG2      GLU  82  18.160  15.690  -9.176
  667    HG3  GLU  82           HG3      GLU  82  17.275  15.406  -7.684
  668    H    PHE  83           H        PHE  83  15.287  14.120  -6.602
  669    HA   PHE  83           HA       PHE  83  13.988  16.144  -4.840
  670    HB2  PHE  83           HB2      PHE  83  13.747  14.521  -3.301
  671    HB3  PHE  83           HB3      PHE  83  13.660  13.514  -4.737
  672    HD1  PHE  83           HD1      PHE  83  15.915  12.379  -5.519
  673    HD2  PHE  83           HD2      PHE  83  15.321  14.131  -1.624
  674    HE1  PHE  83           HE1      PHE  83  17.899  11.156  -4.658
  675    HE2  PHE  83           HE2      PHE  83  17.312  12.957  -0.778
  676    HZ   PHE  83           HZ       PHE  83  18.623  11.457  -2.302
  677    H    PHE  84           H        PHE  84  14.892  16.726  -2.926
  678    HA   PHE  84           HA       PHE  84  17.815  16.850  -2.749
  679    HB2  PHE  84           HB2      PHE  84  16.618  18.898  -3.990
  680    HB3  PHE  84           HB3      PHE  84  16.189  19.353  -2.352
  681    HD1  PHE  84           HD2      PHE  84  19.098  18.306  -4.472
  682    HD2  PHE  84           HD1      PHE  84  17.768  20.706  -1.137
  683    HE1  PHE  84           HE2      PHE  84  21.358  19.314  -4.299
  684    HE2  PHE  84           HE1      PHE  84  20.039  21.704  -0.967
  685    HZ   PHE  84           HZ       PHE  84  21.833  20.999  -2.540
  686    H    GLY  85           H        GLY  85  18.260  18.116  -0.711
  687    HA2  GLY  85           HA2      GLY  85  17.350  16.366   1.450
  688    HA3  GLY  85           HA3      GLY  85  18.626  17.591   1.553
  689    H    GLY  86           H        GLY  86  17.581  17.617   3.719
  690    HA2  GLY  86           HA2      GLY  86  15.149  19.257   4.057
  691    HA3  GLY  86           HA3      GLY  86  16.204  18.607   5.331
  692    H    CYS  87           H        CYS  87  15.859  20.753   6.261
  693    HA   CYS  87           HA       CYS  87  16.549  23.171   4.968
  694    HB2  CYS  87           HB2      CYS  87  15.103  22.943   6.978
  695    HB3  CYS  87           HB3      CYS  87  16.534  22.559   7.966
  696    HG   CYS  87           HG       CYS  87  17.829  24.810   7.422
  697    H    ASP  88           H        ASP  88  18.644  21.331   7.261
  698    HA   ASP  88           HA       ASP  88  20.835  23.122   7.165
  699    HB2  ASP  88           HB2      ASP  88  20.782  20.109   7.591
  700    HB3  ASP  88           HB3      ASP  88  22.190  21.132   7.871
  701    H    ILE  89           H        ILE  89  20.186  20.272   5.101
  702    HA   ILE  89           HA       ILE  89  22.512  20.551   3.417
  703    HB   ILE  89           HB       ILE  89  19.800  19.262   2.900
  704   HG12  ILE  89          HG12      ILE  89  22.520  18.023   3.568
  705   HG13  ILE  89          HG13      ILE  89  21.260  18.321   4.759
  706   HG21  ILE  89          HG21      ILE  89  20.917  18.083   0.993
  707   HG22  ILE  89          HG22      ILE  89  20.835  19.814   0.730
  708   HG23  ILE  89          HG23      ILE  89  22.367  19.078   1.239
  709   HD11  ILE  89          HD11      ILE  89  21.048  16.389   2.422
  710   HD12  ILE  89          HD12      ILE  89  21.207  16.004   4.140
  711   HD13  ILE  89          HD13      ILE  89  19.728  16.782   3.548
  712    H    THR  90           H        THR  90  19.225  21.920   3.134
  713    HA   THR  90           HA       THR  90  19.632  23.303   0.644
  714    HB   THR  90           HB       THR  90  17.724  24.003   2.919
  715    HG1  THR  90           HG1      THR  90  17.348  21.928   2.193
  716   HG21  THR  90          HG21      THR  90  17.625  24.652  -0.059
  717   HG22  THR  90          HG22      THR  90  16.362  25.012   1.136
  718   HG23  THR  90          HG23      THR  90  17.920  25.832   1.247
  719    H    VAL  91           H        VAL  91  20.062  24.393   4.020
  720    HA   VAL  91           HA       VAL  91  20.933  27.040   3.434
  721    HB   VAL  91           HB       VAL  91  21.416  25.194   5.792
  722   HG11  VAL  91          HG11      VAL  91  22.204  27.181   7.079
  723   HG12  VAL  91          HG12      VAL  91  23.352  26.682   5.836
  724   HG13  VAL  91          HG13      VAL  91  22.313  28.101   5.560
  725   HG21  VAL  91          HG21      VAL  91  19.815  26.598   6.930
  726   HG22  VAL  91          HG22      VAL  91  19.808  27.772   5.607
  727   HG23  VAL  91          HG23      VAL  91  19.098  26.169   5.372
  728    H    GLU  92           H        GLU  92  22.894  24.012   3.821
  729    HA   GLU  92           HA       GLU  92  25.418  25.327   3.328
  730    HB2  GLU  92           HB2      GLU  92  24.541  22.414   3.164
  731    HB3  GLU  92           HB3      GLU  92  26.192  22.953   2.838
  732    HG2  GLU  92           HG2      GLU  92  26.283  24.001   5.106
  733    HG3  GLU  92           HG3      GLU  92  24.693  23.328   5.466
  734    H    ALA  93           H        ALA  93  23.105  23.676   1.125
  735    HA   ALA  93           HA       ALA  93  24.743  23.883  -1.216
  736    HB1  ALA  93           HB1      ALA  93  22.871  22.303  -0.917
  737    HB2  ALA  93           HB2      ALA  93  21.717  23.649  -0.850
  738    HB3  ALA  93           HB3      ALA  93  22.611  23.310  -2.354
  739    H    TYR  94           H        TYR  94  22.282  26.095   0.154
  740    HA   TYR  94           HA       TYR  94  22.408  28.079  -1.938
  741    HB2  TYR  94           HB2      TYR  94  20.566  27.863  -0.328
  742    HB3  TYR  94           HB3      TYR  94  21.651  28.193   1.008
  743    HD1  TYR  94           HD1      TYR  94  20.778  29.846  -2.294
  744    HD2  TYR  94           HD2      TYR  94  21.355  30.288   1.961
  745    HE1  TYR  94           HE1      TYR  94  20.193  32.258  -2.461
  746    HE2  TYR  94           HE2      TYR  94  20.752  32.689   1.795
  747    HH   TYR  94           HH       TYR  94  20.109  34.399   0.403
  748    H    LYS  95           H        LYS  95  24.245  27.685   1.113
  749    HA   LYS  95           HA       LYS  95  25.866  30.056   0.800
  750    HB2  LYS  95           HB2      LYS  95  25.461  28.810   2.925
  751    HB3  LYS  95           HB3      LYS  95  26.435  27.466   2.311
  752    HG2  LYS  95           HG2      LYS  95  28.427  28.933   2.210
  753    HG3  LYS  95           HG3      LYS  95  27.444  30.329   2.674
  754    HD2  LYS  95           HD2      LYS  95  28.690  29.577   4.590
  755    HD3  LYS  95           HD3      LYS  95  26.975  29.245   4.877
  756    HE2  LYS  95           HE2      LYS  95  27.314  26.865   4.263
  757    HE3  LYS  95           HE3      LYS  95  29.014  27.193   3.879
  758    HZ1  LYS  95           HZ1      LYS  95  29.361  27.787   6.215
  759    HZ2  LYS  95           HZ2      LYS  95  27.797  27.475   6.583
  760    HZ3  LYS  95           HZ3      LYS  95  28.789  26.264   6.105
  761    H    SER  96           H        SER  96  26.284  26.691  -0.295
  762    HA   SER  96           HA       SER  96  28.971  27.157  -1.379
  763    HB2  SER  96           HB2      SER  96  27.075  24.817  -1.808
  764    HB3  SER  96           HB3      SER  96  28.815  24.851  -2.122
  765    HG   SER  96           HG       SER  96  27.428  24.927   0.352
  766    H    GLY  97           H        GLY  97  25.800  27.681  -2.694
  767    HA2  GLY  97           HA2      GLY  97  25.295  28.704  -4.758
  768    HA3  GLY  97           HA3      GLY  97  26.897  28.264  -5.392
  769    H    GLU  98           H        GLU  98  25.676  25.526  -3.984
  770    HA   GLU  98           HA       GLU  98  25.235  24.160  -6.495
  771    HB2  GLU  98           HB2      GLU  98  24.623  23.299  -3.639
  772    HB3  GLU  98           HB3      GLU  98  24.630  22.237  -5.042
  773    HG2  GLU  98           HG2      GLU  98  27.051  23.741  -3.935
  774    HG3  GLU  98           HG3      GLU  98  26.673  22.052  -3.654
  775    H    LEU  99           H        LEU  99  23.046  25.333  -3.882
  776    HA   LEU  99           HA       LEU  99  20.632  24.337  -5.092
  777    HB2  LEU  99           HB2      LEU  99  20.904  25.062  -2.676
  778    HB3  LEU  99           HB3      LEU  99  20.985  26.738  -3.228
  779    HG   LEU  99           HG       LEU  99  18.658  26.407  -4.240
  780   HD11  LEU  99          HD11      LEU  99  18.596  23.925  -4.318
  781   HD12  LEU  99          HD12      LEU  99  18.730  23.863  -2.545
  782   HD13  LEU  99          HD13      LEU  99  17.288  24.553  -3.312
  783   HD21  LEU  99          HD21      LEU  99  18.974  27.621  -2.173
  784   HD22  LEU  99          HD22      LEU  99  17.526  26.608  -2.032
  785   HD23  LEU  99          HD23      LEU  99  19.044  26.114  -1.241
  786    H    GLN 100           H        GLN 100  22.291  27.496  -5.303
  787    HA   GLN 100           HA       GLN 100  20.471  28.844  -7.015
  788    HB2  GLN 100           HB2      GLN 100  22.307  29.956  -5.863
  789    HB3  GLN 100           HB3      GLN 100  23.501  29.015  -6.752
  790    HG2  GLN 100           HG2      GLN 100  22.990  30.127  -8.830
  791    HG3  GLN 100           HG3      GLN 100  21.561  30.907  -8.137
  792   HE21  GLN 100          HE22      GLN 100  25.115  30.643  -7.262
  793   HE22  GLN 100          HE21      GLN 100  25.256  32.354  -6.911
  794    H    GLU 101           H        GLU 101  23.295  26.771  -7.965
  795    HA   GLU 101           HA       GLU 101  22.789  26.936 -10.748
  796    HB2  GLU 101           HB2      GLU 101  24.898  26.155  -9.679
  797    HB3  GLU 101           HB3      GLU 101  24.096  24.650  -9.204
  798    HG2  GLU 101           HG2      GLU 101  23.691  24.103 -11.576
  799    HG3  GLU 101           HG3      GLU 101  24.401  25.643 -12.074
  800    H    GLN 102           H        GLN 102  21.706  24.383  -8.386
  801    HA   GLN 102           HA       GLN 102  20.325  22.873 -10.385
  802    HB2  GLN 102           HB2      GLN 102  20.065  22.942  -7.349
  803    HB3  GLN 102           HB3      GLN 102  19.226  21.782  -8.377
  804    HG2  GLN 102           HG2      GLN 102  22.269  22.050  -8.352
  805    HG3  GLN 102           HG3      GLN 102  21.364  20.937  -7.330
  806   HE21  GLN 102          HE22      GLN 102  20.264  19.094  -8.336
  807   HE22  GLN 102          HE21      GLN 102  20.677  18.629  -9.977
  808    H    VAL 103           H        VAL 103  19.096  25.430  -8.175
  809    HA   VAL 103           HA       VAL 103  16.334  25.115  -8.986
  810    HB   VAL 103           HB       VAL 103  17.804  27.390  -7.637
  811   HG11  VAL 103          HG11      VAL 103  14.811  27.129  -8.158
  812   HG12  VAL 103          HG12      VAL 103  15.532  28.247  -6.980
  813   HG13  VAL 103          HG13      VAL 103  15.891  28.436  -8.698
  814   HG21  VAL 103          HG21      VAL 103  16.651  26.582  -5.620
  815   HG22  VAL 103          HG22      VAL 103  15.745  25.385  -6.568
  816   HG23  VAL 103          HG23      VAL 103  17.491  25.210  -6.345
  817    H    GLU 104           H        GLU 104  19.022  27.236 -10.201
  818    HA   GLU 104           HA       GLU 104  17.445  28.591 -12.150
  819    HB2  GLU 104           HB2      GLU 104  19.704  29.287 -11.453
  820    HB3  GLU 104           HB3      GLU 104  20.396  27.852 -12.230
  821    HG2  GLU 104           HG2      GLU 104  19.602  28.650 -14.431
  822    HG3  GLU 104           HG3      GLU 104  18.808  30.030 -13.662
  823    H    LYS 105           H        LYS 105  19.343  25.515 -12.383
  824    HA   LYS 105           HA       LYS 105  18.606  24.853 -15.060
  825    HB2  LYS 105           HB2      LYS 105  19.397  23.186 -12.641
  826    HB3  LYS 105           HB3      LYS 105  19.067  22.467 -14.220
  827    HG2  LYS 105           HG2      LYS 105  20.885  23.609 -15.273
  828    HG3  LYS 105           HG3      LYS 105  21.095  24.709 -13.910
  829    HD2  LYS 105           HD2      LYS 105  22.871  23.073 -13.874
  830    HD3  LYS 105           HD3      LYS 105  21.819  22.845 -12.470
  831    HE2  LYS 105           HE2      LYS 105  20.654  20.976 -13.705
  832    HE3  LYS 105           HE3      LYS 105  21.799  21.187 -15.038
  833    HZ1  LYS 105           HZ1      LYS 105  22.509  20.445 -12.246
  834    HZ2  LYS 105           HZ2      LYS 105  22.505  19.426 -13.530
  835    HZ3  LYS 105           HZ3      LYS 105  23.596  20.647 -13.465
  836    H    ALA 106           H        ALA 106  16.886  24.113 -11.973
  837    HA   ALA 106           HA       ALA 106  14.772  22.609 -13.152
  838    HB1  ALA 106           HB1      ALA 106  13.631  23.008 -11.022
  839    HB2  ALA 106           HB2      ALA 106  15.354  22.685 -10.738
  840    HB3  ALA 106           HB3      ALA 106  14.731  24.346 -10.632
  841    H    MET 107           H        MET 107  14.965  26.142 -12.513
  842    HA   MET 107           HA       MET 107  12.326  26.748 -13.528
  843    HB2  MET 107           HB2      MET 107  14.798  28.476 -13.114
  844    HB3  MET 107           HB3      MET 107  13.227  29.100 -13.638
  845    HG2  MET 107           HG2      MET 107  12.184  28.101 -11.583
  846    HG3  MET 107           HG3      MET 107  13.788  27.674 -11.010
  847    HE1  MET 107           HE1      MET 107  15.386  30.532 -12.057
  848    HE2  MET 107           HE2      MET 107  15.400  31.244 -10.437
  849    HE3  MET 107           HE3      MET 107  15.716  29.507 -10.649
  850    H    CYS 108           H        CYS 108  15.530  26.644 -15.116
  851    HA   CYS 108           HA       CYS 108  14.627  27.474 -17.730
  852    HB2  CYS 108           HB2      CYS 108  17.001  27.415 -16.906
  853    HB3  CYS 108           HB3      CYS 108  16.944  25.642 -16.930
  854    HG   CYS 108           HG       CYS 108  18.273  26.533 -19.043
  855    H    SER 109           H        SER 109  14.974  24.293 -16.226
  856    HA   SER 109           HA       SER 109  13.885  22.345 -16.348
  857    HB2  SER 109           HB2      SER 109  11.963  23.551 -18.366
  858    HB3  SER 109           HB3      SER 109  11.751  22.072 -17.421
  859    HG   SER 109           HG       SER 109  12.254  23.771 -15.591
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  -7.882  -0.651  -3.207
    2    H2   MET   1           H2       MET   1  -8.595   0.356  -2.130
    3    H3   MET   1           H3       MET   1  -9.407  -0.122  -3.470
    4    HA   MET   1           HA       MET   1  -7.872   1.029  -4.913
    5    HB2  MET   1           HB2      MET   1  -9.921   2.200  -4.148
    6    HB3  MET   1           HB3      MET   1  -9.057   2.822  -2.743
    7    HG2  MET   1           HG2      MET   1  -9.269   4.513  -4.479
    8    HG3  MET   1           HG3      MET   1  -7.573   4.133  -4.201
    9    HE1  MET   1           HE1      MET   1  -6.985   5.476  -6.393
   10    HE2  MET   1           HE2      MET   1  -7.705   5.153  -7.986
   11    HE3  MET   1           HE3      MET   1  -8.710   5.805  -6.673
   12    H    ALA   2           H        ALA   2  -5.828   1.795  -5.245
   13    HA   ALA   2           HA       ALA   2  -3.995   2.040  -2.908
   14    HB1  ALA   2           HB1      ALA   2  -3.437   1.766  -5.902
   15    HB2  ALA   2           HB2      ALA   2  -2.231   1.739  -4.600
   16    HB3  ALA   2           HB3      ALA   2  -3.428   0.440  -4.717
   17    H    LEU   3           H        LEU   3  -2.323   3.702  -2.988
   18    HA   LEU   3           HA       LEU   3  -3.353   6.361  -3.587
   19    HB2  LEU   3           HB2      LEU   3  -1.384   7.148  -2.458
   20    HB3  LEU   3           HB3      LEU   3  -2.093   5.814  -1.574
   21    HG   LEU   3           HG       LEU   3  -0.224   4.392  -2.909
   22   HD11  LEU   3          HD11      LEU   3   1.890   5.675  -3.080
   23   HD12  LEU   3          HD12      LEU   3   0.694   6.326  -4.201
   24   HD13  LEU   3          HD13      LEU   3   1.029   7.175  -2.690
   25   HD21  LEU   3          HD21      LEU   3  -0.438   4.496  -0.487
   26   HD22  LEU   3          HD22      LEU   3   1.261   4.735  -0.924
   27   HD23  LEU   3          HD23      LEU   3   0.259   6.129  -0.451
   28    H    THR   4           H        THR   4  -1.353   4.138  -5.365
   29    HA   THR   4           HA       THR   4   0.419   5.867  -6.646
   30    HB   THR   4           HB       THR   4   0.622   4.002  -8.359
   31    HG1  THR   4           HG1      THR   4  -0.464   2.101  -7.772
   32   HG21  THR   4          HG21      THR   4   1.663   2.474  -6.742
   33   HG22  THR   4          HG22      THR   4   2.009   4.147  -6.285
   34   HG23  THR   4          HG23      THR   4   0.771   3.224  -5.406
   35    HA   PRO   5           HA       PRO   5  -2.290   6.621 -10.420
   36    HB2  PRO   5           HB2      PRO   5  -4.998   6.401 -10.412
   37    HB3  PRO   5           HB3      PRO   5  -3.930   4.989 -10.683
   38    HG2  PRO   5           HG2      PRO   5  -5.198   5.882  -8.069
   39    HG3  PRO   5           HG3      PRO   5  -5.255   4.251  -8.822
   40    HD2  PRO   5           HD2      PRO   5  -3.450   4.851  -6.918
   41    HD3  PRO   5           HD3      PRO   5  -3.002   3.832  -8.315
   42    H    ALA   6           H        ALA   6  -3.064   7.706  -7.209
   43    HA   ALA   6           HA       ALA   6  -4.233  10.275  -8.224
   44    HB1  ALA   6           HB1      ALA   6  -5.211  10.417  -5.953
   45    HB2  ALA   6           HB2      ALA   6  -5.701   8.925  -6.781
   46    HB3  ALA   6           HB3      ALA   6  -4.458   8.873  -5.514
   47    H    LEU   7           H        LEU   7  -2.105   9.105  -5.557
   48    HA   LEU   7           HA       LEU   7  -1.261  11.723  -4.805
   49    HB2  LEU   7           HB2      LEU   7  -1.358   9.720  -3.360
   50    HB3  LEU   7           HB3      LEU   7  -0.071   8.950  -4.251
   51    HG   LEU   7           HG       LEU   7   0.445   9.967  -1.984
   52   HD11  LEU   7          HD11      LEU   7   2.258  10.924  -4.233
   53   HD12  LEU   7          HD12      LEU   7   2.699  10.634  -2.543
   54   HD13  LEU   7          HD13      LEU   7   2.226   9.272  -3.573
   55   HD21  LEU   7          HD21      LEU   7   0.485  12.613  -3.479
   56   HD22  LEU   7          HD22      LEU   7  -0.735  12.110  -2.290
   57   HD23  LEU   7          HD23      LEU   7   0.958  12.325  -1.799
   58    H    LYS   8           H        LYS   8   0.593   9.142  -6.511
   59    HA   LYS   8           HA       LYS   8   2.911  10.734  -6.970
   60    HB2  LYS   8           HB2      LYS   8   1.852   8.397  -8.625
   61    HB3  LYS   8           HB3      LYS   8   3.501   9.034  -8.643
   62    HG2  LYS   8           HG2      LYS   8   3.699   8.429  -6.188
   63    HG3  LYS   8           HG3      LYS   8   2.094   7.711  -6.271
   64    HD2  LYS   8           HD2      LYS   8   3.714   5.954  -6.454
   65    HD3  LYS   8           HD3      LYS   8   2.882   6.114  -8.007
   66    HE2  LYS   8           HE2      LYS   8   4.819   7.394  -8.914
   67    HE3  LYS   8           HE3      LYS   8   5.634   7.281  -7.344
   68    HZ1  LYS   8           HZ1      LYS   8   4.923   4.961  -9.068
   69    HZ2  LYS   8           HZ2      LYS   8   6.424   5.577  -8.884
   70    HZ3  LYS   8           HZ3      LYS   8   5.680   4.859  -7.620
   71    H    THR   9           H        THR   9   0.068  10.202  -9.090
   72    HA   THR   9           HA       THR   9   0.690  11.815 -11.277
   73    HB   THR   9           HB       THR   9  -2.050  11.518 -10.119
   74    HG1  THR   9           HG1      THR   9  -2.101   9.466 -10.815
   75   HG21  THR   9          HG21      THR   9  -2.658  11.225 -12.494
   76   HG22  THR   9          HG22      THR   9  -1.801  12.764 -12.257
   77   HG23  THR   9          HG23      THR   9  -0.944  11.369 -12.945
   78    H    THR  10           H        THR  10  -0.870  12.784  -8.190
   79    HA   THR  10           HA       THR  10  -1.352  15.533  -8.969
   80    HB   THR  10           HB       THR  10  -1.069  14.302  -6.191
   81    HG1  THR  10           HG1      THR  10  -2.735  13.376  -7.284
   82   HG21  THR  10          HG21      THR  10  -2.291  16.945  -7.120
   83   HG22  THR  10          HG22      THR  10  -2.479  16.243  -5.495
   84   HG23  THR  10          HG23      THR  10  -0.880  16.751  -6.054
   85    H    LEU  11           H        LEU  11   1.269  14.016  -7.024
   86    HA   LEU  11           HA       LEU  11   2.744  16.462  -6.720
   87    HB2  LEU  11           HB2      LEU  11   3.678  13.573  -6.570
   88    HB3  LEU  11           HB3      LEU  11   4.585  14.986  -6.010
   89    HG   LEU  11           HG       LEU  11   1.938  13.986  -4.874
   90   HD11  LEU  11          HD11      LEU  11   3.927  12.613  -4.329
   91   HD12  LEU  11          HD12      LEU  11   4.725  14.058  -3.667
   92   HD13  LEU  11          HD13      LEU  11   3.249  13.422  -2.907
   93   HD21  LEU  11          HD21      LEU  11   1.908  16.391  -4.634
   94   HD22  LEU  11          HD22      LEU  11   2.329  15.693  -3.070
   95   HD23  LEU  11          HD23      LEU  11   3.600  16.410  -4.089
   96    H    ASP  12           H        ASP  12   2.948  13.945  -9.264
   97    HA   ASP  12           HA       ASP  12   5.083  15.080 -10.751
   98    HB2  ASP  12           HB2      ASP  12   4.172  12.854 -11.168
   99    HB3  ASP  12           HB3      ASP  12   2.643  13.552 -11.710
  100    H    LYS  13           H        LYS  13   1.509  15.709 -11.099
  101    HA   LYS  13           HA       LYS  13   1.786  17.835 -12.989
  102    HB2  LYS  13           HB2      LYS  13  -0.353  17.189 -10.931
  103    HB3  LYS  13           HB3      LYS  13  -0.474  18.563 -12.047
  104    HG2  LYS  13           HG2      LYS  13  -0.228  17.047 -13.987
  105    HG3  LYS  13           HG3      LYS  13  -0.175  15.652 -12.913
  106    HD2  LYS  13           HD2      LYS  13  -2.504  17.592 -13.243
  107    HD3  LYS  13           HD3      LYS  13  -2.390  15.964 -13.925
  108    HE2  LYS  13           HE2      LYS  13  -2.271  15.020 -11.606
  109    HE3  LYS  13           HE3      LYS  13  -2.468  16.653 -10.946
  110    HZ1  LYS  13           HZ1      LYS  13  -4.594  15.494 -11.044
  111    HZ2  LYS  13           HZ2      LYS  13  -4.632  16.773 -12.060
  112    HZ3  LYS  13           HZ3      LYS  13  -4.457  15.260 -12.659
  113    H    VAL  14           H        VAL  14   1.781  17.996  -9.400
  114    HA   VAL  14           HA       VAL  14   2.156  20.804  -9.236
  115    HB   VAL  14           HB       VAL  14   2.889  18.646  -7.335
  116   HG11  VAL  14          HG11      VAL  14   3.172  20.391  -5.578
  117   HG12  VAL  14          HG12      VAL  14   4.441  20.458  -6.794
  118   HG13  VAL  14          HG13      VAL  14   3.119  21.644  -6.840
  119   HG21  VAL  14          HG21      VAL  14   0.744  20.806  -7.229
  120   HG22  VAL  14          HG22      VAL  14   0.457  19.134  -7.728
  121   HG23  VAL  14          HG23      VAL  14   0.960  19.475  -6.071
  122    H    VAL  15           H        VAL  15   4.803  18.270  -9.196
  123    HA   VAL  15           HA       VAL  15   6.805  20.313  -9.168
  124    HB   VAL  15           HB       VAL  15   7.096  17.944  -8.397
  125   HG11  VAL  15          HG11      VAL  15   7.929  16.264  -9.945
  126   HG12  VAL  15          HG12      VAL  15   6.334  16.804 -10.486
  127   HG13  VAL  15          HG13      VAL  15   7.795  17.375 -11.312
  128   HG21  VAL  15          HG21      VAL  15   9.279  19.099 -10.176
  129   HG22  VAL  15          HG22      VAL  15   8.952  19.561  -8.494
  130   HG23  VAL  15          HG23      VAL  15   9.506  17.926  -8.879
  131    H    THR  16           H        THR  16   5.229  18.764 -11.957
  132    HA   THR  16           HA       THR  16   7.055  20.004 -13.888
  133    HB   THR  16           HB       THR  16   5.318  19.395 -15.575
  134    HG1  THR  16           HG1      THR  16   4.121  17.953 -13.479
  135   HG21  THR  16          HG21      THR  16   6.224  17.141 -13.720
  136   HG22  THR  16          HG22      THR  16   5.662  16.958 -15.395
  137   HG23  THR  16          HG23      THR  16   7.157  17.849 -15.051
  138    H    SER  17           H        SER  17   4.008  21.030 -12.373
  139    HA   SER  17           HA       SER  17   3.738  23.371 -14.080
  140    HB2  SER  17           HB2      SER  17   2.533  22.826 -11.337
  141    HB3  SER  17           HB3      SER  17   2.049  24.104 -12.459
  142    HG   SER  17           HG       SER  17   1.769  21.297 -12.718
  143    H    HIS  18           H        HIS  18   5.149  22.908 -10.798
  144    HA   HIS  18           HA       HIS  18   5.865  25.810 -10.725
  145    HB2  HIS  18           HB2      HIS  18   5.683  23.682  -8.551
  146    HB3  HIS  18           HB3      HIS  18   6.086  25.377  -8.281
  147    HD1  HIS  18           HD1      HIS  18   4.037  27.189  -8.878
  148    HD2  HIS  18           HD2      HIS  18   3.087  23.096  -8.690
  149    HE1  HIS  18           HE1      HIS  18   1.499  27.046  -8.700
  150    H    LYS  19           H        LYS  19   7.478  22.909 -11.401
  151    HA   LYS  19           HA       LYS  19   9.600  22.255 -11.696
  152    HB2  LYS  19           HB2      LYS  19  10.231  25.235 -11.693
  153    HB3  LYS  19           HB3      LYS  19  11.300  23.932 -12.229
  154    HG2  LYS  19           HG2      LYS  19   9.430  23.210 -13.835
  155    HG3  LYS  19           HG3      LYS  19   8.634  24.751 -13.455
  156    HD2  LYS  19           HD2      LYS  19  10.649  25.974 -14.272
  157    HD3  LYS  19           HD3      LYS  19  11.439  24.412 -14.593
  158    HE2  LYS  19           HE2      LYS  19   9.446  23.854 -16.101
  159    HE3  LYS  19           HE3      LYS  19   8.951  25.550 -15.942
  160    HZ1  LYS  19           HZ1      LYS  19  11.524  24.561 -17.062
  161    HZ2  LYS  19           HZ2      LYS  19  10.290  25.215 -17.923
  162    HZ3  LYS  19           HZ3      LYS  19  11.152  26.153 -16.893
  163    H    VAL  20           H        VAL  20   9.646  24.657  -9.078
  164    HA   VAL  20           HA       VAL  20  11.488  22.848  -7.528
  165    HB   VAL  20           HB       VAL  20  11.200  25.845  -7.087
  166   HG11  VAL  20          HG11      VAL  20  13.297  25.511  -5.768
  167   HG12  VAL  20          HG12      VAL  20  11.953  24.566  -5.115
  168   HG13  VAL  20          HG13      VAL  20  13.209  23.775  -6.085
  169   HG21  VAL  20          HG21      VAL  20  13.454  24.432  -8.584
  170   HG22  VAL  20          HG22      VAL  20  12.255  25.526  -9.299
  171   HG23  VAL  20          HG23      VAL  20  13.413  26.138  -8.111
  172    H    VAL  21           H        VAL  21  10.593  21.911  -5.814
  173    HA   VAL  21           HA       VAL  21   8.155  23.141  -4.568
  174    HB   VAL  21           HB       VAL  21   8.486  20.192  -5.243
  175   HG11  VAL  21          HG11      VAL  21   7.061  20.591  -3.247
  176   HG12  VAL  21          HG12      VAL  21   6.105  21.769  -4.162
  177   HG13  VAL  21          HG13      VAL  21   6.090  20.053  -4.620
  178   HG21  VAL  21          HG21      VAL  21   8.121  21.475  -7.331
  179   HG22  VAL  21          HG22      VAL  21   6.712  20.514  -6.901
  180   HG23  VAL  21          HG23      VAL  21   6.707  22.266  -6.597
  181    H    LEU  22           H        LEU  22   8.077  23.081  -2.413
  182    HA   LEU  22           HA       LEU  22  10.241  21.665  -0.900
  183    HB2  LEU  22           HB2      LEU  22  10.244  24.170  -1.006
  184    HB3  LEU  22           HB3      LEU  22   8.662  24.214  -0.262
  185    HG   LEU  22           HG       LEU  22  10.642  24.763   1.171
  186   HD11  LEU  22          HD11      LEU  22   9.016  22.444   2.272
  187   HD12  LEU  22          HD12      LEU  22   9.828  23.726   3.180
  188   HD13  LEU  22          HD13      LEU  22   8.456  24.128   2.143
  189   HD21  LEU  22          HD21      LEU  22  11.189  21.769   1.256
  190   HD22  LEU  22          HD22      LEU  22  12.144  22.935   0.312
  191   HD23  LEU  22          HD23      LEU  22  12.065  23.058   2.086
  192    H    PHE  23           H        PHE  23   9.623  20.106   0.507
  193    HA   PHE  23           HA       PHE  23   6.700  19.740   1.062
  194    HB2  PHE  23           HB2      PHE  23   9.013  17.776   0.882
  195    HB3  PHE  23           HB3      PHE  23   7.446  17.384   1.541
  196    HD1  PHE  23           HD2      PHE  23   9.027  18.695  -1.631
  197    HD2  PHE  23           HD1      PHE  23   5.730  16.573   0.174
  198    HE1  PHE  23           HE2      PHE  23   8.148  18.103  -3.876
  199    HE2  PHE  23           HE1      PHE  23   4.891  15.977  -2.073
  200    HZ   PHE  23           HZ       PHE  23   6.100  16.742  -4.108
  201    H    MET  24           H        MET  24   6.071  20.243   3.047
  202    HA   MET  24           HA       MET  24   7.617  19.586   5.448
  203    HB2  MET  24           HB2      MET  24   7.683  21.895   6.313
  204    HB3  MET  24           HB3      MET  24   8.623  21.770   4.824
  205    HG2  MET  24           HG2      MET  24   6.820  22.789   3.544
  206    HG3  MET  24           HG3      MET  24   5.761  22.818   4.952
  207    HE1  MET  24           HE1      MET  24   6.441  25.112   2.993
  208    HE2  MET  24           HE2      MET  24   5.287  25.294   4.339
  209    HE3  MET  24           HE3      MET  24   6.563  26.517   4.066
  210    H    LYS  25           H        LYS  25   6.273  20.201   7.465
  211    HA   LYS  25           HA       LYS  25   3.560  19.284   6.951
  212    HB2  LYS  25           HB2      LYS  25   3.411  18.964   9.316
  213    HB3  LYS  25           HB3      LYS  25   4.958  18.366   8.725
  214    HG2  LYS  25           HG2      LYS  25   6.079  20.435   9.566
  215    HG3  LYS  25           HG3      LYS  25   4.508  20.998  10.173
  216    HD2  LYS  25           HD2      LYS  25   4.363  19.050  11.681
  217    HD3  LYS  25           HD3      LYS  25   5.881  18.424  11.036
  218    HE2  LYS  25           HE2      LYS  25   6.329  19.478  13.158
  219    HE3  LYS  25           HE3      LYS  25   7.090  20.427  11.881
  220    HZ1  LYS  25           HZ1      LYS  25   4.499  21.106  13.182
  221    HZ2  LYS  25           HZ2      LYS  25   5.933  21.812  13.525
  222    HZ3  LYS  25           HZ3      LYS  25   5.260  22.026  12.052
  223    H    GLY  26           H        GLY  26   3.883  21.814   5.822
  224    HA2  GLY  26           HA2      GLY  26   1.569  23.237   6.870
  225    HA3  GLY  26           HA3      GLY  26   3.061  24.155   7.021
  226    H    THR  27           H        THR  27   0.977  25.099   5.487
  227    HA   THR  27           HA       THR  27   1.457  24.574   2.626
  228    HB   THR  27           HB       THR  27  -0.329  26.245   2.296
  229    HG1  THR  27           HG1      THR  27  -1.295  27.080   4.232
  230   HG21  THR  27          HG21      THR  27  -2.194  25.116   3.383
  231   HG22  THR  27          HG22      THR  27  -1.044  23.931   2.748
  232   HG23  THR  27          HG23      THR  27  -1.095  24.278   4.499
  233    H    LYS  28           H        LYS  28   1.525  26.672   1.248
  234    HA   LYS  28           HA       LYS  28   3.942  28.149   1.743
  235    HB2  LYS  28           HB2      LYS  28   2.864  27.591  -0.462
  236    HB3  LYS  28           HB3      LYS  28   1.601  28.773  -0.111
  237    HG2  LYS  28           HG2      LYS  28   3.198  30.602  -0.220
  238    HG3  LYS  28           HG3      LYS  28   4.566  29.484  -0.183
  239    HD2  LYS  28           HD2      LYS  28   4.252  30.336  -2.452
  240    HD3  LYS  28           HD3      LYS  28   3.948  28.596  -2.394
  241    HE2  LYS  28           HE2      LYS  28   1.460  29.108  -2.227
  242    HE3  LYS  28           HE3      LYS  28   1.853  30.820  -2.448
  243    HZ1  LYS  28           HZ1      LYS  28   2.881  30.129  -4.618
  244    HZ2  LYS  28           HZ2      LYS  28   2.280  28.607  -4.386
  245    HZ3  LYS  28           HZ3      LYS  28   1.261  29.871  -4.549
  246    H    ASP  29           H        ASP  29   0.612  28.700   2.697
  247    HA   ASP  29           HA       ASP  29   1.045  31.485   3.547
  248    HB2  ASP  29           HB2      ASP  29  -1.094  30.635   2.523
  249    HB3  ASP  29           HB3      ASP  29  -1.345  29.654   3.970
  250    H    PHE  30           H        PHE  30   1.074  28.276   5.008
  251    HA   PHE  30           HA       PHE  30   1.754  29.470   7.667
  252    HB2  PHE  30           HB2      PHE  30   0.404  26.819   7.052
  253    HB3  PHE  30           HB3      PHE  30   0.897  27.368   8.647
  254    HD1  PHE  30           HD1      PHE  30  -0.030  29.863   9.268
  255    HD2  PHE  30           HD2      PHE  30  -1.885  27.055   6.569
  256    HE1  PHE  30           HE1      PHE  30  -2.226  30.965   9.625
  257    HE2  PHE  30           HE2      PHE  30  -4.075  28.163   6.926
  258    HZ   PHE  30           HZ       PHE  30  -4.253  30.114   8.456
  259    HA   PRO  31           HA       PRO  31   5.381  27.149   5.834
  260    HB2  PRO  31           HB2      PRO  31   7.345  29.046   6.141
  261    HB3  PRO  31           HB3      PRO  31   6.232  29.008   4.728
  262    HG2  PRO  31           HG2      PRO  31   5.965  30.658   7.265
  263    HG3  PRO  31           HG3      PRO  31   5.832  31.219   5.569
  264    HD2  PRO  31           HD2      PRO  31   3.626  30.618   7.031
  265    HD3  PRO  31           HD3      PRO  31   3.721  30.198   5.296
  266    H    GLN  32           H        GLN  32   7.124  26.172   6.973
  267    HA   GLN  32           HA       GLN  32   6.529  26.088   9.878
  268    HB2  GLN  32           HB2      GLN  32   8.022  24.176   8.030
  269    HB3  GLN  32           HB3      GLN  32   7.733  23.910   9.747
  270    HG2  GLN  32           HG2      GLN  32   5.553  24.221   7.610
  271    HG3  GLN  32           HG3      GLN  32   6.093  22.709   8.331
  272   HE21  GLN  32          HE22      GLN  32   3.751  25.246   8.701
  273   HE22  GLN  32          HE21      GLN  32   3.266  24.744  10.315
  274    H    CYS  33           H        CYS  33   7.708  27.225  11.219
  275    HA   CYS  33           HA       CYS  33   9.973  28.672  10.558
  276    HB2  CYS  33           HB2      CYS  33   8.973  27.817  13.317
  277    HB3  CYS  33           HB3      CYS  33  10.111  29.135  13.003
  278    HG   CYS  33           HG       CYS  33   8.506  30.423  11.283
  279    H    GLY  34           H        GLY  34  12.117  28.626  11.054
  280    HA2  GLY  34           HA2      GLY  34  14.212  27.589  11.628
  281    HA3  GLY  34           HA3      GLY  34  13.409  26.005  11.714
  282    H    PHE  35           H        PHE  35  14.798  25.036  10.227
  283    HA   PHE  35           HA       PHE  35  15.915  26.159   7.986
  284    HB2  PHE  35           HB2      PHE  35  15.161  23.228   8.295
  285    HB3  PHE  35           HB3      PHE  35  16.425  23.889   7.260
  286    HD1  PHE  35           HD2      PHE  35  18.281  25.347   8.484
  287    HD2  PHE  35           HD1      PHE  35  15.792  22.400  10.416
  288    HE1  PHE  35           HE2      PHE  35  19.937  25.150  10.318
  289    HE2  PHE  35           HE1      PHE  35  17.457  22.203  12.246
  290    HZ   PHE  35           HZ       PHE  35  19.525  23.585  12.203
  291    H    SER  36           H        SER  36  12.735  24.409   7.938
  292    HA   SER  36           HA       SER  36  12.459  24.478   5.098
  293    HB2  SER  36           HB2      SER  36  10.294  24.461   7.227
  294    HB3  SER  36           HB3      SER  36  10.109  23.984   5.518
  295    HG   SER  36           HG       SER  36  10.606  22.277   7.203
  296    H    GLN  37           H        GLN  37  11.129  26.852   7.517
  297    HA   GLN  37           HA       GLN  37  10.148  28.730   5.622
  298    HB2  GLN  37           HB2      GLN  37   9.763  28.799   8.102
  299    HB3  GLN  37           HB3      GLN  37  11.451  29.296   8.323
  300    HG2  GLN  37           HG2      GLN  37  10.872  31.283   6.772
  301    HG3  GLN  37           HG3      GLN  37   9.186  30.810   6.950
  302   HE21  GLN  37          HE22      GLN  37  11.383  32.978   8.080
  303   HE22  GLN  37          HE21      GLN  37  10.783  33.176   9.733
  304    H    THR  38           H        THR  38  13.482  28.456   7.058
  305    HA   THR  38           HA       THR  38  14.623  30.579   5.604
  306    HB   THR  38           HB       THR  38  16.071  28.012   6.352
  307    HG1  THR  38           HG1      THR  38  16.462  29.249   8.303
  308   HG21  THR  38          HG21      THR  38  17.364  29.646   4.962
  309   HG22  THR  38          HG22      THR  38  16.995  30.920   6.134
  310   HG23  THR  38          HG23      THR  38  18.004  29.533   6.605
  311    H    VAL  39           H        VAL  39  14.328  27.143   4.603
  312    HA   VAL  39           HA       VAL  39  15.507  27.470   2.039
  313    HB   VAL  39           HB       VAL  39  13.485  25.456   3.032
  314   HG11  VAL  39          HG11      VAL  39  14.115  24.132   0.966
  315   HG12  VAL  39          HG12      VAL  39  13.077  25.524   0.649
  316   HG13  VAL  39          HG13      VAL  39  14.812  25.615   0.293
  317   HG21  VAL  39          HG21      VAL  39  16.456  25.335   2.347
  318   HG22  VAL  39          HG22      VAL  39  15.777  25.320   3.970
  319   HG23  VAL  39          HG23      VAL  39  15.455  23.966   2.882
  320    H    VAL  40           H        VAL  40  12.056  27.867   3.025
  321    HA   VAL  40           HA       VAL  40  11.062  28.545   0.429
  322    HB   VAL  40           HB       VAL  40  10.148  29.189   3.237
  323   HG11  VAL  40          HG11      VAL  40   9.424  31.183   2.128
  324   HG12  VAL  40          HG12      VAL  40   8.909  30.277   0.699
  325   HG13  VAL  40          HG13      VAL  40   8.023  30.113   2.237
  326   HG21  VAL  40          HG21      VAL  40   8.911  27.581   0.963
  327   HG22  VAL  40          HG22      VAL  40   9.803  26.909   2.340
  328   HG23  VAL  40          HG23      VAL  40   8.271  27.742   2.614
  329    H    GLN  41           H        GLN  41  12.425  30.703   2.992
  330    HA   GLN  41           HA       GLN  41  12.256  33.127   1.435
  331    HB2  GLN  41           HB2      GLN  41  14.003  32.309   3.803
  332    HB3  GLN  41           HB3      GLN  41  14.004  33.923   3.088
  333    HG2  GLN  41           HG2      GLN  41  11.596  34.181   3.586
  334    HG3  GLN  41           HG3      GLN  41  11.556  32.559   4.295
  335   HE21  GLN  41          HE22      GLN  41  13.440  35.683   4.659
  336   HE22  GLN  41          HE21      GLN  41  13.484  35.563   6.410
  337    H    ILE  42           H        ILE  42  14.839  30.677   1.729
  338    HA   ILE  42           HA       ILE  42  16.856  31.966   0.223
  339    HB   ILE  42           HB       ILE  42  16.187  29.200   1.091
  340   HG12  ILE  42          HG12      ILE  42  18.714  30.869   1.249
  341   HG13  ILE  42          HG13      ILE  42  17.424  30.881   2.442
  342   HG21  ILE  42          HG21      ILE  42  18.302  29.541  -1.029
  343   HG22  ILE  42          HG22      ILE  42  18.027  28.078  -0.039
  344   HG23  ILE  42          HG23      ILE  42  16.805  28.595  -1.170
  345   HD11  ILE  42          HD11      ILE  42  17.798  28.413   2.808
  346   HD12  ILE  42          HD12      ILE  42  19.240  28.539   1.771
  347   HD13  ILE  42          HD13      ILE  42  19.163  29.462   3.277
  348    H    LEU  43           H        LEU  43  14.340  29.726  -1.077
  349    HA   LEU  43           HA       LEU  43  15.264  29.948  -3.808
  350    HB2  LEU  43           HB2      LEU  43  12.501  29.355  -2.635
  351    HB3  LEU  43           HB3      LEU  43  12.924  29.151  -4.333
  352    HG   LEU  43           HG       LEU  43  14.229  27.622  -2.029
  353   HD11  LEU  43          HD11      LEU  43  12.849  25.736  -2.842
  354   HD12  LEU  43          HD12      LEU  43  11.844  27.084  -2.303
  355   HD13  LEU  43          HD13      LEU  43  12.088  26.808  -4.037
  356   HD21  LEU  43          HD21      LEU  43  14.504  27.378  -5.055
  357   HD22  LEU  43          HD22      LEU  43  15.776  27.800  -3.889
  358   HD23  LEU  43          HD23      LEU  43  15.098  26.179  -3.890
  359    H    LYS  44           H        LYS  44  12.666  31.622  -2.057
  360    HA   LYS  44           HA       LYS  44  11.801  33.337  -4.101
  361    HB2  LYS  44           HB2      LYS  44  10.821  32.811  -1.819
  362    HB3  LYS  44           HB3      LYS  44  11.946  33.977  -1.116
  363    HG2  LYS  44           HG2      LYS  44  10.913  35.789  -2.408
  364    HG3  LYS  44           HG3      LYS  44   9.930  34.622  -3.320
  365    HD2  LYS  44           HD2      LYS  44   8.818  33.899  -1.218
  366    HD3  LYS  44           HD3      LYS  44   9.768  35.098  -0.304
  367    HE2  LYS  44           HE2      LYS  44   8.774  36.909  -1.756
  368    HE3  LYS  44           HE3      LYS  44   7.786  35.682  -2.563
  369    HZ1  LYS  44           HZ1      LYS  44   6.545  36.786  -0.813
  370    HZ2  LYS  44           HZ2      LYS  44   6.739  35.217  -0.401
  371    HZ3  LYS  44           HZ3      LYS  44   7.642  36.382   0.323
  372    H    SER  45           H        SER  45  14.263  34.021  -1.613
  373    HA   SER  45           HA       SER  45  15.106  36.565  -2.604
  374    HB2  SER  45           HB2      SER  45  16.667  34.667  -0.815
  375    HB3  SER  45           HB3      SER  45  16.896  36.411  -0.985
  376    HG   SER  45           HG       SER  45  14.801  34.972   0.232
  377    H    LEU  46           H        LEU  46  16.399  33.279  -3.294
  378    HA   LEU  46           HA       LEU  46  18.746  34.017  -4.708
  379    HB2  LEU  46           HB2      LEU  46  18.185  31.706  -4.065
  380    HB3  LEU  46           HB3      LEU  46  16.755  31.739  -5.080
  381    HG   LEU  46           HG       LEU  46  18.172  31.872  -7.108
  382   HD11  LEU  46          HD11      LEU  46  20.580  31.415  -6.945
  383   HD12  LEU  46          HD12      LEU  46  20.203  32.932  -6.125
  384   HD13  LEU  46          HD13      LEU  46  20.504  31.458  -5.170
  385   HD21  LEU  46          HD21      LEU  46  18.831  29.546  -5.254
  386   HD22  LEU  46          HD22      LEU  46  17.351  29.713  -6.228
  387   HD23  LEU  46          HD23      LEU  46  18.920  29.544  -7.032
  388    H    ASN  47           H        ASN  47  15.384  34.023  -5.573
  389    HA   ASN  47           HA       ASN  47  14.421  35.848  -6.685
  390    HB2  ASN  47           HB2      ASN  47  16.562  36.884  -7.435
  391    HB3  ASN  47           HB3      ASN  47  16.588  35.766  -8.801
  392   HD21  ASN  47          HD21      ASN  47  16.621  37.860 -10.037
  393   HD22  ASN  47          HD22      ASN  47  15.071  38.602 -10.398
  394    H    ALA  48           H        ALA  48  13.364  33.648  -6.429
  395    HA   ALA  48           HA       ALA  48  12.591  32.664  -9.134
  396    HB1  ALA  48           HB1      ALA  48  13.206  30.317  -8.541
  397    HB2  ALA  48           HB2      ALA  48  14.619  31.386  -8.560
  398    HB3  ALA  48           HB3      ALA  48  13.897  30.887  -7.019
  399    HA   PRO  49           HA       PRO  49   8.718  31.638  -7.086
  400    HB2  PRO  49           HB2      PRO  49   7.540  30.070  -8.965
  401    HB3  PRO  49           HB3      PRO  49   7.780  31.822  -9.217
  402    HG2  PRO  49           HG2      PRO  49   9.528  29.546 -10.204
  403    HG3  PRO  49           HG3      PRO  49   8.887  30.933 -11.144
  404    HD2  PRO  49           HD2      PRO  49  11.406  30.937 -10.090
  405    HD3  PRO  49           HD3      PRO  49  10.422  32.425 -10.187
  406    H    PHE  50           H        PHE  50   7.589  29.718  -6.318
  407    HA   PHE  50           HA       PHE  50   8.912  27.128  -6.183
  408    HB2  PHE  50           HB2      PHE  50   9.546  27.205  -3.883
  409    HB3  PHE  50           HB3      PHE  50  10.235  28.657  -4.600
  410    HD1  PHE  50           HD2      PHE  50   8.979  30.891  -4.299
  411    HD2  PHE  50           HD1      PHE  50   8.117  27.349  -1.987
  412    HE1  PHE  50           HE2      PHE  50   7.728  32.266  -2.661
  413    HE2  PHE  50           HE1      PHE  50   6.885  28.738  -0.336
  414    HZ   PHE  50           HZ       PHE  50   6.664  31.191  -0.684
  415    H    GLU  51           H        GLU  51   7.615  25.604  -4.786
  416    HA   GLU  51           HA       GLU  51   5.023  26.708  -3.864
  417    HB2  GLU  51           HB2      GLU  51   4.677  25.697  -6.120
  418    HB3  GLU  51           HB3      GLU  51   5.198  24.134  -5.482
  419    HG2  GLU  51           HG2      GLU  51   2.712  24.413  -5.620
  420    HG3  GLU  51           HG3      GLU  51   3.277  24.041  -3.995
  421    H    SER  52           H        SER  52   4.015  25.547  -2.138
  422    HA   SER  52           HA       SER  52   5.974  23.864  -0.579
  423    HB2  SER  52           HB2      SER  52   3.964  25.878   0.423
  424    HB3  SER  52           HB3      SER  52   4.868  24.761   1.453
  425    HG   SER  52           HG       SER  52   6.078  26.598  -0.354
  426    H    VAL  53           H        VAL  53   5.308  21.802  -0.435
  427    HA   VAL  53           HA       VAL  53   2.401  21.124  -0.630
  428    HB   VAL  53           HB       VAL  53   4.889  19.404  -0.790
  429   HG11  VAL  53          HG11      VAL  53   3.243  17.549  -1.367
  430   HG12  VAL  53          HG12      VAL  53   3.184  18.056   0.322
  431   HG13  VAL  53          HG13      VAL  53   1.942  18.618  -0.816
  432   HG21  VAL  53          HG21      VAL  53   2.702  20.030  -2.831
  433   HG22  VAL  53          HG22      VAL  53   4.315  20.757  -2.819
  434   HG23  VAL  53          HG23      VAL  53   4.135  19.019  -3.103
  435    H    ASN  54           H        ASN  54   1.264  20.836   1.109
  436    HA   ASN  54           HA       ASN  54   2.422  20.836   3.782
  437    HB2  ASN  54           HB2      ASN  54   0.472  22.189   3.190
  438    HB3  ASN  54           HB3      ASN  54  -0.439  20.740   2.758
  439   HD21  ASN  54          HD21      ASN  54  -2.071  21.417   4.352
  440   HD22  ASN  54          HD22      ASN  54  -1.765  21.154   6.057
  441    H    ILE  55           H        ILE  55   3.469  18.921   4.137
  442    HA   ILE  55           HA       ILE  55   2.155  16.296   3.747
  443    HB   ILE  55           HB       ILE  55   4.173  15.284   4.321
  444   HG12  ILE  55          HG12      ILE  55   4.911  17.750   5.878
  445   HG13  ILE  55          HG13      ILE  55   4.688  16.113   6.452
  446   HG21  ILE  55          HG21      ILE  55   4.226  16.721   2.220
  447   HG22  ILE  55          HG22      ILE  55   5.161  17.917   3.143
  448   HG23  ILE  55          HG23      ILE  55   5.802  16.289   2.888
  449   HD11  ILE  55          HD11      ILE  55   6.722  15.400   5.219
  450   HD12  ILE  55          HD12      ILE  55   7.020  17.107   4.788
  451   HD13  ILE  55          HD13      ILE  55   7.027  16.605   6.487
  452    H    LEU  56           H        LEU  56   2.392  14.738   5.762
  453    HA   LEU  56           HA       LEU  56   1.961  14.082   7.870
  454    HB2  LEU  56           HB2      LEU  56   3.216  16.628   8.227
  455    HB3  LEU  56           HB3      LEU  56   1.825  16.667   9.276
  456    HG   LEU  56           HG       LEU  56   3.770  15.986  10.463
  457   HD11  LEU  56          HD11      LEU  56   3.033  13.897  11.487
  458   HD12  LEU  56          HD12      LEU  56   1.622  14.904  11.113
  459   HD13  LEU  56          HD13      LEU  56   2.016  13.508  10.088
  460   HD21  LEU  56          HD21      LEU  56   5.067  13.962   9.940
  461   HD22  LEU  56          HD22      LEU  56   4.059  13.652   8.510
  462   HD23  LEU  56          HD23      LEU  56   5.089  15.091   8.578
  463    H    GLU  57           H        GLU  57   0.166  17.116   7.360
  464    HA   GLU  57           HA       GLU  57  -2.043  16.434   9.038
  465    HB2  GLU  57           HB2      GLU  57  -1.850  18.407   6.723
  466    HB3  GLU  57           HB3      GLU  57  -3.174  18.347   7.885
  467    HG2  GLU  57           HG2      GLU  57  -0.252  18.927   8.563
  468    HG3  GLU  57           HG3      GLU  57  -1.530  20.124   8.395
  469    H    ASN  58           H        ASN  58  -1.659  16.144   5.481
  470    HA   ASN  58           HA       ASN  58  -4.299  14.857   5.173
  471    HB2  ASN  58           HB2      ASN  58  -3.571  16.523   3.547
  472    HB3  ASN  58           HB3      ASN  58  -2.100  15.614   3.202
  473   HD21  ASN  58          HD22      ASN  58  -5.482  15.956   2.407
  474   HD22  ASN  58          HD21      ASN  58  -5.543  14.584   1.317
  475    H    GLU  59           H        GLU  59  -4.613  12.709   5.196
  476    HA   GLU  59           HA       GLU  59  -2.584  10.895   5.932
  477    HB2  GLU  59           HB2      GLU  59  -5.293  10.179   4.735
  478    HB3  GLU  59           HB3      GLU  59  -4.264   9.178   5.746
  479    HG2  GLU  59           HG2      GLU  59  -5.639   9.867   7.392
  480    HG3  GLU  59           HG3      GLU  59  -4.563  11.252   7.463
  481    H    LEU  60           H        LEU  60  -4.030  11.422   2.669
  482    HA   LEU  60           HA       LEU  60  -2.808   9.184   1.406
  483    HB2  LEU  60           HB2      LEU  60  -4.750  10.507   0.524
  484    HB3  LEU  60           HB3      LEU  60  -3.675  11.872   0.239
  485    HG   LEU  60           HG       LEU  60  -2.366  10.469  -1.375
  486   HD11  LEU  60          HD11      LEU  60  -3.470   8.435  -2.301
  487   HD12  LEU  60          HD12      LEU  60  -2.932   8.205  -0.631
  488   HD13  LEU  60          HD13      LEU  60  -4.652   8.488  -0.980
  489   HD21  LEU  60          HD21      LEU  60  -4.080  12.062  -2.135
  490   HD22  LEU  60          HD22      LEU  60  -4.015  10.641  -3.189
  491   HD23  LEU  60          HD23      LEU  60  -5.327  10.798  -2.001
  492    H    LEU  61           H        LEU  61  -1.695  12.554   1.809
  493    HA   LEU  61           HA       LEU  61   0.883  12.149   0.522
  494    HB2  LEU  61           HB2      LEU  61  -0.304  14.250   2.367
  495    HB3  LEU  61           HB3      LEU  61   1.431  14.194   2.091
  496    HG   LEU  61           HG       LEU  61   1.097  14.385  -0.351
  497   HD11  LEU  61          HD11      LEU  61  -1.822  14.992   0.303
  498   HD12  LEU  61          HD12      LEU  61  -1.044  15.139  -1.282
  499   HD13  LEU  61          HD13      LEU  61  -1.253  13.546  -0.557
  500   HD21  LEU  61          HD21      LEU  61   1.560  16.357   1.068
  501   HD22  LEU  61          HD22      LEU  61   0.526  16.779  -0.309
  502   HD23  LEU  61          HD23      LEU  61  -0.189  16.593   1.305
  503    H    ARG  62           H        ARG  62  -0.116  12.049   3.988
  504    HA   ARG  62           HA       ARG  62   2.349  11.445   5.137
  505    HB2  ARG  62           HB2      ARG  62   0.100  11.909   6.246
  506    HB3  ARG  62           HB3      ARG  62  -0.296  10.206   5.981
  507    HG2  ARG  62           HG2      ARG  62   1.855   9.676   7.311
  508    HG3  ARG  62           HG3      ARG  62   1.886  11.401   7.732
  509    HD2  ARG  62           HD2      ARG  62  -0.335   9.395   8.328
  510    HD3  ARG  62           HD3      ARG  62   0.812  10.062   9.501
  511    HE   ARG  62           HE       ARG  62  -0.291  12.348   8.611
  512   HH11  ARG  62          HH11      ARG  62  -1.948   9.411   9.727
  513   HH12  ARG  62          HH12      ARG  62  -3.362  10.304  10.188
  514   HH21  ARG  62          HH21      ARG  62  -2.083  13.393   9.157
  515   HH22  ARG  62          HH22      ARG  62  -3.448  12.574   9.874
  516    H    GLN  63           H        GLN  63   0.059   9.118   3.649
  517    HA   GLN  63           HA       GLN  63   1.762   6.807   4.166
  518    HB2  GLN  63           HB2      GLN  63  -0.756   6.863   4.142
  519    HB3  GLN  63           HB3      GLN  63  -0.711   7.158   2.394
  520    HG2  GLN  63           HG2      GLN  63   0.395   4.979   2.045
  521    HG3  GLN  63           HG3      GLN  63   0.474   4.721   3.792
  522   HE21  GLN  63          HE22      GLN  63  -1.663   4.494   4.982
  523   HE22  GLN  63          HE21      GLN  63  -3.026   3.861   4.078
  524    H    GLY  64           H        GLY  64   1.144   8.869   1.266
  525    HA2  GLY  64           HA2      GLY  64   2.567   7.028  -0.499
  526    HA3  GLY  64           HA3      GLY  64   1.808   8.575  -0.915
  527    H    LEU  65           H        LEU  65   3.505   9.941   1.241
  528    HA   LEU  65           HA       LEU  65   5.880  10.464  -0.391
  529    HB2  LEU  65           HB2      LEU  65   4.980  11.434   2.349
  530    HB3  LEU  65           HB3      LEU  65   6.442  12.000   1.560
  531    HG   LEU  65           HG       LEU  65   3.653  12.304   0.351
  532   HD11  LEU  65          HD11      LEU  65   3.919  13.617   2.418
  533   HD12  LEU  65          HD12      LEU  65   5.430  14.310   1.778
  534   HD13  LEU  65          HD13      LEU  65   3.871  14.665   0.990
  535   HD21  LEU  65          HD21      LEU  65   5.338  12.303  -1.414
  536   HD22  LEU  65          HD22      LEU  65   4.791  13.948  -1.124
  537   HD23  LEU  65          HD23      LEU  65   6.362  13.426  -0.492
  538    H    LYS  66           H        LYS  66   7.997  10.649   0.973
  539    HA   LYS  66           HA       LYS  66   9.872   9.557   1.646
  540    HB2  LYS  66           HB2      LYS  66   8.472   8.847   3.646
  541    HB3  LYS  66           HB3      LYS  66   8.154   7.322   2.805
  542    HG2  LYS  66           HG2      LYS  66  10.638   6.925   2.663
  543    HG3  LYS  66           HG3      LYS  66  10.886   8.420   3.573
  544    HD2  LYS  66           HD2      LYS  66  11.082   6.565   5.080
  545    HD3  LYS  66           HD3      LYS  66   9.614   7.464   5.489
  546    HE2  LYS  66           HE2      LYS  66   8.236   5.777   4.294
  547    HE3  LYS  66           HE3      LYS  66   9.701   4.915   3.791
  548    HZ1  LYS  66           HZ1      LYS  66   8.810   5.271   6.607
  549    HZ2  LYS  66           HZ2      LYS  66   8.694   3.889   5.743
  550    HZ3  LYS  66           HZ3      LYS  66  10.162   4.474   6.146
  551    H    GLU  67           H        GLU  67   7.478   7.203   0.488
  552    HA   GLU  67           HA       GLU  67   9.300   5.645  -1.136
  553    HB2  GLU  67           HB2      GLU  67   6.259   5.900  -1.269
  554    HB3  GLU  67           HB3      GLU  67   7.227   4.649  -2.045
  555    HG2  GLU  67           HG2      GLU  67   6.890   5.087   0.954
  556    HG3  GLU  67           HG3      GLU  67   6.188   3.796  -0.007
  557    H    TYR  68           H        TYR  68   7.039   8.358  -1.907
  558    HA   TYR  68           HA       TYR  68   7.277   8.260  -4.707
  559    HB2  TYR  68           HB2      TYR  68   5.549   9.522  -3.617
  560    HB3  TYR  68           HB3      TYR  68   6.717  10.544  -2.790
  561    HD1  TYR  68           HD1      TYR  68   5.619   9.590  -6.268
  562    HD2  TYR  68           HD2      TYR  68   7.300  12.637  -3.719
  563    HE1  TYR  68           HE1      TYR  68   5.544  11.197  -8.154
  564    HE2  TYR  68           HE2      TYR  68   7.233  14.245  -5.602
  565    HH   TYR  68           HH       TYR  68   5.981  13.349  -8.845
  566    H    SER  69           H        SER  69   9.228  10.337  -2.463
  567    HA   SER  69           HA       SER  69  10.934  11.168  -4.746
  568    HB2  SER  69           HB2      SER  69  11.736  12.868  -3.281
  569    HB3  SER  69           HB3      SER  69   9.979  12.825  -3.152
  570    HG   SER  69           HG       SER  69  11.285  12.965  -1.169
  571    H    SER  70           H        SER  70  11.120   8.870  -2.199
  572    HA   SER  70           HA       SER  70  12.594   7.288  -1.644
  573    HB2  SER  70           HB2      SER  70  14.646   6.832  -2.697
  574    HB3  SER  70           HB3      SER  70  13.518   7.335  -3.955
  575    HG   SER  70           HG       SER  70  14.460   9.471  -3.682
  576    H    TRP  71           H        TRP  71  13.003  10.581  -0.965
  577    HA   TRP  71           HA       TRP  71  15.319  10.427   0.722
  578    HB2  TRP  71           HB2      TRP  71  14.501  12.526  -0.203
  579    HB3  TRP  71           HB3      TRP  71  12.997  12.376   0.703
  580    HD1  TRP  71           HD1      TRP  71  12.969  13.287   3.101
  581    HE1  TRP  71           HE1      TRP  71  14.642  14.395   4.679
  582    HE3  TRP  71           HE3      TRP  71  17.265  12.254   0.553
  583    HZ2  TRP  71           HZ2      TRP  71  17.505  14.760   4.844
  584    HZ3  TRP  71           HZ3      TRP  71  19.473  12.938   1.467
  585    HH2  TRP  71           HH2      TRP  71  19.607  14.181   3.612
  586    HA   PRO  72           HA       PRO  72  13.415   8.027   3.882
  587    HB2  PRO  72           HB2      PRO  72  15.266   8.198   5.925
  588    HB3  PRO  72           HB3      PRO  72  15.516   7.275   4.409
  589    HG2  PRO  72           HG2      PRO  72  16.452  10.085   5.078
  590    HG3  PRO  72           HG3      PRO  72  17.401   8.741   4.367
  591    HD2  PRO  72           HD2      PRO  72  16.327  10.660   2.811
  592    HD3  PRO  72           HD3      PRO  72  16.321   8.956   2.274
  593    H    THR  73           H        THR  73  14.413  11.309   4.985
  594    HA   THR  73           HA       THR  73  12.181  11.305   6.985
  595    HB   THR  73           HB       THR  73  13.779  12.367   8.613
  596    HG1  THR  73           HG1      THR  73  15.339  12.776   6.968
  597   HG21  THR  73          HG21      THR  73  14.718  10.289   9.431
  598   HG22  THR  73          HG22      THR  73  13.091   9.975   8.803
  599   HG23  THR  73          HG23      THR  73  14.518   9.509   7.850
  600    H    PHE  74           H        PHE  74  10.988  12.666   5.780
  601    HA   PHE  74           HA       PHE  74  11.763  15.182   4.686
  602    HB2  PHE  74           HB2      PHE  74   9.144  13.943   5.604
  603    HB3  PHE  74           HB3      PHE  74   9.218  15.594   5.041
  604    HD1  PHE  74           HD2      PHE  74  10.751  12.366   3.655
  605    HD2  PHE  74           HD1      PHE  74   8.197  15.790   3.017
  606    HE1  PHE  74           HE2      PHE  74  10.449  11.709   1.299
  607    HE2  PHE  74           HE1      PHE  74   7.832  15.058   0.674
  608    HZ   PHE  74           HZ       PHE  74   8.958  13.030  -0.189
  609    HA   PRO  75           HA       PRO  75  10.150  17.680   4.862
  610    HB2  PRO  75           HB2      PRO  75  12.156  19.662   5.969
  611    HB3  PRO  75           HB3      PRO  75  10.584  20.006   5.193
  612    HG2  PRO  75           HG2      PRO  75  10.774  20.082   7.863
  613    HG3  PRO  75           HG3      PRO  75   9.406  19.166   7.139
  614    HD2  PRO  75           HD2      PRO  75  12.056  18.094   8.161
  615    HD3  PRO  75           HD3      PRO  75  10.404  17.508   8.497
  616    H    GLN  76           H        GLN  76  11.119  18.576   2.887
  617    HA   GLN  76           HA       GLN  76  13.913  18.427   2.305
  618    HB2  GLN  76           HB2      GLN  76  13.883  16.507   0.686
  619    HB3  GLN  76           HB3      GLN  76  13.724  16.061   2.359
  620    HG2  GLN  76           HG2      GLN  76  12.092  14.716   1.614
  621    HG3  GLN  76           HG3      GLN  76  11.072  16.127   1.748
  622   HE21  GLN  76          HE22      GLN  76  10.975  17.501  -0.428
  623   HE22  GLN  76          HE21      GLN  76  10.874  16.486  -1.868
  624    H    LEU  77           H        LEU  77  14.476  19.085   0.204
  625    HA   LEU  77           HA       LEU  77  12.324  20.475  -1.305
  626    HB2  LEU  77           HB2      LEU  77  14.255  21.770  -0.537
  627    HB3  LEU  77           HB3      LEU  77  15.366  20.736  -1.410
  628    HG   LEU  77           HG       LEU  77  13.154  22.052  -2.991
  629   HD11  LEU  77          HD11      LEU  77  15.616  23.571  -2.065
  630   HD12  LEU  77          HD12      LEU  77  14.408  24.117  -3.241
  631   HD13  LEU  77          HD13      LEU  77  13.938  23.883  -1.548
  632   HD21  LEU  77          HD21      LEU  77  14.818  20.619  -4.189
  633   HD22  LEU  77          HD22      LEU  77  14.945  22.310  -4.684
  634   HD23  LEU  77          HD23      LEU  77  16.129  21.637  -3.557
  635    H    TYR  78           H        TYR  78  11.987  20.172  -3.452
  636    HA   TYR  78           HA       TYR  78  13.048  17.740  -4.808
  637    HB2  TYR  78           HB2      TYR  78  10.860  17.495  -3.444
  638    HB3  TYR  78           HB3      TYR  78  10.148  18.595  -4.604
  639    HD1  TYR  78           HD1      TYR  78  11.988  15.341  -4.336
  640    HD2  TYR  78           HD2      TYR  78   9.045  17.642  -6.468
  641    HE1  TYR  78           HE1      TYR  78  11.474  13.357  -5.750
  642    HE2  TYR  78           HE2      TYR  78   8.447  15.635  -7.808
  643    HH   TYR  78           HH       TYR  78   8.846  13.402  -8.168
  644    H    ILE  79           H        ILE  79  13.247  17.950  -7.035
  645    HA   ILE  79           HA       ILE  79  12.314  20.423  -8.402
  646    HB   ILE  79           HB       ILE  79  14.715  20.490  -9.404
  647   HG12  ILE  79          HG12      ILE  79  15.448  19.304  -6.687
  648   HG13  ILE  79          HG13      ILE  79  15.570  18.439  -8.223
  649   HG21  ILE  79          HG21      ILE  79  13.603  22.259  -8.141
  650   HG22  ILE  79          HG22      ILE  79  14.131  21.534  -6.616
  651   HG23  ILE  79          HG23      ILE  79  15.320  22.209  -7.753
  652   HD11  ILE  79          HD11      ILE  79  17.142  20.910  -7.417
  653   HD12  ILE  79          HD12      ILE  79  17.742  19.263  -7.668
  654   HD13  ILE  79          HD13      ILE  79  17.151  20.206  -9.052
  655    H    ASP  80           H        ASP  80  11.582  20.064 -10.340
  656    HA   ASP  80           HA       ASP  80  10.973  19.030 -12.266
  657    HB2  ASP  80           HB2      ASP  80  13.237  20.070 -12.586
  658    HB3  ASP  80           HB3      ASP  80  13.953  18.470 -12.403
  659    H    GLY  81           H        GLY  81  10.914  17.092  -9.956
  660    HA2  GLY  81           HA2      GLY  81   9.904  14.933  -9.993
  661    HA3  GLY  81           HA3      GLY  81  10.677  14.574 -11.547
  662    H    GLU  82           H        GLU  82  12.874  15.934  -9.225
  663    HA   GLU  82           HA       GLU  82  13.586  13.294  -8.065
  664    HB2  GLU  82           HB2      GLU  82  14.944  13.753 -10.138
  665    HB3  GLU  82           HB3      GLU  82  15.585  15.203  -9.361
  666    HG2  GLU  82           HG2      GLU  82  16.657  13.859  -7.631
  667    HG3  GLU  82           HG3      GLU  82  15.843  12.393  -8.202
  668    H    PHE  83           H        PHE  83  14.751  13.424  -6.029
  669    HA   PHE  83           HA       PHE  83  14.070  15.854  -4.536
  670    HB2  PHE  83           HB2      PHE  83  14.278  14.618  -2.630
  671    HB3  PHE  83           HB3      PHE  83  13.781  13.380  -3.763
  672    HD1  PHE  83           HD1      PHE  83  15.545  11.767  -4.707
  673    HD2  PHE  83           HD2      PHE  83  16.378  14.577  -1.549
  674    HE1  PHE  83           HE1      PHE  83  17.661  10.576  -4.201
  675    HE2  PHE  83           HE2      PHE  83  18.515  13.438  -1.085
  676    HZ   PHE  83           HZ       PHE  83  19.170  11.422  -2.418
  677    H    PHE  84           H        PHE  84  15.474  17.151  -3.377
  678    HA   PHE  84           HA       PHE  84  18.290  17.275  -4.365
  679    HB2  PHE  84           HB2      PHE  84  16.819  19.270  -4.545
  680    HB3  PHE  84           HB3      PHE  84  16.622  19.276  -2.797
  681    HD1  PHE  84           HD1      PHE  84  18.508  19.928  -1.312
  682    HD2  PHE  84           HD2      PHE  84  18.912  19.934  -5.609
  683    HE1  PHE  84           HE1      PHE  84  20.641  21.184  -1.114
  684    HE2  PHE  84           HE2      PHE  84  21.028  21.227  -5.390
  685    HZ   PHE  84           HZ       PHE  84  21.900  21.818  -3.176
  686    H    GLY  85           H        GLY  85  16.399  17.339  -1.315
  687    HA2  GLY  85           HA2      GLY  85  17.538  15.603   0.349
  688    HA3  GLY  85           HA3      GLY  85  18.813  16.816   0.338
  689    H    GLY  86           H        GLY  86  18.141  16.632   2.689
  690    HA2  GLY  86           HA2      GLY  86  15.698  17.726   3.680
  691    HA3  GLY  86           HA3      GLY  86  17.191  17.529   4.600
  692    H    CYS  87           H        CYS  87  15.483  19.659   5.076
  693    HA   CYS  87           HA       CYS  87  16.057  21.979   3.515
  694    HB2  CYS  87           HB2      CYS  87  14.920  21.653   6.331
  695    HB3  CYS  87           HB3      CYS  87  14.990  23.197   5.450
  696    HG   CYS  87           HG       CYS  87  12.545  22.020   5.361
  697    H    ASP  88           H        ASP  88  17.597  20.893   6.584
  698    HA   ASP  88           HA       ASP  88  19.370  23.116   6.881
  699    HB2  ASP  88           HB2      ASP  88  19.032  21.502   8.650
  700    HB3  ASP  88           HB3      ASP  88  19.634  20.186   7.643
  701    H    ILE  89           H        ILE  89  19.802  20.040   5.090
  702    HA   ILE  89           HA       ILE  89  22.399  20.608   3.997
  703    HB   ILE  89           HB       ILE  89  20.120  18.894   2.906
  704   HG12  ILE  89          HG12      ILE  89  22.668  18.102   4.406
  705   HG13  ILE  89          HG13      ILE  89  21.090  18.266   5.168
  706   HG21  ILE  89          HG21      ILE  89  21.653  19.492   1.059
  707   HG22  ILE  89          HG22      ILE  89  23.046  18.961   2.033
  708   HG23  ILE  89          HG23      ILE  89  21.822  17.802   1.473
  709   HD11  ILE  89          HD11      ILE  89  21.838  16.220   3.052
  710   HD12  ILE  89          HD12      ILE  89  21.453  15.945   4.755
  711   HD13  ILE  89          HD13      ILE  89  20.183  16.503   3.652
  712    H    THR  90           H        THR  90  19.150  21.414   2.799
  713    HA   THR  90           HA       THR  90  19.942  22.731   0.371
  714    HB   THR  90           HB       THR  90  17.483  23.198   2.091
  715    HG1  THR  90           HG1      THR  90  17.634  21.051   1.424
  716   HG21  THR  90          HG21      THR  90  17.788  24.995   0.384
  717   HG22  THR  90          HG22      THR  90  17.981  23.736  -0.861
  718   HG23  THR  90          HG23      THR  90  16.441  23.922  -0.005
  719    H    VAL  91           H        VAL  91  19.388  24.056   3.662
  720    HA   VAL  91           HA       VAL  91  20.007  26.758   3.022
  721    HB   VAL  91           HB       VAL  91  20.331  25.232   5.631
  722   HG11  VAL  91          HG11      VAL  91  20.634  28.231   5.154
  723   HG12  VAL  91          HG12      VAL  91  20.445  27.467   6.750
  724   HG13  VAL  91          HG13      VAL  91  21.878  27.124   5.782
  725   HG21  VAL  91          HG21      VAL  91  18.299  26.419   6.293
  726   HG22  VAL  91          HG22      VAL  91  18.288  27.336   4.780
  727   HG23  VAL  91          HG23      VAL  91  17.992  25.597   4.762
  728    H    GLU  92           H        GLU  92  22.264  24.120   4.065
  729    HA   GLU  92           HA       GLU  92  24.609  25.813   3.861
  730    HB2  GLU  92           HB2      GLU  92  24.315  22.788   3.894
  731    HB3  GLU  92           HB3      GLU  92  25.848  23.653   4.001
  732    HG2  GLU  92           HG2      GLU  92  23.572  23.820   6.024
  733    HG3  GLU  92           HG3      GLU  92  25.075  22.932   6.214
  734    H    ALA  93           H        ALA  93  22.981  23.661   1.507
  735    HA   ALA  93           HA       ALA  93  24.968  23.837  -0.539
  736    HB1  ALA  93           HB1      ALA  93  23.198  22.133  -0.481
  737    HB2  ALA  93           HB2      ALA  93  21.956  23.394  -0.687
  738    HB3  ALA  93           HB3      ALA  93  23.132  23.081  -1.980
  739    H    TYR  94           H        TYR  94  22.183  25.978   0.221
  740    HA   TYR  94           HA       TYR  94  22.524  27.785  -1.987
  741    HB2  TYR  94           HB2      TYR  94  20.515  27.770  -0.637
  742    HB3  TYR  94           HB3      TYR  94  21.424  28.102   0.824
  743    HD1  TYR  94           HD1      TYR  94  20.588  29.605  -2.523
  744    HD2  TYR  94           HD2      TYR  94  21.755  30.309   1.572
  745    HE1  TYR  94           HE1      TYR  94  20.231  32.045  -2.840
  746    HE2  TYR  94           HE2      TYR  94  21.408  32.756   1.250
  747    HH   TYR  94           HH       TYR  94  20.294  34.120  -1.869
  748    H    LYS  95           H        LYS  95  23.962  27.813   1.326
  749    HA   LYS  95           HA       LYS  95  25.626  30.134   0.923
  750    HB2  LYS  95           HB2      LYS  95  25.994  27.685   2.702
  751    HB3  LYS  95           HB3      LYS  95  26.971  29.147   2.798
  752    HG2  LYS  95           HG2      LYS  95  25.063  30.493   3.468
  753    HG3  LYS  95           HG3      LYS  95  23.956  29.135   3.229
  754    HD2  LYS  95           HD2      LYS  95  25.278  27.826   4.927
  755    HD3  LYS  95           HD3      LYS  95  26.225  29.287   5.261
  756    HE2  LYS  95           HE2      LYS  95  24.189  30.464   6.001
  757    HE3  LYS  95           HE3      LYS  95  23.189  29.083   5.521
  758    HZ1  LYS  95           HZ1      LYS  95  23.623  28.995   7.890
  759    HZ2  LYS  95           HZ2      LYS  95  24.400  27.730   7.169
  760    HZ3  LYS  95           HZ3      LYS  95  25.241  29.048   7.667
  761    H    SER  96           H        SER  96  26.106  26.720   0.090
  762    HA   SER  96           HA       SER  96  28.899  27.087  -0.739
  763    HB2  SER  96           HB2      SER  96  27.034  24.715  -1.124
  764    HB3  SER  96           HB3      SER  96  28.797  24.719  -1.259
  765    HG   SER  96           HG       SER  96  27.182  25.071   1.064
  766    H    GLY  97           H        GLY  97  25.905  27.616  -2.353
  767    HA2  GLY  97           HA2      GLY  97  25.588  28.485  -4.504
  768    HA3  GLY  97           HA3      GLY  97  27.240  28.000  -4.961
  769    H    GLU  98           H        GLU  98  25.796  25.356  -3.538
  770    HA   GLU  98           HA       GLU  98  25.703  23.930  -6.083
  771    HB2  GLU  98           HB2      GLU  98  24.988  22.964  -3.287
  772    HB3  GLU  98           HB3      GLU  98  25.274  21.962  -4.715
  773    HG2  GLU  98           HG2      GLU  98  27.621  22.914  -4.810
  774    HG3  GLU  98           HG3      GLU  98  27.307  23.705  -3.254
  775    H    LEU  99           H        LEU  99  23.275  25.093  -3.711
  776    HA   LEU  99           HA       LEU  99  21.008  23.882  -5.003
  777    HB2  LEU  99           HB2      LEU  99  21.000  24.803  -2.666
  778    HB3  LEU  99           HB3      LEU  99  21.158  26.434  -3.334
  779    HG   LEU  99           HG       LEU  99  18.954  26.131  -4.516
  780   HD11  LEU  99          HD11      LEU  99  18.815  23.696  -4.711
  781   HD12  LEU  99          HD12      LEU  99  18.869  23.514  -2.948
  782   HD13  LEU  99          HD13      LEU  99  17.462  24.270  -3.732
  783   HD21  LEU  99          HD21      LEU  99  17.587  26.293  -2.426
  784   HD22  LEU  99          HD22      LEU  99  19.035  25.818  -1.500
  785   HD23  LEU  99          HD23      LEU  99  19.024  27.320  -2.449
  786    H    GLN 100           H        GLN 100  22.565  27.095  -5.441
  787    HA   GLN 100           HA       GLN 100  20.793  28.139  -7.399
  788    HB2  GLN 100           HB2      GLN 100  22.535  29.459  -6.284
  789    HB3  GLN 100           HB3      GLN 100  23.807  28.507  -7.054
  790    HG2  GLN 100           HG2      GLN 100  23.074  29.314  -9.291
  791    HG3  GLN 100           HG3      GLN 100  21.819  30.287  -8.532
  792   HE21  GLN 100          HE22      GLN 100  22.745  31.949  -6.786
  793   HE22  GLN 100          HE21      GLN 100  24.279  32.682  -7.220
  794    H    GLU 101           H        GLU 101  23.762  26.121  -7.902
  795    HA   GLU 101           HA       GLU 101  23.605  25.968 -10.698
  796    HB2  GLU 101           HB2      GLU 101  25.497  25.250  -9.179
  797    HB3  GLU 101           HB3      GLU 101  24.578  23.795  -8.803
  798    HG2  GLU 101           HG2      GLU 101  26.166  23.202 -10.468
  799    HG3  GLU 101           HG3      GLU 101  24.597  23.215 -11.262
  800    H    GLN 102           H        GLN 102  22.150  23.671  -8.283
  801    HA   GLN 102           HA       GLN 102  20.908  22.110 -10.368
  802    HB2  GLN 102           HB2      GLN 102  20.359  22.179  -7.383
  803    HB3  GLN 102           HB3      GLN 102  19.714  20.987  -8.508
  804    HG2  GLN 102           HG2      GLN 102  22.658  21.403  -7.838
  805    HG3  GLN 102           HG3      GLN 102  21.652  20.073  -7.305
  806   HE21  GLN 102          HE22      GLN 102  24.174  19.851  -8.795
  807   HE22  GLN 102          HE21      GLN 102  23.755  19.059 -10.301
  808    H    VAL 103           H        VAL 103  19.659  24.821  -8.381
  809    HA   VAL 103           HA       VAL 103  16.939  24.570  -9.308
  810    HB   VAL 103           HB       VAL 103  18.489  26.892  -8.129
  811   HG11  VAL 103          HG11      VAL 103  16.832  27.990  -9.535
  812   HG12  VAL 103          HG12      VAL 103  15.562  26.878  -8.982
  813   HG13  VAL 103          HG13      VAL 103  16.282  28.060  -7.862
  814   HG21  VAL 103          HG21      VAL 103  16.109  25.266  -7.090
  815   HG22  VAL 103          HG22      VAL 103  17.791  24.935  -6.656
  816   HG23  VAL 103          HG23      VAL 103  17.049  26.476  -6.188
  817    H    GLU 104           H        GLU 104  19.762  26.458 -10.614
  818    HA   GLU 104           HA       GLU 104  18.372  27.580 -12.829
  819    HB2  GLU 104           HB2      GLU 104  21.266  26.790 -12.356
  820    HB3  GLU 104           HB3      GLU 104  20.734  27.466 -13.894
  821    HG2  GLU 104           HG2      GLU 104  20.320  28.875 -11.225
  822    HG3  GLU 104           HG3      GLU 104  21.697  29.147 -12.285
  823    H    LYS 105           H        LYS 105  20.123  24.425 -12.549
  824    HA   LYS 105           HA       LYS 105  19.542  23.510 -15.173
  825    HB2  LYS 105           HB2      LYS 105  21.208  22.554 -13.570
  826    HB3  LYS 105           HB3      LYS 105  19.881  21.859 -12.629
  827    HG2  LYS 105           HG2      LYS 105  19.190  20.516 -14.612
  828    HG3  LYS 105           HG3      LYS 105  20.513  21.242 -15.550
  829    HD2  LYS 105           HD2      LYS 105  22.148  20.308 -13.889
  830    HD3  LYS 105           HD3      LYS 105  20.817  19.499 -13.055
  831    HE2  LYS 105           HE2      LYS 105  21.599  19.054 -15.981
  832    HE3  LYS 105           HE3      LYS 105  22.122  18.038 -14.636
  833    HZ1  LYS 105           HZ1      LYS 105  19.300  18.395 -15.488
  834    HZ2  LYS 105           HZ2      LYS 105  20.218  17.069 -15.730
  835    HZ3  LYS 105           HZ3      LYS 105  19.791  17.488 -14.212
  836    H    ALA 106           H        ALA 106  17.603  23.092 -12.162
  837    HA   ALA 106           HA       ALA 106  15.481  21.587 -13.326
  838    HB1  ALA 106           HB1      ALA 106  15.400  23.540 -10.974
  839    HB2  ALA 106           HB2      ALA 106  14.236  22.241 -11.312
  840    HB3  ALA 106           HB3      ALA 106  15.917  21.844 -10.894
  841    H    MET 107           H        MET 107  15.896  25.144 -13.107
  842    HA   MET 107           HA       MET 107  13.347  25.793 -14.307
  843    HB2  MET 107           HB2      MET 107  15.916  27.395 -13.995
  844    HB3  MET 107           HB3      MET 107  14.416  28.047 -14.656
  845    HG2  MET 107           HG2      MET 107  14.743  26.906 -11.858
  846    HG3  MET 107           HG3      MET 107  14.700  28.609 -12.290
  847    HE1  MET 107           HE1      MET 107  12.857  29.259 -10.624
  848    HE2  MET 107           HE2      MET 107  11.457  28.217 -10.269
  849    HE3  MET 107           HE3      MET 107  13.106  27.616 -10.008
  850    H    CYS 108           H        CYS 108  16.607  25.279 -15.714
  851    HA   CYS 108           HA       CYS 108  15.829  25.841 -18.440
  852    HB2  CYS 108           HB2      CYS 108  18.031  24.034 -17.318
  853    HB3  CYS 108           HB3      CYS 108  17.868  24.528 -19.010
  854    HG   CYS 108           HG       CYS 108  18.314  26.397 -16.307
  855    H    SER 109           H        SER 109  15.762  22.885 -16.502
  856    HA   SER 109           HA       SER 109  14.477  21.022 -16.525
  857    HB2  SER 109           HB2      SER 109  12.756  22.301 -18.672
  858    HB3  SER 109           HB3      SER 109  12.310  21.020 -17.535
  859    HG   SER 109           HG       SER 109  13.036  22.778 -15.910
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  -1.171  -1.806  -7.937
    2    H2   MET   1           H2       MET   1  -1.459  -1.554  -9.530
    3    H3   MET   1           H3       MET   1   0.073  -1.745  -9.000
    4    HA   MET   1           HA       MET   1  -0.341   0.578  -9.479
    5    HB2  MET   1           HB2      MET   1  -2.800   0.450  -9.070
    6    HB3  MET   1           HB3      MET   1  -2.491   0.382  -7.327
    7    HG2  MET   1           HG2      MET   1  -1.392   2.632  -7.480
    8    HG3  MET   1           HG3      MET   1  -1.719   2.648  -9.211
    9    HE1  MET   1           HE1      MET   1  -4.817   3.208  -5.813
   10    HE2  MET   1           HE2      MET   1  -3.922   1.684  -5.985
   11    HE3  MET   1           HE3      MET   1  -3.051   3.191  -5.616
   12    H    ALA   2           H        ALA   2   1.240   1.808  -8.553
   13    HA   ALA   2           HA       ALA   2   2.163   1.250  -5.768
   14    HB1  ALA   2           HB1      ALA   2   4.111   2.621  -6.442
   15    HB2  ALA   2           HB2      ALA   2   3.872   1.229  -7.509
   16    HB3  ALA   2           HB3      ALA   2   3.403   2.842  -8.067
   17    H    LEU   3           H        LEU   3   2.563   4.451  -7.074
   18    HA   LEU   3           HA       LEU   3   0.793   5.672  -5.061
   19    HB2  LEU   3           HB2      LEU   3   2.356   6.876  -7.402
   20    HB3  LEU   3           HB3      LEU   3   1.424   7.788  -6.232
   21    HG   LEU   3           HG       LEU   3   3.588   8.091  -5.551
   22   HD11  LEU   3          HD11      LEU   3   3.814   7.097  -3.395
   23   HD12  LEU   3          HD12      LEU   3   2.088   7.378  -3.677
   24   HD13  LEU   3          HD13      LEU   3   2.765   5.735  -3.816
   25   HD21  LEU   3          HD21      LEU   3   4.265   5.130  -5.728
   26   HD22  LEU   3          HD22      LEU   3   4.672   6.355  -6.955
   27   HD23  LEU   3          HD23      LEU   3   5.345   6.470  -5.325
   28    H    THR   4           H        THR   4  -1.012   7.102  -5.653
   29    HA   THR   4           HA       THR   4  -2.775   5.906  -7.612
   30    HB   THR   4           HB       THR   4  -4.283   7.842  -7.065
   31    HG1  THR   4           HG1      THR   4  -3.584   9.078  -5.238
   32   HG21  THR   4          HG21      THR   4  -3.183   6.278  -4.685
   33   HG22  THR   4          HG22      THR   4  -4.745   7.121  -4.751
   34   HG23  THR   4          HG23      THR   4  -4.443   5.734  -5.809
   35    HA   PRO   5           HA       PRO   5  -1.617   8.346 -11.222
   36    HB2  PRO   5           HB2      PRO   5  -4.611   8.407 -11.658
   37    HB3  PRO   5           HB3      PRO   5  -3.300   8.087 -12.840
   38    HG2  PRO   5           HG2      PRO   5  -4.715   6.029 -11.802
   39    HG3  PRO   5           HG3      PRO   5  -2.935   5.894 -11.937
   40    HD2  PRO   5           HD2      PRO   5  -4.584   6.587  -9.494
   41    HD3  PRO   5           HD3      PRO   5  -3.192   5.472  -9.652
   42    H    ALA   6           H        ALA   6  -4.340   9.395  -9.112
   43    HA   ALA   6           HA       ALA   6  -4.361  12.142  -9.765
   44    HB1  ALA   6           HB1      ALA   6  -5.518  12.370  -7.585
   45    HB2  ALA   6           HB2      ALA   6  -6.128  10.984  -8.501
   46    HB3  ALA   6           HB3      ALA   6  -5.015  10.726  -7.134
   47    H    LEU   7           H        LEU   7  -2.405  10.476  -7.179
   48    HA   LEU   7           HA       LEU   7  -1.139  12.932  -6.334
   49    HB2  LEU   7           HB2      LEU   7  -1.207  10.891  -4.902
   50    HB3  LEU   7           HB3      LEU   7  -0.195  10.036  -6.072
   51    HG   LEU   7           HG       LEU   7   1.625  11.745  -5.675
   52   HD11  LEU   7          HD11      LEU   7  -0.201  12.668  -3.408
   53   HD12  LEU   7          HD12      LEU   7   1.499  13.138  -3.611
   54   HD13  LEU   7          HD13      LEU   7   0.302  13.632  -4.811
   55   HD21  LEU   7          HD21      LEU   7   1.628   9.566  -4.530
   56   HD22  LEU   7          HD22      LEU   7   2.381  10.840  -3.564
   57   HD23  LEU   7          HD23      LEU   7   0.743  10.285  -3.167
   58    H    LYS   8           H        LYS   8  -0.122  10.337  -8.610
   59    HA   LYS   8           HA       LYS   8   2.407  11.444  -9.284
   60    HB2  LYS   8           HB2      LYS   8   0.452   9.758 -10.922
   61    HB3  LYS   8           HB3      LYS   8   2.109  10.124 -11.424
   62    HG2  LYS   8           HG2      LYS   8   3.009   8.987  -9.434
   63    HG3  LYS   8           HG3      LYS   8   1.384   8.689  -8.827
   64    HD2  LYS   8           HD2      LYS   8   2.216   6.659  -9.826
   65    HD3  LYS   8           HD3      LYS   8   0.888   7.278 -10.816
   66    HE2  LYS   8           HE2      LYS   8   2.538   8.245 -12.420
   67    HE3  LYS   8           HE3      LYS   8   3.868   7.695 -11.392
   68    HZ1  LYS   8           HZ1      LYS   8   1.915   5.912 -12.761
   69    HZ2  LYS   8           HZ2      LYS   8   3.460   6.166 -13.232
   70    HZ3  LYS   8           HZ3      LYS   8   3.154   5.399 -11.817
   71    H    THR   9           H        THR   9  -0.781  12.064 -10.840
   72    HA   THR   9           HA       THR   9   0.083  13.909 -12.822
   73    HB   THR   9           HB       THR   9  -2.564  13.505 -11.473
   74    HG1  THR   9           HG1      THR   9  -2.128  11.692 -12.520
   75   HG21  THR   9          HG21      THR   9  -2.602  15.631 -12.598
   76   HG22  THR   9          HG22      THR   9  -1.818  14.921 -14.038
   77   HG23  THR   9          HG23      THR   9  -3.481  14.455 -13.585
   78    H    THR  10           H        THR  10  -1.144  14.416  -9.486
   79    HA   THR  10           HA       THR  10  -1.125  17.279  -9.557
   80    HB   THR  10           HB       THR  10  -0.766  15.414  -7.164
   81    HG1  THR  10           HG1      THR  10  -2.673  14.989  -8.147
   82   HG21  THR  10          HG21      THR  10  -0.169  17.714  -6.540
   83   HG22  THR  10          HG22      THR  10  -1.630  18.341  -7.337
   84   HG23  THR  10          HG23      THR  10  -1.762  17.317  -5.887
   85    H    LEU  11           H        LEU  11   1.355  14.998  -8.282
   86    HA   LEU  11           HA       LEU  11   3.281  17.002  -7.636
   87    HB2  LEU  11           HB2      LEU  11   3.604  14.057  -8.380
   88    HB3  LEU  11           HB3      LEU  11   4.912  15.063  -7.765
   89    HG   LEU  11           HG       LEU  11   2.350  14.402  -6.245
   90   HD11  LEU  11          HD11      LEU  11   5.206  13.419  -5.839
   91   HD12  LEU  11          HD12      LEU  11   3.795  12.984  -4.859
   92   HD13  LEU  11          HD13      LEU  11   3.875  12.467  -6.549
   93   HD21  LEU  11          HD21      LEU  11   4.843  15.912  -5.340
   94   HD22  LEU  11          HD22      LEU  11   3.207  16.586  -5.527
   95   HD23  LEU  11          HD23      LEU  11   3.520  15.371  -4.290
   96    H    ASP  12           H        ASP  12   3.030  15.036 -10.662
   97    HA   ASP  12           HA       ASP  12   5.195  16.219 -12.011
   98    HB2  ASP  12           HB2      ASP  12   4.013  14.211 -12.762
   99    HB3  ASP  12           HB3      ASP  12   2.574  15.164 -13.126
  100    H    LYS  13           H        LYS  13   1.720  17.290 -12.119
  101    HA   LYS  13           HA       LYS  13   2.245  19.593 -13.755
  102    HB2  LYS  13           HB2      LYS  13  -0.002  18.882 -11.826
  103    HB3  LYS  13           HB3      LYS  13   0.020  20.384 -12.768
  104    HG2  LYS  13           HG2      LYS  13   0.106  19.145 -14.871
  105    HG3  LYS  13           HG3      LYS  13   0.158  17.600 -14.004
  106    HD2  LYS  13           HD2      LYS  13  -2.050  18.075 -13.001
  107    HD3  LYS  13           HD3      LYS  13  -2.135  19.621 -13.851
  108    HE2  LYS  13           HE2      LYS  13  -1.912  16.897 -15.222
  109    HE3  LYS  13           HE3      LYS  13  -3.442  17.719 -14.901
  110    HZ1  LYS  13           HZ1      LYS  13  -2.696  18.161 -17.148
  111    HZ2  LYS  13           HZ2      LYS  13  -2.681  19.560 -16.302
  112    HZ3  LYS  13           HZ3      LYS  13  -1.272  18.778 -16.635
  113    H    VAL  14           H        VAL  14   2.025  19.347 -10.157
  114    HA   VAL  14           HA       VAL  14   2.549  22.112  -9.728
  115    HB   VAL  14           HB       VAL  14   2.940  19.782  -7.917
  116   HG11  VAL  14          HG11      VAL  14   4.467  21.517  -7.084
  117   HG12  VAL  14          HG12      VAL  14   3.176  22.736  -7.200
  118   HG13  VAL  14          HG13      VAL  14   3.058  21.409  -6.023
  119   HG21  VAL  14          HG21      VAL  14   0.860  22.022  -7.909
  120   HG22  VAL  14          HG22      VAL  14   0.576  20.408  -8.566
  121   HG23  VAL  14          HG23      VAL  14   0.889  20.604  -6.837
  122    H    VAL  15           H        VAL  15   4.882  19.341  -9.748
  123    HA   VAL  15           HA       VAL  15   7.083  21.051  -9.109
  124    HB   VAL  15           HB       VAL  15   6.784  18.517  -8.728
  125   HG11  VAL  15          HG11      VAL  15   8.300  18.301 -11.360
  126   HG12  VAL  15          HG12      VAL  15   7.797  16.992 -10.271
  127   HG13  VAL  15          HG13      VAL  15   6.582  17.902 -11.178
  128   HG21  VAL  15          HG21      VAL  15   9.473  19.686  -9.506
  129   HG22  VAL  15          HG22      VAL  15   8.681  19.745  -7.920
  130   HG23  VAL  15          HG23      VAL  15   9.216  18.194  -8.583
  131    H    THR  16           H        THR  16   5.649  20.318 -12.226
  132    HA   THR  16           HA       THR  16   7.999  21.435 -13.687
  133    HB   THR  16           HB       THR  16   6.711  20.986 -15.727
  134    HG1  THR  16           HG1      THR  16   4.921  19.524 -14.121
  135   HG21  THR  16          HG21      THR  16   6.859  18.530 -15.641
  136   HG22  THR  16          HG22      THR  16   8.262  19.289 -14.873
  137   HG23  THR  16          HG23      THR  16   6.984  18.575 -13.872
  138    H    SER  17           H        SER  17   4.589  22.356 -12.976
  139    HA   SER  17           HA       SER  17   4.744  24.766 -14.527
  140    HB2  SER  17           HB2      SER  17   2.659  23.568 -13.856
  141    HB3  SER  17           HB3      SER  17   2.900  24.137 -12.191
  142    HG   SER  17           HG       SER  17   1.487  25.502 -13.387
  143    H    HIS  18           H        HIS  18   5.208  24.227 -10.987
  144    HA   HIS  18           HA       HIS  18   6.034  27.076 -10.669
  145    HB2  HIS  18           HB2      HIS  18   5.578  24.872  -8.611
  146    HB3  HIS  18           HB3      HIS  18   5.922  26.562  -8.267
  147    HD1  HIS  18           HD1      HIS  18   3.911  28.355  -8.969
  148    HD2  HIS  18           HD2      HIS  18   3.051  24.243  -9.145
  149    HE1  HIS  18           HE1      HIS  18   1.376  28.158  -9.093
  150    H    LYS  19           H        LYS  19   7.583  24.137 -11.313
  151    HA   LYS  19           HA       LYS  19   9.695  23.353 -11.321
  152    HB2  LYS  19           HB2      LYS  19  10.228  26.331 -11.385
  153    HB3  LYS  19           HB3      LYS  19  11.529  25.134 -11.427
  154    HG2  LYS  19           HG2      LYS  19  10.464  24.004 -13.346
  155    HG3  LYS  19           HG3      LYS  19   9.189  25.233 -13.381
  156    HD2  LYS  19           HD2      LYS  19  10.695  26.955 -14.004
  157    HD3  LYS  19           HD3      LYS  19  12.118  26.012 -13.547
  158    HE2  LYS  19           HE2      LYS  19  10.261  25.253 -15.856
  159    HE3  LYS  19           HE3      LYS  19  11.722  26.231 -16.038
  160    HZ1  LYS  19           HZ1      LYS  19  12.324  23.980 -16.484
  161    HZ2  LYS  19           HZ2      LYS  19  12.977  24.356 -15.036
  162    HZ3  LYS  19           HZ3      LYS  19  11.650  23.405 -15.095
  163    H    VAL  20           H        VAL  20   9.388  25.564  -8.569
  164    HA   VAL  20           HA       VAL  20  11.145  23.700  -6.970
  165    HB   VAL  20           HB       VAL  20  10.716  26.668  -6.465
  166   HG11  VAL  20          HG11      VAL  20  11.265  25.350  -4.435
  167   HG12  VAL  20          HG12      VAL  20  12.706  24.701  -5.253
  168   HG13  VAL  20          HG13      VAL  20  12.580  26.435  -4.887
  169   HG21  VAL  20          HG21      VAL  20  13.112  25.325  -7.777
  170   HG22  VAL  20          HG22      VAL  20  12.020  26.517  -8.506
  171   HG23  VAL  20          HG23      VAL  20  13.079  26.995  -7.180
  172    H    VAL  21           H        VAL  21  10.088  22.657  -5.316
  173    HA   VAL  21           HA       VAL  21   7.958  24.091  -3.878
  174    HB   VAL  21           HB       VAL  21   6.666  23.136  -5.693
  175   HG11  VAL  21          HG11      VAL  21   6.355  20.746  -6.020
  176   HG12  VAL  21          HG12      VAL  21   8.057  21.173  -6.232
  177   HG13  VAL  21          HG13      VAL  21   7.508  20.384  -4.729
  178   HG21  VAL  21          HG21      VAL  21   4.915  22.057  -4.427
  179   HG22  VAL  21          HG22      VAL  21   6.032  21.647  -3.114
  180   HG23  VAL  21          HG23      VAL  21   5.626  23.338  -3.440
  181    H    LEU  22           H        LEU  22   7.718  23.555  -1.809
  182    HA   LEU  22           HA       LEU  22   9.463  21.381  -0.697
  183    HB2  LEU  22           HB2      LEU  22  10.031  23.779  -0.327
  184    HB3  LEU  22           HB3      LEU  22   8.492  24.035   0.449
  185    HG   LEU  22           HG       LEU  22  10.438  23.949   1.944
  186   HD11  LEU  22          HD11      LEU  22   8.144  23.449   2.779
  187   HD12  LEU  22          HD12      LEU  22   8.501  21.710   2.619
  188   HD13  LEU  22          HD13      LEU  22   9.447  22.711   3.729
  189   HD21  LEU  22          HD21      LEU  22  11.518  21.844   2.534
  190   HD22  LEU  22          HD22      LEU  22  10.555  20.961   1.340
  191   HD23  LEU  22          HD23      LEU  22  11.735  22.186   0.812
  192    H    PHE  23           H        PHE  23   8.544  19.723   0.385
  193    HA   PHE  23           HA       PHE  23   5.680  19.939   1.225
  194    HB2  PHE  23           HB2      PHE  23   7.363  17.599   0.354
  195    HB3  PHE  23           HB3      PHE  23   5.911  17.377   1.302
  196    HD1  PHE  23           HD2      PHE  23   7.048  19.037  -1.891
  197    HD2  PHE  23           HD1      PHE  23   3.803  17.223   0.291
  198    HE1  PHE  23           HE2      PHE  23   5.633  19.115  -3.931
  199    HE2  PHE  23           HE1      PHE  23   2.388  17.320  -1.742
  200    HZ   PHE  23           HZ       PHE  23   3.288  18.289  -3.845
  201    H    MET  24           H        MET  24   5.154  19.881   3.276
  202    HA   MET  24           HA       MET  24   6.763  18.726   5.417
  203    HB2  MET  24           HB2      MET  24   7.273  20.840   6.575
  204    HB3  MET  24           HB3      MET  24   8.043  20.821   4.994
  205    HG2  MET  24           HG2      MET  24   6.303  22.268   4.066
  206    HG3  MET  24           HG3      MET  24   5.394  22.214   5.576
  207    HE1  MET  24           HE1      MET  24   5.276  24.856   5.575
  208    HE2  MET  24           HE2      MET  24   6.710  25.856   5.174
  209    HE3  MET  24           HE3      MET  24   6.100  24.674   4.002
  210    H    LYS  25           H        LYS  25   5.699  19.783   7.649
  211    HA   LYS  25           HA       LYS  25   2.822  19.215   7.493
  212    HB2  LYS  25           HB2      LYS  25   4.642  20.040   9.793
  213    HB3  LYS  25           HB3      LYS  25   2.935  19.607   9.965
  214    HG2  LYS  25           HG2      LYS  25   3.417  17.372   8.952
  215    HG3  LYS  25           HG3      LYS  25   5.144  17.767   8.946
  216    HD2  LYS  25           HD2      LYS  25   3.355  17.609  11.410
  217    HD3  LYS  25           HD3      LYS  25   4.484  16.359  10.863
  218    HE2  LYS  25           HE2      LYS  25   6.384  17.960  11.125
  219    HE3  LYS  25           HE3      LYS  25   5.259  19.193  11.707
  220    HZ1  LYS  25           HZ1      LYS  25   5.778  16.591  13.050
  221    HZ2  LYS  25           HZ2      LYS  25   6.320  18.045  13.557
  222    HZ3  LYS  25           HZ3      LYS  25   4.720  17.721  13.585
  223    H    GLY  26           H        GLY  26   2.981  21.208   5.808
  224    HA2  GLY  26           HA2      GLY  26   1.358  23.352   6.623
  225    HA3  GLY  26           HA3      GLY  26   3.000  23.891   6.918
  226    H    THR  27           H        THR  27   1.553  25.338   5.244
  227    HA   THR  27           HA       THR  27   2.220  24.604   2.414
  228    HB   THR  27           HB       THR  27   0.289  25.992   1.783
  229    HG1  THR  27           HG1      THR  27  -1.072  26.650   3.583
  230   HG21  THR  27          HG21      THR  27  -1.502  24.574   2.530
  231   HG22  THR  27          HG22      THR  27  -0.069  23.564   2.289
  232   HG23  THR  27          HG23      THR  27  -0.573  24.021   3.936
  233    H    LYS  28           H        LYS  28   2.080  26.830   1.061
  234    HA   LYS  28           HA       LYS  28   4.248  28.546   1.884
  235    HB2  LYS  28           HB2      LYS  28   3.487  28.055  -0.474
  236    HB3  LYS  28           HB3      LYS  28   2.057  29.055  -0.171
  237    HG2  LYS  28           HG2      LYS  28   3.550  31.021   0.233
  238    HG3  LYS  28           HG3      LYS  28   4.963  29.985   0.008
  239    HD2  LYS  28           HD2      LYS  28   4.603  31.252  -2.006
  240    HD3  LYS  28           HD3      LYS  28   4.251  29.558  -2.348
  241    HE2  LYS  28           HE2      LYS  28   1.811  30.012  -2.105
  242    HE3  LYS  28           HE3      LYS  28   2.161  31.703  -1.712
  243    HZ1  LYS  28           HZ1      LYS  28   1.571  31.468  -4.036
  244    HZ2  LYS  28           HZ2      LYS  28   3.150  31.901  -3.960
  245    HZ3  LYS  28           HZ3      LYS  28   2.730  30.345  -4.302
  246    H    ASP  29           H        ASP  29   0.750  28.725   2.340
  247    HA   ASP  29           HA       ASP  29   0.735  31.453   3.409
  248    HB2  ASP  29           HB2      ASP  29  -1.161  30.470   2.152
  249    HB3  ASP  29           HB3      ASP  29  -1.373  29.260   3.421
  250    H    PHE  30           H        PHE  30   0.839  28.160   4.740
  251    HA   PHE  30           HA       PHE  30   1.220  29.278   7.491
  252    HB2  PHE  30           HB2      PHE  30  -0.943  28.155   7.244
  253    HB3  PHE  30           HB3      PHE  30  -0.150  26.702   6.653
  254    HD1  PHE  30           HD1      PHE  30  -0.088  29.053   9.608
  255    HD2  PHE  30           HD2      PHE  30   0.312  24.989   8.218
  256    HE1  PHE  30           HE1      PHE  30   0.142  28.268  11.954
  257    HE2  PHE  30           HE2      PHE  30   0.543  24.208  10.561
  258    HZ   PHE  30           HZ       PHE  30   0.463  25.844  12.434
  259    HA   PRO  31           HA       PRO  31   5.044  26.976   6.267
  260    HB2  PRO  31           HB2      PRO  31   6.930  28.821   6.968
  261    HB3  PRO  31           HB3      PRO  31   6.021  28.901   5.426
  262    HG2  PRO  31           HG2      PRO  31   5.424  30.357   8.027
  263    HG3  PRO  31           HG3      PRO  31   5.534  31.051   6.373
  264    HD2  PRO  31           HD2      PRO  31   3.143  30.368   7.492
  265    HD3  PRO  31           HD3      PRO  31   3.454  30.138   5.746
  266    H    GLN  32           H        GLN  32   6.877  26.231   7.679
  267    HA   GLN  32           HA       GLN  32   6.101  26.177  10.567
  268    HB2  GLN  32           HB2      GLN  32   7.499  24.143   8.788
  269    HB3  GLN  32           HB3      GLN  32   7.546  24.042  10.545
  270    HG2  GLN  32           HG2      GLN  32   4.966  24.093   8.912
  271    HG3  GLN  32           HG3      GLN  32   5.761  22.631   9.485
  272   HE21  GLN  32          HE21      GLN  32   3.230  22.793  10.358
  273   HE22  GLN  32          HE22      GLN  32   3.180  23.303  12.046
  274    H    CYS  33           H        CYS  33   7.502  26.683  12.120
  275    HA   CYS  33           HA       CYS  33   9.494  28.584  11.500
  276    HB2  CYS  33           HB2      CYS  33   8.833  27.160  14.115
  277    HB3  CYS  33           HB3      CYS  33   9.826  28.620  13.979
  278    HG   CYS  33           HG       CYS  33   8.013  30.131  12.827
  279    H    GLY  34           H        GLY  34  11.692  28.710  12.157
  280    HA2  GLY  34           HA2      GLY  34  13.855  27.955  12.613
  281    HA3  GLY  34           HA3      GLY  34  13.232  26.308  12.812
  282    H    PHE  35           H        PHE  35  13.961  24.908  11.340
  283    HA   PHE  35           HA       PHE  35  15.689  25.640   9.233
  284    HB2  PHE  35           HB2      PHE  35  15.504  23.205   8.602
  285    HB3  PHE  35           HB3      PHE  35  15.989  23.556  10.242
  286    HD1  PHE  35           HD2      PHE  35  13.143  22.308   8.161
  287    HD2  PHE  35           HD1      PHE  35  14.713  22.824  12.146
  288    HE1  PHE  35           HE2      PHE  35  11.368  20.830   9.050
  289    HE2  PHE  35           HE1      PHE  35  12.931  21.342  13.031
  290    HZ   PHE  35           HZ       PHE  35  11.255  20.346  11.492
  291    H    SER  36           H        SER  36  12.231  24.576   8.943
  292    HA   SER  36           HA       SER  36  12.246  24.826   6.071
  293    HB2  SER  36           HB2      SER  36   9.955  24.776   8.049
  294    HB3  SER  36           HB3      SER  36   9.788  24.736   6.275
  295    HG   SER  36           HG       SER  36   9.864  22.628   7.237
  296    H    GLN  37           H        GLN  37  10.996  27.138   8.561
  297    HA   GLN  37           HA       GLN  37  10.336  29.304   6.936
  298    HB2  GLN  37           HB2      GLN  37  10.011  29.181   9.355
  299    HB3  GLN  37           HB3      GLN  37  11.757  29.249   9.629
  300    HG2  GLN  37           HG2      GLN  37  11.796  31.560   8.690
  301    HG3  GLN  37           HG3      GLN  37  10.051  31.466   8.418
  302   HE21  GLN  37          HE22      GLN  37  10.345  33.545   9.873
  303   HE22  GLN  37          HE21      GLN  37  10.230  33.248  11.601
  304    H    THR  38           H        THR  38  13.603  28.507   8.205
  305    HA   THR  38           HA       THR  38  15.052  30.549   6.864
  306    HB   THR  38           HB       THR  38  16.024  27.782   7.697
  307    HG1  THR  38           HG1      THR  38  15.238  28.856   9.447
  308   HG21  THR  38          HG21      THR  38  18.229  28.939   7.885
  309   HG22  THR  38          HG22      THR  38  17.653  28.834   6.224
  310   HG23  THR  38          HG23      THR  38  17.523  30.375   7.104
  311    H    VAL  39           H        VAL  39  14.464  27.149   5.823
  312    HA   VAL  39           HA       VAL  39  15.728  27.432   3.306
  313    HB   VAL  39           HB       VAL  39  13.717  25.479   4.388
  314   HG11  VAL  39          HG11      VAL  39  14.022  24.092   2.303
  315   HG12  VAL  39          HG12      VAL  39  12.993  25.508   2.086
  316   HG13  VAL  39          HG13      VAL  39  14.667  25.541   1.496
  317   HG21  VAL  39          HG21      VAL  39  15.683  23.978   3.991
  318   HG22  VAL  39          HG22      VAL  39  16.600  25.357   3.384
  319   HG23  VAL  39          HG23      VAL  39  16.064  25.320   5.074
  320    H    VAL  40           H        VAL  40  12.173  27.980   4.022
  321    HA   VAL  40           HA       VAL  40  11.685  28.540   1.251
  322    HB   VAL  40           HB       VAL  40   9.587  29.479   1.901
  323   HG11  VAL  40          HG11      VAL  40   9.846  27.032   1.669
  324   HG12  VAL  40          HG12      VAL  40  10.158  26.902   3.411
  325   HG13  VAL  40          HG13      VAL  40   8.581  27.459   2.834
  326   HG21  VAL  40          HG21      VAL  40  10.087  30.665   3.978
  327   HG22  VAL  40          HG22      VAL  40   8.743  29.535   4.183
  328   HG23  VAL  40          HG23      VAL  40  10.342  29.110   4.793
  329    H    GLN  41           H        GLN  41  12.732  30.694   3.938
  330    HA   GLN  41           HA       GLN  41  12.622  33.099   2.333
  331    HB2  GLN  41           HB2      GLN  41  12.671  33.011   4.840
  332    HB3  GLN  41           HB3      GLN  41  14.342  32.453   4.761
  333    HG2  GLN  41           HG2      GLN  41  14.281  34.839   5.238
  334    HG3  GLN  41           HG3      GLN  41  15.019  34.575   3.670
  335   HE21  GLN  41          HE22      GLN  41  14.486  36.983   3.467
  336   HE22  GLN  41          HE21      GLN  41  12.876  37.389   2.900
  337    H    ILE  42           H        ILE  42  15.206  30.679   2.873
  338    HA   ILE  42           HA       ILE  42  17.236  31.888   1.264
  339    HB   ILE  42           HB       ILE  42  16.588  29.068   2.122
  340   HG12  ILE  42          HG12      ILE  42  19.036  30.825   2.524
  341   HG13  ILE  42          HG13      ILE  42  17.683  30.746   3.638
  342   HG21  ILE  42          HG21      ILE  42  17.412  28.661  -0.138
  343   HG22  ILE  42          HG22      ILE  42  18.813  29.714   0.169
  344   HG23  ILE  42          HG23      ILE  42  18.611  28.169   1.029
  345   HD11  ILE  42          HD11      ILE  42  19.613  28.483   2.982
  346   HD12  ILE  42          HD12      ILE  42  19.413  29.343   4.512
  347   HD13  ILE  42          HD13      ILE  42  18.124  28.272   3.931
  348    H    LEU  43           H        LEU  43  14.667  29.579   0.218
  349    HA   LEU  43           HA       LEU  43  15.415  29.595  -2.544
  350    HB2  LEU  43           HB2      LEU  43  12.744  29.104  -1.147
  351    HB3  LEU  43           HB3      LEU  43  12.994  28.825  -2.861
  352    HG   LEU  43           HG       LEU  43  14.559  27.385  -0.665
  353   HD11  LEU  43          HD11      LEU  43  12.189  26.468  -2.348
  354   HD12  LEU  43          HD12      LEU  43  13.100  25.466  -1.195
  355   HD13  LEU  43          HD13      LEU  43  12.155  26.837  -0.610
  356   HD21  LEU  43          HD21      LEU  43  15.164  25.832  -2.535
  357   HD22  LEU  43          HD22      LEU  43  14.447  26.982  -3.683
  358   HD23  LEU  43          HD23      LEU  43  15.860  27.443  -2.709
  359    H    LYS  44           H        LYS  44  12.872  31.537  -0.900
  360    HA   LYS  44           HA       LYS  44  12.066  33.187  -3.028
  361    HB2  LYS  44           HB2      LYS  44  12.513  33.780  -0.071
  362    HB3  LYS  44           HB3      LYS  44  11.855  34.983  -1.188
  363    HG2  LYS  44           HG2      LYS  44   9.903  33.678  -1.637
  364    HG3  LYS  44           HG3      LYS  44  10.586  32.244  -0.870
  365    HD2  LYS  44           HD2      LYS  44   8.931  33.246   0.616
  366    HD3  LYS  44           HD3      LYS  44  10.539  33.355   1.332
  367    HE2  LYS  44           HE2      LYS  44  10.664  35.752   0.392
  368    HE3  LYS  44           HE3      LYS  44   8.956  35.580  -0.038
  369    HZ1  LYS  44           HZ1      LYS  44   8.519  35.155   2.358
  370    HZ2  LYS  44           HZ2      LYS  44  10.111  35.427   2.702
  371    HZ3  LYS  44           HZ3      LYS  44   9.177  36.633   2.108
  372    H    SER  45           H        SER  45  14.728  33.894  -0.749
  373    HA   SER  45           HA       SER  45  15.718  36.241  -1.997
  374    HB2  SER  45           HB2      SER  45  17.266  34.294  -0.247
  375    HB3  SER  45           HB3      SER  45  17.616  36.005  -0.517
  376    HG   SER  45           HG       SER  45  15.541  34.799   0.969
  377    H    LEU  46           H        LEU  46  16.718  32.831  -2.483
  378    HA   LEU  46           HA       LEU  46  18.920  33.323  -4.207
  379    HB2  LEU  46           HB2      LEU  46  18.409  31.218  -2.991
  380    HB3  LEU  46           HB3      LEU  46  16.979  30.981  -3.991
  381    HG   LEU  46           HG       LEU  46  18.384  30.626  -5.971
  382   HD11  LEU  46          HD11      LEU  46  20.327  32.075  -5.427
  383   HD12  LEU  46          HD12      LEU  46  20.746  31.015  -4.062
  384   HD13  LEU  46          HD13      LEU  46  20.844  30.420  -5.729
  385   HD21  LEU  46          HD21      LEU  46  19.356  28.479  -5.256
  386   HD22  LEU  46          HD22      LEU  46  19.284  28.988  -3.558
  387   HD23  LEU  46          HD23      LEU  46  17.786  28.735  -4.477
  388    H    ASN  47           H        ASN  47  15.547  33.475  -4.696
  389    HA   ASN  47           HA       ASN  47  14.575  35.021  -6.125
  390    HB2  ASN  47           HB2      ASN  47  16.566  34.318  -8.310
  391    HB3  ASN  47           HB3      ASN  47  15.182  35.371  -8.474
  392   HD21  ASN  47          HD22      ASN  47  18.406  35.170  -7.126
  393   HD22  ASN  47          HD21      ASN  47  18.511  36.876  -6.689
  394    H    ALA  48           H        ALA  48  13.735  32.634  -5.245
  395    HA   ALA  48           HA       ALA  48  13.077  30.948  -7.613
  396    HB1  ALA  48           HB1      ALA  48  12.475  29.207  -6.054
  397    HB2  ALA  48           HB2      ALA  48  14.039  29.902  -5.592
  398    HB3  ALA  48           HB3      ALA  48  12.561  30.338  -4.696
  399    HA   PRO  49           HA       PRO  49   8.648  32.091  -7.414
  400    HB2  PRO  49           HB2      PRO  49   7.767  30.822  -9.618
  401    HB3  PRO  49           HB3      PRO  49   8.916  32.181  -9.760
  402    HG2  PRO  49           HG2      PRO  49   9.563  29.207  -9.772
  403    HG3  PRO  49           HG3      PRO  49  10.087  30.452 -10.945
  404    HD2  PRO  49           HD2      PRO  49  11.614  29.646  -8.789
  405    HD3  PRO  49           HD3      PRO  49  11.694  31.294  -9.479
  406    H    PHE  50           H        PHE  50   9.505  30.412  -5.457
  407    HA   PHE  50           HA       PHE  50   8.852  27.668  -5.763
  408    HB2  PHE  50           HB2      PHE  50   9.756  27.380  -3.674
  409    HB3  PHE  50           HB3      PHE  50  10.545  28.869  -4.151
  410    HD1  PHE  50           HD1      PHE  50   8.975  31.086  -3.488
  411    HD2  PHE  50           HD2      PHE  50   8.957  27.255  -1.490
  412    HE1  PHE  50           HE1      PHE  50   7.905  32.117  -1.514
  413    HE2  PHE  50           HE2      PHE  50   7.898  28.305   0.486
  414    HZ   PHE  50           HZ       PHE  50   7.369  30.734   0.483
  415    H    GLU  51           H        GLU  51   7.521  26.398  -4.302
  416    HA   GLU  51           HA       GLU  51   5.041  27.652  -3.267
  417    HB2  GLU  51           HB2      GLU  51   5.266  25.228  -5.093
  418    HB3  GLU  51           HB3      GLU  51   3.897  25.434  -4.016
  419    HG2  GLU  51           HG2      GLU  51   4.727  27.353  -6.220
  420    HG3  GLU  51           HG3      GLU  51   3.371  26.222  -6.257
  421    H    SER  52           H        SER  52   3.926  26.055  -1.716
  422    HA   SER  52           HA       SER  52   5.654  23.974  -0.668
  423    HB2  SER  52           HB2      SER  52   4.868  26.297   1.115
  424    HB3  SER  52           HB3      SER  52   5.508  24.749   1.708
  425    HG   SER  52           HG       SER  52   6.965  25.950  -0.321
  426    H    VAL  53           H        VAL  53   4.517  22.291   0.259
  427    HA   VAL  53           HA       VAL  53   1.513  22.550   0.265
  428    HB   VAL  53           HB       VAL  53   3.165  20.406  -1.118
  429   HG11  VAL  53          HG11      VAL  53   1.099  19.399  -0.276
  430   HG12  VAL  53          HG12      VAL  53   0.136  20.751  -0.913
  431   HG13  VAL  53          HG13      VAL  53   0.943  19.616  -2.014
  432   HG21  VAL  53          HG21      VAL  53   2.163  21.253  -3.227
  433   HG22  VAL  53          HG22      VAL  53   1.396  22.576  -2.327
  434   HG23  VAL  53          HG23      VAL  53   3.165  22.474  -2.452
  435    H    ASN  54           H        ASN  54   0.422  21.280   1.742
  436    HA   ASN  54           HA       ASN  54   2.062  20.348   3.916
  437    HB2  ASN  54           HB2      ASN  54   0.136  20.175   5.221
  438    HB3  ASN  54           HB3      ASN  54  -0.021  21.640   4.266
  439   HD21  ASN  54          HD22      ASN  54  -1.284  18.333   4.787
  440   HD22  ASN  54          HD21      ASN  54  -2.731  18.583   3.829
  441    H    ILE  55           H        ILE  55   2.387  18.367   4.736
  442    HA   ILE  55           HA       ILE  55   1.491  15.936   3.244
  443    HB   ILE  55           HB       ILE  55   3.006  14.710   4.704
  444   HG12  ILE  55          HG12      ILE  55   3.897  17.277   6.017
  445   HG13  ILE  55          HG13      ILE  55   2.654  16.299   6.732
  446   HG21  ILE  55          HG21      ILE  55   4.369  17.190   3.567
  447   HG22  ILE  55          HG22      ILE  55   5.114  15.623   3.885
  448   HG23  ILE  55          HG23      ILE  55   3.869  15.761   2.637
  449   HD11  ILE  55          HD11      ILE  55   4.746  15.685   7.747
  450   HD12  ILE  55          HD12      ILE  55   4.290  14.343   6.684
  451   HD13  ILE  55          HD13      ILE  55   5.531  15.523   6.178
  452    H    LEU  56           H        LEU  56   1.031  14.067   5.002
  453    HA   LEU  56           HA       LEU  56  -0.242  13.078   6.561
  454    HB2  LEU  56           HB2      LEU  56  -0.184  15.834   7.874
  455    HB3  LEU  56           HB3      LEU  56  -0.937  14.447   8.628
  456    HG   LEU  56           HG       LEU  56   2.001  14.658   7.916
  457   HD11  LEU  56          HD11      LEU  56   2.330  14.769  10.341
  458   HD12  LEU  56          HD12      LEU  56   1.285  16.091   9.791
  459   HD13  LEU  56          HD13      LEU  56   0.573  14.679  10.603
  460   HD21  LEU  56          HD21      LEU  56   0.475  12.400   9.258
  461   HD22  LEU  56          HD22      LEU  56   1.430  12.323   7.755
  462   HD23  LEU  56          HD23      LEU  56   2.246  12.581   9.290
  463    H    GLU  57           H        GLU  57  -2.377  13.193   7.830
  464    HA   GLU  57           HA       GLU  57  -4.605  13.043   7.850
  465    HB2  GLU  57           HB2      GLU  57  -4.786  15.022   5.546
  466    HB3  GLU  57           HB3      GLU  57  -6.108  14.382   6.510
  467    HG2  GLU  57           HG2      GLU  57  -5.033  15.356   8.568
  468    HG3  GLU  57           HG3      GLU  57  -3.819  16.116   7.528
  469    H    ASN  58           H        ASN  58  -4.451  13.392   4.285
  470    HA   ASN  58           HA       ASN  58  -5.696  10.799   3.888
  471    HB2  ASN  58           HB2      ASN  58  -6.036  12.763   2.394
  472    HB3  ASN  58           HB3      ASN  58  -4.336  12.690   1.910
  473   HD21  ASN  58          HD22      ASN  58  -7.531  11.370   1.359
  474   HD22  ASN  58          HD21      ASN  58  -7.035  10.179   0.168
  475    H    GLU  59           H        GLU  59  -4.728   8.827   3.226
  476    HA   GLU  59           HA       GLU  59  -2.189   8.257   4.219
  477    HB2  GLU  59           HB2      GLU  59  -4.127   6.679   3.682
  478    HB3  GLU  59           HB3      GLU  59  -3.568   6.686   2.012
  479    HG2  GLU  59           HG2      GLU  59  -2.705   4.721   3.151
  480    HG3  GLU  59           HG3      GLU  59  -1.350   5.790   2.788
  481    H    LEU  60           H        LEU  60  -2.992   9.101   0.812
  482    HA   LEU  60           HA       LEU  60  -0.350   8.614  -0.199
  483    HB2  LEU  60           HB2      LEU  60  -2.745  10.201  -1.192
  484    HB3  LEU  60           HB3      LEU  60  -1.236  10.241  -2.050
  485    HG   LEU  60           HG       LEU  60  -2.816   8.687  -3.041
  486   HD11  LEU  60          HD11      LEU  60  -0.427   8.268  -3.373
  487   HD12  LEU  60          HD12      LEU  60  -0.372   7.254  -1.911
  488   HD13  LEU  60          HD13      LEU  60  -1.321   6.745  -3.317
  489   HD21  LEU  60          HD21      LEU  60  -3.490   6.598  -2.059
  490   HD22  LEU  60          HD22      LEU  60  -2.548   6.907  -0.594
  491   HD23  LEU  60          HD23      LEU  60  -3.974   7.912  -0.972
  492    H    LEU  61           H        LEU  61  -1.729  11.323   1.556
  493    HA   LEU  61           HA       LEU  61   0.694  12.984   1.140
  494    HB2  LEU  61           HB2      LEU  61  -1.791  13.424   2.833
  495    HB3  LEU  61           HB3      LEU  61  -0.476  14.581   2.644
  496    HG   LEU  61           HG       LEU  61  -2.342  13.627   0.432
  497   HD11  LEU  61          HD11      LEU  61  -3.394  15.127   2.085
  498   HD12  LEU  61          HD12      LEU  61  -2.089  16.309   1.857
  499   HD13  LEU  61          HD13      LEU  61  -3.200  15.929   0.517
  500   HD21  LEU  61          HD21      LEU  61  -0.154  14.134  -0.558
  501   HD22  LEU  61          HD22      LEU  61  -1.291  15.432  -0.936
  502   HD23  LEU  61          HD23      LEU  61  -0.076  15.672   0.336
  503    H    ARG  62           H        ARG  62  -0.348  10.513   3.379
  504    HA   ARG  62           HA       ARG  62   1.608  11.263   5.458
  505    HB2  ARG  62           HB2      ARG  62   0.063   8.680   5.005
  506    HB3  ARG  62           HB3      ARG  62   1.115   9.005   6.372
  507    HG2  ARG  62           HG2      ARG  62  -0.357  10.869   7.080
  508    HG3  ARG  62           HG3      ARG  62  -1.419  10.555   5.707
  509    HD2  ARG  62           HD2      ARG  62  -2.461   9.499   7.531
  510    HD3  ARG  62           HD3      ARG  62  -1.731   8.186   6.624
  511    HE   ARG  62           HE       ARG  62  -0.776   9.378   9.200
  512   HH11  ARG  62          HH21      ARG  62  -0.508   6.594   6.957
  513   HH12  ARG  62          HH22      ARG  62   0.339   5.661   8.156
  514   HH21  ARG  62          HH11      ARG  62   0.355   8.103  10.617
  515   HH22  ARG  62          HH12      ARG  62   0.837   6.498  10.167
  516    H    GLN  63           H        GLN  63   1.378   8.642   3.006
  517    HA   GLN  63           HA       GLN  63   4.326   8.083   3.357
  518    HB2  GLN  63           HB2      GLN  63   1.972   6.295   2.609
  519    HB3  GLN  63           HB3      GLN  63   3.666   5.792   2.605
  520    HG2  GLN  63           HG2      GLN  63   3.828   6.338   5.039
  521    HG3  GLN  63           HG3      GLN  63   2.103   6.731   5.049
  522   HE21  GLN  63          HE22      GLN  63   0.556   5.005   5.049
  523   HE22  GLN  63          HE21      GLN  63   1.074   3.315   5.148
  524    H    GLY  64           H        GLY  64   1.974   9.038   0.887
  525    HA2  GLY  64           HA2      GLY  64   3.232   7.695  -1.286
  526    HA3  GLY  64           HA3      GLY  64   2.086   9.044  -1.422
  527    H    LEU  65           H        LEU  65   3.843  10.923   0.090
  528    HA   LEU  65           HA       LEU  65   5.645  11.805  -2.007
  529    HB2  LEU  65           HB2      LEU  65   5.541  12.529   0.956
  530    HB3  LEU  65           HB3      LEU  65   6.531  13.328  -0.234
  531    HG   LEU  65           HG       LEU  65   4.838  14.809   0.015
  532   HD11  LEU  65          HD11      LEU  65   3.413  14.831  -1.968
  533   HD12  LEU  65          HD12      LEU  65   5.047  14.301  -2.401
  534   HD13  LEU  65          HD13      LEU  65   3.729  13.115  -2.261
  535   HD21  LEU  65          HD21      LEU  65   2.727  12.635   0.015
  536   HD22  LEU  65          HD22      LEU  65   3.413  13.401   1.467
  537   HD23  LEU  65          HD23      LEU  65   2.491  14.367   0.307
  538    H    LYS  66           H        LYS  66   6.189   9.911   0.992
  539    HA   LYS  66           HA       LYS  66   9.062   9.760   0.742
  540    HB2  LYS  66           HB2      LYS  66   7.169   7.739   2.020
  541    HB3  LYS  66           HB3      LYS  66   8.908   7.870   2.273
  542    HG2  LYS  66           HG2      LYS  66   8.562  10.127   3.307
  543    HG3  LYS  66           HG3      LYS  66   6.811   9.921   3.112
  544    HD2  LYS  66           HD2      LYS  66   6.952   7.795   4.456
  545    HD3  LYS  66           HD3      LYS  66   8.670   8.142   4.750
  546    HE2  LYS  66           HE2      LYS  66   8.018  10.319   5.818
  547    HE3  LYS  66           HE3      LYS  66   6.314   9.926   5.525
  548    HZ1  LYS  66           HZ1      LYS  66   8.128   8.324   7.259
  549    HZ2  LYS  66           HZ2      LYS  66   6.972   9.350   7.794
  550    HZ3  LYS  66           HZ3      LYS  66   6.552   7.998   6.984
  551    H    GLU  67           H        GLU  67   6.441   7.568  -0.357
  552    HA   GLU  67           HA       GLU  67   8.203   5.679  -1.618
  553    HB2  GLU  67           HB2      GLU  67   5.252   6.295  -1.951
  554    HB3  GLU  67           HB3      GLU  67   6.052   4.974  -2.804
  555    HG2  GLU  67           HG2      GLU  67   5.904   5.267   0.233
  556    HG3  GLU  67           HG3      GLU  67   4.854   4.254  -0.747
  557    H    TYR  68           H        TYR  68   6.488   8.552  -3.000
  558    HA   TYR  68           HA       TYR  68   7.321   8.081  -5.697
  559    HB2  TYR  68           HB2      TYR  68   5.425   9.518  -4.934
  560    HB3  TYR  68           HB3      TYR  68   6.572  10.695  -4.317
  561    HD1  TYR  68           HD2      TYR  68   7.898  12.102  -5.894
  562    HD2  TYR  68           HD1      TYR  68   4.977   9.259  -7.306
  563    HE1  TYR  68           HE2      TYR  68   7.845  13.257  -8.088
  564    HE2  TYR  68           HE1      TYR  68   4.927  10.416  -9.513
  565    HH   TYR  68           HH       TYR  68   6.919  13.304 -10.194
  566    H    SER  69           H        SER  69   8.748  10.135  -3.120
  567    HA   SER  69           HA       SER  69  10.958  10.987  -4.871
  568    HB2  SER  69           HB2      SER  69  11.664  12.349  -3.009
  569    HB3  SER  69           HB3      SER  69   9.932  12.564  -3.288
  570    HG   SER  69           HG       SER  69   9.484  11.346  -1.480
  571    H    SER  70           H        SER  70  10.555   8.390  -2.629
  572    HA   SER  70           HA       SER  70  11.879   6.718  -1.875
  573    HB2  SER  70           HB2      SER  70  14.226   7.854  -3.439
  574    HB3  SER  70           HB3      SER  70  14.104   6.270  -2.683
  575    HG   SER  70           HG       SER  70  12.459   7.232  -4.795
  576    H    TRP  71           H        TRP  71  12.307   9.950  -1.135
  577    HA   TRP  71           HA       TRP  71  14.545   9.789   0.680
  578    HB2  TRP  71           HB2      TRP  71  13.961  11.859  -0.414
  579    HB3  TRP  71           HB3      TRP  71  12.331  11.801   0.232
  580    HD1  TRP  71           HD1      TRP  71  11.892  13.194   2.262
  581    HE1  TRP  71           HE1      TRP  71  13.258  14.459   4.001
  582    HE3  TRP  71           HE3      TRP  71  16.563  11.495   1.005
  583    HZ2  TRP  71           HZ2      TRP  71  15.994  14.478   4.955
  584    HZ3  TRP  71           HZ3      TRP  71  18.532  12.144   2.369
  585    HH2  TRP  71           HH2      TRP  71  18.256  13.606   4.359
  586    HA   PRO  72           HA       PRO  72  12.005   8.239   4.141
  587    HB2  PRO  72           HB2      PRO  72  13.938   7.950   6.022
  588    HB3  PRO  72           HB3      PRO  72  13.803   6.841   4.618
  589    HG2  PRO  72           HG2      PRO  72  15.642   9.238   4.924
  590    HG3  PRO  72           HG3      PRO  72  16.060   7.589   4.359
  591    HD2  PRO  72           HD2      PRO  72  15.526   9.668   2.659
  592    HD3  PRO  72           HD3      PRO  72  15.120   7.972   2.251
  593    H    THR  73           H        THR  73  11.016   9.281   5.814
  594    HA   THR  73           HA       THR  73  10.220  10.916   7.167
  595    HB   THR  73           HB       THR  73  11.644  12.173   8.574
  596    HG1  THR  73           HG1      THR  73  13.447  11.718   6.514
  597   HG21  THR  73          HG21      THR  73  13.092  10.494   9.515
  598   HG22  THR  73          HG22      THR  73  11.598   9.714   8.972
  599   HG23  THR  73          HG23      THR  73  13.087   9.552   8.010
  600    H    PHE  74           H        PHE  74  11.027  13.632   7.514
  601    HA   PHE  74           HA       PHE  74  10.528  14.963   4.932
  602    HB2  PHE  74           HB2      PHE  74   8.631  14.954   7.320
  603    HB3  PHE  74           HB3      PHE  74   8.557  16.174   6.075
  604    HD1  PHE  74           HD1      PHE  74   8.524  15.193   3.552
  605    HD2  PHE  74           HD2      PHE  74   7.107  13.176   7.088
  606    HE1  PHE  74           HE1      PHE  74   6.981  13.856   2.167
  607    HE2  PHE  74           HE2      PHE  74   5.499  11.887   5.705
  608    HZ   PHE  74           HZ       PHE  74   5.436  12.206   3.248
  609    HA   PRO  75           HA       PRO  75   9.576  17.619   4.800
  610    HB2  PRO  75           HB2      PRO  75  11.921  19.458   4.317
  611    HB3  PRO  75           HB3      PRO  75  10.172  19.823   4.209
  612    HG2  PRO  75           HG2      PRO  75  11.513  20.597   6.394
  613    HG3  PRO  75           HG3      PRO  75   9.949  19.747   6.619
  614    HD2  PRO  75           HD2      PRO  75  12.750  18.571   6.723
  615    HD3  PRO  75           HD3      PRO  75  11.423  18.409   7.910
  616    H    GLN  76           H        GLN  76   9.885  17.935   2.380
  617    HA   GLN  76           HA       GLN  76  12.320  16.677   1.224
  618    HB2  GLN  76           HB2      GLN  76  10.196  15.089   1.368
  619    HB3  GLN  76           HB3      GLN  76   9.578  16.079   0.070
  620    HG2  GLN  76           HG2      GLN  76  11.872  14.129   0.105
  621    HG3  GLN  76           HG3      GLN  76  10.530  14.232  -1.020
  622   HE21  GLN  76          HE22      GLN  76  10.665  16.081  -2.705
  623   HE22  GLN  76          HE21      GLN  76  12.281  16.701  -3.036
  624    H    LEU  77           H        LEU  77  13.185  18.163  -0.143
  625    HA   LEU  77           HA       LEU  77  11.447  20.272  -1.341
  626    HB2  LEU  77           HB2      LEU  77  13.481  20.781   0.089
  627    HB3  LEU  77           HB3      LEU  77  14.473  20.121  -1.179
  628    HG   LEU  77           HG       LEU  77  12.624  22.527  -1.481
  629   HD11  LEU  77          HD11      LEU  77  15.648  22.350  -1.146
  630   HD12  LEU  77          HD12      LEU  77  14.718  23.840  -1.394
  631   HD13  LEU  77          HD13      LEU  77  14.497  22.905   0.090
  632   HD21  LEU  77          HD21      LEU  77  14.717  21.366  -3.383
  633   HD22  LEU  77          HD22      LEU  77  12.988  21.652  -3.705
  634   HD23  LEU  77          HD23      LEU  77  14.071  23.015  -3.511
  635    H    TYR  78           H        TYR  78  10.862  20.107  -3.392
  636    HA   TYR  78           HA       TYR  78  12.200  18.171  -5.238
  637    HB2  TYR  78           HB2      TYR  78   9.440  19.422  -5.363
  638    HB3  TYR  78           HB3      TYR  78  10.110  18.266  -6.493
  639    HD1  TYR  78           HD1      TYR  78   9.152  18.613  -2.862
  640    HD2  TYR  78           HD2      TYR  78   9.620  16.006  -6.265
  641    HE1  TYR  78           HE1      TYR  78   8.143  16.757  -1.580
  642    HE2  TYR  78           HE2      TYR  78   8.576  14.150  -4.969
  643    HH   TYR  78           HH       TYR  78   7.498  14.549  -1.597
  644    H    ILE  79           H        ILE  79  13.155  18.916  -7.053
  645    HA   ILE  79           HA       ILE  79  12.478  21.621  -8.113
  646    HB   ILE  79           HB       ILE  79  14.907  21.754  -8.867
  647   HG12  ILE  79          HG12      ILE  79  15.450  20.021  -6.418
  648   HG13  ILE  79          HG13      ILE  79  15.599  19.449  -8.079
  649   HG21  ILE  79          HG21      ILE  79  15.465  23.098  -6.943
  650   HG22  ILE  79          HG22      ILE  79  13.736  23.234  -7.245
  651   HG23  ILE  79          HG23      ILE  79  14.307  22.203  -5.924
  652   HD11  ILE  79          HD11      ILE  79  17.228  21.666  -6.787
  653   HD12  ILE  79          HD12      ILE  79  17.786  20.064  -7.302
  654   HD13  ILE  79          HD13      ILE  79  17.293  21.258  -8.520
  655    H    ASP  80           H        ASP  80  11.542  21.374  -9.952
  656    HA   ASP  80           HA       ASP  80  10.939  20.712 -12.007
  657    HB2  ASP  80           HB2      ASP  80  13.272  21.747 -12.179
  658    HB3  ASP  80           HB3      ASP  80  13.880  20.116 -12.444
  659    H    GLY  81           H        GLY  81  11.149  18.440  -9.973
  660    HA2  GLY  81           HA2      GLY  81  10.121  16.275 -10.265
  661    HA3  GLY  81           HA3      GLY  81  10.917  16.109 -11.843
  662    H    GLU  82           H        GLU  82  13.269  17.370  -9.871
  663    HA   GLU  82           HA       GLU  82  14.317  14.701  -9.058
  664    HB2  GLU  82           HB2      GLU  82  15.652  16.110 -10.615
  665    HB3  GLU  82           HB3      GLU  82  15.787  17.350  -9.360
  666    HG2  GLU  82           HG2      GLU  82  17.069  15.867  -7.938
  667    HG3  GLU  82           HG3      GLU  82  16.711  14.471  -8.968
  668    H    PHE  83           H        PHE  83  15.154  14.382  -6.989
  669    HA   PHE  83           HA       PHE  83  13.777  15.938  -4.873
  670    HB2  PHE  83           HB2      PHE  83  15.049  13.202  -4.610
  671    HB3  PHE  83           HB3      PHE  83  13.783  13.908  -3.621
  672    HD1  PHE  83           HD2      PHE  83  11.587  14.626  -5.099
  673    HD2  PHE  83           HD1      PHE  83  14.418  11.553  -6.149
  674    HE1  PHE  83           HE2      PHE  83   9.922  13.607  -6.629
  675    HE2  PHE  83           HE1      PHE  83  12.751  10.539  -7.677
  676    HZ   PHE  83           HZ       PHE  83  10.493  11.566  -7.928
  677    H    PHE  84           H        PHE  84  14.866  17.036  -3.329
  678    HA   PHE  84           HA       PHE  84  17.820  17.142  -3.493
  679    HB2  PHE  84           HB2      PHE  84  15.987  19.092  -3.549
  680    HB3  PHE  84           HB3      PHE  84  16.110  18.941  -1.804
  681    HD1  PHE  84           HD2      PHE  84  18.322  19.427  -0.656
  682    HD2  PHE  84           HD1      PHE  84  17.699  20.056  -4.871
  683    HE1  PHE  84           HE2      PHE  84  20.365  20.838  -0.752
  684    HE2  PHE  84           HE1      PHE  84  19.717  21.496  -4.956
  685    HZ   PHE  84           HZ       PHE  84  21.058  21.880  -2.903
  686    H    GLY  85           H        GLY  85  15.285  16.183  -1.229
  687    HA2  GLY  85           HA2      GLY  85  15.678  14.844   0.738
  688    HA3  GLY  85           HA3      GLY  85  17.267  15.609   0.945
  689    H    GLY  86           H        GLY  86  16.660  16.116   3.086
  690    HA2  GLY  86           HA2      GLY  86  14.356  17.847   3.663
  691    HA3  GLY  86           HA3      GLY  86  15.513  17.178   4.829
  692    H    CYS  87           H        CYS  87  14.610  19.669   5.171
  693    HA   CYS  87           HA       CYS  87  15.842  21.801   3.887
  694    HB2  CYS  87           HB2      CYS  87  14.786  21.441   6.738
  695    HB3  CYS  87           HB3      CYS  87  15.294  23.020   6.102
  696    HG   CYS  87           HG       CYS  87  12.555  22.572   6.022
  697    H    ASP  88           H        ASP  88  17.267  19.933   6.581
  698    HA   ASP  88           HA       ASP  88  19.443  21.687   7.130
  699    HB2  ASP  88           HB2      ASP  88  18.748  19.779   8.535
  700    HB3  ASP  88           HB3      ASP  88  19.315  18.656   7.296
  701    H    ILE  89           H        ILE  89  19.109  19.109   4.683
  702    HA   ILE  89           HA       ILE  89  21.793  19.349   3.578
  703    HB   ILE  89           HB       ILE  89  19.230  18.252   2.342
  704   HG12  ILE  89          HG12      ILE  89  21.598  16.854   3.677
  705   HG13  ILE  89          HG13      ILE  89  20.000  17.050   4.393
  706   HG21  ILE  89          HG21      ILE  89  22.108  17.934   1.387
  707   HG22  ILE  89          HG22      ILE  89  20.669  17.170   0.672
  708   HG23  ILE  89          HG23      ILE  89  20.858  18.907   0.589
  709   HD11  ILE  89          HD11      ILE  89  20.166  14.819   3.583
  710   HD12  ILE  89          HD12      ILE  89  19.016  15.685   2.545
  711   HD13  ILE  89          HD13      ILE  89  20.672  15.343   1.972
  712    H    THR  90           H        THR  90  18.644  20.901   2.771
  713    HA   THR  90           HA       THR  90  19.577  22.514   0.611
  714    HB   THR  90           HB       THR  90  17.457  23.273   2.651
  715    HG1  THR  90           HG1      THR  90  17.224  21.678   0.322
  716   HG21  THR  90          HG21      THR  90  17.795  23.955  -0.296
  717   HG22  THR  90          HG22      THR  90  16.393  24.368   0.703
  718   HG23  THR  90          HG23      THR  90  17.962  25.083   1.073
  719    H    VAL  91           H        VAL  91  19.476  23.261   4.122
  720    HA   VAL  91           HA       VAL  91  20.641  25.862   3.879
  721    HB   VAL  91           HB       VAL  91  20.600  23.896   6.195
  722   HG11  VAL  91          HG11      VAL  91  21.248  25.813   7.662
  723   HG12  VAL  91          HG12      VAL  91  22.562  25.307   6.602
  724   HG13  VAL  91          HG13      VAL  91  21.623  26.771   6.215
  725   HG21  VAL  91          HG21      VAL  91  19.134  26.534   5.714
  726   HG22  VAL  91          HG22      VAL  91  18.423  24.932   5.477
  727   HG23  VAL  91          HG23      VAL  91  18.911  25.440   7.096
  728    H    GLU  92           H        GLU  92  22.296  22.659   4.339
  729    HA   GLU  92           HA       GLU  92  24.953  23.779   4.381
  730    HB2  GLU  92           HB2      GLU  92  23.934  21.010   3.643
  731    HB3  GLU  92           HB3      GLU  92  25.642  21.454   3.680
  732    HG2  GLU  92           HG2      GLU  92  25.362  22.173   6.070
  733    HG3  GLU  92           HG3      GLU  92  23.741  21.484   6.055
  734    H    ALA  93           H        ALA  93  22.918  22.549   1.668
  735    HA   ALA  93           HA       ALA  93  24.894  22.928  -0.352
  736    HB1  ALA  93           HB1      ALA  93  22.955  21.426  -0.547
  737    HB2  ALA  93           HB2      ALA  93  21.857  22.821  -0.517
  738    HB3  ALA  93           HB3      ALA  93  22.985  22.597  -1.873
  739    H    TYR  94           H        TYR  94  22.494  25.208   0.987
  740    HA   TYR  94           HA       TYR  94  23.016  27.328  -0.908
  741    HB2  TYR  94           HB2      TYR  94  21.031  27.187   0.579
  742    HB3  TYR  94           HB3      TYR  94  22.059  27.410   1.979
  743    HD1  TYR  94           HD1      TYR  94  21.347  29.084  -1.340
  744    HD2  TYR  94           HD2      TYR  94  22.203  29.577   2.859
  745    HE1  TYR  94           HE1      TYR  94  21.035  31.538  -1.569
  746    HE2  TYR  94           HE2      TYR  94  21.888  32.031   2.638
  747    HH   TYR  94           HH       TYR  94  21.391  33.768   1.223
  748    H    LYS  95           H        LYS  95  24.599  26.341   2.137
  749    HA   LYS  95           HA       LYS  95  26.417  28.614   2.226
  750    HB2  LYS  95           HB2      LYS  95  26.350  25.926   3.647
  751    HB3  LYS  95           HB3      LYS  95  27.614  27.130   3.913
  752    HG2  LYS  95           HG2      LYS  95  25.978  28.792   4.639
  753    HG3  LYS  95           HG3      LYS  95  24.639  27.684   4.308
  754    HD2  LYS  95           HD2      LYS  95  25.529  26.102   6.012
  755    HD3  LYS  95           HD3      LYS  95  26.862  27.229   6.342
  756    HE2  LYS  95           HE2      LYS  95  25.168  28.988   6.951
  757    HE3  LYS  95           HE3      LYS  95  23.877  27.798   6.707
  758    HZ1  LYS  95           HZ1      LYS  95  26.057  27.585   8.718
  759    HZ2  LYS  95           HZ2      LYS  95  24.504  27.959   9.043
  760    HZ3  LYS  95           HZ3      LYS  95  24.887  26.462   8.499
  761    H    SER  96           H        SER  96  26.715  25.333   0.716
  762    HA   SER  96           HA       SER  96  29.497  25.898  -0.086
  763    HB2  SER  96           HB2      SER  96  29.285  23.690  -1.180
  764    HB3  SER  96           HB3      SER  96  28.841  23.645   0.531
  765    HG   SER  96           HG       SER  96  27.401  22.526  -0.985
  766    H    GLY  97           H        GLY  97  26.368  26.584  -1.423
  767    HA2  GLY  97           HA2      GLY  97  25.918  27.865  -3.352
  768    HA3  GLY  97           HA3      GLY  97  27.532  27.487  -4.011
  769    H    GLU  98           H        GLU  98  26.195  24.647  -2.881
  770    HA   GLU  98           HA       GLU  98  25.814  23.533  -5.537
  771    HB2  GLU  98           HB2      GLU  98  25.235  22.437  -2.753
  772    HB3  GLU  98           HB3      GLU  98  25.165  21.494  -4.250
  773    HG2  GLU  98           HG2      GLU  98  27.555  21.893  -4.657
  774    HG3  GLU  98           HG3      GLU  98  27.655  22.922  -3.225
  775    H    LEU  99           H        LEU  99  23.597  24.822  -3.045
  776    HA   LEU  99           HA       LEU  99  21.173  23.926  -4.365
  777    HB2  LEU  99           HB2      LEU  99  21.278  24.656  -1.969
  778    HB3  LEU  99           HB3      LEU  99  21.649  26.296  -2.496
  779    HG   LEU  99           HG       LEU  99  19.415  26.365  -3.676
  780   HD11  LEU  99          HD11      LEU  99  18.978  23.967  -3.985
  781   HD12  LEU  99          HD12      LEU  99  18.975  23.719  -2.228
  782   HD13  LEU  99          HD13      LEU  99  17.698  24.686  -3.001
  783   HD21  LEU  99          HD21      LEU  99  18.093  26.602  -1.579
  784   HD22  LEU  99          HD22      LEU  99  19.427  25.822  -0.688
  785   HD23  LEU  99          HD23      LEU  99  19.677  27.381  -1.491
  786    H    GLN 100           H        GLN 100  23.030  27.005  -4.485
  787    HA   GLN 100           HA       GLN 100  21.403  28.339  -6.400
  788    HB2  GLN 100           HB2      GLN 100  23.153  29.436  -5.067
  789    HB3  GLN 100           HB3      GLN 100  24.411  28.512  -5.890
  790    HG2  GLN 100           HG2      GLN 100  23.874  29.612  -8.032
  791    HG3  GLN 100           HG3      GLN 100  22.563  30.512  -7.266
  792   HE21  GLN 100          HE22      GLN 100  23.310  31.955  -5.290
  793   HE22  GLN 100          HE21      GLN 100  24.869  32.728  -5.498
  794    H    GLU 101           H        GLU 101  24.266  26.213  -6.972
  795    HA   GLU 101           HA       GLU 101  24.208  26.262  -9.779
  796    HB2  GLU 101           HB2      GLU 101  25.982  25.290  -8.278
  797    HB3  GLU 101           HB3      GLU 101  24.923  23.924  -7.960
  798    HG2  GLU 101           HG2      GLU 101  26.526  23.265  -9.615
  799    HG3  GLU 101           HG3      GLU 101  24.951  23.352 -10.397
  800    H    GLN 102           H        GLN 102  22.528  23.865  -7.606
  801    HA   GLN 102           HA       GLN 102  21.299  22.530  -9.830
  802    HB2  GLN 102           HB2      GLN 102  20.760  22.437  -6.852
  803    HB3  GLN 102           HB3      GLN 102  19.947  21.397  -8.041
  804    HG2  GLN 102           HG2      GLN 102  21.988  20.332  -8.706
  805    HG3  GLN 102           HG3      GLN 102  22.987  21.497  -7.842
  806   HE21  GLN 102          HE22      GLN 102  22.798  21.539  -5.434
  807   HE22  GLN 102          HE21      GLN 102  22.444  20.012  -4.611
  808    H    VAL 103           H        VAL 103  20.061  25.112  -7.662
  809    HA   VAL 103           HA       VAL 103  17.374  25.026  -8.722
  810    HB   VAL 103           HB       VAL 103  18.891  27.157  -7.202
  811   HG11  VAL 103          HG11      VAL 103  17.207  28.396  -8.435
  812   HG12  VAL 103          HG12      VAL 103  15.955  27.196  -8.033
  813   HG13  VAL 103          HG13      VAL 103  16.659  28.231  -6.771
  814   HG21  VAL 103          HG21      VAL 103  17.436  26.441  -5.330
  815   HG22  VAL 103          HG22      VAL 103  16.554  25.337  -6.398
  816   HG23  VAL 103          HG23      VAL 103  18.244  25.016  -5.993
  817    H    GLU 104           H        GLU 104  20.306  26.936  -9.664
  818    HA   GLU 104           HA       GLU 104  19.016  28.397 -11.750
  819    HB2  GLU 104           HB2      GLU 104  21.255  28.922 -10.870
  820    HB3  GLU 104           HB3      GLU 104  21.907  27.442 -11.591
  821    HG2  GLU 104           HG2      GLU 104  21.358  28.269 -13.844
  822    HG3  GLU 104           HG3      GLU 104  20.551  29.684 -13.157
  823    H    LYS 105           H        LYS 105  20.686  25.175 -11.830
  824    HA   LYS 105           HA       LYS 105  20.040  24.596 -14.551
  825    HB2  LYS 105           HB2      LYS 105  20.634  22.836 -12.144
  826    HB3  LYS 105           HB3      LYS 105  20.351  22.182 -13.764
  827    HG2  LYS 105           HG2      LYS 105  22.245  23.389 -14.685
  828    HG3  LYS 105           HG3      LYS 105  22.483  24.283 -13.189
  829    HD2  LYS 105           HD2      LYS 105  24.156  22.552 -13.308
  830    HD3  LYS 105           HD3      LYS 105  23.050  22.220 -11.984
  831    HE2  LYS 105           HE2      LYS 105  23.516  20.137 -13.053
  832    HE3  LYS 105           HE3      LYS 105  21.844  20.551 -13.432
  833    HZ1  LYS 105           HZ1      LYS 105  22.616  21.315 -15.629
  834    HZ2  LYS 105           HZ2      LYS 105  24.167  20.958 -15.247
  835    HZ3  LYS 105           HZ3      LYS 105  23.061  19.765 -15.383
  836    H    ALA 106           H        ALA 106  18.080  24.023 -11.595
  837    HA   ALA 106           HA       ALA 106  15.918  22.689 -12.910
  838    HB1  ALA 106           HB1      ALA 106  16.307  22.737 -10.452
  839    HB2  ALA 106           HB2      ALA 106  15.875  24.460 -10.415
  840    HB3  ALA 106           HB3      ALA 106  14.662  23.259 -10.872
  841    H    MET 107           H        MET 107  16.550  26.194 -12.489
  842    HA   MET 107           HA       MET 107  14.040  27.022 -13.723
  843    HB2  MET 107           HB2      MET 107  16.623  28.505 -13.133
  844    HB3  MET 107           HB3      MET 107  15.189  29.255 -13.852
  845    HG2  MET 107           HG2      MET 107  13.831  28.482 -11.894
  846    HG3  MET 107           HG3      MET 107  15.297  27.899 -11.127
  847    HE1  MET 107           HE1      MET 107  17.318  29.451 -10.449
  848    HE2  MET 107           HE2      MET 107  17.390  30.386 -11.958
  849    HE3  MET 107           HE3      MET 107  17.264  31.229 -10.402
  850    H    CYS 108           H        CYS 108  17.382  26.620 -14.969
  851    HA   CYS 108           HA       CYS 108  16.745  27.523 -17.633
  852    HB2  CYS 108           HB2      CYS 108  19.055  25.791 -16.618
  853    HB3  CYS 108           HB3      CYS 108  18.964  26.572 -18.203
  854    HG   CYS 108           HG       CYS 108  19.040  27.908 -15.171
  855    H    SER 109           H        SER 109  16.845  24.313 -16.195
  856    HA   SER 109           HA       SER 109  16.719  22.210 -17.061
  857    HB2  SER 109           HB2      SER 109  14.428  21.547 -17.236
  858    HB3  SER 109           HB3      SER 109  14.601  22.786 -15.977
  859    HG   SER 109           HG       SER 109  14.097  23.357 -18.669
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  -4.911  -0.419 -10.277
    2    H2   MET   1           H2       MET   1  -5.689   0.210  -8.989
    3    H3   MET   1           H3       MET   1  -5.080   1.206 -10.137
    4    HA   MET   1           HA       MET   1  -3.482  -0.513  -8.338
    5    HB2  MET   1           HB2      MET   1  -2.560   1.522 -10.422
    6    HB3  MET   1           HB3      MET   1  -1.524   0.815  -9.178
    7    HG2  MET   1           HG2      MET   1  -1.950  -1.446 -10.089
    8    HG3  MET   1           HG3      MET   1  -2.943  -0.736 -11.376
    9    HE1  MET   1           HE1      MET   1  -1.527  -2.025 -13.193
   10    HE2  MET   1           HE2      MET   1   0.246  -1.954 -13.295
   11    HE3  MET   1           HE3      MET   1  -0.529  -2.737 -11.904
   12    H    ALA   2           H        ALA   2  -2.592   0.445  -6.494
   13    HA   ALA   2           HA       ALA   2  -3.950   2.801  -5.450
   14    HB1  ALA   2           HB1      ALA   2  -3.395   0.832  -4.052
   15    HB2  ALA   2           HB2      ALA   2  -1.661   1.115  -4.328
   16    HB3  ALA   2           HB3      ALA   2  -2.629   2.300  -3.428
   17    H    LEU   3           H        LEU   3  -3.001   4.692  -4.728
   18    HA   LEU   3           HA       LEU   3  -1.755   6.561  -4.643
   19    HB2  LEU   3           HB2      LEU   3   0.653   4.966  -5.608
   20    HB3  LEU   3           HB3      LEU   3   0.650   6.513  -4.780
   21    HG   LEU   3           HG       LEU   3  -0.141   3.825  -3.587
   22   HD11  LEU   3          HD11      LEU   3   2.282   4.172  -3.943
   23   HD12  LEU   3          HD12      LEU   3   2.203   5.697  -3.032
   24   HD13  LEU   3          HD13      LEU   3   1.878   4.155  -2.218
   25   HD21  LEU   3          HD21      LEU   3  -1.542   5.549  -2.561
   26   HD22  LEU   3          HD22      LEU   3  -0.287   5.048  -1.420
   27   HD23  LEU   3          HD23      LEU   3  -0.127   6.589  -2.291
   28    H    THR   4           H        THR   4  -0.828   4.869  -7.634
   29    HA   THR   4           HA       THR   4   0.039   6.848  -9.198
   30    HB   THR   4           HB       THR   4  -1.749   4.586 -10.162
   31    HG1  THR   4           HG1      THR   4   0.161   3.414 -10.030
   32   HG21  THR   4          HG21      THR   4   0.673   6.020 -11.300
   33   HG22  THR   4          HG22      THR   4  -0.158   4.625 -12.044
   34   HG23  THR   4          HG23      THR   4  -0.998   6.187 -11.904
   35    HA   PRO   5           HA       PRO   5  -4.033   8.366 -10.989
   36    HB2  PRO   5           HB2      PRO   5  -6.496   7.764  -9.992
   37    HB3  PRO   5           HB3      PRO   5  -5.597   6.662 -11.079
   38    HG2  PRO   5           HG2      PRO   5  -5.700   6.591  -8.036
   39    HG3  PRO   5           HG3      PRO   5  -6.019   5.247  -9.180
   40    HD2  PRO   5           HD2      PRO   5  -3.598   5.568  -8.035
   41    HD3  PRO   5           HD3      PRO   5  -3.743   5.050  -9.737
   42    H    ALA   6           H        ALA   6  -3.449   8.480  -7.557
   43    HA   ALA   6           HA       ALA   6  -4.907  11.102  -7.327
   44    HB1  ALA   6           HB1      ALA   6  -6.071   9.345  -6.113
   45    HB2  ALA   6           HB2      ALA   6  -4.586   8.866  -5.265
   46    HB3  ALA   6           HB3      ALA   6  -5.314  10.460  -4.963
   47    H    LEU   7           H        LEU   7  -2.467   9.346  -5.353
   48    HA   LEU   7           HA       LEU   7  -1.187  11.756  -4.488
   49    HB2  LEU   7           HB2      LEU   7  -1.163   9.676  -3.176
   50    HB3  LEU   7           HB3      LEU   7  -0.290   8.827  -4.450
   51    HG   LEU   7           HG       LEU   7   1.675  10.321  -4.110
   52   HD11  LEU   7          HD11      LEU   7   0.596  12.346  -3.249
   53   HD12  LEU   7          HD12      LEU   7   0.007  11.464  -1.826
   54   HD13  LEU   7          HD13      LEU   7   1.749  11.744  -2.059
   55   HD21  LEU   7          HD21      LEU   7   0.704   8.930  -1.589
   56   HD22  LEU   7          HD22      LEU   7   1.590   8.189  -2.943
   57   HD23  LEU   7          HD23      LEU   7   2.380   9.413  -1.938
   58    H    LYS   8           H        LYS   8   0.100   9.202  -6.720
   59    HA   LYS   8           HA       LYS   8   2.426  10.801  -7.300
   60    HB2  LYS   8           HB2      LYS   8   1.337   8.488  -8.935
   61    HB3  LYS   8           HB3      LYS   8   2.970   9.138  -8.973
   62    HG2  LYS   8           HG2      LYS   8   3.072   8.585  -6.430
   63    HG3  LYS   8           HG3      LYS   8   1.638   7.596  -6.719
   64    HD2  LYS   8           HD2      LYS   8   4.372   7.266  -8.027
   65    HD3  LYS   8           HD3      LYS   8   3.662   6.236  -6.778
   66    HE2  LYS   8           HE2      LYS   8   1.817   5.623  -8.363
   67    HE3  LYS   8           HE3      LYS   8   2.589   6.620  -9.615
   68    HZ1  LYS   8           HZ1      LYS   8   3.184   4.276  -9.830
   69    HZ2  LYS   8           HZ2      LYS   8   4.524   5.151  -9.493
   70    HZ3  LYS   8           HZ3      LYS   8   3.822   4.235  -8.327
   71    H    THR   9           H        THR   9  -0.713  10.599  -8.923
   72    HA   THR   9           HA       THR   9  -0.160  12.201 -11.224
   73    HB   THR   9           HB       THR   9  -2.591  11.441  -9.666
   74    HG1  THR   9           HG1      THR   9  -1.796   9.852 -10.961
   75   HG21  THR   9          HG21      THR   9  -2.472  13.187 -12.137
   76   HG22  THR   9          HG22      THR   9  -3.936  12.349 -11.552
   77   HG23  THR   9          HG23      THR   9  -3.179  13.599 -10.551
   78    H    THR  10           H        THR  10  -1.326  13.119  -7.927
   79    HA   THR  10           HA       THR  10  -1.455  15.946  -8.477
   80    HB   THR  10           HB       THR  10  -1.081  14.516  -5.807
   81    HG1  THR  10           HG1      THR  10  -2.938  13.841  -6.706
   82   HG21  THR  10          HG21      THR  10  -0.591  16.922  -5.586
   83   HG22  THR  10          HG22      THR  10  -2.066  17.331  -6.485
   84   HG23  THR  10          HG23      THR  10  -2.176  16.566  -4.886
   85    H    LEU  11           H        LEU  11   1.069  13.942  -6.920
   86    HA   LEU  11           HA       LEU  11   2.990  15.972  -6.469
   87    HB2  LEU  11           HB2      LEU  11   3.321  13.008  -7.082
   88    HB3  LEU  11           HB3      LEU  11   4.640  14.061  -6.582
   89    HG   LEU  11           HG       LEU  11   2.150  13.549  -4.897
   90   HD11  LEU  11          HD11      LEU  11   3.568  11.517  -5.188
   91   HD12  LEU  11          HD12      LEU  11   4.970  12.436  -4.603
   92   HD13  LEU  11          HD13      LEU  11   3.605  12.127  -3.519
   93   HD21  LEU  11          HD21      LEU  11   3.517  14.540  -3.068
   94   HD22  LEU  11          HD22      LEU  11   4.773  14.956  -4.252
   95   HD23  LEU  11          HD23      LEU  11   3.162  15.709  -4.333
   96    H    ASP  12           H        ASP  12   2.795  13.803  -9.353
   97    HA   ASP  12           HA       ASP  12   4.854  14.979 -10.850
   98    HB2  ASP  12           HB2      ASP  12   3.743  12.868 -11.423
   99    HB3  ASP  12           HB3      ASP  12   2.252  13.735 -11.816
  100    H    LYS  13           H        LYS  13   1.350  15.887 -10.873
  101    HA   LYS  13           HA       LYS  13   1.605  18.077 -12.682
  102    HB2  LYS  13           HB2      LYS  13  -0.378  17.453 -10.453
  103    HB3  LYS  13           HB3      LYS  13  -0.500  18.909 -11.452
  104    HG2  LYS  13           HG2      LYS  13  -0.652  17.589 -13.495
  105    HG3  LYS  13           HG3      LYS  13  -0.419  16.084 -12.593
  106    HD2  LYS  13           HD2      LYS  13  -2.521  16.486 -11.345
  107    HD3  LYS  13           HD3      LYS  13  -2.750  18.020 -12.223
  108    HE2  LYS  13           HE2      LYS  13  -2.771  16.746 -14.382
  109    HE3  LYS  13           HE3      LYS  13  -2.607  15.234 -13.478
  110    HZ1  LYS  13           HZ1      LYS  13  -4.922  15.681 -14.034
  111    HZ2  LYS  13           HZ2      LYS  13  -4.751  15.745 -12.406
  112    HZ3  LYS  13           HZ3      LYS  13  -4.891  17.126 -13.276
  113    H    VAL  14           H        VAL  14   1.742  18.252  -9.002
  114    HA   VAL  14           HA       VAL  14   2.318  21.024  -9.189
  115    HB   VAL  14           HB       VAL  14   2.784  21.039  -6.896
  116   HG11  VAL  14          HG11      VAL  14   0.370  19.298  -7.423
  117   HG12  VAL  14          HG12      VAL  14   0.627  20.365  -6.035
  118   HG13  VAL  14          HG13      VAL  14   0.459  21.052  -7.657
  119   HG21  VAL  14          HG21      VAL  14   4.054  18.980  -6.509
  120   HG22  VAL  14          HG22      VAL  14   2.701  19.138  -5.386
  121   HG23  VAL  14          HG23      VAL  14   2.573  18.039  -6.767
  122    H    VAL  15           H        VAL  15   4.610  18.235  -8.983
  123    HA   VAL  15           HA       VAL  15   6.853  20.055  -8.644
  124    HB   VAL  15           HB       VAL  15   8.336  18.225  -8.806
  125   HG11  VAL  15          HG11      VAL  15   7.473  16.757  -7.009
  126   HG12  VAL  15          HG12      VAL  15   7.221  18.478  -6.686
  127   HG13  VAL  15          HG13      VAL  15   5.867  17.457  -7.196
  128   HG21  VAL  15          HG21      VAL  15   7.613  16.947 -10.666
  129   HG22  VAL  15          HG22      VAL  15   7.529  15.874  -9.265
  130   HG23  VAL  15          HG23      VAL  15   6.053  16.594  -9.925
  131    H    THR  16           H        THR  16   5.138  19.125 -11.506
  132    HA   THR  16           HA       THR  16   7.382  20.114 -13.234
  133    HB   THR  16           HB       THR  16   6.025  19.365 -15.127
  134    HG1  THR  16           HG1      THR  16   4.378  18.033 -13.270
  135   HG21  THR  16          HG21      THR  16   7.691  17.835 -14.169
  136   HG22  THR  16          HG22      THR  16   6.490  17.184 -13.039
  137   HG23  THR  16          HG23      THR  16   6.290  16.946 -14.787
  138    H    SER  17           H        SER  17   3.956  20.896 -12.447
  139    HA   SER  17           HA       SER  17   3.957  23.199 -14.208
  140    HB2  SER  17           HB2      SER  17   1.952  21.843 -13.568
  141    HB3  SER  17           HB3      SER  17   2.043  22.542 -11.938
  142    HG   SER  17           HG       SER  17   0.611  23.723 -13.269
  143    H    HIS  18           H        HIS  18   4.053  22.947 -10.579
  144    HA   HIS  18           HA       HIS  18   4.691  25.826 -10.385
  145    HB2  HIS  18           HB2      HIS  18   4.528  23.773  -8.149
  146    HB3  HIS  18           HB3      HIS  18   4.411  25.523  -8.029
  147    HD1  HIS  18           HD1      HIS  18   2.116  23.326  -7.094
  148    HD2  HIS  18           HD2      HIS  18   2.167  25.830 -10.476
  149    HE1  HIS  18           HE1      HIS  18  -0.307  23.594  -7.817
  150    H    LYS  19           H        LYS  19   6.442  22.915 -10.642
  151    HA   LYS  19           HA       LYS  19   8.599  22.332 -10.728
  152    HB2  LYS  19           HB2      LYS  19   8.930  25.331 -11.083
  153    HB3  LYS  19           HB3      LYS  19  10.275  24.177 -11.203
  154    HG2  LYS  19           HG2      LYS  19   9.056  22.887 -12.917
  155    HG3  LYS  19           HG3      LYS  19   7.711  24.045 -12.836
  156    HD2  LYS  19           HD2      LYS  19   9.064  25.817 -13.754
  157    HD3  LYS  19           HD3      LYS  19  10.549  24.876 -13.544
  158    HE2  LYS  19           HE2      LYS  19   9.879  24.870 -15.896
  159    HE3  LYS  19           HE3      LYS  19   9.843  23.245 -15.216
  160    HZ1  LYS  19           HZ1      LYS  19   7.880  23.720 -16.577
  161    HZ2  LYS  19           HZ2      LYS  19   7.428  23.399 -15.039
  162    HZ3  LYS  19           HZ3      LYS  19   7.437  24.950 -15.595
  163    H    VAL  20           H        VAL  20   8.445  24.983  -8.351
  164    HA   VAL  20           HA       VAL  20  10.571  23.583  -6.737
  165    HB   VAL  20           HB       VAL  20   9.499  26.408  -6.406
  166   HG11  VAL  20          HG11      VAL  20  11.569  26.710  -5.024
  167   HG12  VAL  20          HG12      VAL  20  10.489  25.488  -4.335
  168   HG13  VAL  20          HG13      VAL  20  11.939  24.986  -5.235
  169   HG21  VAL  20          HG21      VAL  20  11.619  27.212  -7.393
  170   HG22  VAL  20          HG22      VAL  20  12.073  25.544  -7.787
  171   HG23  VAL  20          HG23      VAL  20  10.664  26.297  -8.560
  172    H    VAL  21           H        VAL  21   9.800  22.277  -5.130
  173    HA   VAL  21           HA       VAL  21   7.287  23.118  -3.720
  174    HB   VAL  21           HB       VAL  21   7.828  20.254  -4.580
  175   HG11  VAL  21          HG11      VAL  21   6.326  20.516  -2.615
  176   HG12  VAL  21          HG12      VAL  21   5.312  21.641  -3.547
  177   HG13  VAL  21          HG13      VAL  21   5.433  19.946  -4.027
  178   HG21  VAL  21          HG21      VAL  21   5.990  20.568  -6.248
  179   HG22  VAL  21          HG22      VAL  21   6.029  22.313  -5.937
  180   HG23  VAL  21          HG23      VAL  21   7.437  21.494  -6.651
  181    H    LEU  22           H        LEU  22   7.246  22.841  -1.597
  182    HA   LEU  22           HA       LEU  22   9.520  21.477  -0.194
  183    HB2  LEU  22           HB2      LEU  22   8.018  24.056   0.282
  184    HB3  LEU  22           HB3      LEU  22   8.340  23.080   1.703
  185    HG   LEU  22           HG       LEU  22   9.976  24.826   1.414
  186   HD11  LEU  22          HD11      LEU  22  11.272  22.100   0.954
  187   HD12  LEU  22          HD12      LEU  22  12.001  23.515   1.727
  188   HD13  LEU  22          HD13      LEU  22  10.643  22.690   2.506
  189   HD21  LEU  22          HD21      LEU  22   9.947  25.043  -1.028
  190   HD22  LEU  22          HD22      LEU  22  11.598  24.826  -0.416
  191   HD23  LEU  22          HD23      LEU  22  10.759  23.472  -1.200
  192    H    PHE  23           H        PHE  23   9.020  19.879   1.192
  193    HA   PHE  23           HA       PHE  23   6.132  19.293   1.751
  194    HB2  PHE  23           HB2      PHE  23   8.443  17.457   1.069
  195    HB3  PHE  23           HB3      PHE  23   6.912  16.895   1.691
  196    HD1  PHE  23           HD1      PHE  23   4.771  17.375   0.346
  197    HD2  PHE  23           HD2      PHE  23   8.729  17.928  -1.272
  198    HE1  PHE  23           HE1      PHE  23   3.853  17.193  -1.949
  199    HE2  PHE  23           HE2      PHE  23   7.803  17.703  -3.578
  200    HZ   PHE  23           HZ       PHE  23   5.373  17.351  -3.912
  201    H    MET  24           H        MET  24   5.679  19.513   3.787
  202    HA   MET  24           HA       MET  24   7.125  18.392   6.009
  203    HB2  MET  24           HB2      MET  24   7.750  20.479   7.133
  204    HB3  MET  24           HB3      MET  24   8.608  20.324   5.624
  205    HG2  MET  24           HG2      MET  24   7.152  21.901   4.513
  206    HG3  MET  24           HG3      MET  24   6.111  22.026   5.937
  207    HE1  MET  24           HE1      MET  24   7.971  25.480   5.523
  208    HE2  MET  24           HE2      MET  24   7.495  24.327   4.260
  209    HE3  MET  24           HE3      MET  24   6.388  24.661   5.617
  210    H    LYS  25           H        LYS  25   5.943  19.860   8.124
  211    HA   LYS  25           HA       LYS  25   3.073  19.172   7.742
  212    HB2  LYS  25           HB2      LYS  25   4.641  20.206  10.142
  213    HB3  LYS  25           HB3      LYS  25   2.937  19.746  10.156
  214    HG2  LYS  25           HG2      LYS  25   3.551  17.450   9.446
  215    HG3  LYS  25           HG3      LYS  25   5.264  17.867   9.548
  216    HD2  LYS  25           HD2      LYS  25   3.283  17.946  11.869
  217    HD3  LYS  25           HD3      LYS  25   4.440  16.648  11.541
  218    HE2  LYS  25           HE2      LYS  25   6.328  18.268  11.780
  219    HE3  LYS  25           HE3      LYS  25   5.162  19.555  12.142
  220    HZ1  LYS  25           HZ1      LYS  25   6.084  18.603  14.171
  221    HZ2  LYS  25           HZ2      LYS  25   4.481  18.291  14.109
  222    HZ3  LYS  25           HZ3      LYS  25   5.567  17.106  13.781
  223    H    GLY  26           H        GLY  26   5.076  22.030   8.064
  224    HA2  GLY  26           HA2      GLY  26   2.932  23.978   8.309
  225    HA3  GLY  26           HA3      GLY  26   4.625  24.326   7.916
  226    H    THR  27           H        THR  27   2.320  25.600   6.836
  227    HA   THR  27           HA       THR  27   2.202  24.771   3.974
  228    HB   THR  27           HB       THR  27   0.316  26.341   3.815
  229    HG1  THR  27           HG1      THR  27  -0.412  27.201   5.868
  230   HG21  THR  27          HG21      THR  27  -1.305  25.163   5.174
  231   HG22  THR  27          HG22      THR  27  -0.135  23.998   4.532
  232   HG23  THR  27          HG23      THR  27  -0.031  24.514   6.232
  233    H    LYS  28           H        LYS  28   1.981  26.878   2.497
  234    HA   LYS  28           HA       LYS  28   4.447  28.420   2.814
  235    HB2  LYS  28           HB2      LYS  28   3.838  29.465   0.714
  236    HB3  LYS  28           HB3      LYS  28   3.706  27.712   0.621
  237    HG2  LYS  28           HG2      LYS  28   1.210  27.911   0.890
  238    HG3  LYS  28           HG3      LYS  28   1.386  29.677   0.870
  239    HD2  LYS  28           HD2      LYS  28   2.401  29.559  -1.384
  240    HD3  LYS  28           HD3      LYS  28   2.303  27.788  -1.343
  241    HE2  LYS  28           HE2      LYS  28  -0.182  27.945  -1.126
  242    HE3  LYS  28           HE3      LYS  28  -0.071  29.710  -1.263
  243    HZ1  LYS  28           HZ1      LYS  28   0.890  29.405  -3.482
  244    HZ2  LYS  28           HZ2      LYS  28   0.844  27.775  -3.335
  245    HZ3  LYS  28           HZ3      LYS  28  -0.558  28.639  -3.407
  246    H    ASP  29           H        ASP  29   1.223  28.913   3.924
  247    HA   ASP  29           HA       ASP  29   1.634  31.788   4.482
  248    HB2  ASP  29           HB2      ASP  29  -0.578  30.773   3.793
  249    HB3  ASP  29           HB3      ASP  29  -0.630  29.956   5.353
  250    H    PHE  30           H        PHE  30   1.882  28.671   6.140
  251    HA   PHE  30           HA       PHE  30   3.088  30.022   8.512
  252    HB2  PHE  30           HB2      PHE  30   1.160  27.669   8.500
  253    HB3  PHE  30           HB3      PHE  30   2.106  28.187   9.890
  254    HD1  PHE  30           HD1      PHE  30   1.806  30.578  10.782
  255    HD2  PHE  30           HD2      PHE  30  -0.967  28.675   8.082
  256    HE1  PHE  30           HE1      PHE  30   0.030  32.170  11.481
  257    HE2  PHE  30           HE2      PHE  30  -2.747  30.259   8.790
  258    HZ   PHE  30           HZ       PHE  30  -2.248  32.009  10.494
  259    HA   PRO  31           HA       PRO  31   6.026  26.860   6.755
  260    HB2  PRO  31           HB2      PRO  31   8.253  28.432   6.544
  261    HB3  PRO  31           HB3      PRO  31   6.988  28.381   5.280
  262    HG2  PRO  31           HG2      PRO  31   7.297  30.405   7.517
  263    HG3  PRO  31           HG3      PRO  31   7.034  30.721   5.769
  264    HD2  PRO  31           HD2      PRO  31   4.982  30.727   7.563
  265    HD3  PRO  31           HD3      PRO  31   4.764  30.097   5.903
  266    H    GLN  32           H        GLN  32   7.888  25.921   7.893
  267    HA   GLN  32           HA       GLN  32   7.558  26.242  10.790
  268    HB2  GLN  32           HB2      GLN  32   9.095  24.217   9.104
  269    HB3  GLN  32           HB3      GLN  32   9.025  24.212  10.871
  270    HG2  GLN  32           HG2      GLN  32   6.537  24.027  10.782
  271    HG3  GLN  32           HG3      GLN  32   6.611  24.020   9.011
  272   HE21  GLN  32          HE22      GLN  32   8.555  22.163  11.518
  273   HE22  GLN  32          HE21      GLN  32   8.133  20.626  10.786
  274    H    CYS  33           H        CYS  33   8.854  27.300  12.096
  275    HA   CYS  33           HA       CYS  33  10.980  28.947  11.264
  276    HB2  CYS  33           HB2      CYS  33   9.498  29.262  13.259
  277    HB3  CYS  33           HB3      CYS  33  10.336  27.915  14.065
  278    HG   CYS  33           HG       CYS  33  11.176  30.222  15.045
  279    H    GLY  34           H        GLY  34  13.184  28.876  11.472
  280    HA2  GLY  34           HA2      GLY  34  15.326  27.857  11.863
  281    HA3  GLY  34           HA3      GLY  34  14.547  26.270  12.012
  282    H    PHE  35           H        PHE  35  15.758  25.253  10.444
  283    HA   PHE  35           HA       PHE  35  16.774  26.357   8.132
  284    HB2  PHE  35           HB2      PHE  35  16.052  23.435   8.595
  285    HB3  PHE  35           HB3      PHE  35  17.209  24.044   7.413
  286    HD1  PHE  35           HD1      PHE  35  19.235  25.421   8.267
  287    HD2  PHE  35           HD2      PHE  35  16.795  22.937  10.820
  288    HE1  PHE  35           HE1      PHE  35  21.038  25.395   9.971
  289    HE2  PHE  35           HE2      PHE  35  18.598  22.931  12.521
  290    HZ   PHE  35           HZ       PHE  35  20.723  24.148  12.098
  291    H    SER  36           H        SER  36  13.544  24.734   8.326
  292    HA   SER  36           HA       SER  36  13.035  24.861   5.496
  293    HB2  SER  36           HB2      SER  36  11.094  24.895   7.824
  294    HB3  SER  36           HB3      SER  36  10.672  24.649   6.112
  295    HG   SER  36           HG       SER  36  10.978  22.661   7.210
  296    H    GLN  37           H        GLN  37  12.112  27.273   8.078
  297    HA   GLN  37           HA       GLN  37  11.080  29.215   6.279
  298    HB2  GLN  37           HB2      GLN  37  10.987  29.238   8.833
  299    HB3  GLN  37           HB3      GLN  37  12.665  29.806   8.815
  300    HG2  GLN  37           HG2      GLN  37  11.800  31.713   7.282
  301    HG3  GLN  37           HG3      GLN  37  10.181  31.185   7.712
  302   HE21  GLN  37          HE22      GLN  37  12.718  33.261   8.574
  303   HE22  GLN  37          HE21      GLN  37  12.212  33.580  10.238
  304    H    THR  38           H        THR  38  14.508  28.746   7.404
  305    HA   THR  38           HA       THR  38  15.669  30.794   5.874
  306    HB   THR  38           HB       THR  38  16.945  28.101   6.505
  307    HG1  THR  38           HG1      THR  38  17.602  29.285   8.401
  308   HG21  THR  38          HG21      THR  38  19.016  29.437   6.608
  309   HG22  THR  38          HG22      THR  38  18.275  29.548   5.010
  310   HG23  THR  38          HG23      THR  38  18.103  30.898   6.152
  311    H    VAL  39           H        VAL  39  15.130  27.382   4.889
  312    HA   VAL  39           HA       VAL  39  16.060  27.681   2.216
  313    HB   VAL  39           HB       VAL  39  14.160  25.735   3.525
  314   HG11  VAL  39          HG11      VAL  39  14.929  25.747   0.576
  315   HG12  VAL  39          HG12      VAL  39  14.263  24.346   1.447
  316   HG13  VAL  39          HG13      VAL  39  13.289  25.800   1.258
  317   HG21  VAL  39          HG21      VAL  39  16.553  25.529   4.033
  318   HG22  VAL  39          HG22      VAL  39  16.057  24.195   2.977
  319   HG23  VAL  39          HG23      VAL  39  16.951  25.572   2.312
  320    H    VAL  40           H        VAL  40  12.745  28.173   3.531
  321    HA   VAL  40           HA       VAL  40  11.514  28.855   1.048
  322    HB   VAL  40           HB       VAL  40  10.899  29.500   3.936
  323   HG11  VAL  40          HG11      VAL  40  10.069  31.485   2.898
  324   HG12  VAL  40          HG12      VAL  40   9.404  30.566   1.535
  325   HG13  VAL  40          HG13      VAL  40   8.684  30.420   3.157
  326   HG21  VAL  40          HG21      VAL  40  10.467  27.209   3.049
  327   HG22  VAL  40          HG22      VAL  40   8.982  28.037   3.535
  328   HG23  VAL  40          HG23      VAL  40   9.407  27.907   1.814
  329    H    GLN  41           H        GLN  41  13.199  30.983   3.443
  330    HA   GLN  41           HA       GLN  41  12.902  33.411   1.914
  331    HB2  GLN  41           HB2      GLN  41  14.881  32.525   4.065
  332    HB3  GLN  41           HB3      GLN  41  14.887  34.136   3.341
  333    HG2  GLN  41           HG2      GLN  41  12.602  34.556   4.125
  334    HG3  GLN  41           HG3      GLN  41  12.489  32.926   4.790
  335   HE21  GLN  41          HE22      GLN  41  14.662  35.861   5.053
  336   HE22  GLN  41          HE21      GLN  41  14.895  35.651   6.780
  337    H    ILE  42           H        ILE  42  15.522  30.952   1.960
  338    HA   ILE  42           HA       ILE  42  17.312  32.225   0.156
  339    HB   ILE  42           HB       ILE  42  16.790  29.382   1.031
  340   HG12  ILE  42          HG12      ILE  42  19.244  31.169   1.238
  341   HG13  ILE  42          HG13      ILE  42  17.992  31.073   2.462
  342   HG21  ILE  42          HG21      ILE  42  17.446  29.039  -1.304
  343   HG22  ILE  42          HG22      ILE  42  18.872  30.075  -1.068
  344   HG23  ILE  42          HG23      ILE  42  18.706  28.511  -0.226
  345   HD11  ILE  42          HD11      ILE  42  19.821  29.685   3.171
  346   HD12  ILE  42          HD12      ILE  42  18.479  28.612   2.718
  347   HD13  ILE  42          HD13      ILE  42  19.875  28.820   1.634
  348    H    LEU  43           H        LEU  43  14.726  29.861  -0.694
  349    HA   LEU  43           HA       LEU  43  15.266  29.952  -3.529
  350    HB2  LEU  43           HB2      LEU  43  12.769  29.254  -1.908
  351    HB3  LEU  43           HB3      LEU  43  12.899  28.985  -3.644
  352    HG   LEU  43           HG       LEU  43  14.844  27.720  -1.657
  353   HD11  LEU  43          HD11      LEU  43  13.435  25.684  -1.862
  354   HD12  LEU  43          HD12      LEU  43  12.584  27.014  -1.059
  355   HD13  LEU  43          HD13      LEU  43  12.223  26.621  -2.750
  356   HD21  LEU  43          HD21      LEU  43  14.112  27.020  -4.535
  357   HD22  LEU  43          HD22      LEU  43  15.632  27.774  -3.999
  358   HD23  LEU  43          HD23      LEU  43  15.240  26.124  -3.495
  359    H    LYS  44           H        LYS  44  12.789  31.603  -1.554
  360    HA   LYS  44           HA       LYS  44  11.573  33.185  -3.510
  361    HB2  LYS  44           HB2      LYS  44  10.874  32.852  -1.160
  362    HB3  LYS  44           HB3      LYS  44  12.172  33.931  -0.618
  363    HG2  LYS  44           HG2      LYS  44  11.146  35.801  -1.852
  364    HG3  LYS  44           HG3      LYS  44   9.928  34.705  -2.542
  365    HD2  LYS  44           HD2      LYS  44   9.091  34.195  -0.256
  366    HD3  LYS  44           HD3      LYS  44  10.293  35.313   0.429
  367    HE2  LYS  44           HE2      LYS  44   9.290  37.178  -0.898
  368    HE3  LYS  44           HE3      LYS  44   8.084  36.061  -1.552
  369    HZ1  LYS  44           HZ1      LYS  44   7.213  37.324   0.322
  370    HZ2  LYS  44           HZ2      LYS  44   7.257  35.733   0.714
  371    HZ3  LYS  44           HZ3      LYS  44   8.380  36.763   1.321
  372    H    SER  45           H        SER  45  14.365  34.111  -1.469
  373    HA   SER  45           HA       SER  45  14.883  36.633  -2.708
  374    HB2  SER  45           HB2      SER  45  16.811  34.937  -1.082
  375    HB3  SER  45           HB3      SER  45  16.890  36.679  -1.365
  376    HG   SER  45           HG       SER  45  15.125  35.182   0.230
  377    H    LEU  46           H        LEU  46  16.290  33.390  -3.390
  378    HA   LEU  46           HA       LEU  46  18.326  34.217  -5.193
  379    HB2  LEU  46           HB2      LEU  46  18.148  31.974  -4.241
  380    HB3  LEU  46           HB3      LEU  46  16.592  31.719  -5.027
  381    HG   LEU  46           HG       LEU  46  17.661  31.684  -7.229
  382   HD11  LEU  46          HD11      LEU  46  20.272  32.088  -5.693
  383   HD12  LEU  46          HD12      LEU  46  20.161  31.604  -7.403
  384   HD13  LEU  46          HD13      LEU  46  19.581  33.189  -6.895
  385   HD21  LEU  46          HD21      LEU  46  19.068  29.862  -5.222
  386   HD22  LEU  46          HD22      LEU  46  17.426  29.617  -5.852
  387   HD23  LEU  46          HD23      LEU  46  18.813  29.549  -6.956
  388    H    ASN  47           H        ASN  47  14.892  33.886  -5.533
  389    HA   ASN  47           HA       ASN  47  13.654  35.496  -6.691
  390    HB2  ASN  47           HB2      ASN  47  15.590  36.554  -7.838
  391    HB3  ASN  47           HB3      ASN  47  15.494  35.307  -9.094
  392   HD21  ASN  47          HD22      ASN  47  13.419  37.774  -7.412
  393   HD22  ASN  47          HD21      ASN  47  12.486  38.150  -8.845
  394    H    ALA  48           H        ALA  48  12.678  33.405  -6.060
  395    HA   ALA  48           HA       ALA  48  11.560  32.078  -8.475
  396    HB1  ALA  48           HB1      ALA  48  13.660  30.843  -8.000
  397    HB2  ALA  48           HB2      ALA  48  13.121  30.549  -6.336
  398    HB3  ALA  48           HB3      ALA  48  12.252  29.814  -7.687
  399    HA   PRO  49           HA       PRO  49   8.015  31.431  -5.757
  400    HB2  PRO  49           HB2      PRO  49   6.634  29.513  -7.091
  401    HB3  PRO  49           HB3      PRO  49   6.828  31.163  -7.763
  402    HG2  PRO  49           HG2      PRO  49   8.498  28.692  -8.381
  403    HG3  PRO  49           HG3      PRO  49   7.695  29.799  -9.546
  404    HD2  PRO  49           HD2      PRO  49  10.318  30.073  -8.859
  405    HD3  PRO  49           HD3      PRO  49   9.284  31.495  -9.170
  406    H    PHE  50           H        PHE  50   6.944  29.527  -4.612
  407    HA   PHE  50           HA       PHE  50   8.303  27.001  -4.407
  408    HB2  PHE  50           HB2      PHE  50   9.044  27.097  -2.130
  409    HB3  PHE  50           HB3      PHE  50   9.777  28.460  -2.957
  410    HD1  PHE  50           HD1      PHE  50   8.903  30.790  -2.590
  411    HD2  PHE  50           HD2      PHE  50   7.507  27.410  -0.297
  412    HE1  PHE  50           HE1      PHE  50   7.864  32.327  -0.971
  413    HE2  PHE  50           HE2      PHE  50   6.474  28.944   1.338
  414    HZ   PHE  50           HZ       PHE  50   6.608  31.418   0.999
  415    H    GLU  51           H        GLU  51   6.948  25.438  -3.496
  416    HA   GLU  51           HA       GLU  51   4.285  26.344  -2.421
  417    HB2  GLU  51           HB2      GLU  51   4.956  24.000  -4.241
  418    HB3  GLU  51           HB3      GLU  51   3.407  24.224  -3.434
  419    HG2  GLU  51           HG2      GLU  51   4.642  26.115  -5.479
  420    HG3  GLU  51           HG3      GLU  51   3.351  24.956  -5.773
  421    H    SER  52           H        SER  52   4.888  26.194  -0.225
  422    HA   SER  52           HA       SER  52   5.947  23.688   0.856
  423    HB2  SER  52           HB2      SER  52   4.752  26.106   2.194
  424    HB3  SER  52           HB3      SER  52   5.420  24.705   3.054
  425    HG   SER  52           HG       SER  52   6.946  26.462   2.726
  426    H    VAL  53           H        VAL  53   4.719  22.010   0.324
  427    HA   VAL  53           HA       VAL  53   1.798  21.921   0.730
  428    HB   VAL  53           HB       VAL  53   3.808  19.828  -0.199
  429   HG11  VAL  53          HG11      VAL  53   1.872  18.698   0.795
  430   HG12  VAL  53          HG12      VAL  53   0.760  19.708  -0.152
  431   HG13  VAL  53          HG13      VAL  53   1.827  18.536  -0.962
  432   HG21  VAL  53          HG21      VAL  53   2.820  20.191  -2.432
  433   HG22  VAL  53          HG22      VAL  53   1.759  21.460  -1.774
  434   HG23  VAL  53          HG23      VAL  53   3.519  21.685  -1.814
  435    H    ASN  54           H        ASN  54   0.816  21.193   2.501
  436    HA   ASN  54           HA       ASN  54   2.250  20.163   4.811
  437    HB2  ASN  54           HB2      ASN  54   0.334  21.615   5.079
  438    HB3  ASN  54           HB3      ASN  54  -0.711  20.466   4.233
  439   HD21  ASN  54          HD22      ASN  54  -1.679  21.147   6.599
  440   HD22  ASN  54          HD21      ASN  54  -1.360  19.926   7.818
  441    H    ILE  55           H        ILE  55   3.111  18.147   4.655
  442    HA   ILE  55           HA       ILE  55   1.963  15.981   3.086
  443    HB   ILE  55           HB       ILE  55   3.660  14.544   4.075
  444   HG12  ILE  55          HG12      ILE  55   4.169  16.796   6.036
  445   HG13  ILE  55          HG13      ILE  55   3.702  15.134   6.343
  446   HG21  ILE  55          HG21      ILE  55   5.592  15.681   3.151
  447   HG22  ILE  55          HG22      ILE  55   4.171  16.058   2.182
  448   HG23  ILE  55          HG23      ILE  55   4.802  17.265   3.323
  449   HD11  ILE  55          HD11      ILE  55   6.012  15.395   6.914
  450   HD12  ILE  55          HD12      ILE  55   5.895  14.358   5.476
  451   HD13  ILE  55          HD13      ILE  55   6.401  16.062   5.323
  452    H    LEU  56           H        LEU  56   1.433  16.944   6.390
  453    HA   LEU  56           HA       LEU  56   0.588  14.303   7.272
  454    HB2  LEU  56           HB2      LEU  56   1.337  16.901   8.440
  455    HB3  LEU  56           HB3      LEU  56  -0.172  16.367   9.136
  456    HG   LEU  56           HG       LEU  56   1.784  15.690  10.453
  457   HD11  LEU  56          HD11      LEU  56   0.362  13.261   9.290
  458   HD12  LEU  56          HD12      LEU  56   1.162  13.374  10.865
  459   HD13  LEU  56          HD13      LEU  56  -0.292  14.338  10.544
  460   HD21  LEU  56          HD21      LEU  56   3.339  13.952   9.706
  461   HD22  LEU  56          HD22      LEU  56   2.569  13.881   8.111
  462   HD23  LEU  56          HD23      LEU  56   3.423  15.342   8.619
  463    H    GLU  57           H        GLU  57  -1.039  16.946   5.792
  464    HA   GLU  57           HA       GLU  57  -3.645  16.730   6.801
  465    HB2  GLU  57           HB2      GLU  57  -2.761  18.538   5.361
  466    HB3  GLU  57           HB3      GLU  57  -2.722  17.434   3.987
  467    HG2  GLU  57           HG2      GLU  57  -5.223  17.189   4.167
  468    HG3  GLU  57           HG3      GLU  57  -5.204  18.352   5.504
  469    H    ASN  58           H        ASN  58  -2.169  14.810   4.135
  470    HA   ASN  58           HA       ASN  58  -4.752  13.316   3.822
  471    HB2  ASN  58           HB2      ASN  58  -2.678  14.013   1.705
  472    HB3  ASN  58           HB3      ASN  58  -4.157  13.086   1.445
  473   HD21  ASN  58          HD22      ASN  58  -2.817  16.285   1.598
  474   HD22  ASN  58          HD21      ASN  58  -4.329  17.172   1.650
  475    H    GLU  59           H        GLU  59  -4.727  11.164   4.068
  476    HA   GLU  59           HA       GLU  59  -2.580   9.940   5.370
  477    HB2  GLU  59           HB2      GLU  59  -4.985   9.397   5.574
  478    HB3  GLU  59           HB3      GLU  59  -4.943   8.598   3.994
  479    HG2  GLU  59           HG2      GLU  59  -3.432   6.888   4.839
  480    HG3  GLU  59           HG3      GLU  59  -3.187   7.781   6.348
  481    H    LEU  60           H        LEU  60  -3.265   9.790   1.857
  482    HA   LEU  60           HA       LEU  60  -1.288   7.746   1.340
  483    HB2  LEU  60           HB2      LEU  60  -2.416   9.851  -0.564
  484    HB3  LEU  60           HB3      LEU  60  -1.529   8.393  -1.009
  485    HG   LEU  60           HG       LEU  60  -4.313   8.534   0.203
  486   HD11  LEU  60          HD11      LEU  60  -3.283   7.566  -2.500
  487   HD12  LEU  60          HD12      LEU  60  -4.976   7.553  -1.958
  488   HD13  LEU  60          HD13      LEU  60  -4.134   9.098  -2.190
  489   HD21  LEU  60          HD21      LEU  60  -4.374   6.054  -0.103
  490   HD22  LEU  60          HD22      LEU  60  -2.630   6.070  -0.439
  491   HD23  LEU  60          HD23      LEU  60  -3.243   6.560   1.157
  492    H    LEU  61           H        LEU  61  -1.230  11.306   0.971
  493    HA   LEU  61           HA       LEU  61   1.477  11.594   0.194
  494    HB2  LEU  61           HB2      LEU  61  -0.411  13.263   0.029
  495    HB3  LEU  61           HB3      LEU  61  -0.335  13.467   1.780
  496    HG   LEU  61           HG       LEU  61   1.984  14.363   1.559
  497   HD11  LEU  61          HD11      LEU  61   1.422  14.252  -1.439
  498   HD12  LEU  61          HD12      LEU  61   2.766  15.123  -0.672
  499   HD13  LEU  61          HD13      LEU  61   2.697  13.360  -0.575
  500   HD21  LEU  61          HD21      LEU  61   1.267  16.531   0.680
  501   HD22  LEU  61          HD22      LEU  61  -0.132  15.787  -0.117
  502   HD23  LEU  61          HD23      LEU  61  -0.027  15.818   1.655
  503    H    ARG  62           H        ARG  62   0.060  11.404   3.417
  504    HA   ARG  62           HA       ARG  62   2.286  11.925   5.048
  505    HB2  ARG  62           HB2      ARG  62  -0.170  11.648   5.600
  506    HB3  ARG  62           HB3      ARG  62   0.053   9.901   5.510
  507    HG2  ARG  62           HG2      ARG  62   1.720  10.110   7.402
  508    HG3  ARG  62           HG3      ARG  62   1.328  11.833   7.493
  509    HD2  ARG  62           HD2      ARG  62  -0.591   9.492   7.866
  510    HD3  ARG  62           HD3      ARG  62   0.067  10.489   9.164
  511    HE   ARG  62           HE       ARG  62  -1.132  12.421   7.777
  512   HH11  ARG  62          HH11      ARG  62  -2.503   9.263   8.643
  513   HH12  ARG  62          HH12      ARG  62  -4.126   9.867   8.578
  514   HH21  ARG  62          HH21      ARG  62  -3.185  13.136   7.790
  515   HH22  ARG  62          HH22      ARG  62  -4.521  12.055   8.108
  516    H    GLN  63           H        GLN  63   1.779   9.122   3.002
  517    HA   GLN  63           HA       GLN  63   3.889   7.538   4.455
  518    HB2  GLN  63           HB2      GLN  63   1.342   6.652   3.024
  519    HB3  GLN  63           HB3      GLN  63   2.591   5.559   3.619
  520    HG2  GLN  63           HG2      GLN  63   2.205   6.298   5.935
  521    HG3  GLN  63           HG3      GLN  63   0.990   7.463   5.393
  522   HE21  GLN  63          HE22      GLN  63  -1.015   6.623   4.376
  523   HE22  GLN  63          HE21      GLN  63  -1.541   4.989   4.794
  524    H    GLY  64           H        GLY  64   2.336   7.790   1.173
  525    HA2  GLY  64           HA2      GLY  64   4.374   6.166  -0.028
  526    HA3  GLY  64           HA3      GLY  64   3.084   7.057  -0.863
  527    H    LEU  65           H        LEU  65   4.297   9.614   0.452
  528    HA   LEU  65           HA       LEU  65   5.787  10.506  -1.787
  529    HB2  LEU  65           HB2      LEU  65   4.536  11.941  -0.237
  530    HB3  LEU  65           HB3      LEU  65   5.622  11.521   1.082
  531    HG   LEU  65           HG       LEU  65   7.484  12.683  -0.043
  532   HD11  LEU  65          HD11      LEU  65   6.997  14.160  -2.022
  533   HD12  LEU  65          HD12      LEU  65   6.903  12.438  -2.419
  534   HD13  LEU  65          HD13      LEU  65   5.418  13.381  -2.174
  535   HD21  LEU  65          HD21      LEU  65   4.990  14.427   0.109
  536   HD22  LEU  65          HD22      LEU  65   5.917  13.871   1.512
  537   HD23  LEU  65          HD23      LEU  65   6.678  14.934   0.314
  538    H    LYS  66           H        LYS  66   6.918   9.047   1.246
  539    HA   LYS  66           HA       LYS  66   9.719   9.512   1.007
  540    HB2  LYS  66           HB2      LYS  66   8.139   7.183   2.189
  541    HB3  LYS  66           HB3      LYS  66   9.876   7.427   2.420
  542    HG2  LYS  66           HG2      LYS  66   9.525   9.497   3.628
  543    HG3  LYS  66           HG3      LYS  66   7.804   9.504   3.235
  544    HD2  LYS  66           HD2      LYS  66   8.137   8.800   5.538
  545    HD3  LYS  66           HD3      LYS  66   7.407   7.511   4.575
  546    HE2  LYS  66           HE2      LYS  66   9.622   6.390   4.381
  547    HE3  LYS  66           HE3      LYS  66  10.371   7.700   5.306
  548    HZ1  LYS  66           HZ1      LYS  66   9.865   5.792   6.712
  549    HZ2  LYS  66           HZ2      LYS  66   8.964   7.065   7.203
  550    HZ3  LYS  66           HZ3      LYS  66   8.278   5.858   6.338
  551    H    GLU  67           H        GLU  67   7.682   7.024  -0.500
  552    HA   GLU  67           HA       GLU  67   9.967   5.633  -1.748
  553    HB2  GLU  67           HB2      GLU  67   6.955   5.253  -2.049
  554    HB3  GLU  67           HB3      GLU  67   8.199   4.248  -2.800
  555    HG2  GLU  67           HG2      GLU  67   9.083   3.684  -0.526
  556    HG3  GLU  67           HG3      GLU  67   7.749   4.587   0.197
  557    H    TYR  68           H        TYR  68   7.478   8.028  -2.685
  558    HA   TYR  68           HA       TYR  68   7.925   7.998  -5.495
  559    HB2  TYR  68           HB2      TYR  68   6.021   9.086  -4.298
  560    HB3  TYR  68           HB3      TYR  68   7.120  10.320  -3.696
  561    HD1  TYR  68           HD2      TYR  68   5.488   8.936  -6.709
  562    HD2  TYR  68           HD1      TYR  68   7.869  12.154  -5.119
  563    HE1  TYR  68           HE2      TYR  68   5.065  10.261  -8.774
  564    HE2  TYR  68           HE1      TYR  68   7.435  13.493  -7.171
  565    HH   TYR  68           HH       TYR  68   5.421  12.235  -9.858
  566    H    SER  69           H        SER  69   9.592   9.885  -2.907
  567    HA   SER  69           HA       SER  69  11.541  11.000  -4.836
  568    HB2  SER  69           HB2      SER  69  12.568  11.956  -2.797
  569    HB3  SER  69           HB3      SER  69  10.859  12.381  -2.975
  570    HG   SER  69           HG       SER  69  11.153  11.808  -0.878
  571    H    SER  70           H        SER  70  11.915   9.099  -1.914
  572    HA   SER  70           HA       SER  70  13.108   6.928  -1.768
  573    HB2  SER  70           HB2      SER  70  15.342   8.412  -3.199
  574    HB3  SER  70           HB3      SER  70  15.463   6.819  -2.436
  575    HG   SER  70           HG       SER  70  13.845   7.597  -4.599
  576    H    TRP  71           H        TRP  71  13.355  10.226  -0.999
  577    HA   TRP  71           HA       TRP  71  15.576  10.221   0.802
  578    HB2  TRP  71           HB2      TRP  71  14.801  12.222  -0.296
  579    HB3  TRP  71           HB3      TRP  71  13.203  12.045   0.400
  580    HD1  TRP  71           HD1      TRP  71  12.709  13.407   2.420
  581    HE1  TRP  71           HE1      TRP  71  14.007  14.780   4.142
  582    HE3  TRP  71           HE3      TRP  71  17.472  12.136   1.022
  583    HZ2  TRP  71           HZ2      TRP  71  16.760  15.064   4.993
  584    HZ3  TRP  71           HZ3      TRP  71  19.413  12.962   2.322
  585    HH2  TRP  71           HH2      TRP  71  19.075  14.406   4.319
  586    HA   PRO  72           HA       PRO  72  13.250   8.516   4.331
  587    HB2  PRO  72           HB2      PRO  72  15.251   8.335   6.155
  588    HB3  PRO  72           HB3      PRO  72  15.147   7.240   4.737
  589    HG2  PRO  72           HG2      PRO  72  16.850   9.732   5.051
  590    HG3  PRO  72           HG3      PRO  72  17.334   8.127   4.424
  591    HD2  PRO  72           HD2      PRO  72  16.614  10.236   2.805
  592    HD3  PRO  72           HD3      PRO  72  16.339   8.525   2.348
  593    H    THR  73           H        THR  73  12.166   9.486   5.948
  594    HA   THR  73           HA       THR  73  11.285  10.984   7.378
  595    HB   THR  73           HB       THR  73  12.640  12.251   8.871
  596    HG1  THR  73           HG1      THR  73  14.461  11.981   6.803
  597   HG21  THR  73          HG21      THR  73  12.722   9.779   9.157
  598   HG22  THR  73          HG22      THR  73  14.214   9.738   8.197
  599   HG23  THR  73          HG23      THR  73  14.170  10.609   9.739
  600    H    PHE  74           H        PHE  74  11.479  13.560   7.996
  601    HA   PHE  74           HA       PHE  74  11.422  15.171   5.526
  602    HB2  PHE  74           HB2      PHE  74   9.107  14.819   7.463
  603    HB3  PHE  74           HB3      PHE  74   9.194  16.145   6.324
  604    HD1  PHE  74           HD1      PHE  74   9.365  15.668   3.828
  605    HD2  PHE  74           HD2      PHE  74   8.308  12.655   6.730
  606    HE1  PHE  74           HE1      PHE  74   8.469  14.235   2.014
  607    HE2  PHE  74           HE2      PHE  74   7.364  11.249   4.918
  608    HZ   PHE  74           HZ       PHE  74   7.469  12.018   2.556
  609    HA   PRO  75           HA       PRO  75  10.310  17.885   5.631
  610    HB2  PRO  75           HB2      PRO  75  12.725  19.666   5.463
  611    HB3  PRO  75           HB3      PRO  75  10.997  20.101   5.311
  612    HG2  PRO  75           HG2      PRO  75  12.324  20.604   7.615
  613    HG3  PRO  75           HG3      PRO  75  10.670  19.897   7.685
  614    HD2  PRO  75           HD2      PRO  75  13.351  18.483   7.888
  615    HD3  PRO  75           HD3      PRO  75  11.904  18.315   8.930
  616    H    GLN  76           H        GLN  76  10.638  18.250   3.336
  617    HA   GLN  76           HA       GLN  76  13.103  17.164   2.079
  618    HB2  GLN  76           HB2      GLN  76  11.461  15.297   2.276
  619    HB3  GLN  76           HB3      GLN  76  10.251  16.281   1.467
  620    HG2  GLN  76           HG2      GLN  76  11.830  16.350  -0.566
  621    HG3  GLN  76           HG3      GLN  76  12.806  15.138   0.265
  622   HE21  GLN  76          HE22      GLN  76   9.639  15.788  -1.302
  623   HE22  GLN  76          HE21      GLN  76   9.203  14.093  -1.414
  624    H    LEU  77           H        LEU  77  13.724  18.462   0.419
  625    HA   LEU  77           HA       LEU  77  11.787  20.384  -0.804
  626    HB2  LEU  77           HB2      LEU  77  14.044  21.036   0.356
  627    HB3  LEU  77           HB3      LEU  77  14.807  20.380  -1.068
  628    HG   LEU  77           HG       LEU  77  12.972  22.792  -0.825
  629   HD11  LEU  77          HD11      LEU  77  15.311  23.035  -0.159
  630   HD12  LEU  77          HD12      LEU  77  15.849  22.475  -1.759
  631   HD13  LEU  77          HD13      LEU  77  14.967  24.004  -1.601
  632   HD21  LEU  77          HD21      LEU  77  13.492  23.228  -3.275
  633   HD22  LEU  77          HD22      LEU  77  13.988  21.519  -3.385
  634   HD23  LEU  77          HD23      LEU  77  12.308  21.978  -2.963
  635    H    TYR  78           H        TYR  78  11.318  20.202  -2.948
  636    HA   TYR  78           HA       TYR  78  12.667  18.156  -4.642
  637    HB2  TYR  78           HB2      TYR  78  10.434  17.509  -3.429
  638    HB3  TYR  78           HB3      TYR  78   9.671  18.599  -4.567
  639    HD1  TYR  78           HD2      TYR  78  10.105  18.123  -7.124
  640    HD2  TYR  78           HD1      TYR  78  10.794  15.270  -3.960
  641    HE1  TYR  78           HE2      TYR  78   9.917  16.254  -8.747
  642    HE2  TYR  78           HE1      TYR  78  10.619  13.407  -5.592
  643    HH   TYR  78           HH       TYR  78  10.255  12.831  -7.799
  644    H    ILE  79           H        ILE  79  12.951  18.755  -6.784
  645    HA   ILE  79           HA       ILE  79  11.688  21.233  -7.748
  646    HB   ILE  79           HB       ILE  79  14.582  21.168  -8.379
  647   HG12  ILE  79          HG12      ILE  79  13.710  22.020  -5.600
  648   HG13  ILE  79          HG13      ILE  79  14.770  20.646  -5.971
  649   HG21  ILE  79          HG21      ILE  79  12.758  23.402  -7.400
  650   HG22  ILE  79          HG22      ILE  79  14.244  23.568  -8.350
  651   HG23  ILE  79          HG23      ILE  79  12.793  22.866  -9.085
  652   HD11  ILE  79          HD11      ILE  79  15.419  23.592  -6.388
  653   HD12  ILE  79          HD12      ILE  79  16.133  22.471  -5.226
  654   HD13  ILE  79          HD13      ILE  79  16.431  22.239  -6.960
  655    H    ASP  80           H        ASP  80  10.954  20.999  -9.706
  656    HA   ASP  80           HA       ASP  80  10.475  20.121 -11.756
  657    HB2  ASP  80           HB2      ASP  80  12.126  21.913 -12.015
  658    HB3  ASP  80           HB3      ASP  80  13.420  20.716 -12.097
  659    H    GLY  81           H        GLY  81  10.456  17.929 -10.321
  660    HA2  GLY  81           HA2      GLY  81  10.163  15.676 -10.939
  661    HA3  GLY  81           HA3      GLY  81  11.293  15.885 -12.288
  662    H    GLU  82           H        GLU  82  12.875  17.058  -9.541
  663    HA   GLU  82           HA       GLU  82  13.912  14.365  -8.722
  664    HB2  GLU  82           HB2      GLU  82  15.491  16.907  -9.286
  665    HB3  GLU  82           HB3      GLU  82  16.165  15.477  -8.517
  666    HG2  GLU  82           HG2      GLU  82  15.044  15.615 -11.350
  667    HG3  GLU  82           HG3      GLU  82  16.746  15.636 -10.903
  668    H    PHE  83           H        PHE  83  14.418  14.105  -6.550
  669    HA   PHE  83           HA       PHE  83  13.577  16.258  -4.711
  670    HB2  PHE  83           HB2      PHE  83  13.591  14.752  -2.983
  671    HB3  PHE  83           HB3      PHE  83  12.934  13.852  -4.333
  672    HD1  PHE  83           HD2      PHE  83  14.286  12.013  -5.400
  673    HD2  PHE  83           HD1      PHE  83  15.696  14.176  -1.942
  674    HE1  PHE  83           HE2      PHE  83  15.948  10.227  -4.948
  675    HE2  PHE  83           HE1      PHE  83  17.348  12.390  -1.492
  676    HZ   PHE  83           HZ       PHE  83  17.476  10.402  -2.989
  677    H    PHE  84           H        PHE  84  14.924  17.383  -3.357
  678    HA   PHE  84           HA       PHE  84  17.786  17.479  -4.130
  679    HB2  PHE  84           HB2      PHE  84  16.108  19.471  -4.002
  680    HB3  PHE  84           HB3      PHE  84  16.321  19.353  -2.261
  681    HD1  PHE  84           HD2      PHE  84  18.619  19.780  -1.254
  682    HD2  PHE  84           HD1      PHE  84  17.787  20.369  -5.445
  683    HE1  PHE  84           HE2      PHE  84  20.712  21.100  -1.493
  684    HE2  PHE  84           HE1      PHE  84  19.863  21.713  -5.661
  685    HZ   PHE  84           HZ       PHE  84  21.318  22.086  -3.694
  686    H    GLY  85           H        GLY  85  15.717  16.810  -1.343
  687    HA2  GLY  85           HA2      GLY  85  16.582  15.203   0.380
  688    HA3  GLY  85           HA3      GLY  85  18.079  16.154   0.396
  689    H    GLY  86           H        GLY  86  17.797  16.552   2.629
  690    HA2  GLY  86           HA2      GLY  86  15.443  17.991   3.646
  691    HA3  GLY  86           HA3      GLY  86  16.882  17.505   4.562
  692    H    CYS  87           H        CYS  87  15.619  19.967   4.875
  693    HA   CYS  87           HA       CYS  87  16.548  22.101   3.338
  694    HB2  CYS  87           HB2      CYS  87  15.806  21.972   6.306
  695    HB3  CYS  87           HB3      CYS  87  15.971  23.482   5.385
  696    HG   CYS  87           HG       CYS  87  13.365  22.616   5.773
  697    H    ASP  88           H        ASP  88  18.272  20.565   6.043
  698    HA   ASP  88           HA       ASP  88  20.416  22.380   6.372
  699    HB2  ASP  88           HB2      ASP  88  20.337  19.333   6.526
  700    HB3  ASP  88           HB3      ASP  88  21.701  20.309   7.054
  701    H    ILE  89           H        ILE  89  20.046  19.715   4.016
  702    HA   ILE  89           HA       ILE  89  22.639  20.014   2.761
  703    HB   ILE  89           HB       ILE  89  20.057  18.821   1.639
  704   HG12  ILE  89          HG12      ILE  89  22.409  17.494   3.066
  705   HG13  ILE  89          HG13      ILE  89  20.792  17.705   3.736
  706   HG21  ILE  89          HG21      ILE  89  21.719  19.399  -0.130
  707   HG22  ILE  89          HG22      ILE  89  22.934  18.421   0.711
  708   HG23  ILE  89          HG23      ILE  89  21.471  17.673   0.017
  709   HD11  ILE  89          HD11      ILE  89  20.987  15.439   3.026
  710   HD12  ILE  89          HD12      ILE  89  19.867  16.255   1.917
  711   HD13  ILE  89          HD13      ILE  89  21.540  15.899   1.417
  712    H    THR  90           H        THR  90  19.416  21.397   2.064
  713    HA   THR  90           HA       THR  90  20.157  22.927  -0.246
  714    HB   THR  90           HB       THR  90  18.047  23.574   1.839
  715    HG1  THR  90           HG1      THR  90  17.881  21.994  -0.497
  716   HG21  THR  90          HG21      THR  90  16.877  24.669  -0.021
  717   HG22  THR  90          HG22      THR  90  18.444  25.417   0.205
  718   HG23  THR  90          HG23      THR  90  18.199  24.258  -1.128
  719    H    VAL  91           H        VAL  91  20.083  23.890   3.216
  720    HA   VAL  91           HA       VAL  91  20.975  26.556   2.752
  721    HB   VAL  91           HB       VAL  91  21.200  24.758   5.186
  722   HG11  VAL  91          HG11      VAL  91  21.698  26.827   6.509
  723   HG12  VAL  91          HG12      VAL  91  23.026  26.382   5.433
  724   HG13  VAL  91          HG13      VAL  91  21.943  27.720   4.994
  725   HG21  VAL  91          HG21      VAL  91  18.922  25.538   4.467
  726   HG22  VAL  91          HG22      VAL  91  19.390  26.203   6.033
  727   HG23  VAL  91          HG23      VAL  91  19.480  27.213   4.579
  728    H    GLU  92           H        GLU  92  22.957  23.573   3.298
  729    HA   GLU  92           HA       GLU  92  25.470  25.022   3.093
  730    HB2  GLU  92           HB2      GLU  92  24.819  22.063   2.867
  731    HB3  GLU  92           HB3      GLU  92  26.450  22.727   2.896
  732    HG2  GLU  92           HG2      GLU  92  24.396  22.945   5.144
  733    HG3  GLU  92           HG3      GLU  92  25.790  21.872   5.101
  734    H    ALA  93           H        ALA  93  23.444  23.291   0.688
  735    HA   ALA  93           HA       ALA  93  25.281  23.512  -1.496
  736    HB1  ALA  93           HB1      ALA  93  22.233  23.365  -1.432
  737    HB2  ALA  93           HB2      ALA  93  23.249  23.083  -2.855
  738    HB3  ALA  93           HB3      ALA  93  23.350  21.984  -1.471
  739    H    TYR  94           H        TYR  94  22.819  25.800  -0.235
  740    HA   TYR  94           HA       TYR  94  23.150  27.754  -2.320
  741    HB2  TYR  94           HB2      TYR  94  21.219  27.614  -0.767
  742    HB3  TYR  94           HB3      TYR  94  22.258  28.072   0.571
  743    HD1  TYR  94           HD2      TYR  94  21.336  29.291  -2.888
  744    HD2  TYR  94           HD1      TYR  94  22.266  30.347   1.188
  745    HE1  TYR  94           HE2      TYR  94  20.858  31.665  -3.406
  746    HE2  TYR  94           HE1      TYR  94  21.796  32.737   0.670
  747    HH   TYR  94           HH       TYR  94  20.753  33.810  -2.587
  748    H    LYS  95           H        LYS  95  24.806  27.353   0.845
  749    HA   LYS  95           HA       LYS  95  26.590  29.621   0.582
  750    HB2  LYS  95           HB2      LYS  95  26.879  26.948   2.020
  751    HB3  LYS  95           HB3      LYS  95  28.018  28.283   2.179
  752    HG2  LYS  95           HG2      LYS  95  26.351  29.714   3.203
  753    HG3  LYS  95           HG3      LYS  95  25.068  28.533   2.903
  754    HD2  LYS  95           HD2      LYS  95  26.356  26.866   4.292
  755    HD3  LYS  95           HD3      LYS  95  27.495  28.159   4.713
  756    HE2  LYS  95           HE2      LYS  95  25.671  29.442   5.775
  757    HE3  LYS  95           HE3      LYS  95  24.489  28.236   5.234
  758    HZ1  LYS  95           HZ1      LYS  95  25.107  27.801   7.522
  759    HZ2  LYS  95           HZ2      LYS  95  25.694  26.574   6.589
  760    HZ3  LYS  95           HZ3      LYS  95  26.698  27.739   7.153
  761    H    SER  96           H        SER  96  26.751  26.278  -0.628
  762    HA   SER  96           HA       SER  96  29.470  26.560  -1.688
  763    HB2  SER  96           HB2      SER  96  27.393  24.388  -2.149
  764    HB3  SER  96           HB3      SER  96  29.139  24.282  -2.455
  765    HG   SER  96           HG       SER  96  27.759  24.439   0.031
  766    H    GLY  97           H        GLY  97  26.385  27.457  -2.934
  767    HA2  GLY  97           HA2      GLY  97  25.941  28.612  -4.920
  768    HA3  GLY  97           HA3      GLY  97  27.484  28.062  -5.613
  769    H    GLU  98           H        GLU  98  26.186  25.334  -4.392
  770    HA   GLU  98           HA       GLU  98  25.662  24.222  -6.995
  771    HB2  GLU  98           HB2      GLU  98  25.121  23.020  -4.247
  772    HB3  GLU  98           HB3      GLU  98  25.199  22.152  -5.786
  773    HG2  GLU  98           HG2      GLU  98  27.598  22.954  -6.014
  774    HG3  GLU  98           HG3      GLU  98  27.481  23.590  -4.368
  775    H    LEU  99           H        LEU  99  23.512  25.241  -4.292
  776    HA   LEU  99           HA       LEU  99  21.077  24.300  -5.474
  777    HB2  LEU  99           HB2      LEU  99  21.300  25.056  -3.100
  778    HB3  LEU  99           HB3      LEU  99  21.550  26.711  -3.664
  779    HG   LEU  99           HG       LEU  99  19.241  26.673  -4.695
  780   HD11  LEU  99          HD11      LEU  99  18.894  24.261  -5.005
  781   HD12  LEU  99          HD12      LEU  99  19.029  23.988  -3.258
  782   HD13  LEU  99          HD13      LEU  99  17.656  24.903  -3.921
  783   HD21  LEU  99          HD21      LEU  99  18.049  26.796  -2.489
  784   HD22  LEU  99          HD22      LEU  99  19.529  26.167  -1.722
  785   HD23  LEU  99          HD23      LEU  99  19.557  27.724  -2.577
  786    H    GLN 100           H        GLN 100  22.880  27.359  -5.941
  787    HA   GLN 100           HA       GLN 100  20.858  28.680  -7.507
  788    HB2  GLN 100           HB2      GLN 100  23.878  29.036  -7.758
  789    HB3  GLN 100           HB3      GLN 100  22.618  30.153  -8.279
  790    HG2  GLN 100           HG2      GLN 100  21.897  30.332  -5.826
  791    HG3  GLN 100           HG3      GLN 100  23.364  29.448  -5.408
  792   HE21  GLN 100          HE22      GLN 100  25.450  30.496  -6.733
  793   HE22  GLN 100          HE21      GLN 100  25.520  32.236  -6.507
  794    H    GLU 101           H        GLU 101  23.694  26.683  -8.518
  795    HA   GLU 101           HA       GLU 101  23.103  26.660 -11.283
  796    HB2  GLU 101           HB2      GLU 101  25.245  25.977 -10.244
  797    HB3  GLU 101           HB3      GLU 101  24.485  24.507  -9.627
  798    HG2  GLU 101           HG2      GLU 101  24.040  23.738 -11.924
  799    HG3  GLU 101           HG3      GLU 101  24.656  25.260 -12.577
  800    H    GLN 102           H        GLN 102  22.050  24.314  -8.724
  801    HA   GLN 102           HA       GLN 102  20.560  22.680 -10.543
  802    HB2  GLN 102           HB2      GLN 102  20.471  23.054  -7.523
  803    HB3  GLN 102           HB3      GLN 102  19.463  21.870  -8.360
  804    HG2  GLN 102           HG2      GLN 102  22.515  21.892  -8.534
  805    HG3  GLN 102           HG3      GLN 102  21.586  20.917  -7.405
  806   HE21  GLN 102          HE22      GLN 102  20.212  19.150  -8.271
  807   HE22  GLN 102          HE21      GLN 102  20.546  18.536  -9.882
  808    H    VAL 103           H        VAL 103  19.524  25.536  -8.618
  809    HA   VAL 103           HA       VAL 103  16.738  25.286  -9.340
  810    HB   VAL 103           HB       VAL 103  18.393  27.603  -8.321
  811   HG11  VAL 103          HG11      VAL 103  16.231  28.823  -7.928
  812   HG12  VAL 103          HG12      VAL 103  16.629  28.678  -9.637
  813   HG13  VAL 103          HG13      VAL 103  15.395  27.611  -8.921
  814   HG21  VAL 103          HG21      VAL 103  17.785  25.685  -6.764
  815   HG22  VAL 103          HG22      VAL 103  17.098  27.236  -6.264
  816   HG23  VAL 103          HG23      VAL 103  16.077  26.030  -7.070
  817    H    GLU 104           H        GLU 104  19.495  27.101 -10.874
  818    HA   GLU 104           HA       GLU 104  17.958  28.143 -13.045
  819    HB2  GLU 104           HB2      GLU 104  20.893  27.395 -12.755
  820    HB3  GLU 104           HB3      GLU 104  20.214  27.979 -14.279
  821    HG2  GLU 104           HG2      GLU 104  19.390  30.028 -13.151
  822    HG3  GLU 104           HG3      GLU 104  20.144  29.498 -11.643
  823    H    LYS 105           H        LYS 105  19.723  24.999 -12.729
  824    HA   LYS 105           HA       LYS 105  18.967  23.912 -15.225
  825    HB2  LYS 105           HB2      LYS 105  20.700  22.939 -13.809
  826    HB3  LYS 105           HB3      LYS 105  19.530  22.588 -12.548
  827    HG2  LYS 105           HG2      LYS 105  20.134  20.570 -13.762
  828    HG3  LYS 105           HG3      LYS 105  18.414  20.924 -13.935
  829    HD2  LYS 105           HD2      LYS 105  18.829  21.861 -16.195
  830    HD3  LYS 105           HD3      LYS 105  20.570  21.552 -15.996
  831    HE2  LYS 105           HE2      LYS 105  20.191  19.150 -15.900
  832    HE3  LYS 105           HE3      LYS 105  18.437  19.380 -15.804
  833    HZ1  LYS 105           HZ1      LYS 105  18.438  20.244 -18.049
  834    HZ2  LYS 105           HZ2      LYS 105  20.077  20.129 -18.161
  835    HZ3  LYS 105           HZ3      LYS 105  19.165  18.776 -18.052
  836    H    ALA 106           H        ALA 106  17.176  23.778 -12.097
  837    HA   ALA 106           HA       ALA 106  14.956  22.283 -13.091
  838    HB1  ALA 106           HB1      ALA 106  13.870  23.079 -11.031
  839    HB2  ALA 106           HB2      ALA 106  15.529  22.524 -10.712
  840    HB3  ALA 106           HB3      ALA 106  15.155  24.266 -10.781
  841    H    MET 107           H        MET 107  15.682  25.702 -13.523
  842    HA   MET 107           HA       MET 107  12.895  26.324 -14.322
  843    HB2  MET 107           HB2      MET 107  15.416  28.011 -14.129
  844    HB3  MET 107           HB3      MET 107  13.869  28.620 -14.732
  845    HG2  MET 107           HG2      MET 107  14.311  27.435 -11.965
  846    HG3  MET 107           HG3      MET 107  14.232  29.151 -12.342
  847    HE1  MET 107           HE1      MET 107  11.012  28.299 -10.224
  848    HE2  MET 107           HE2      MET 107  12.610  27.537 -10.108
  849    HE3  MET 107           HE3      MET 107  12.483  29.298 -10.314
  850    H    CYS 108           H        CYS 108  16.066  25.882 -15.939
  851    HA   CYS 108           HA       CYS 108  14.816  26.401 -18.572
  852    HB2  CYS 108           HB2      CYS 108  17.043  26.074 -19.476
  853    HB3  CYS 108           HB3      CYS 108  17.082  27.231 -18.139
  854    HG   CYS 108           HG       CYS 108  18.005  25.671 -16.336
  855    H    SER 109           H        SER 109  15.581  23.596 -16.654
  856    HA   SER 109           HA       SER 109  15.120  21.400 -16.802
  857    HB2  SER 109           HB2      SER 109  13.018  22.257 -18.810
  858    HB3  SER 109           HB3      SER 109  13.101  20.685 -17.990
  859    HG   SER 109           HG       SER 109  12.864  21.723 -15.997
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   3.239   0.411  -0.801
    2    H2   MET   1           H2       MET   1   4.197   1.708  -1.108
    3    H3   MET   1           H3       MET   1   4.348   0.884   0.307
    4    HA   MET   1           HA       MET   1   2.185   1.586   1.061
    5    HB2  MET   1           HB2      MET   1   3.840   3.939   0.006
    6    HB3  MET   1           HB3      MET   1   2.533   4.063   1.169
    7    HG2  MET   1           HG2      MET   1   5.139   2.574   1.609
    8    HG3  MET   1           HG3      MET   1   4.692   4.132   2.278
    9    HE1  MET   1           HE1      MET   1   4.717   1.918   5.478
   10    HE2  MET   1           HE2      MET   1   5.819   1.809   4.087
   11    HE3  MET   1           HE3      MET   1   5.315   3.401   4.706
   12    H    ALA   2           H        ALA   2   0.321   3.215   0.684
   13    HA   ALA   2           HA       ALA   2  -0.863   2.748  -1.928
   14    HB1  ALA   2           HB1      ALA   2  -2.708   4.106  -1.050
   15    HB2  ALA   2           HB2      ALA   2  -2.193   2.911   0.154
   16    HB3  ALA   2           HB3      ALA   2  -1.718   4.620   0.328
   17    H    LEU   3           H        LEU   3  -0.892   4.005  -3.700
   18    HA   LEU   3           HA       LEU   3  -0.158   6.836  -3.749
   19    HB2  LEU   3           HB2      LEU   3   2.047   5.872  -3.612
   20    HB3  LEU   3           HB3      LEU   3   1.665   4.644  -4.809
   21    HG   LEU   3           HG       LEU   3   1.652   6.288  -6.598
   22   HD11  LEU   3          HD11      LEU   3   2.212   8.363  -4.439
   23   HD12  LEU   3          HD12      LEU   3   2.444   8.638  -6.179
   24   HD13  LEU   3          HD13      LEU   3   0.826   8.304  -5.565
   25   HD21  LEU   3          HD21      LEU   3   4.040   6.841  -6.577
   26   HD22  LEU   3          HD22      LEU   3   4.106   6.596  -4.818
   27   HD23  LEU   3          HD23      LEU   3   3.786   5.221  -5.898
   28    H    THR   4           H        THR   4  -1.967   7.424  -4.834
   29    HA   THR   4           HA       THR   4  -3.135   5.678  -6.890
   30    HB   THR   4           HB       THR   4  -5.084   7.185  -6.703
   31    HG1  THR   4           HG1      THR   4  -4.918   8.788  -5.018
   32   HG21  THR   4          HG21      THR   4  -5.731   6.662  -4.429
   33   HG22  THR   4          HG22      THR   4  -4.799   5.303  -5.071
   34   HG23  THR   4          HG23      THR   4  -4.042   6.434  -3.930
   35    HA   PRO   5           HA       PRO   5  -2.160   8.187 -10.491
   36    HB2  PRO   5           HB2      PRO   5  -5.129   8.103 -11.066
   37    HB3  PRO   5           HB3      PRO   5  -3.755   7.803 -12.176
   38    HG2  PRO   5           HG2      PRO   5  -5.148   5.718 -11.150
   39    HG3  PRO   5           HG3      PRO   5  -3.351   5.651 -11.203
   40    HD2  PRO   5           HD2      PRO   5  -5.137   6.361  -8.860
   41    HD3  PRO   5           HD3      PRO   5  -3.723   5.262  -8.913
   42    H    ALA   6           H        ALA   6  -5.052   9.129  -8.546
   43    HA   ALA   6           HA       ALA   6  -5.127  11.873  -9.324
   44    HB1  ALA   6           HB1      ALA   6  -6.556  12.103  -7.322
   45    HB2  ALA   6           HB2      ALA   6  -7.000  10.665  -8.258
   46    HB3  ALA   6           HB3      ALA   6  -6.053  10.497  -6.758
   47    H    LEU   7           H        LEU   7  -3.394  10.248  -6.606
   48    HA   LEU   7           HA       LEU   7  -2.279  12.658  -5.497
   49    HB2  LEU   7           HB2      LEU   7  -2.446  10.561  -4.249
   50    HB3  LEU   7           HB3      LEU   7  -1.410   9.738  -5.409
   51    HG   LEU   7           HG       LEU   7   0.508  11.142  -4.741
   52   HD11  LEU   7          HD11      LEU   7   0.402  12.573  -2.760
   53   HD12  LEU   7          HD12      LEU   7  -0.683  13.192  -4.010
   54   HD13  LEU   7          HD13      LEU   7  -1.353  12.304  -2.621
   55   HD21  LEU   7          HD21      LEU   7  -0.867   9.872  -2.344
   56   HD22  LEU   7          HD22      LEU   7   0.016   8.993  -3.593
   57   HD23  LEU   7          HD23      LEU   7   0.879  10.135  -2.556
   58    H    LYS   8           H        LYS   8  -0.949  10.256  -7.839
   59    HA   LYS   8           HA       LYS   8   1.508  11.590  -8.374
   60    HB2  LYS   8           HB2      LYS   8  -0.274   9.859 -10.155
   61    HB3  LYS   8           HB3      LYS   8   1.346  10.396 -10.602
   62    HG2  LYS   8           HG2      LYS   8   2.301   9.219  -8.639
   63    HG3  LYS   8           HG3      LYS   8   0.698   8.616  -8.207
   64    HD2  LYS   8           HD2      LYS   8   0.520   7.503 -10.430
   65    HD3  LYS   8           HD3      LYS   8   2.109   8.151 -10.887
   66    HE2  LYS   8           HE2      LYS   8   3.135   6.891  -8.976
   67    HE3  LYS   8           HE3      LYS   8   1.550   6.171  -8.636
   68    HZ1  LYS   8           HZ1      LYS   8   1.586   5.185 -10.865
   69    HZ2  LYS   8           HZ2      LYS   8   3.055   5.842 -11.182
   70    HZ3  LYS   8           HZ3      LYS   8   2.894   4.706 -10.020
   71    H    THR   9           H        THR   9  -1.685  12.058  -9.976
   72    HA   THR   9           HA       THR   9  -0.896  14.003 -11.890
   73    HB   THR   9           HB       THR   9  -3.536  13.320 -10.644
   74    HG1  THR   9           HG1      THR   9  -2.877  11.622 -11.779
   75   HG21  THR   9          HG21      THR   9  -4.491  14.302 -12.731
   76   HG22  THR   9          HG22      THR   9  -3.764  15.503 -11.648
   77   HG23  THR   9          HG23      THR   9  -2.877  14.968 -13.099
   78    H    THR  10           H        THR  10  -2.143  14.352  -8.551
   79    HA   THR  10           HA       THR  10  -2.332  17.220  -8.557
   80    HB   THR  10           HB       THR  10  -1.828  15.315  -6.220
   81    HG1  THR  10           HG1      THR  10  -3.715  14.804  -7.244
   82   HG21  THR  10          HG21      THR  10  -2.928  17.115  -4.884
   83   HG22  THR  10          HG22      THR  10  -1.371  17.634  -5.548
   84   HG23  THR  10          HG23      THR  10  -2.883  18.181  -6.308
   85    H    LEU  11           H        LEU  11   0.295  15.049  -7.438
   86    HA   LEU  11           HA       LEU  11   2.155  17.137  -6.787
   87    HB2  LEU  11           HB2      LEU  11   2.324  14.164  -7.335
   88    HB3  LEU  11           HB3      LEU  11   3.788  15.107  -7.115
   89    HG   LEU  11           HG       LEU  11   3.441  15.530  -4.888
   90   HD11  LEU  11          HD11      LEU  11   0.473  14.890  -5.084
   91   HD12  LEU  11          HD12      LEU  11   1.362  15.262  -3.592
   92   HD13  LEU  11          HD13      LEU  11   1.196  16.497  -4.834
   93   HD21  LEU  11          HD21      LEU  11   2.788  13.375  -3.820
   94   HD22  LEU  11          HD22      LEU  11   2.100  12.836  -5.361
   95   HD23  LEU  11          HD23      LEU  11   3.841  13.147  -5.222
   96    H    ASP  12           H        ASP  12   1.813  15.239  -9.851
   97    HA   ASP  12           HA       ASP  12   3.840  16.597 -11.298
   98    HB2  ASP  12           HB2      ASP  12   2.734  14.536 -12.050
   99    HB3  ASP  12           HB3      ASP  12   1.214  15.411 -12.278
  100    H    LYS  13           H        LYS  13   0.325  17.460 -11.017
  101    HA   LYS  13           HA       LYS  13   0.458  19.855 -12.552
  102    HB2  LYS  13           HB2      LYS  13  -1.611  18.698 -11.904
  103    HB3  LYS  13           HB3      LYS  13  -1.354  19.144 -10.209
  104    HG2  LYS  13           HG2      LYS  13  -1.583  21.535 -10.772
  105    HG3  LYS  13           HG3      LYS  13  -1.645  21.146 -12.497
  106    HD2  LYS  13           HD2      LYS  13  -3.877  21.632 -11.704
  107    HD3  LYS  13           HD3      LYS  13  -3.772  19.923 -12.162
  108    HE2  LYS  13           HE2      LYS  13  -3.536  19.296  -9.770
  109    HE3  LYS  13           HE3      LYS  13  -3.564  21.008  -9.308
  110    HZ1  LYS  13           HZ1      LYS  13  -5.812  19.575 -10.628
  111    HZ2  LYS  13           HZ2      LYS  13  -5.750  19.985  -9.047
  112    HZ3  LYS  13           HZ3      LYS  13  -5.826  21.150 -10.189
  113    H    VAL  14           H        VAL  14   0.982  19.383  -9.029
  114    HA   VAL  14           HA       VAL  14   1.676  22.078  -8.459
  115    HB   VAL  14           HB       VAL  14   2.316  19.518  -7.119
  116   HG11  VAL  14          HG11      VAL  14   3.376  22.231  -6.298
  117   HG12  VAL  14          HG12      VAL  14   3.217  20.859  -5.173
  118   HG13  VAL  14          HG13      VAL  14   4.285  20.739  -6.574
  119   HG21  VAL  14          HG21      VAL  14   0.848  20.410  -5.376
  120   HG22  VAL  14          HG22      VAL  14   0.726  21.957  -6.239
  121   HG23  VAL  14          HG23      VAL  14   0.027  20.488  -6.942
  122    H    VAL  15           H        VAL  15   3.886  19.360  -9.376
  123    HA   VAL  15           HA       VAL  15   6.284  20.841  -9.394
  124    HB   VAL  15           HB       VAL  15   5.380  18.361 -10.756
  125   HG11  VAL  15          HG11      VAL  15   7.709  17.825 -11.404
  126   HG12  VAL  15          HG12      VAL  15   7.064  19.166 -12.334
  127   HG13  VAL  15          HG13      VAL  15   8.195  19.488 -10.996
  128   HG21  VAL  15          HG21      VAL  15   7.506  18.845  -8.632
  129   HG22  VAL  15          HG22      VAL  15   5.831  18.371  -8.287
  130   HG23  VAL  15          HG23      VAL  15   6.886  17.279  -9.196
  131    H    THR  16           H        THR  16   3.920  20.446 -12.038
  132    HA   THR  16           HA       THR  16   5.599  21.851 -13.988
  133    HB   THR  16           HB       THR  16   3.541  21.674 -15.444
  134    HG1  THR  16           HG1      THR  16   2.643  19.884 -13.465
  135   HG21  THR  16          HG21      THR  16   5.338  20.004 -15.553
  136   HG22  THR  16          HG22      THR  16   4.626  19.096 -14.202
  137   HG23  THR  16          HG23      THR  16   3.758  19.228 -15.749
  138    H    SER  17           H        SER  17   2.824  22.798 -11.964
  139    HA   SER  17           HA       SER  17   2.744  25.490 -13.112
  140    HB2  SER  17           HB2      SER  17   1.245  26.020 -11.241
  141    HB3  SER  17           HB3      SER  17   0.736  24.600 -12.160
  142    HG   SER  17           HG       SER  17   1.354  23.280 -10.523
  143    H    HIS  18           H        HIS  18   4.459  24.068 -10.313
  144    HA   HIS  18           HA       HIS  18   6.042  26.598 -10.073
  145    HB2  HIS  18           HB2      HIS  18   4.950  24.863  -7.810
  146    HB3  HIS  18           HB3      HIS  18   6.090  26.191  -7.608
  147    HD1  HIS  18           HD1      HIS  18   5.056  28.725  -8.101
  148    HD2  HIS  18           HD2      HIS  18   2.379  25.476  -8.014
  149    HE1  HIS  18           HE1      HIS  18   2.722  29.727  -7.902
  150    H    LYS  19           H        LYS  19   8.039  26.075 -10.784
  151    HA   LYS  19           HA       LYS  19   8.925  23.494 -11.265
  152    HB2  LYS  19           HB2      LYS  19   9.669  25.829 -12.153
  153    HB3  LYS  19           HB3      LYS  19  10.770  25.872 -10.787
  154    HG2  LYS  19           HG2      LYS  19  11.966  25.168 -12.717
  155    HG3  LYS  19           HG3      LYS  19  11.856  23.757 -11.662
  156    HD2  LYS  19           HD2      LYS  19  10.244  22.689 -13.073
  157    HD3  LYS  19           HD3      LYS  19   9.831  24.217 -13.888
  158    HE2  LYS  19           HE2      LYS  19  12.085  24.329 -14.886
  159    HE3  LYS  19           HE3      LYS  19  12.541  22.821 -14.091
  160    HZ1  LYS  19           HZ1      LYS  19  10.916  21.652 -15.408
  161    HZ2  LYS  19           HZ2      LYS  19  10.334  23.048 -16.073
  162    HZ3  LYS  19           HZ3      LYS  19  11.851  22.547 -16.427
  163    H    VAL  20           H        VAL  20   9.582  25.399  -8.387
  164    HA   VAL  20           HA       VAL  20  11.061  23.130  -7.089
  165    HB   VAL  20           HB       VAL  20  10.989  26.078  -6.319
  166   HG11  VAL  20          HG11      VAL  20  12.809  25.389  -4.703
  167   HG12  VAL  20          HG12      VAL  20  11.207  24.776  -4.285
  168   HG13  VAL  20          HG13      VAL  20  12.411  23.703  -5.035
  169   HG21  VAL  20          HG21      VAL  20  12.404  25.628  -8.331
  170   HG22  VAL  20          HG22      VAL  20  13.350  26.148  -6.935
  171   HG23  VAL  20          HG23      VAL  20  13.324  24.437  -7.386
  172    H    VAL  21           H        VAL  21  10.109  22.110  -5.402
  173    HA   VAL  21           HA       VAL  21   7.614  23.262  -4.206
  174    HB   VAL  21           HB       VAL  21   8.046  20.313  -4.813
  175   HG11  VAL  21          HG11      VAL  21   6.382  20.839  -3.063
  176   HG12  VAL  21          HG12      VAL  21   5.555  21.957  -4.170
  177   HG13  VAL  21          HG13      VAL  21   5.591  20.212  -4.508
  178   HG21  VAL  21          HG21      VAL  21   8.050  21.410  -7.004
  179   HG22  VAL  21          HG22      VAL  21   6.553  20.523  -6.741
  180   HG23  VAL  21          HG23      VAL  21   6.563  22.296  -6.571
  181    H    LEU  22           H        LEU  22   7.628  23.294  -2.029
  182    HA   LEU  22           HA       LEU  22   9.634  21.692  -0.521
  183    HB2  LEU  22           HB2      LEU  22   8.608  24.331  -0.236
  184    HB3  LEU  22           HB3      LEU  22   7.839  23.428   1.052
  185    HG   LEU  22           HG       LEU  22   9.764  24.441   1.937
  186   HD11  LEU  22          HD11      LEU  22  10.613  21.551   1.469
  187   HD12  LEU  22          HD12      LEU  22  11.087  22.614   2.801
  188   HD13  LEU  22          HD13      LEU  22   9.405  22.077   2.664
  189   HD21  LEU  22          HD21      LEU  22  10.921  24.959  -0.130
  190   HD22  LEU  22          HD22      LEU  22  12.034  24.135   0.969
  191   HD23  LEU  22          HD23      LEU  22  11.311  23.252  -0.391
  192    H    PHE  23           H        PHE  23   9.078  19.814   0.459
  193    HA   PHE  23           HA       PHE  23   6.201  19.384   1.207
  194    HB2  PHE  23           HB2      PHE  23   8.382  17.419   0.433
  195    HB3  PHE  23           HB3      PHE  23   6.877  16.955   1.211
  196    HD1  PHE  23           HD2      PHE  23   4.664  17.366   0.096
  197    HD2  PHE  23           HD1      PHE  23   8.405  17.973  -1.961
  198    HE1  PHE  23           HE2      PHE  23   3.485  17.246  -2.086
  199    HE2  PHE  23           HE1      PHE  23   7.212  17.848  -4.139
  200    HZ   PHE  23           HZ       PHE  23   4.760  17.497  -4.207
  201    H    MET  24           H        MET  24   5.780  19.426   3.284
  202    HA   MET  24           HA       MET  24   7.620  18.743   5.441
  203    HB2  MET  24           HB2      MET  24   7.945  21.011   6.303
  204    HB3  MET  24           HB3      MET  24   8.558  20.917   4.658
  205    HG2  MET  24           HG2      MET  24   6.397  21.961   3.854
  206    HG3  MET  24           HG3      MET  24   5.951  22.176   5.554
  207    HE1  MET  24           HE1      MET  24   6.658  25.817   4.924
  208    HE2  MET  24           HE2      MET  24   5.666  24.599   4.090
  209    HE3  MET  24           HE3      MET  24   5.730  24.611   5.863
  210    H    LYS  25           H        LYS  25   6.495  19.811   7.614
  211    HA   LYS  25           HA       LYS  25   3.713  18.822   7.553
  212    HB2  LYS  25           HB2      LYS  25   5.500  19.791   9.824
  213    HB3  LYS  25           HB3      LYS  25   3.882  19.091  10.016
  214    HG2  LYS  25           HG2      LYS  25   4.676  17.011   8.854
  215    HG3  LYS  25           HG3      LYS  25   6.319  17.658   8.870
  216    HD2  LYS  25           HD2      LYS  25   4.603  17.134  11.340
  217    HD3  LYS  25           HD3      LYS  25   5.865  16.059  10.720
  218    HE2  LYS  25           HE2      LYS  25   7.563  17.859  11.045
  219    HE3  LYS  25           HE3      LYS  25   6.309  18.920  11.701
  220    HZ1  LYS  25           HZ1      LYS  25   5.974  17.314  13.500
  221    HZ2  LYS  25           HZ2      LYS  25   7.130  16.326  12.891
  222    HZ3  LYS  25           HZ3      LYS  25   7.535  17.801  13.468
  223    H    GLY  26           H        GLY  26   3.935  21.114   5.985
  224    HA2  GLY  26           HA2      GLY  26   1.877  22.859   7.028
  225    HA3  GLY  26           HA3      GLY  26   3.442  23.637   7.153
  226    H    THR  27           H        THR  27   1.414  24.686   5.585
  227    HA   THR  27           HA       THR  27   2.066  24.094   2.733
  228    HB   THR  27           HB       THR  27   0.045  25.390   2.207
  229    HG1  THR  27           HG1      THR  27  -1.260  25.955   4.078
  230   HG21  THR  27          HG21      THR  27  -1.640  23.888   3.054
  231   HG22  THR  27          HG22      THR  27  -0.181  22.945   2.728
  232   HG23  THR  27          HG23      THR  27  -0.606  23.377   4.401
  233    H    LYS  28           H        LYS  28   1.835  26.239   1.350
  234    HA   LYS  28           HA       LYS  28   3.915  28.100   2.127
  235    HB2  LYS  28           HB2      LYS  28   3.252  27.406  -0.201
  236    HB3  LYS  28           HB3      LYS  28   1.770  28.348  -0.030
  237    HG2  LYS  28           HG2      LYS  28   3.086  30.418   0.205
  238    HG3  LYS  28           HG3      LYS  28   4.597  29.482   0.187
  239    HD2  LYS  28           HD2      LYS  28   4.101  28.694  -2.100
  240    HD3  LYS  28           HD3      LYS  28   2.568  29.595  -2.086
  241    HE2  LYS  28           HE2      LYS  28   3.839  31.719  -1.779
  242    HE3  LYS  28           HE3      LYS  28   5.360  30.809  -1.828
  243    HZ1  LYS  28           HZ1      LYS  28   3.393  30.984  -4.051
  244    HZ2  LYS  28           HZ2      LYS  28   4.833  31.757  -3.997
  245    HZ3  LYS  28           HZ3      LYS  28   4.791  30.120  -4.104
  246    H    ASP  29           H        ASP  29   0.419  28.091   2.561
  247    HA   ASP  29           HA       ASP  29   0.237  30.877   3.475
  248    HB2  ASP  29           HB2      ASP  29  -1.608  29.736   2.279
  249    HB3  ASP  29           HB3      ASP  29  -1.745  28.566   3.592
  250    H    PHE  30           H        PHE  30   0.493  27.650   4.961
  251    HA   PHE  30           HA       PHE  30   0.893  28.908   7.645
  252    HB2  PHE  30           HB2      PHE  30  -1.285  27.779   7.484
  253    HB3  PHE  30           HB3      PHE  30  -0.497  26.293   6.981
  254    HD1  PHE  30           HD2      PHE  30  -0.412  28.830   9.779
  255    HD2  PHE  30           HD1      PHE  30  -0.009  24.686   8.651
  256    HE1  PHE  30           HE2      PHE  30  -0.157  28.202  12.168
  257    HE2  PHE  30           HE1      PHE  30   0.249  24.062  11.039
  258    HZ   PHE  30           HZ       PHE  30   0.177  25.817  12.803
  259    HA   PRO  31           HA       PRO  31   4.674  26.528   6.430
  260    HB2  PRO  31           HB2      PRO  31   6.578  28.432   6.885
  261    HB3  PRO  31           HB3      PRO  31   5.582  28.407   5.396
  262    HG2  PRO  31           HG2      PRO  31   5.102  30.027   7.921
  263    HG3  PRO  31           HG3      PRO  31   5.138  30.612   6.222
  264    HD2  PRO  31           HD2      PRO  31   2.804  29.998   7.486
  265    HD3  PRO  31           HD3      PRO  31   3.044  29.648   5.746
  266    H    GLN  32           H        GLN  32   6.699  26.111   7.830
  267    HA   GLN  32           HA       GLN  32   5.993  26.179  10.740
  268    HB2  GLN  32           HB2      GLN  32   7.445  24.051   9.110
  269    HB3  GLN  32           HB3      GLN  32   7.390  24.067  10.872
  270    HG2  GLN  32           HG2      GLN  32   4.943  23.883   9.048
  271    HG3  GLN  32           HG3      GLN  32   5.741  22.523   9.820
  272   HE21  GLN  32          HE22      GLN  32   3.180  22.540  10.434
  273   HE22  GLN  32          HE21      GLN  32   2.896  23.225  12.032
  274    H    CYS  33           H        CYS  33   7.477  26.946  12.135
  275    HA   CYS  33           HA       CYS  33   9.708  28.481  11.134
  276    HB2  CYS  33           HB2      CYS  33   8.166  29.045  13.078
  277    HB3  CYS  33           HB3      CYS  33   8.996  27.788  14.017
  278    HG   CYS  33           HG       CYS  33   9.884  30.183  14.706
  279    H    GLY  34           H        GLY  34  11.912  28.299  11.850
  280    HA2  GLY  34           HA2      GLY  34  13.870  27.085  12.475
  281    HA3  GLY  34           HA3      GLY  34  12.968  25.556  12.405
  282    H    PHE  35           H        PHE  35  14.464  24.569  11.032
  283    HA   PHE  35           HA       PHE  35  15.758  25.723   8.858
  284    HB2  PHE  35           HB2      PHE  35  15.051  22.791   9.253
  285    HB3  PHE  35           HB3      PHE  35  16.312  23.420   8.201
  286    HD1  PHE  35           HD1      PHE  35  18.238  24.778   9.215
  287    HD2  PHE  35           HD2      PHE  35  15.571  22.321  11.555
  288    HE1  PHE  35           HE1      PHE  35  19.902  24.713  11.053
  289    HE2  PHE  35           HE2      PHE  35  17.237  22.274  13.394
  290    HZ   PHE  35           HZ       PHE  35  19.405  23.463  13.146
  291    H    SER  36           H        SER  36  12.517  24.277   8.821
  292    HA   SER  36           HA       SER  36  12.012  24.184   5.998
  293    HB2  SER  36           HB2      SER  36   9.599  24.654   6.903
  294    HB3  SER  36           HB3      SER  36  10.430  23.148   7.310
  295    HG   SER  36           HG       SER  36   9.743  25.283   8.985
  296    H    GLN  37           H        GLN  37  11.407  26.876   8.362
  297    HA   GLN  37           HA       GLN  37  10.646  28.791   6.370
  298    HB2  GLN  37           HB2      GLN  37  10.218  28.948   8.855
  299    HB3  GLN  37           HB3      GLN  37  11.933  29.296   9.092
  300    HG2  GLN  37           HG2      GLN  37  10.754  31.377   9.117
  301    HG3  GLN  37           HG3      GLN  37  11.671  31.333   7.614
  302   HE21  GLN  37          HE22      GLN  37   8.378  31.098   9.030
  303   HE22  GLN  37          HE21      GLN  37   7.553  31.364   7.504
  304    H    THR  38           H        THR  38  13.889  28.012   7.821
  305    HA   THR  38           HA       THR  38  15.377  29.923   6.430
  306    HB   THR  38           HB       THR  38  16.339  27.107   7.076
  307    HG1  THR  38           HG1      THR  38  16.900  28.214   9.097
  308   HG21  THR  38          HG21      THR  38  17.712  29.822   7.021
  309   HG22  THR  38          HG22      THR  38  18.474  28.272   7.467
  310   HG23  THR  38          HG23      THR  38  17.912  28.534   5.812
  311    H    VAL  39           H        VAL  39  14.653  26.546   5.297
  312    HA   VAL  39           HA       VAL  39  15.913  27.064   2.767
  313    HB   VAL  39           HB       VAL  39  14.830  25.131   1.806
  314   HG11  VAL  39          HG11      VAL  39  15.996  23.511   3.126
  315   HG12  VAL  39          HG12      VAL  39  16.951  25.003   3.072
  316   HG13  VAL  39          HG13      VAL  39  16.045  24.587   4.540
  317   HG21  VAL  39          HG21      VAL  39  13.504  24.664   4.489
  318   HG22  VAL  39          HG22      VAL  39  12.646  25.153   3.017
  319   HG23  VAL  39          HG23      VAL  39  13.480  23.591   3.083
  320    H    VAL  40           H        VAL  40  12.499  27.547   3.769
  321    HA   VAL  40           HA       VAL  40  11.532  28.299   1.176
  322    HB   VAL  40           HB       VAL  40  10.654  29.021   3.985
  323   HG11  VAL  40          HG11      VAL  40   9.395  29.956   1.374
  324   HG12  VAL  40          HG12      VAL  40   8.552  29.954   2.943
  325   HG13  VAL  40          HG13      VAL  40   9.978  30.969   2.710
  326   HG21  VAL  40          HG21      VAL  40   9.345  27.382   1.762
  327   HG22  VAL  40          HG22      VAL  40  10.246  26.698   3.126
  328   HG23  VAL  40          HG23      VAL  40   8.743  27.579   3.420
  329    H    GLN  41           H        GLN  41  13.036  30.347   3.756
  330    HA   GLN  41           HA       GLN  41  13.003  32.786   2.218
  331    HB2  GLN  41           HB2      GLN  41  14.660  31.811   4.584
  332    HB3  GLN  41           HB3      GLN  41  14.817  33.433   3.913
  333    HG2  GLN  41           HG2      GLN  41  12.173  32.308   4.956
  334    HG3  GLN  41           HG3      GLN  41  13.301  33.245   5.930
  335   HE21  GLN  41          HE22      GLN  41  13.638  35.556   5.392
  336   HE22  GLN  41          HE21      GLN  41  12.441  36.382   4.407
  337    H    ILE  42           H        ILE  42  15.511  30.227   2.518
  338    HA   ILE  42           HA       ILE  42  17.521  31.442   0.930
  339    HB   ILE  42           HB       ILE  42  16.751  28.615   1.619
  340   HG12  ILE  42          HG12      ILE  42  19.311  30.202   2.068
  341   HG13  ILE  42          HG13      ILE  42  17.959  30.182   3.194
  342   HG21  ILE  42          HG21      ILE  42  18.716  27.681   0.467
  343   HG22  ILE  42          HG22      ILE  42  17.517  28.284  -0.655
  344   HG23  ILE  42          HG23      ILE  42  18.969  29.251  -0.341
  345   HD11  ILE  42          HD11      ILE  42  19.623  28.648   3.991
  346   HD12  ILE  42          HD12      ILE  42  18.228  27.695   3.438
  347   HD13  ILE  42          HD13      ILE  42  19.699  27.798   2.443
  348    H    LEU  43           H        LEU  43  14.816  29.371  -0.259
  349    HA   LEU  43           HA       LEU  43  15.618  29.508  -3.017
  350    HB2  LEU  43           HB2      LEU  43  12.922  29.049  -1.645
  351    HB3  LEU  43           HB3      LEU  43  13.170  28.854  -3.381
  352    HG   LEU  43           HG       LEU  43  14.751  27.272  -1.300
  353   HD11  LEU  43          HD11      LEU  43  12.400  26.767  -1.013
  354   HD12  LEU  43          HD12      LEU  43  12.178  26.560  -2.760
  355   HD13  LEU  43          HD13      LEU  43  13.183  25.409  -1.839
  356   HD21  LEU  43          HD21      LEU  43  15.134  25.748  -3.253
  357   HD22  LEU  43          HD22      LEU  43  14.401  26.975  -4.313
  358   HD23  LEU  43          HD23      LEU  43  15.899  27.330  -3.430
  359    H    LYS  44           H        LYS  44  13.165  31.400  -1.229
  360    HA   LYS  44           HA       LYS  44  12.401  33.229  -3.225
  361    HB2  LYS  44           HB2      LYS  44  12.779  33.572  -0.220
  362    HB3  LYS  44           HB3      LYS  44  12.079  34.820  -1.254
  363    HG2  LYS  44           HG2      LYS  44  10.211  33.427  -1.854
  364    HG3  LYS  44           HG3      LYS  44  10.940  32.000  -1.121
  365    HD2  LYS  44           HD2      LYS  44   9.208  32.836   0.349
  366    HD3  LYS  44           HD3      LYS  44  10.784  33.039   1.118
  367    HE2  LYS  44           HE2      LYS  44  10.783  35.453   0.371
  368    HE3  LYS  44           HE3      LYS  44   9.165  35.215  -0.300
  369    HZ1  LYS  44           HZ1      LYS  44   9.918  34.905   2.566
  370    HZ2  LYS  44           HZ2      LYS  44   9.079  36.164   1.930
  371    HZ3  LYS  44           HZ3      LYS  44   8.400  34.678   1.962
  372    H    SER  45           H        SER  45  15.034  33.639  -0.846
  373    HA   SER  45           HA       SER  45  16.069  36.087  -1.832
  374    HB2  SER  45           HB2      SER  45  16.317  35.119   0.465
  375    HB3  SER  45           HB3      SER  45  17.481  33.950  -0.189
  376    HG   SER  45           HG       SER  45  18.488  35.813   0.720
  377    H    LEU  46           H        LEU  46  17.094  32.715  -2.660
  378    HA   LEU  46           HA       LEU  46  19.334  33.431  -4.269
  379    HB2  LEU  46           HB2      LEU  46  17.360  31.115  -4.264
  380    HB3  LEU  46           HB3      LEU  46  18.554  31.253  -5.542
  381    HG   LEU  46           HG       LEU  46  19.256  31.054  -2.580
  382   HD11  LEU  46          HD11      LEU  46  18.236  28.984  -3.405
  383   HD12  LEU  46          HD12      LEU  46  19.298  28.990  -4.831
  384   HD13  LEU  46          HD13      LEU  46  19.983  28.755  -3.212
  385   HD21  LEU  46          HD21      LEU  46  21.042  32.208  -3.774
  386   HD22  LEU  46          HD22      LEU  46  21.549  30.539  -3.520
  387   HD23  LEU  46          HD23      LEU  46  20.948  31.040  -5.114
  388    H    ASN  47           H        ASN  47  15.932  33.571  -4.848
  389    HA   ASN  47           HA       ASN  47  14.994  35.385  -5.989
  390    HB2  ASN  47           HB2      ASN  47  17.143  36.275  -6.884
  391    HB3  ASN  47           HB3      ASN  47  17.019  35.128  -8.227
  392   HD21  ASN  47          HD22      ASN  47  17.106  37.227  -9.481
  393   HD22  ASN  47          HD21      ASN  47  15.580  38.050  -9.762
  394    H    ALA  48           H        ALA  48  13.836  33.242  -5.608
  395    HA   ALA  48           HA       ALA  48  12.957  32.195  -8.278
  396    HB1  ALA  48           HB1      ALA  48  13.944  30.425  -6.009
  397    HB2  ALA  48           HB2      ALA  48  13.296  29.866  -7.558
  398    HB3  ALA  48           HB3      ALA  48  14.819  30.779  -7.516
  399    HA   PRO  49           HA       PRO  49   8.924  31.772  -6.255
  400    HB2  PRO  49           HB2      PRO  49   7.507  30.676  -8.277
  401    HB3  PRO  49           HB3      PRO  49   8.104  32.360  -8.379
  402    HG2  PRO  49           HG2      PRO  49   9.375  29.861  -9.548
  403    HG3  PRO  49           HG3      PRO  49   9.036  31.415 -10.373
  404    HD2  PRO  49           HD2      PRO  49  11.484  30.810  -9.289
  405    HD3  PRO  49           HD3      PRO  49  10.845  32.478  -9.327
  406    H    PHE  50           H        PHE  50   7.493  29.987  -5.641
  407    HA   PHE  50           HA       PHE  50   8.406  27.231  -5.848
  408    HB2  PHE  50           HB2      PHE  50   9.154  26.943  -3.594
  409    HB3  PHE  50           HB3      PHE  50  10.048  28.304  -4.239
  410    HD1  PHE  50           HD1      PHE  50   9.150  30.711  -3.683
  411    HD2  PHE  50           HD2      PHE  50   7.955  27.154  -1.560
  412    HE1  PHE  50           HE1      PHE  50   8.220  32.107  -1.860
  413    HE2  PHE  50           HE2      PHE  50   7.066  28.555   0.283
  414    HZ   PHE  50           HZ       PHE  50   7.183  31.032   0.135
  415    H    GLU  51           H        GLU  51   7.152  25.782  -4.414
  416    HA   GLU  51           HA       GLU  51   4.532  26.833  -3.466
  417    HB2  GLU  51           HB2      GLU  51   4.158  25.624  -5.555
  418    HB3  GLU  51           HB3      GLU  51   5.059  24.235  -4.961
  419    HG2  GLU  51           HG2      GLU  51   2.652  23.843  -4.938
  420    HG3  GLU  51           HG3      GLU  51   3.301  23.757  -3.314
  421    H    SER  52           H        SER  52   3.669  25.423  -1.662
  422    HA   SER  52           HA       SER  52   5.650  23.609  -0.431
  423    HB2  SER  52           HB2      SER  52   4.605  26.005   1.091
  424    HB3  SER  52           HB3      SER  52   5.497  24.648   1.801
  425    HG   SER  52           HG       SER  52   6.691  25.746  -0.420
  426    H    VAL  53           H        VAL  53   4.706  21.841   0.352
  427    HA   VAL  53           HA       VAL  53   1.707  21.809   0.594
  428    HB   VAL  53           HB       VAL  53   3.600  19.692  -0.486
  429   HG11  VAL  53          HG11      VAL  53   1.514  18.494  -1.174
  430   HG12  VAL  53          HG12      VAL  53   1.672  18.614   0.580
  431   HG13  VAL  53          HG13      VAL  53   0.557  19.696  -0.284
  432   HG21  VAL  53          HG21      VAL  53   2.474  20.092  -2.671
  433   HG22  VAL  53          HG22      VAL  53   1.592  21.455  -1.953
  434   HG23  VAL  53          HG23      VAL  53   3.363  21.509  -2.113
  435    H    ASN  54           H        ASN  54   0.857  21.001   2.407
  436    HA   ASN  54           HA       ASN  54   2.547  20.043   4.570
  437    HB2  ASN  54           HB2      ASN  54   0.618  21.435   5.059
  438    HB3  ASN  54           HB3      ASN  54  -0.472  20.251   4.333
  439   HD21  ASN  54          HD22      ASN  54  -1.479  20.469   6.601
  440   HD22  ASN  54          HD21      ASN  54  -0.830  19.409   7.835
  441    H    ILE  55           H        ILE  55   3.401  18.005   4.431
  442    HA   ILE  55           HA       ILE  55   2.301  15.877   2.847
  443    HB   ILE  55           HB       ILE  55   3.819  14.367   4.069
  444   HG12  ILE  55          HG12      ILE  55   5.179  16.641   5.487
  445   HG13  ILE  55          HG13      ILE  55   3.743  15.985   6.249
  446   HG21  ILE  55          HG21      ILE  55   4.500  15.658   2.078
  447   HG22  ILE  55          HG22      ILE  55   5.108  16.961   3.110
  448   HG23  ILE  55          HG23      ILE  55   5.869  15.357   3.166
  449   HD11  ILE  55          HD11      ILE  55   6.144  14.322   5.411
  450   HD12  ILE  55          HD12      ILE  55   5.797  14.884   7.062
  451   HD13  ILE  55          HD13      ILE  55   4.700  13.736   6.278
  452    H    LEU  56           H        LEU  56   1.505  16.763   6.153
  453    HA   LEU  56           HA       LEU  56   0.133  14.198   6.670
  454    HB2  LEU  56           HB2      LEU  56   0.473  16.735   8.336
  455    HB3  LEU  56           HB3      LEU  56  -0.264  15.242   8.904
  456    HG   LEU  56           HG       LEU  56   2.641  15.597   8.107
  457   HD11  LEU  56          HD11      LEU  56   2.042  16.612  10.264
  458   HD12  LEU  56          HD12      LEU  56   1.320  15.076  10.799
  459   HD13  LEU  56          HD13      LEU  56   3.071  15.190  10.501
  460   HD21  LEU  56          HD21      LEU  56   1.182  13.101   9.035
  461   HD22  LEU  56          HD22      LEU  56   2.051  13.348   7.495
  462   HD23  LEU  56          HD23      LEU  56   2.955  13.281   9.009
  463    H    GLU  57           H        GLU  57  -0.835  16.599   4.730
  464    HA   GLU  57           HA       GLU  57  -3.381  17.392   5.705
  465    HB2  GLU  57           HB2      GLU  57  -2.114  18.446   3.860
  466    HB3  GLU  57           HB3      GLU  57  -2.433  17.042   2.828
  467    HG2  GLU  57           HG2      GLU  57  -4.848  17.515   2.904
  468    HG3  GLU  57           HG3      GLU  57  -4.577  18.836   4.051
  469    H    ASN  58           H        ASN  58  -2.402  14.373   4.073
  470    HA   ASN  58           HA       ASN  58  -4.929  13.141   4.797
  471    HB2  ASN  58           HB2      ASN  58  -5.318  14.375   2.561
  472    HB3  ASN  58           HB3      ASN  58  -4.251  13.194   1.825
  473   HD21  ASN  58          HD22      ASN  58  -6.744  13.352   0.790
  474   HD22  ASN  58          HD21      ASN  58  -7.747  12.023   1.342
  475    H    GLU  59           H        GLU  59  -4.917  10.795   4.506
  476    HA   GLU  59           HA       GLU  59  -2.470   9.743   5.516
  477    HB2  GLU  59           HB2      GLU  59  -4.980   8.331   4.539
  478    HB3  GLU  59           HB3      GLU  59  -3.656   7.548   5.413
  479    HG2  GLU  59           HG2      GLU  59  -4.000   9.090   7.329
  480    HG3  GLU  59           HG3      GLU  59  -5.375   9.820   6.496
  481    H    LEU  60           H        LEU  60  -3.832   9.448   2.198
  482    HA   LEU  60           HA       LEU  60  -1.801   7.629   1.328
  483    HB2  LEU  60           HB2      LEU  60  -2.628   7.824  -0.815
  484    HB3  LEU  60           HB3      LEU  60  -4.023   7.891   0.238
  485    HG   LEU  60           HG       LEU  60  -2.743  10.317  -1.138
  486   HD11  LEU  60          HD11      LEU  60  -3.681   8.721  -2.755
  487   HD12  LEU  60          HD12      LEU  60  -5.231   8.722  -1.879
  488   HD13  LEU  60          HD13      LEU  60  -4.647  10.200  -2.683
  489   HD21  LEU  60          HD21      LEU  60  -5.378  10.048   0.365
  490   HD22  LEU  60          HD22      LEU  60  -3.972  11.039   0.834
  491   HD23  LEU  60          HD23      LEU  60  -4.890  11.451  -0.608
  492    H    LEU  61           H        LEU  61  -1.803  11.153   1.541
  493    HA   LEU  61           HA       LEU  61   0.382  11.602  -0.289
  494    HB2  LEU  61           HB2      LEU  61  -1.248  13.331   0.279
  495    HB3  LEU  61           HB3      LEU  61  -0.803  13.256   1.981
  496    HG   LEU  61           HG       LEU  61   1.433  14.162   1.478
  497   HD11  LEU  61          HD11      LEU  61   1.742  13.388  -0.856
  498   HD12  LEU  61          HD12      LEU  61   0.433  14.473  -1.387
  499   HD13  LEU  61          HD13      LEU  61   1.939  15.142  -0.724
  500   HD21  LEU  61          HD21      LEU  61  -0.457  15.648   2.054
  501   HD22  LEU  61          HD22      LEU  61   0.673  16.443   0.941
  502   HD23  LEU  61          HD23      LEU  61  -0.868  15.810   0.329
  503    H    ARG  62           H        ARG  62   0.341  11.607   3.322
  504    HA   ARG  62           HA       ARG  62   3.096  11.886   3.673
  505    HB2  ARG  62           HB2      ARG  62   2.783  11.079   5.959
  506    HB3  ARG  62           HB3      ARG  62   1.544  12.232   5.476
  507    HG2  ARG  62           HG2      ARG  62  -0.064  10.405   5.099
  508    HG3  ARG  62           HG3      ARG  62   1.144   9.211   5.592
  509    HD2  ARG  62           HD2      ARG  62   0.058  11.459   7.342
  510    HD3  ARG  62           HD3      ARG  62  -0.528   9.787   7.350
  511    HE   ARG  62           HE       ARG  62   2.262   9.676   7.770
  512   HH11  ARG  62          HH11      ARG  62  -0.605  10.780   9.542
  513   HH12  ARG  62          HH12      ARG  62   0.149  10.537  11.085
  514   HH21  ARG  62          HH21      ARG  62   3.176   9.403   9.806
  515   HH22  ARG  62          HH22      ARG  62   2.257   9.760  11.231
  516    H    GLN  63           H        GLN  63   1.420   8.867   2.931
  517    HA   GLN  63           HA       GLN  63   3.905   7.289   3.398
  518    HB2  GLN  63           HB2      GLN  63   2.566   5.361   3.219
  519    HB3  GLN  63           HB3      GLN  63   1.693   6.505   4.227
  520    HG2  GLN  63           HG2      GLN  63   0.271   7.101   2.222
  521    HG3  GLN  63           HG3      GLN  63   1.102   5.867   1.291
  522   HE21  GLN  63          HE22      GLN  63  -1.232   6.439   3.874
  523   HE22  GLN  63          HE21      GLN  63  -1.759   4.750   3.989
  524    H    GLY  64           H        GLY  64   1.855   8.300   0.597
  525    HA2  GLY  64           HA2      GLY  64   3.280   6.581  -1.258
  526    HA3  GLY  64           HA3      GLY  64   2.042   7.808  -1.628
  527    H    LEU  65           H        LEU  65   3.498  10.035  -0.404
  528    HA   LEU  65           HA       LEU  65   5.027  10.951  -2.596
  529    HB2  LEU  65           HB2      LEU  65   3.922  12.366  -0.908
  530    HB3  LEU  65           HB3      LEU  65   5.045  11.784   0.324
  531    HG   LEU  65           HG       LEU  65   6.939  12.818  -0.990
  532   HD11  LEU  65          HD11      LEU  65   5.884  12.954  -3.235
  533   HD12  LEU  65          HD12      LEU  65   4.701  14.118  -2.601
  534   HD13  LEU  65          HD13      LEU  65   6.425  14.538  -2.670
  535   HD21  LEU  65          HD21      LEU  65   5.814  13.890   0.953
  536   HD22  LEU  65          HD22      LEU  65   6.464  15.046  -0.216
  537   HD23  LEU  65          HD23      LEU  65   4.710  14.716  -0.173
  538    H    LYS  66           H        LYS  66   6.081   9.276   0.359
  539    HA   LYS  66           HA       LYS  66   8.862   9.598   0.267
  540    HB2  LYS  66           HB2      LYS  66   7.480   8.564   2.074
  541    HB3  LYS  66           HB3      LYS  66   7.224   7.141   1.060
  542    HG2  LYS  66           HG2      LYS  66   9.685   6.703   1.089
  543    HG3  LYS  66           HG3      LYS  66   9.895   8.125   2.144
  544    HD2  LYS  66           HD2      LYS  66   8.460   7.089   3.863
  545    HD3  LYS  66           HD3      LYS  66   8.164   5.696   2.804
  546    HE2  LYS  66           HE2      LYS  66  10.593   5.158   2.823
  547    HE3  LYS  66           HE3      LYS  66  10.893   6.544   3.884
  548    HZ1  LYS  66           HZ1      LYS  66   9.493   5.486   5.568
  549    HZ2  LYS  66           HZ2      LYS  66   9.211   4.196   4.594
  550    HZ3  LYS  66           HZ3      LYS  66  10.716   4.486   5.152
  551    H    GLU  67           H        GLU  67   7.027   6.918  -1.318
  552    HA   GLU  67           HA       GLU  67   9.446   6.063  -2.745
  553    HB2  GLU  67           HB2      GLU  67   8.141   4.266  -3.624
  554    HB3  GLU  67           HB3      GLU  67   7.927   4.384  -1.881
  555    HG2  GLU  67           HG2      GLU  67   5.702   5.396  -2.187
  556    HG3  GLU  67           HG3      GLU  67   5.925   5.385  -3.947
  557    H    TYR  68           H        TYR  68   6.681   8.147  -3.502
  558    HA   TYR  68           HA       TYR  68   7.016   8.176  -6.357
  559    HB2  TYR  68           HB2      TYR  68   4.994   8.968  -5.247
  560    HB3  TYR  68           HB3      TYR  68   5.908  10.209  -4.407
  561    HD1  TYR  68           HD1      TYR  68   4.566   9.178  -7.706
  562    HD2  TYR  68           HD2      TYR  68   6.532  12.293  -5.462
  563    HE1  TYR  68           HE1      TYR  68   4.058  10.805  -9.523
  564    HE2  TYR  68           HE2      TYR  68   6.004  13.924  -7.256
  565    HH   TYR  68           HH       TYR  68   4.219  13.001 -10.221
  566    H    SER  69           H        SER  69   8.378  10.392  -3.788
  567    HA   SER  69           HA       SER  69   9.960  11.804  -5.806
  568    HB2  SER  69           HB2      SER  69  10.815  13.132  -4.031
  569    HB3  SER  69           HB3      SER  69   9.079  12.950  -3.778
  570    HG   SER  69           HG       SER  69  10.686  12.697  -1.958
  571    H    SER  70           H        SER  70  10.706   9.580  -3.183
  572    HA   SER  70           HA       SER  70  11.980   7.567  -3.613
  573    HB2  SER  70           HB2      SER  70  14.200   9.374  -4.588
  574    HB3  SER  70           HB3      SER  70  14.277   7.619  -4.373
  575    HG   SER  70           HG       SER  70  12.691   9.116  -6.147
  576    H    TRP  71           H        TRP  71  12.687  10.646  -2.081
  577    HA   TRP  71           HA       TRP  71  14.757   9.561  -0.389
  578    HB2  TRP  71           HB2      TRP  71  14.267  12.045  -1.228
  579    HB3  TRP  71           HB3      TRP  71  13.423  12.152   0.305
  580    HD1  TRP  71           HD1      TRP  71  16.823  10.655  -0.812
  581    HE1  TRP  71           HE1      TRP  71  18.692  11.435   0.752
  582    HE3  TRP  71           HE3      TRP  71  14.066  13.611   2.317
  583    HZ2  TRP  71           HZ2      TRP  71  18.946  13.076   3.109
  584    HZ3  TRP  71           HZ3      TRP  71  15.146  14.773   4.223
  585    HH2  TRP  71           HH2      TRP  71  17.580  14.499   4.642
  586    HA   PRO  72           HA       PRO  72  12.177   7.700   2.545
  587    HB2  PRO  72           HB2      PRO  72  13.846   7.130   4.617
  588    HB3  PRO  72           HB3      PRO  72  14.079   6.457   2.976
  589    HG2  PRO  72           HG2      PRO  72  15.420   8.908   4.180
  590    HG3  PRO  72           HG3      PRO  72  16.196   7.510   3.368
  591    HD2  PRO  72           HD2      PRO  72  15.624   9.806   2.036
  592    HD3  PRO  72           HD3      PRO  72  15.461   8.207   1.244
  593    H    THR  73           H        THR  73  13.232  10.896   3.469
  594    HA   THR  73           HA       THR  73  11.300  10.920   5.731
  595    HB   THR  73           HB       THR  73  12.850  12.134   7.185
  596    HG1  THR  73           HG1      THR  73  14.748  11.460   5.206
  597   HG21  THR  73          HG21      THR  73  14.066   9.465   6.364
  598   HG22  THR  73          HG22      THR  73  14.234  10.310   7.917
  599   HG23  THR  73          HG23      THR  73  12.659   9.671   7.434
  600    H    PHE  74           H        PHE  74  10.995  13.132   6.608
  601    HA   PHE  74           HA       PHE  74  11.166  15.270   4.573
  602    HB2  PHE  74           HB2      PHE  74   8.631  14.397   6.020
  603    HB3  PHE  74           HB3      PHE  74   8.770  15.850   5.046
  604    HD1  PHE  74           HD1      PHE  74   9.162  15.708   2.578
  605    HD2  PHE  74           HD2      PHE  74   8.363  12.214   4.969
  606    HE1  PHE  74           HE1      PHE  74   8.827  14.369   0.509
  607    HE2  PHE  74           HE2      PHE  74   7.990  10.886   2.905
  608    HZ   PHE  74           HZ       PHE  74   8.263  11.949   0.673
  609    HA   PRO  75           HA       PRO  75   9.962  17.793   4.902
  610    HB2  PRO  75           HB2      PRO  75  12.217  19.632   5.686
  611    HB3  PRO  75           HB3      PRO  75  10.590  20.067   5.097
  612    HG2  PRO  75           HG2      PRO  75  11.141  20.210   7.735
  613    HG3  PRO  75           HG3      PRO  75   9.608  19.419   7.222
  614    HD2  PRO  75           HD2      PRO  75  12.244  18.117   7.956
  615    HD3  PRO  75           HD3      PRO  75  10.599  17.693   8.504
  616    H    GLN  76           H        GLN  76  10.731  18.333   2.769
  617    HA   GLN  76           HA       GLN  76  13.484  17.761   1.977
  618    HB2  GLN  76           HB2      GLN  76  12.812  15.520   2.206
  619    HB3  GLN  76           HB3      GLN  76  11.221  15.799   1.544
  620    HG2  GLN  76           HG2      GLN  76  13.416  16.302  -0.409
  621    HG3  GLN  76           HG3      GLN  76  13.366  14.668   0.215
  622   HE21  GLN  76          HE22      GLN  76  10.719  17.022  -0.738
  623   HE22  GLN  76          HE21      GLN  76   9.935  15.822  -1.767
  624    H    LEU  77           H        LEU  77  14.005  18.826   0.150
  625    HA   LEU  77           HA       LEU  77  11.984  20.356  -1.354
  626    HB2  LEU  77           HB2      LEU  77  15.008  20.116  -1.354
  627    HB3  LEU  77           HB3      LEU  77  14.181  20.757  -2.777
  628    HG   LEU  77           HG       LEU  77  13.144  22.522  -1.392
  629   HD11  LEU  77          HD11      LEU  77  14.977  21.423   0.792
  630   HD12  LEU  77          HD12      LEU  77  14.209  23.021   0.839
  631   HD13  LEU  77          HD13      LEU  77  13.208  21.567   0.857
  632   HD21  LEU  77          HD21      LEU  77  15.151  22.927  -2.720
  633   HD22  LEU  77          HD22      LEU  77  15.215  23.864  -1.224
  634   HD23  LEU  77          HD23      LEU  77  16.176  22.373  -1.384
  635    H    TYR  78           H        TYR  78  11.252  19.962  -3.326
  636    HA   TYR  78           HA       TYR  78  12.289  17.696  -4.966
  637    HB2  TYR  78           HB2      TYR  78  10.120  17.248  -3.631
  638    HB3  TYR  78           HB3      TYR  78   9.360  18.454  -4.650
  639    HD1  TYR  78           HD2      TYR  78  11.522  15.404  -4.970
  640    HD2  TYR  78           HD1      TYR  78   8.078  17.532  -6.430
  641    HE1  TYR  78           HE2      TYR  78  11.072  13.553  -6.559
  642    HE2  TYR  78           HE1      TYR  78   7.526  15.606  -7.906
  643    HH   TYR  78           HH       TYR  78   8.129  13.484  -8.595
  644    H    ILE  79           H        ILE  79  12.648  18.273  -7.098
  645    HA   ILE  79           HA       ILE  79  11.571  20.877  -8.103
  646    HB   ILE  79           HB       ILE  79  14.521  20.138  -8.341
  647   HG12  ILE  79          HG12      ILE  79  13.271  22.069  -6.344
  648   HG13  ILE  79          HG13      ILE  79  14.088  20.555  -5.950
  649   HG21  ILE  79          HG21      ILE  79  12.951  22.711  -8.850
  650   HG22  ILE  79          HG22      ILE  79  14.699  22.496  -9.130
  651   HG23  ILE  79          HG23      ILE  79  13.533  21.604 -10.099
  652   HD11  ILE  79          HD11      ILE  79  15.400  23.045  -7.069
  653   HD12  ILE  79          HD12      ILE  79  15.606  22.315  -5.471
  654   HD13  ILE  79          HD13      ILE  79  16.209  21.466  -6.904
  655    H    ASP  80           H        ASP  80  10.822  20.684 -10.107
  656    HA   ASP  80           HA       ASP  80  10.252  19.809 -12.129
  657    HB2  ASP  80           HB2      ASP  80  12.506  20.868 -12.399
  658    HB3  ASP  80           HB3      ASP  80  13.236  19.267 -12.293
  659    H    GLY  81           H        GLY  81  10.193  17.746  -9.934
  660    HA2  GLY  81           HA2      GLY  81   9.260  15.578 -10.019
  661    HA3  GLY  81           HA3      GLY  81   9.893  15.344 -11.660
  662    H    GLU  82           H        GLU  82  12.259  16.532  -9.394
  663    HA   GLU  82           HA       GLU  82  13.098  13.790  -8.589
  664    HB2  GLU  82           HB2      GLU  82  14.349  14.566 -10.613
  665    HB3  GLU  82           HB3      GLU  82  14.952  15.945  -9.682
  666    HG2  GLU  82           HG2      GLU  82  16.139  14.439  -8.156
  667    HG3  GLU  82           HG3      GLU  82  15.387  13.024  -8.906
  668    H    PHE  83           H        PHE  83  14.133  13.656  -6.556
  669    HA   PHE  83           HA       PHE  83  13.571  15.876  -4.740
  670    HB2  PHE  83           HB2      PHE  83  14.006  14.429  -2.991
  671    HB3  PHE  83           HB3      PHE  83  13.237  13.410  -4.190
  672    HD1  PHE  83           HD1      PHE  83  14.642  11.747  -5.498
  673    HD2  PHE  83           HD2      PHE  83  16.279  14.096  -2.277
  674    HE1  PHE  83           HE1      PHE  83  16.605  10.227  -5.377
  675    HE2  PHE  83           HE2      PHE  83  18.237  12.595  -2.170
  676    HZ   PHE  83           HZ       PHE  83  18.408  10.647  -3.719
  677    H    PHE  84           H        PHE  84  14.921  17.156  -3.649
  678    HA   PHE  84           HA       PHE  84  17.768  17.287  -4.546
  679    HB2  PHE  84           HB2      PHE  84  16.221  19.234  -4.905
  680    HB3  PHE  84           HB3      PHE  84  16.040  19.354  -3.165
  681    HD1  PHE  84           HD2      PHE  84  18.404  19.693  -6.003
  682    HD2  PHE  84           HD1      PHE  84  17.797  20.337  -1.777
  683    HE1  PHE  84           HE2      PHE  84  20.475  21.062  -5.905
  684    HE2  PHE  84           HE1      PHE  84  19.861  21.708  -1.698
  685    HZ   PHE  84           HZ       PHE  84  21.212  22.052  -3.758
  686    H    GLY  85           H        GLY  85  15.714  16.812  -1.707
  687    HA2  GLY  85           HA2      GLY  85  16.638  15.304   0.016
  688    HA3  GLY  85           HA3      GLY  85  18.136  16.240  -0.015
  689    H    GLY  86           H        GLY  86  17.657  16.206   2.323
  690    HA2  GLY  86           HA2      GLY  86  15.398  17.632   3.431
  691    HA3  GLY  86           HA3      GLY  86  16.802  17.008   4.312
  692    H    CYS  87           H        CYS  87  15.765  19.274   5.220
  693    HA   CYS  87           HA       CYS  87  16.595  21.666   3.943
  694    HB2  CYS  87           HB2      CYS  87  15.906  21.125   6.873
  695    HB3  CYS  87           HB3      CYS  87  16.083  22.737   6.140
  696    HG   CYS  87           HG       CYS  87  13.521  22.050   6.454
  697    H    ASP  88           H        ASP  88  18.295  19.850   6.537
  698    HA   ASP  88           HA       ASP  88  20.413  21.735   6.868
  699    HB2  ASP  88           HB2      ASP  88  19.889  19.897   8.434
  700    HB3  ASP  88           HB3      ASP  88  20.419  18.716   7.235
  701    H    ILE  89           H        ILE  89  20.150  18.909   4.701
  702    HA   ILE  89           HA       ILE  89  22.669  19.209   3.329
  703    HB   ILE  89           HB       ILE  89  20.002  18.077   2.353
  704   HG12  ILE  89          HG12      ILE  89  22.486  16.618   3.380
  705   HG13  ILE  89          HG13      ILE  89  21.059  16.943   4.364
  706   HG21  ILE  89          HG21      ILE  89  21.319  16.931   0.584
  707   HG22  ILE  89          HG22      ILE  89  21.415  18.670   0.415
  708   HG23  ILE  89          HG23      ILE  89  22.782  17.783   1.124
  709   HD11  ILE  89          HD11      ILE  89  19.662  15.625   2.765
  710   HD12  ILE  89          HD12      ILE  89  21.154  15.147   1.912
  711   HD13  ILE  89          HD13      ILE  89  20.914  14.686   3.602
  712    H    THR  90           H        THR  90  19.471  20.641   2.714
  713    HA   THR  90           HA       THR  90  20.179  22.134   0.376
  714    HB   THR  90           HB       THR  90  17.990  22.673   2.416
  715    HG1  THR  90           HG1      THR  90  17.766  20.649   1.497
  716   HG21  THR  90          HG21      THR  90  16.840  23.816   0.584
  717   HG22  THR  90          HG22      THR  90  18.366  24.631   0.915
  718   HG23  THR  90          HG23      THR  90  18.225  23.537  -0.487
  719    H    VAL  91           H        VAL  91  20.186  23.102   3.820
  720    HA   VAL  91           HA       VAL  91  21.161  25.747   3.382
  721    HB   VAL  91           HB       VAL  91  21.358  23.884   5.762
  722   HG11  VAL  91          HG11      VAL  91  23.265  25.399   6.011
  723   HG12  VAL  91          HG12      VAL  91  22.237  26.804   5.631
  724   HG13  VAL  91          HG13      VAL  91  21.988  25.884   7.130
  725   HG21  VAL  91          HG21      VAL  91  19.093  24.813   5.111
  726   HG22  VAL  91          HG22      VAL  91  19.637  25.348   6.706
  727   HG23  VAL  91          HG23      VAL  91  19.748  26.445   5.314
  728    H    GLU  92           H        GLU  92  23.027  22.657   3.758
  729    HA   GLU  92           HA       GLU  92  25.610  23.950   3.523
  730    HB2  GLU  92           HB2      GLU  92  24.734  21.085   2.993
  731    HB3  GLU  92           HB3      GLU  92  26.404  21.658   2.891
  732    HG2  GLU  92           HG2      GLU  92  26.243  22.442   5.272
  733    HG3  GLU  92           HG3      GLU  92  24.665  21.664   5.390
  734    H    ALA  93           H        ALA  93  23.385  22.511   1.070
  735    HA   ALA  93           HA       ALA  93  25.108  22.901  -1.172
  736    HB1  ALA  93           HB1      ALA  93  23.044  22.557  -2.469
  737    HB2  ALA  93           HB2      ALA  93  23.139  21.404  -1.129
  738    HB3  ALA  93           HB3      ALA  93  22.059  22.810  -1.015
  739    H    TYR  94           H        TYR  94  22.674  25.087   0.300
  740    HA   TYR  94           HA       TYR  94  22.917  27.285  -1.512
  741    HB2  TYR  94           HB2      TYR  94  21.109  27.131   0.067
  742    HB3  TYR  94           HB3      TYR  94  22.206  27.021   1.431
  743    HD1  TYR  94           HD2      TYR  94  21.367  29.358  -1.394
  744    HD2  TYR  94           HD1      TYR  94  22.571  28.940   2.723
  745    HE1  TYR  94           HE2      TYR  94  21.159  31.823  -1.089
  746    HE2  TYR  94           HE1      TYR  94  22.394  31.393   3.034
  747    HH   TYR  94           HH       TYR  94  21.881  33.405   2.051
  748    H    LYS  95           H        LYS  95  24.723  26.555   1.511
  749    HA   LYS  95           HA       LYS  95  26.509  28.826   1.345
  750    HB2  LYS  95           HB2      LYS  95  26.602  26.150   2.802
  751    HB3  LYS  95           HB3      LYS  95  27.857  27.378   2.974
  752    HG2  LYS  95           HG2      LYS  95  26.309  29.004   3.854
  753    HG3  LYS  95           HG3      LYS  95  24.919  27.954   3.543
  754    HD2  LYS  95           HD2      LYS  95  25.801  26.279   5.134
  755    HD3  LYS  95           HD3      LYS  95  27.202  27.298   5.474
  756    HE2  LYS  95           HE2      LYS  95  24.297  28.135   5.947
  757    HE3  LYS  95           HE3      LYS  95  25.318  27.382   7.174
  758    HZ1  LYS  95           HZ1      LYS  95  25.352  29.785   7.397
  759    HZ2  LYS  95           HZ2      LYS  95  26.846  29.265   6.991
  760    HZ3  LYS  95           HZ3      LYS  95  25.892  29.991   5.871
  761    H    SER  96           H        SER  96  26.648  25.585  -0.078
  762    HA   SER  96           HA       SER  96  29.407  25.921  -1.060
  763    HB2  SER  96           HB2      SER  96  27.337  23.791  -1.693
  764    HB3  SER  96           HB3      SER  96  29.080  23.709  -2.003
  765    HG   SER  96           HG       SER  96  27.692  23.706   0.482
  766    H    GLY  97           H        GLY  97  26.324  26.901  -2.260
  767    HA2  GLY  97           HA2      GLY  97  25.882  28.171  -4.174
  768    HA3  GLY  97           HA3      GLY  97  27.449  27.705  -4.875
  769    H    GLU  98           H        GLU  98  26.012  24.908  -3.812
  770    HA   GLU  98           HA       GLU  98  25.605  23.949  -6.518
  771    HB2  GLU  98           HB2      GLU  98  24.996  22.611  -3.848
  772    HB3  GLU  98           HB3      GLU  98  25.051  21.819  -5.426
  773    HG2  GLU  98           HG2      GLU  98  27.469  22.552  -5.623
  774    HG3  GLU  98           HG3      GLU  98  27.375  23.127  -3.956
  775    H    LEU  99           H        LEU  99  23.420  24.904  -3.853
  776    HA   LEU  99           HA       LEU  99  20.970  24.011  -5.055
  777    HB2  LEU  99           HB2      LEU  99  21.596  24.913  -2.622
  778    HB3  LEU  99           HB3      LEU  99  21.176  26.479  -3.297
  779    HG   LEU  99           HG       LEU  99  19.445  24.034  -2.812
  780   HD11  LEU  99          HD11      LEU  99  18.104  25.695  -1.522
  781   HD12  LEU  99          HD12      LEU  99  19.777  25.558  -0.953
  782   HD13  LEU  99          HD13      LEU  99  19.283  26.943  -1.948
  783   HD21  LEU  99          HD21      LEU  99  17.504  25.252  -3.782
  784   HD22  LEU  99          HD22      LEU  99  18.626  26.444  -4.473
  785   HD23  LEU  99          HD23      LEU  99  18.680  24.734  -4.980
  786    H    GLN 100           H        GLN 100  22.621  27.196  -5.157
  787    HA   GLN 100           HA       GLN 100  20.851  28.549  -6.918
  788    HB2  GLN 100           HB2      GLN 100  22.739  29.550  -5.577
  789    HB3  GLN 100           HB3      GLN 100  23.892  28.819  -6.688
  790    HG2  GLN 100           HG2      GLN 100  22.895  30.133  -8.574
  791    HG3  GLN 100           HG3      GLN 100  21.777  30.888  -7.437
  792   HE21  GLN 100          HE21      GLN 100  22.860  32.179  -5.564
  793   HE22  GLN 100          HE22      GLN 100  24.378  32.967  -5.962
  794    H    GLU 101           H        GLU 101  23.817  26.627  -7.725
  795    HA   GLU 101           HA       GLU 101  23.615  26.895 -10.519
  796    HB2  GLU 101           HB2      GLU 101  25.602  26.101  -9.248
  797    HB3  GLU 101           HB3      GLU 101  24.782  24.563  -8.936
  798    HG2  GLU 101           HG2      GLU 101  24.695  24.096 -11.357
  799    HG3  GLU 101           HG3      GLU 101  25.392  25.680 -11.709
  800    H    GLN 102           H        GLN 102  22.289  24.223  -8.434
  801    HA   GLN 102           HA       GLN 102  21.095  22.860 -10.653
  802    HB2  GLN 102           HB2      GLN 102  20.602  22.741  -7.658
  803    HB3  GLN 102           HB3      GLN 102  19.764  21.700  -8.812
  804    HG2  GLN 102           HG2      GLN 102  22.811  21.810  -8.566
  805    HG3  GLN 102           HG3      GLN 102  21.796  20.637  -7.738
  806   HE21  GLN 102          HE22      GLN 102  20.419  19.153  -9.137
  807   HE22  GLN 102          HE21      GLN 102  21.065  18.739 -10.716
  808    H    VAL 103           H        VAL 103  19.756  25.391  -8.466
  809    HA   VAL 103           HA       VAL 103  17.094  25.258  -9.570
  810    HB   VAL 103           HB       VAL 103  18.612  27.423  -8.105
  811   HG11  VAL 103          HG11      VAL 103  16.473  28.700  -7.914
  812   HG12  VAL 103          HG12      VAL 103  17.105  28.707  -9.557
  813   HG13  VAL 103          HG13      VAL 103  15.741  27.643  -9.140
  814   HG21  VAL 103          HG21      VAL 103  16.075  25.845  -7.422
  815   HG22  VAL 103          HG22      VAL 103  17.696  25.362  -6.918
  816   HG23  VAL 103          HG23      VAL 103  17.005  26.891  -6.329
  817    H    GLU 104           H        GLU 104  19.983  27.249 -10.567
  818    HA   GLU 104           HA       GLU 104  18.644  28.556 -12.726
  819    HB2  GLU 104           HB2      GLU 104  21.563  27.840 -12.245
  820    HB3  GLU 104           HB3      GLU 104  21.011  28.641 -13.719
  821    HG2  GLU 104           HG2      GLU 104  19.962  30.444 -12.323
  822    HG3  GLU 104           HG3      GLU 104  20.713  29.729 -10.896
  823    H    LYS 105           H        LYS 105  20.499  25.461 -12.702
  824    HA   LYS 105           HA       LYS 105  20.085  24.778 -15.435
  825    HB2  LYS 105           HB2      LYS 105  20.588  23.139 -12.931
  826    HB3  LYS 105           HB3      LYS 105  20.460  22.412 -14.531
  827    HG2  LYS 105           HG2      LYS 105  22.365  23.632 -15.370
  828    HG3  LYS 105           HG3      LYS 105  22.419  24.673 -13.953
  829    HD2  LYS 105           HD2      LYS 105  24.189  23.070 -13.770
  830    HD3  LYS 105           HD3      LYS 105  22.984  22.733 -12.521
  831    HE2  LYS 105           HE2      LYS 105  22.018  20.938 -14.027
  832    HE3  LYS 105           HE3      LYS 105  23.331  21.248 -15.176
  833    HZ1  LYS 105           HZ1      LYS 105  23.865  19.397 -13.704
  834    HZ2  LYS 105           HZ2      LYS 105  24.904  20.626 -13.404
  835    HZ3  LYS 105           HZ3      LYS 105  23.655  20.329 -12.369
  836    H    ALA 106           H        ALA 106  17.992  24.061 -12.585
  837    HA   ALA 106           HA       ALA 106  16.014  22.600 -14.080
  838    HB1  ALA 106           HB1      ALA 106  14.592  23.010 -12.102
  839    HB2  ALA 106           HB2      ALA 106  16.223  22.511 -11.620
  840    HB3  ALA 106           HB3      ALA 106  15.747  24.214 -11.495
  841    H    MET 107           H        MET 107  16.203  26.107 -13.239
  842    HA   MET 107           HA       MET 107  13.661  26.775 -14.364
  843    HB2  MET 107           HB2      MET 107  16.099  28.467 -13.702
  844    HB3  MET 107           HB3      MET 107  14.570  29.148 -14.254
  845    HG2  MET 107           HG2      MET 107  14.836  27.407 -11.774
  846    HG3  MET 107           HG3      MET 107  14.856  29.167 -11.778
  847    HE1  MET 107           HE1      MET 107  13.008  27.343  -9.966
  848    HE2  MET 107           HE2      MET 107  13.059  29.121  -9.919
  849    HE3  MET 107           HE3      MET 107  11.497  28.276 -10.041
  850    H    CYS 108           H        CYS 108  16.931  26.871 -15.886
  851    HA   CYS 108           HA       CYS 108  15.750  27.782 -18.427
  852    HB2  CYS 108           HB2      CYS 108  17.972  27.622 -19.333
  853    HB3  CYS 108           HB3      CYS 108  18.026  28.468 -17.786
  854    HG   CYS 108           HG       CYS 108  18.910  26.542 -16.351
  855    H    SER 109           H        SER 109  16.392  24.668 -16.982
  856    HA   SER 109           HA       SER 109  15.948  22.522 -17.566
  857    HB2  SER 109           HB2      SER 109  13.858  23.859 -19.328
  858    HB3  SER 109           HB3      SER 109  13.971  22.109 -19.080
  859    HG   SER 109           HG       SER 109  14.039  23.703 -16.785
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1   1.725   1.131  -6.732
    2    H2   MET   1           H2       MET   1   0.920   0.353  -7.926
    3    H3   MET   1           H3       MET   1   0.100   1.292  -6.868
    4    HA   MET   1           HA       MET   1  -0.250  -1.031  -6.406
    5    HB2  MET   1           HB2      MET   1   1.899  -1.850  -7.282
    6    HB3  MET   1           HB3      MET   1   2.759  -1.146  -5.919
    7    HG2  MET   1           HG2      MET   1   2.428  -3.537  -5.614
    8    HG3  MET   1           HG3      MET   1   1.548  -2.663  -4.372
    9    HE1  MET   1           HE1      MET   1   1.157  -5.741  -4.979
   10    HE2  MET   1           HE2      MET   1   0.236  -4.866  -3.728
   11    HE3  MET   1           HE3      MET   1  -0.614  -5.887  -4.908
   12    H    ALA   2           H        ALA   2   2.391   0.042  -4.141
   13    HA   ALA   2           HA       ALA   2   0.599  -0.078  -1.894
   14    HB1  ALA   2           HB1      ALA   2   2.538   0.837  -0.673
   15    HB2  ALA   2           HB2      ALA   2   3.028  -0.478  -1.754
   16    HB3  ALA   2           HB3      ALA   2   3.356   1.213  -2.200
   17    H    LEU   3           H        LEU   3   1.878   2.671  -3.776
   18    HA   LEU   3           HA       LEU   3  -0.093   4.543  -2.527
   19    HB2  LEU   3           HB2      LEU   3   2.162   5.112  -4.504
   20    HB3  LEU   3           HB3      LEU   3   1.165   6.303  -3.671
   21    HG   LEU   3           HG       LEU   3   3.223   4.448  -2.397
   22   HD11  LEU   3          HD11      LEU   3   4.105   6.377  -3.719
   23   HD12  LEU   3          HD12      LEU   3   3.188   7.483  -2.671
   24   HD13  LEU   3          HD13      LEU   3   4.490   6.474  -1.995
   25   HD21  LEU   3          HD21      LEU   3   2.795   5.695  -0.292
   26   HD22  LEU   3          HD22      LEU   3   1.426   6.525  -1.065
   27   HD23  LEU   3          HD23      LEU   3   1.388   4.770  -0.799
   28    H    THR   4           H        THR   4  -1.433   5.856  -3.970
   29    HA   THR   4           HA       THR   4  -2.626   4.186  -6.050
   30    HB   THR   4           HB       THR   4  -4.375   5.924  -6.150
   31    HG1  THR   4           HG1      THR   4  -4.153   7.578  -4.479
   32   HG21  THR   4          HG21      THR   4  -3.678   5.222  -3.259
   33   HG22  THR   4          HG22      THR   4  -5.275   5.639  -3.915
   34   HG23  THR   4          HG23      THR   4  -4.492   4.128  -4.402
   35    HA   PRO   5           HA       PRO   5  -0.922   6.277  -9.653
   36    HB2  PRO   5           HB2      PRO   5  -3.749   6.239 -10.699
   37    HB3  PRO   5           HB3      PRO   5  -2.240   5.735 -11.512
   38    HG2  PRO   5           HG2      PRO   5  -3.940   3.878 -10.509
   39    HG3  PRO   5           HG3      PRO   5  -2.169   3.692 -10.271
   40    HD2  PRO   5           HD2      PRO   5  -4.224   4.783  -8.328
   41    HD3  PRO   5           HD3      PRO   5  -2.910   3.598  -8.050
   42    H    ALA   6           H        ALA   6  -4.053   7.457  -8.307
   43    HA   ALA   6           HA       ALA   6  -3.998  10.082  -9.356
   44    HB1  ALA   6           HB1      ALA   6  -5.984   8.992  -8.385
   45    HB2  ALA   6           HB2      ALA   6  -5.229   9.011  -6.770
   46    HB3  ALA   6           HB3      ALA   6  -5.655  10.532  -7.577
   47    H    LEU   7           H        LEU   7  -2.562   8.839  -6.297
   48    HA   LEU   7           HA       LEU   7  -1.632  11.368  -5.303
   49    HB2  LEU   7           HB2      LEU   7  -1.870   9.338  -3.968
   50    HB3  LEU   7           HB3      LEU   7  -0.630   8.502  -4.888
   51    HG   LEU   7           HG       LEU   7  -0.024  11.050  -3.338
   52   HD11  LEU   7          HD11      LEU   7   0.690   9.572  -1.456
   53   HD12  LEU   7          HD12      LEU   7  -1.049   9.485  -1.758
   54   HD13  LEU   7          HD13      LEU   7   0.020   8.174  -2.318
   55   HD21  LEU   7          HD21      LEU   7   2.270   9.986  -3.173
   56   HD22  LEU   7          HD22      LEU   7   1.709   8.702  -4.265
   57   HD23  LEU   7          HD23      LEU   7   1.811  10.385  -4.820
   58    H    LYS   8           H        LYS   8   0.114   8.822  -7.179
   59    HA   LYS   8           HA       LYS   8   2.484  10.338  -7.516
   60    HB2  LYS   8           HB2      LYS   8   2.115   7.853  -7.841
   61    HB3  LYS   8           HB3      LYS   8   1.392   8.213  -9.414
   62    HG2  LYS   8           HG2      LYS   8   3.527   9.306 -10.124
   63    HG3  LYS   8           HG3      LYS   8   4.216   8.967  -8.519
   64    HD2  LYS   8           HD2      LYS   8   3.972   6.530  -8.930
   65    HD3  LYS   8           HD3      LYS   8   3.258   6.871 -10.524
   66    HE2  LYS   8           HE2      LYS   8   5.358   8.047 -11.197
   67    HE3  LYS   8           HE3      LYS   8   6.067   7.691  -9.620
   68    HZ1  LYS   8           HZ1      LYS   8   5.884   5.312 -10.143
   69    HZ2  LYS   8           HZ2      LYS   8   5.230   5.648 -11.611
   70    HZ3  LYS   8           HZ3      LYS   8   6.771   6.080 -11.278
   71    H    THR   9           H        THR   9  -0.442  10.259  -9.581
   72    HA   THR   9           HA       THR   9   0.435  11.971 -11.678
   73    HB   THR   9           HB       THR   9  -2.271  11.310 -10.584
   74    HG1  THR   9           HG1      THR   9  -1.425   9.517 -11.405
   75   HG21  THR   9          HG21      THR   9  -1.465  12.645 -13.179
   76   HG22  THR   9          HG22      THR   9  -3.075  11.951 -12.849
   77   HG23  THR   9          HG23      THR   9  -2.495  13.323 -11.884
   78    H    THR  10           H        THR  10  -1.176  12.690  -8.545
   79    HA   THR  10           HA       THR  10  -1.438  15.525  -8.967
   80    HB   THR  10           HB       THR  10  -1.172  13.984  -6.342
   81    HG1  THR  10           HG1      THR  10  -2.908  13.263  -7.514
   82   HG21  THR  10          HG21      THR  10  -2.284  16.764  -6.959
   83   HG22  THR  10          HG22      THR  10  -2.463  15.907  -5.411
   84   HG23  THR  10          HG23      THR  10  -0.858  16.393  -5.964
   85    H    LEU  11           H        LEU  11   1.139  13.622  -7.315
   86    HA   LEU  11           HA       LEU  11   2.854  15.841  -6.759
   87    HB2  LEU  11           HB2      LEU  11   3.534  12.918  -7.325
   88    HB3  LEU  11           HB3      LEU  11   4.659  14.107  -6.679
   89    HG   LEU  11           HG       LEU  11   2.128  13.132  -5.285
   90   HD11  LEU  11          HD11      LEU  11   3.711  12.044  -3.745
   91   HD12  LEU  11          HD12      LEU  11   3.955  11.464  -5.403
   92   HD13  LEU  11          HD13      LEU  11   5.079  12.643  -4.705
   93   HD21  LEU  11          HD21      LEU  11   2.537  15.443  -4.621
   94   HD22  LEU  11          HD22      LEU  11   3.043  14.375  -3.312
   95   HD23  LEU  11          HD23      LEU  11   4.267  15.095  -4.381
   96    H    ASP  12           H        ASP  12   2.893  13.674  -9.650
   97    HA   ASP  12           HA       ASP  12   4.945  15.022 -11.040
   98    HB2  ASP  12           HB2      ASP  12   4.026  12.821 -11.662
   99    HB3  ASP  12           HB3      ASP  12   2.502  13.573 -12.132
  100    H    LYS  13           H        LYS  13   1.377  15.671 -11.177
  101    HA   LYS  13           HA       LYS  13   1.539  17.922 -12.938
  102    HB2  LYS  13           HB2      LYS  13  -0.480  17.051 -10.836
  103    HB3  LYS  13           HB3      LYS  13  -0.684  18.533 -11.777
  104    HG2  LYS  13           HG2      LYS  13  -0.650  17.318 -13.871
  105    HG3  LYS  13           HG3      LYS  13  -0.304  15.789 -13.050
  106    HD2  LYS  13           HD2      LYS  13  -2.462  15.942 -11.839
  107    HD3  LYS  13           HD3      LYS  13  -2.841  17.460 -12.656
  108    HE2  LYS  13           HE2      LYS  13  -2.351  14.798 -14.078
  109    HE3  LYS  13           HE3      LYS  13  -3.947  15.393 -13.611
  110    HZ1  LYS  13           HZ1      LYS  13  -3.596  17.326 -15.043
  111    HZ2  LYS  13           HZ2      LYS  13  -2.133  16.759 -15.520
  112    HZ3  LYS  13           HZ3      LYS  13  -3.487  15.944 -15.905
  113    H    VAL  14           H        VAL  14   1.633  17.867  -9.329
  114    HA   VAL  14           HA       VAL  14   2.018  20.673  -9.057
  115    HB   VAL  14           HB       VAL  14   2.741  18.424  -7.250
  116   HG11  VAL  14          HG11      VAL  14   3.014  21.399  -6.637
  117   HG12  VAL  14          HG12      VAL  14   3.049  20.110  -5.423
  118   HG13  VAL  14          HG13      VAL  14   4.318  20.191  -6.641
  119   HG21  VAL  14          HG21      VAL  14   0.310  18.943  -7.597
  120   HG22  VAL  14          HG22      VAL  14   0.827  19.230  -5.932
  121   HG23  VAL  14          HG23      VAL  14   0.614  20.594  -7.044
  122    H    VAL  15           H        VAL  15   4.507  18.078  -9.270
  123    HA   VAL  15           HA       VAL  15   6.796  19.738  -9.135
  124    HB   VAL  15           HB       VAL  15   6.309  17.069 -10.353
  125   HG11  VAL  15          HG11      VAL  15   8.177  17.905 -11.674
  126   HG12  VAL  15          HG12      VAL  15   9.007  18.472 -10.200
  127   HG13  VAL  15          HG13      VAL  15   8.782  16.736 -10.504
  128   HG21  VAL  15          HG21      VAL  15   6.292  17.324  -7.842
  129   HG22  VAL  15          HG22      VAL  15   7.580  16.260  -8.419
  130   HG23  VAL  15          HG23      VAL  15   7.956  17.921  -7.930
  131    H    THR  16           H        THR  16   4.943  18.749 -12.055
  132    HA   THR  16           HA       THR  16   6.725  20.220 -13.841
  133    HB   THR  16           HB       THR  16   5.027  19.663 -15.592
  134    HG1  THR  16           HG1      THR  16   3.889  18.029 -13.600
  135   HG21  THR  16          HG21      THR  16   6.064  17.357 -13.871
  136   HG22  THR  16          HG22      THR  16   5.486  17.233 -15.549
  137   HG23  THR  16          HG23      THR  16   6.928  18.187 -15.181
  138    H    SER  17           H        SER  17   3.656  21.042 -12.278
  139    HA   SER  17           HA       SER  17   3.282  23.454 -13.866
  140    HB2  SER  17           HB2      SER  17   2.065  22.722 -11.171
  141    HB3  SER  17           HB3      SER  17   1.515  24.001 -12.264
  142    HG   SER  17           HG       SER  17   1.445  21.193 -12.613
  143    H    HIS  18           H        HIS  18   4.717  22.884 -10.618
  144    HA   HIS  18           HA       HIS  18   5.296  25.826 -10.408
  145    HB2  HIS  18           HB2      HIS  18   5.084  23.686  -8.247
  146    HB3  HIS  18           HB3      HIS  18   5.276  25.416  -7.993
  147    HD1  HIS  18           HD1      HIS  18   3.069  26.942  -9.009
  148    HD2  HIS  18           HD2      HIS  18   2.610  22.809  -8.395
  149    HE1  HIS  18           HE1      HIS  18   0.562  26.494  -8.973
  150    H    LYS  19           H        LYS  19   6.997  22.942 -10.985
  151    HA   LYS  19           HA       LYS  19   9.122  22.234 -10.918
  152    HB2  LYS  19           HB2      LYS  19   9.662  25.218 -11.115
  153    HB3  LYS  19           HB3      LYS  19  10.926  23.978 -11.167
  154    HG2  LYS  19           HG2      LYS  19   9.699  22.834 -13.033
  155    HG3  LYS  19           HG3      LYS  19   8.549  24.181 -13.074
  156    HD2  LYS  19           HD2      LYS  19  10.302  25.733 -13.731
  157    HD3  LYS  19           HD3      LYS  19  11.557  24.515 -13.410
  158    HE2  LYS  19           HE2      LYS  19  10.544  23.044 -15.168
  159    HE3  LYS  19           HE3      LYS  19   9.400  24.338 -15.571
  160    HZ1  LYS  19           HZ1      LYS  19  12.357  24.593 -15.718
  161    HZ2  LYS  19           HZ2      LYS  19  11.427  24.255 -17.007
  162    HZ3  LYS  19           HZ3      LYS  19  11.263  25.711 -16.255
  163    H    VAL  20           H        VAL  20   9.064  24.853  -8.497
  164    HA   VAL  20           HA       VAL  20  10.873  23.247  -6.729
  165    HB   VAL  20           HB       VAL  20   9.722  26.021  -6.311
  166   HG11  VAL  20          HG11      VAL  20  11.402  26.283  -4.568
  167   HG12  VAL  20          HG12      VAL  20  10.359  24.905  -4.186
  168   HG13  VAL  20          HG13      VAL  20  11.987  24.626  -4.844
  169   HG21  VAL  20          HG21      VAL  20  11.970  26.894  -6.845
  170   HG22  VAL  20          HG22      VAL  20  12.527  25.252  -7.218
  171   HG23  VAL  20          HG23      VAL  20  11.295  26.037  -8.232
  172    H    VAL  21           H        VAL  21  10.012  21.952  -5.167
  173    HA   VAL  21           HA       VAL  21   7.208  22.441  -4.232
  174    HB   VAL  21           HB       VAL  21   8.353  19.723  -4.971
  175   HG11  VAL  21          HG11      VAL  21   5.546  20.626  -4.173
  176   HG12  VAL  21          HG12      VAL  21   5.976  18.996  -4.738
  177   HG13  VAL  21          HG13      VAL  21   6.632  19.595  -3.215
  178   HG21  VAL  21          HG21      VAL  21   6.429  21.507  -6.526
  179   HG22  VAL  21          HG22      VAL  21   8.033  20.937  -7.049
  180   HG23  VAL  21          HG23      VAL  21   6.708  19.785  -6.861
  181    H    LEU  22           H        LEU  22   7.005  22.440  -2.103
  182    HA   LEU  22           HA       LEU  22   9.085  21.182  -0.352
  183    HB2  LEU  22           HB2      LEU  22   7.000  23.364   0.076
  184    HB3  LEU  22           HB3      LEU  22   7.761  22.545   1.421
  185    HG   LEU  22           HG       LEU  22   8.763  24.687   1.021
  186   HD11  LEU  22          HD11      LEU  22  10.138  22.877   1.982
  187   HD12  LEU  22          HD12      LEU  22  10.736  22.467   0.358
  188   HD13  LEU  22          HD13      LEU  22  11.109  24.050   1.070
  189   HD21  LEU  22          HD21      LEU  22   8.449  24.839  -1.450
  190   HD22  LEU  22          HD22      LEU  22  10.082  25.272  -0.917
  191   HD23  LEU  22          HD23      LEU  22   9.794  23.700  -1.669
  192    H    PHE  23           H        PHE  23   8.613  19.628   1.059
  193    HA   PHE  23           HA       PHE  23   5.809  18.586   1.245
  194    HB2  PHE  23           HB2      PHE  23   8.465  17.116   1.500
  195    HB3  PHE  23           HB3      PHE  23   6.877  16.399   1.741
  196    HD1  PHE  23           HD2      PHE  23   5.186  16.980  -0.318
  197    HD2  PHE  23           HD1      PHE  23   9.456  16.539  -0.569
  198    HE1  PHE  23           HE2      PHE  23   4.999  16.627  -2.776
  199    HE2  PHE  23           HE1      PHE  23   9.252  16.029  -2.996
  200    HZ   PHE  23           HZ       PHE  23   7.037  16.144  -4.117
  201    H    MET  24           H        MET  24   4.903  19.015   3.113
  202    HA   MET  24           HA       MET  24   5.955  18.452   5.697
  203    HB2  MET  24           HB2      MET  24   6.118  20.783   6.613
  204    HB3  MET  24           HB3      MET  24   7.386  20.380   5.489
  205    HG2  MET  24           HG2      MET  24   6.267  21.636   3.693
  206    HG3  MET  24           HG3      MET  24   4.940  22.042   4.783
  207    HE1  MET  24           HE1      MET  24   6.724  25.454   4.435
  208    HE2  MET  24           HE2      MET  24   6.238  24.215   3.261
  209    HE3  MET  24           HE3      MET  24   5.150  24.627   4.615
  210    H    LYS  25           H        LYS  25   4.341  19.934   7.363
  211    HA   LYS  25           HA       LYS  25   1.597  19.407   6.353
  212    HB2  LYS  25           HB2      LYS  25   0.901  19.706   8.646
  213    HB3  LYS  25           HB3      LYS  25   2.226  18.551   8.530
  214    HG2  LYS  25           HG2      LYS  25   3.821  20.238   9.344
  215    HG3  LYS  25           HG3      LYS  25   2.530  21.459   9.420
  216    HD2  LYS  25           HD2      LYS  25   1.344  20.128  11.111
  217    HD3  LYS  25           HD3      LYS  25   2.564  18.835  10.981
  218    HE2  LYS  25           HE2      LYS  25   4.326  20.408  11.733
  219    HE3  LYS  25           HE3      LYS  25   3.135  21.714  11.844
  220    HZ1  LYS  25           HZ1      LYS  25   3.072  19.219  13.468
  221    HZ2  LYS  25           HZ2      LYS  25   3.524  20.693  14.012
  222    HZ3  LYS  25           HZ3      LYS  25   1.974  20.428  13.566
  223    H    GLY  26           H        GLY  26   3.657  22.160   6.641
  224    HA2  GLY  26           HA2      GLY  26   1.520  24.180   6.859
  225    HA3  GLY  26           HA3      GLY  26   3.261  24.477   6.680
  226    H    THR  27           H        THR  27   1.207  25.876   5.309
  227    HA   THR  27           HA       THR  27   1.180  24.930   2.499
  228    HB   THR  27           HB       THR  27  -0.336  26.805   2.106
  229    HG1  THR  27           HG1      THR  27  -0.938  28.028   4.010
  230   HG21  THR  27          HG21      THR  27  -1.274  24.687   3.063
  231   HG22  THR  27          HG22      THR  27  -1.158  25.409   4.687
  232   HG23  THR  27          HG23      THR  27  -2.213  26.136   3.461
  233    H    LYS  28           H        LYS  28   1.486  26.819   0.840
  234    HA   LYS  28           HA       LYS  28   4.193  27.767   0.978
  235    HB2  LYS  28           HB2      LYS  28   3.762  28.727  -1.143
  236    HB3  LYS  28           HB3      LYS  28   2.832  27.230  -1.088
  237    HG2  LYS  28           HG2      LYS  28   0.827  28.753  -0.358
  238    HG3  LYS  28           HG3      LYS  28   1.836  30.104  -0.891
  239    HD2  LYS  28           HD2      LYS  28   0.762  27.796  -2.536
  240    HD3  LYS  28           HD3      LYS  28   0.303  29.494  -2.657
  241    HE2  LYS  28           HE2      LYS  28   2.535  30.082  -3.518
  242    HE3  LYS  28           HE3      LYS  28   3.101  28.424  -3.280
  243    HZ1  LYS  28           HZ1      LYS  28   1.392  27.687  -4.871
  244    HZ2  LYS  28           HZ2      LYS  28   0.981  29.252  -5.179
  245    HZ3  LYS  28           HZ3      LYS  28   2.488  28.704  -5.560
  246    H    ASP  29           H        ASP  29   1.189  29.212   2.025
  247    HA   ASP  29           HA       ASP  29   2.330  31.913   2.405
  248    HB2  ASP  29           HB2      ASP  29   0.011  31.552   1.593
  249    HB3  ASP  29           HB3      ASP  29  -0.388  30.712   3.089
  250    H    PHE  30           H        PHE  30   1.473  29.061   4.366
  251    HA   PHE  30           HA       PHE  30   2.585  30.383   6.803
  252    HB2  PHE  30           HB2      PHE  30   0.168  30.062   6.945
  253    HB3  PHE  30           HB3      PHE  30   0.352  28.347   6.609
  254    HD1  PHE  30           HD1      PHE  30   1.492  31.021   9.014
  255    HD2  PHE  30           HD2      PHE  30   0.602  26.836   8.437
  256    HE1  PHE  30           HE1      PHE  30   1.837  30.608  11.439
  257    HE2  PHE  30           HE2      PHE  30   0.949  26.433  10.860
  258    HZ   PHE  30           HZ       PHE  30   1.573  28.313  12.363
  259    HA   PRO  31           HA       PRO  31   5.381  26.768   6.117
  260    HB2  PRO  31           HB2      PRO  31   7.676  28.020   6.940
  261    HB3  PRO  31           HB3      PRO  31   7.081  28.065   5.249
  262    HG2  PRO  31           HG2      PRO  31   6.708  30.155   7.414
  263    HG3  PRO  31           HG3      PRO  31   7.193  30.401   5.707
  264    HD2  PRO  31           HD2      PRO  31   4.640  30.756   6.560
  265    HD3  PRO  31           HD3      PRO  31   4.988  30.084   4.938
  266    H    GLN  32           H        GLN  32   5.883  25.416   7.819
  267    HA   GLN  32           HA       GLN  32   4.604  26.186  10.348
  268    HB2  GLN  32           HB2      GLN  32   4.722  23.716  10.815
  269    HB3  GLN  32           HB3      GLN  32   3.795  24.214   9.417
  270    HG2  GLN  32           HG2      GLN  32   5.056  22.173   8.964
  271    HG3  GLN  32           HG3      GLN  32   5.534  23.464   7.881
  272   HE21  GLN  32          HE22      GLN  32   6.623  21.525  10.741
  273   HE22  GLN  32          HE21      GLN  32   8.307  21.947  10.495
  274    H    CYS  33           H        CYS  33   7.775  26.546   9.477
  275    HA   CYS  33           HA       CYS  33   8.715  26.628  12.237
  276    HB2  CYS  33           HB2      CYS  33   8.843  24.195  11.580
  277    HB3  CYS  33           HB3      CYS  33   9.951  24.624  10.277
  278    HG   CYS  33           HG       CYS  33  11.220  23.515  12.356
  279    H    GLY  34           H        GLY  34  10.973  27.427  12.364
  280    HA2  GLY  34           HA2      GLY  34  11.437  29.710  10.684
  281    HA3  GLY  34           HA3      GLY  34  12.573  29.030  11.867
  282    H    PHE  35           H        PHE  35  12.768  26.399  10.562
  283    HA   PHE  35           HA       PHE  35  14.769  26.995   8.562
  284    HB2  PHE  35           HB2      PHE  35  13.491  24.368   9.444
  285    HB3  PHE  35           HB3      PHE  35  14.868  24.505   8.355
  286    HD1  PHE  35           HD1      PHE  35  16.992  25.710   9.168
  287    HD2  PHE  35           HD2      PHE  35  13.879  24.326  11.818
  288    HE1  PHE  35           HE1      PHE  35  18.581  25.766  11.072
  289    HE2  PHE  35           HE2      PHE  35  15.473  24.387  13.717
  290    HZ   PHE  35           HZ       PHE  35  17.825  25.106  13.351
  291    H    SER  36           H        SER  36  11.436  25.592   8.290
  292    HA   SER  36           HA       SER  36  11.476  25.322   5.418
  293    HB2  SER  36           HB2      SER  36   8.995  25.285   5.669
  294    HB3  SER  36           HB3      SER  36   9.899  24.068   6.594
  295    HG   SER  36           HG       SER  36   8.618  24.810   8.105
  296    H    GLN  37           H        GLN  37  10.243  27.916   7.595
  297    HA   GLN  37           HA       GLN  37   9.508  29.822   5.662
  298    HB2  GLN  37           HB2      GLN  37   9.109  29.988   8.101
  299    HB3  GLN  37           HB3      GLN  37  10.826  30.310   8.366
  300    HG2  GLN  37           HG2      GLN  37  10.647  32.403   7.041
  301    HG3  GLN  37           HG3      GLN  37   8.954  32.048   6.678
  302   HE21  GLN  37          HE22      GLN  37  11.227  32.776   9.412
  303   HE22  GLN  37          HE21      GLN  37   9.964  33.425  10.444
  304    H    THR  38           H        THR  38  12.775  29.356   7.111
  305    HA   THR  38           HA       THR  38  14.128  31.329   5.593
  306    HB   THR  38           HB       THR  38  15.198  28.737   6.784
  307    HG1  THR  38           HG1      THR  38  14.448  30.108   8.324
  308   HG21  THR  38          HG21      THR  38  17.403  29.940   6.727
  309   HG22  THR  38          HG22      THR  38  16.813  29.465   5.138
  310   HG23  THR  38          HG23      THR  38  16.669  31.163   5.661
  311    H    VAL  39           H        VAL  39  13.796  27.788   4.811
  312    HA   VAL  39           HA       VAL  39  15.190  28.232   2.350
  313    HB   VAL  39           HB       VAL  39  14.511  26.069   1.527
  314   HG11  VAL  39          HG11      VAL  39  16.476  26.342   2.960
  315   HG12  VAL  39          HG12      VAL  39  15.484  26.086   4.407
  316   HG13  VAL  39          HG13      VAL  39  15.689  24.777   3.234
  317   HG21  VAL  39          HG21      VAL  39  12.226  25.878   2.497
  318   HG22  VAL  39          HG22      VAL  39  13.256  24.482   2.844
  319   HG23  VAL  39          HG23      VAL  39  12.984  25.699   4.097
  320    H    VAL  40           H        VAL  40  11.583  28.303   2.932
  321    HA   VAL  40           HA       VAL  40  11.092  28.638   0.121
  322    HB   VAL  40           HB       VAL  40   8.914  29.401   0.642
  323   HG11  VAL  40          HG11      VAL  40   9.653  27.023   2.374
  324   HG12  VAL  40          HG12      VAL  40   8.039  27.405   1.760
  325   HG13  VAL  40          HG13      VAL  40   9.338  27.008   0.626
  326   HG21  VAL  40          HG21      VAL  40   7.966  29.582   2.884
  327   HG22  VAL  40          HG22      VAL  40   9.580  29.392   3.577
  328   HG23  VAL  40          HG23      VAL  40   9.194  30.822   2.598
  329    H    GLN  41           H        GLN  41  11.865  31.023   2.689
  330    HA   GLN  41           HA       GLN  41  11.542  33.349   1.023
  331    HB2  GLN  41           HB2      GLN  41  11.695  33.395   3.492
  332    HB3  GLN  41           HB3      GLN  41  13.380  32.853   3.412
  333    HG2  GLN  41           HG2      GLN  41  13.997  34.926   2.207
  334    HG3  GLN  41           HG3      GLN  41  12.308  35.445   2.209
  335   HE21  GLN  41          HE22      GLN  41  13.896  37.307   3.228
  336   HE22  GLN  41          HE21      GLN  41  13.874  37.299   4.984
  337    H    ILE  42           H        ILE  42  14.407  31.244   1.664
  338    HA   ILE  42           HA       ILE  42  16.267  32.601  -0.019
  339    HB   ILE  42           HB       ILE  42  15.989  29.765   0.989
  340   HG12  ILE  42          HG12      ILE  42  18.123  31.898   1.442
  341   HG13  ILE  42          HG13      ILE  42  16.726  31.651   2.479
  342   HG21  ILE  42          HG21      ILE  42  18.232  30.655  -0.851
  343   HG22  ILE  42          HG22      ILE  42  18.188  29.128   0.073
  344   HG23  ILE  42          HG23      ILE  42  17.025  29.400  -1.197
  345   HD11  ILE  42          HD11      ILE  42  18.579  30.575   3.526
  346   HD12  ILE  42          HD12      ILE  42  17.529  29.282   2.895
  347   HD13  ILE  42          HD13      ILE  42  19.033  29.716   2.050
  348    H    LEU  43           H        LEU  43  14.118  29.864  -0.916
  349    HA   LEU  43           HA       LEU  43  14.986  29.699  -3.634
  350    HB2  LEU  43           HB2      LEU  43  12.407  28.902  -2.202
  351    HB3  LEU  43           HB3      LEU  43  12.725  28.474  -3.879
  352    HG   LEU  43           HG       LEU  43  14.718  27.719  -1.712
  353   HD11  LEU  43          HD11      LEU  43  12.328  26.024  -2.525
  354   HD12  LEU  43          HD12      LEU  43  13.629  25.579  -1.415
  355   HD13  LEU  43          HD13      LEU  43  12.496  26.863  -0.978
  356   HD21  LEU  43          HD21      LEU  43  15.445  27.465  -4.062
  357   HD22  LEU  43          HD22      LEU  43  15.250  25.889  -3.278
  358   HD23  LEU  43          HD23      LEU  43  14.013  26.468  -4.406
  359    H    LYS  44           H        LYS  44  12.102  31.350  -2.247
  360    HA   LYS  44           HA       LYS  44  11.198  32.493  -4.663
  361    HB2  LYS  44           HB2      LYS  44   9.912  32.375  -2.566
  362    HB3  LYS  44           HB3      LYS  44  10.941  33.632  -1.853
  363    HG2  LYS  44           HG2      LYS  44  10.187  35.259  -3.539
  364    HG3  LYS  44           HG3      LYS  44   9.369  33.991  -4.456
  365    HD2  LYS  44           HD2      LYS  44   7.745  35.312  -3.261
  366    HD3  LYS  44           HD3      LYS  44   7.752  33.660  -2.626
  367    HE2  LYS  44           HE2      LYS  44   9.111  34.399  -0.685
  368    HE3  LYS  44           HE3      LYS  44   9.222  36.030  -1.366
  369    HZ1  LYS  44           HZ1      LYS  44   7.491  35.901   0.323
  370    HZ2  LYS  44           HZ2      LYS  44   6.821  36.245  -1.124
  371    HZ3  LYS  44           HZ3      LYS  44   6.690  34.735  -0.498
  372    H    SER  45           H        SER  45  13.415  33.921  -2.241
  373    HA   SER  45           HA       SER  45  13.840  36.397  -3.605
  374    HB2  SER  45           HB2      SER  45  15.679  35.064  -1.583
  375    HB3  SER  45           HB3      SER  45  15.623  36.775  -2.012
  376    HG   SER  45           HG       SER  45  13.807  35.215  -0.538
  377    H    LEU  46           H        LEU  46  15.677  33.318  -3.751
  378    HA   LEU  46           HA       LEU  46  17.864  34.182  -5.340
  379    HB2  LEU  46           HB2      LEU  46  17.777  32.062  -4.172
  380    HB3  LEU  46           HB3      LEU  46  16.344  31.565  -5.063
  381    HG   LEU  46           HG       LEU  46  17.607  31.293  -7.108
  382   HD11  LEU  46          HD11      LEU  46  20.039  32.204  -5.500
  383   HD12  LEU  46          HD12      LEU  46  20.091  31.472  -7.120
  384   HD13  LEU  46          HD13      LEU  46  19.337  33.048  -6.888
  385   HD21  LEU  46          HD21      LEU  46  17.465  29.491  -5.360
  386   HD22  LEU  46          HD22      LEU  46  18.896  29.349  -6.391
  387   HD23  LEU  46          HD23      LEU  46  19.050  30.000  -4.749
  388    H    ASN  47           H        ASN  47  14.572  33.324  -6.136
  389    HA   ASN  47           HA       ASN  47  13.382  34.733  -7.629
  390    HB2  ASN  47           HB2      ASN  47  15.307  35.813  -8.712
  391    HB3  ASN  47           HB3      ASN  47  15.544  34.367  -9.712
  392   HD21  ASN  47          HD22      ASN  47  15.277  36.039 -11.467
  393   HD22  ASN  47          HD21      ASN  47  13.639  36.387 -11.994
  394    H    ALA  48           H        ALA  48  12.248  32.807  -6.957
  395    HA   ALA  48           HA       ALA  48  11.624  31.153  -9.339
  396    HB1  ALA  48           HB1      ALA  48  11.968  29.018  -8.115
  397    HB2  ALA  48           HB2      ALA  48  13.483  29.922  -8.313
  398    HB3  ALA  48           HB3      ALA  48  12.641  29.914  -6.745
  399    HA   PRO  49           HA       PRO  49   7.579  31.006  -7.262
  400    HB2  PRO  49           HB2      PRO  49   6.211  29.485  -9.038
  401    HB3  PRO  49           HB3      PRO  49   6.700  31.160  -9.447
  402    HG2  PRO  49           HG2      PRO  49   8.105  28.574 -10.202
  403    HG3  PRO  49           HG3      PRO  49   7.685  29.956 -11.262
  404    HD2  PRO  49           HD2      PRO  49  10.164  29.646 -10.136
  405    HD3  PRO  49           HD3      PRO  49   9.452  31.257 -10.434
  406    H    PHE  50           H        PHE  50   6.368  29.262  -6.153
  407    HA   PHE  50           HA       PHE  50   7.435  26.556  -6.228
  408    HB2  PHE  50           HB2      PHE  50   8.335  26.432  -4.042
  409    HB3  PHE  50           HB3      PHE  50   9.039  27.875  -4.754
  410    HD1  PHE  50           HD1      PHE  50   8.325  30.140  -4.034
  411    HD2  PHE  50           HD2      PHE  50   6.904  26.564  -2.085
  412    HE1  PHE  50           HE1      PHE  50   7.588  31.486  -2.086
  413    HE2  PHE  50           HE2      PHE  50   6.171  27.912  -0.146
  414    HZ   PHE  50           HZ       PHE  50   6.479  30.382  -0.149
  415    H    GLU  51           H        GLU  51   6.409  25.153  -4.462
  416    HA   GLU  51           HA       GLU  51   3.767  26.042  -3.543
  417    HB2  GLU  51           HB2      GLU  51   3.439  25.122  -5.846
  418    HB3  GLU  51           HB3      GLU  51   4.152  23.595  -5.335
  419    HG2  GLU  51           HG2      GLU  51   1.657  23.577  -5.441
  420    HG3  GLU  51           HG3      GLU  51   2.276  23.170  -3.842
  421    H    SER  52           H        SER  52   2.858  24.566  -1.924
  422    HA   SER  52           HA       SER  52   4.881  22.700  -0.718
  423    HB2  SER  52           HB2      SER  52   4.614  24.751   0.690
  424    HB3  SER  52           HB3      SER  52   2.891  24.341   0.859
  425    HG   SER  52           HG       SER  52   3.721  23.249   2.538
  426    H    VAL  53           H        VAL  53   4.182  20.680  -0.485
  427    HA   VAL  53           HA       VAL  53   1.279  20.021  -0.884
  428    HB   VAL  53           HB       VAL  53   3.784  18.347  -1.096
  429   HG11  VAL  53          HG11      VAL  53   2.061  16.914  -0.077
  430   HG12  VAL  53          HG12      VAL  53   0.885  17.430  -1.304
  431   HG13  VAL  53          HG13      VAL  53   2.300  16.453  -1.765
  432   HG21  VAL  53          HG21      VAL  53   3.344  19.738  -3.063
  433   HG22  VAL  53          HG22      VAL  53   3.066  18.035  -3.441
  434   HG23  VAL  53          HG23      VAL  53   1.679  19.108  -3.156
  435    H    ASN  54           H        ASN  54   0.133  19.694   0.842
  436    HA   ASN  54           HA       ASN  54   1.231  19.444   3.506
  437    HB2  ASN  54           HB2      ASN  54  -0.820  20.687   3.082
  438    HB3  ASN  54           HB3      ASN  54  -1.613  19.233   2.478
  439   HD21  ASN  54          HD22      ASN  54  -3.095  20.208   4.347
  440   HD22  ASN  54          HD21      ASN  54  -2.812  19.485   5.925
  441    H    ILE  55           H        ILE  55   2.482  17.543   3.552
  442    HA   ILE  55           HA       ILE  55   1.442  14.988   2.608
  443    HB   ILE  55           HB       ILE  55   3.379  13.960   3.712
  444   HG12  ILE  55          HG12      ILE  55   4.751  16.511   4.349
  445   HG13  ILE  55          HG13      ILE  55   3.422  16.150   5.445
  446   HG21  ILE  55          HG21      ILE  55   4.111  16.392   2.032
  447   HG22  ILE  55          HG22      ILE  55   5.069  14.906   2.254
  448   HG23  ILE  55          HG23      ILE  55   3.511  14.840   1.413
  449   HD11  ILE  55          HD11      ILE  55   4.376  13.955   5.960
  450   HD12  ILE  55          HD12      ILE  55   5.710  14.255   4.817
  451   HD13  ILE  55          HD13      ILE  55   5.543  15.252   6.282
  452    H    LEU  56           H        LEU  56   0.880  16.658   5.562
  453    HA   LEU  56           HA       LEU  56   0.064  14.237   7.032
  454    HB2  LEU  56           HB2      LEU  56   0.397  17.176   7.602
  455    HB3  LEU  56           HB3      LEU  56  -0.789  16.325   8.564
  456    HG   LEU  56           HG       LEU  56   1.373  16.490   9.682
  457   HD11  LEU  56          HD11      LEU  56   0.667  13.605   9.030
  458   HD12  LEU  56          HD12      LEU  56   1.538  14.190  10.456
  459   HD13  LEU  56          HD13      LEU  56  -0.160  14.634  10.222
  460   HD21  LEU  56          HD21      LEU  56   2.485  14.629   7.543
  461   HD22  LEU  56          HD22      LEU  56   2.871  16.356   7.714
  462   HD23  LEU  56          HD23      LEU  56   3.325  15.214   8.986
  463    H    GLU  57           H        GLU  57  -1.401  15.934   4.551
  464    HA   GLU  57           HA       GLU  57  -4.087  16.151   5.453
  465    HB2  GLU  57           HB2      GLU  57  -3.084  17.200   3.426
  466    HB3  GLU  57           HB3      GLU  57  -3.091  15.621   2.622
  467    HG2  GLU  57           HG2      GLU  57  -5.552  15.551   2.768
  468    HG3  GLU  57           HG3      GLU  57  -5.560  17.049   3.713
  469    H    ASN  58           H        ASN  58  -2.270  13.327   4.346
  470    HA   ASN  58           HA       ASN  58  -4.244  11.545   5.425
  471    HB2  ASN  58           HB2      ASN  58  -4.750  10.238   3.420
  472    HB3  ASN  58           HB3      ASN  58  -5.330  11.884   3.258
  473   HD21  ASN  58          HD22      ASN  58  -4.873  12.843   1.284
  474   HD22  ASN  58          HD21      ASN  58  -3.567  12.333   0.229
  475    H    GLU  59           H        GLU  59  -3.531   9.239   5.379
  476    HA   GLU  59           HA       GLU  59  -0.785   9.156   6.183
  477    HB2  GLU  59           HB2      GLU  59  -2.656   6.814   5.657
  478    HB3  GLU  59           HB3      GLU  59  -1.125   6.771   6.540
  479    HG2  GLU  59           HG2      GLU  59  -2.148   8.568   8.089
  480    HG3  GLU  59           HG3      GLU  59  -3.700   8.167   7.355
  481    H    LEU  60           H        LEU  60  -2.298   8.257   3.074
  482    HA   LEU  60           HA       LEU  60  -0.128   6.713   2.057
  483    HB2  LEU  60           HB2      LEU  60  -2.312   8.335   0.673
  484    HB3  LEU  60           HB3      LEU  60  -1.117   7.408  -0.201
  485    HG   LEU  60           HG       LEU  60  -3.183   6.216  -0.108
  486   HD11  LEU  60          HD11      LEU  60  -1.058   4.931  -0.131
  487   HD12  LEU  60          HD12      LEU  60  -1.132   4.788   1.639
  488   HD13  LEU  60          HD13      LEU  60  -2.380   4.042   0.634
  489   HD21  LEU  60          HD21      LEU  60  -4.067   7.081   2.061
  490   HD22  LEU  60          HD22      LEU  60  -4.223   5.328   1.859
  491   HD23  LEU  60          HD23      LEU  60  -2.959   5.974   2.916
  492    H    LEU  61           H        LEU  61  -0.734  10.245   1.905
  493    HA   LEU  61           HA       LEU  61   1.750  10.840   0.512
  494    HB2  LEU  61           HB2      LEU  61  -0.012  12.505   2.365
  495    HB3  LEU  61           HB3      LEU  61   1.388  13.138   1.497
  496    HG   LEU  61           HG       LEU  61  -1.016  11.939   0.084
  497   HD11  LEU  61          HD11      LEU  61  -1.654  13.941   1.424
  498   HD12  LEU  61          HD12      LEU  61  -0.364  14.870   0.637
  499   HD13  LEU  61          HD13      LEU  61  -1.733  14.263  -0.317
  500   HD21  LEU  61          HD21      LEU  61   1.225  13.746  -0.927
  501   HD22  LEU  61          HD22      LEU  61   1.082  12.003  -1.272
  502   HD23  LEU  61          HD23      LEU  61  -0.141  13.128  -1.878
  503    H    ARG  62           H        ARG  62   0.889  10.949   4.008
  504    HA   ARG  62           HA       ARG  62   3.345  11.749   5.003
  505    HB2  ARG  62           HB2      ARG  62   1.138  11.472   6.240
  506    HB3  ARG  62           HB3      ARG  62   1.511   9.751   6.374
  507    HG2  ARG  62           HG2      ARG  62   3.682  10.433   7.560
  508    HG3  ARG  62           HG3      ARG  62   3.091  12.099   7.518
  509    HD2  ARG  62           HD2      ARG  62   2.579  11.170   9.685
  510    HD3  ARG  62           HD3      ARG  62   1.059  11.337   8.787
  511    HE   ARG  62           HE       ARG  62   2.502   8.726   8.713
  512   HH11  ARG  62          HH11      ARG  62  -0.307  10.436  10.090
  513   HH12  ARG  62          HH12      ARG  62  -1.161   8.936  10.321
  514   HH21  ARG  62          HH21      ARG  62   1.367   6.926   9.075
  515   HH22  ARG  62          HH22      ARG  62  -0.300   6.996   9.643
  516    H    GLN  63           H        GLN  63   2.339   8.333   4.431
  517    HA   GLN  63           HA       GLN  63   4.990   7.285   5.225
  518    HB2  GLN  63           HB2      GLN  63   2.631   5.883   3.896
  519    HB3  GLN  63           HB3      GLN  63   4.034   5.114   4.628
  520    HG2  GLN  63           HG2      GLN  63   1.784   6.585   6.051
  521    HG3  GLN  63           HG3      GLN  63   2.192   4.879   6.141
  522   HE21  GLN  63          HE22      GLN  63   4.716   4.580   6.949
  523   HE22  GLN  63          HE21      GLN  63   5.048   5.570   8.365
  524    H    GLY  64           H        GLY  64   3.452   8.274   2.201
  525    HA2  GLY  64           HA2      GLY  64   5.121   6.593   0.521
  526    HA3  GLY  64           HA3      GLY  64   3.902   7.793   0.020
  527    H    LEU  65           H        LEU  65   5.063  10.156   1.195
  528    HA   LEU  65           HA       LEU  65   6.619  10.779  -1.070
  529    HB2  LEU  65           HB2      LEU  65   5.835  12.245   1.424
  530    HB3  LEU  65           HB3      LEU  65   7.251  12.860   0.598
  531    HG   LEU  65           HG       LEU  65   5.340  14.073  -0.137
  532   HD11  LEU  65          HD11      LEU  65   5.561  13.926  -2.527
  533   HD12  LEU  65          HD12      LEU  65   7.149  13.598  -1.806
  534   HD13  LEU  65          HD13      LEU  65   6.153  12.274  -2.459
  535   HD21  LEU  65          HD21      LEU  65   3.562  12.464   0.246
  536   HD22  LEU  65          HD22      LEU  65   3.493  13.068  -1.412
  537   HD23  LEU  65          HD23      LEU  65   4.137  11.447  -1.098
  538    H    LYS  66           H        LYS  66   7.816   9.835   2.119
  539    HA   LYS  66           HA       LYS  66  10.567  10.407   1.637
  540    HB2  LYS  66           HB2      LYS  66  11.015   8.790   3.423
  541    HB3  LYS  66           HB3      LYS  66   9.745   9.937   3.845
  542    HG2  LYS  66           HG2      LYS  66   8.045   8.145   3.258
  543    HG3  LYS  66           HG3      LYS  66   9.379   7.007   3.060
  544    HD2  LYS  66           HD2      LYS  66   8.686   8.560   5.590
  545    HD3  LYS  66           HD3      LYS  66   8.242   6.887   5.293
  546    HE2  LYS  66           HE2      LYS  66  11.129   7.894   5.456
  547    HE3  LYS  66           HE3      LYS  66  10.219   7.243   6.814
  548    HZ1  LYS  66           HZ1      LYS  66   9.991   5.139   5.605
  549    HZ2  LYS  66           HZ2      LYS  66  10.884   5.711   4.354
  550    HZ3  LYS  66           HZ3      LYS  66  11.566   5.516   5.825
  551    H    GLU  67           H        GLU  67   8.617   7.718   0.432
  552    HA   GLU  67           HA       GLU  67  10.969   6.277  -0.639
  553    HB2  GLU  67           HB2      GLU  67   7.987   5.743  -0.978
  554    HB3  GLU  67           HB3      GLU  67   9.306   4.748  -1.601
  555    HG2  GLU  67           HG2      GLU  67  10.123   4.500   0.805
  556    HG3  GLU  67           HG3      GLU  67   8.607   5.245   1.320
  557    H    TYR  68           H        TYR  68   8.338   8.411  -1.802
  558    HA   TYR  68           HA       TYR  68   8.849   8.264  -4.593
  559    HB2  TYR  68           HB2      TYR  68   6.846   9.263  -3.568
  560    HB3  TYR  68           HB3      TYR  68   7.829  10.542  -2.871
  561    HD1  TYR  68           HD1      TYR  68   6.478   9.199  -6.056
  562    HD2  TYR  68           HD2      TYR  68   8.506  12.475  -4.122
  563    HE1  TYR  68           HE1      TYR  68   6.086  10.623  -8.060
  564    HE2  TYR  68           HE2      TYR  68   8.111  13.904  -6.112
  565    HH   TYR  68           HH       TYR  68   7.204  14.017  -8.222
  566    H    SER  69           H        SER  69  10.315  10.439  -2.106
  567    HA   SER  69           HA       SER  69  12.226  11.556  -4.053
  568    HB2  SER  69           HB2      SER  69  13.090  12.763  -2.087
  569    HB3  SER  69           HB3      SER  69  11.352  12.994  -2.327
  570    HG   SER  69           HG       SER  69  11.731  12.664  -0.200
  571    H    SER  70           H        SER  70  12.686   9.910  -0.983
  572    HA   SER  70           HA       SER  70  14.072   7.783  -0.855
  573    HB2  SER  70           HB2      SER  70  16.190   9.671  -1.952
  574    HB3  SER  70           HB3      SER  70  16.517   8.121  -1.167
  575    HG   SER  70           HG       SER  70  15.019   8.592  -3.502
  576    H    TRP  71           H        TRP  71  14.122  11.169   0.022
  577    HA   TRP  71           HA       TRP  71  15.886  10.829   2.313
  578    HB2  TRP  71           HB2      TRP  71  15.847  12.838   0.904
  579    HB3  TRP  71           HB3      TRP  71  14.212  13.189   1.415
  580    HD1  TRP  71           HD1      TRP  71  13.960  14.564   3.583
  581    HE1  TRP  71           HE1      TRP  71  15.532  15.587   5.307
  582    HE3  TRP  71           HE3      TRP  71  18.303  12.234   2.180
  583    HZ2  TRP  71           HZ2      TRP  71  18.295  15.385   6.041
  584    HZ3  TRP  71           HZ3      TRP  71  20.403  12.668   3.433
  585    HH2  TRP  71           HH2      TRP  71  20.416  14.232   5.364
  586    HA   PRO  72           HA       PRO  72  12.508   9.551   4.870
  587    HB2  PRO  72           HB2      PRO  72  13.736   9.182   7.266
  588    HB3  PRO  72           HB3      PRO  72  14.156   8.216   5.817
  589    HG2  PRO  72           HG2      PRO  72  15.571  10.688   6.878
  590    HG3  PRO  72           HG3      PRO  72  16.299   9.112   6.429
  591    HD2  PRO  72           HD2      PRO  72  16.230  11.226   4.702
  592    HD3  PRO  72           HD3      PRO  72  16.044   9.535   4.133
  593    H    THR  73           H        THR  73  14.186  12.531   5.823
  594    HA   THR  73           HA       THR  73  12.294  13.083   8.018
  595    HB   THR  73           HB       THR  73  14.717  14.662   7.074
  596    HG1  THR  73           HG1      THR  73  14.492  12.658   9.065
  597   HG21  THR  73          HG21      THR  73  14.786  15.378   9.488
  598   HG22  THR  73          HG22      THR  73  13.399  16.006   8.596
  599   HG23  THR  73          HG23      THR  73  13.183  14.638   9.707
  600    H    PHE  74           H        PHE  74  11.098  14.978   8.231
  601    HA   PHE  74           HA       PHE  74  10.784  16.738   5.861
  602    HB2  PHE  74           HB2      PHE  74   8.550  15.708   7.639
  603    HB3  PHE  74           HB3      PHE  74   8.366  16.921   6.381
  604    HD1  PHE  74           HD2      PHE  74   8.736  16.306   3.966
  605    HD2  PHE  74           HD1      PHE  74   8.602  13.344   7.090
  606    HE1  PHE  74           HE2      PHE  74   8.370  14.528   2.267
  607    HE2  PHE  74           HE1      PHE  74   8.243  11.567   5.394
  608    HZ   PHE  74           HZ       PHE  74   8.121  12.164   2.982
  609    HA   PRO  75           HA       PRO  75   9.339  19.031   5.743
  610    HB2  PRO  75           HB2      PRO  75  11.226  21.352   6.120
  611    HB3  PRO  75           HB3      PRO  75   9.537  21.370   5.533
  612    HG2  PRO  75           HG2      PRO  75  10.094  22.095   8.077
  613    HG3  PRO  75           HG3      PRO  75   8.705  20.990   7.762
  614    HD2  PRO  75           HD2      PRO  75  11.519  20.272   8.638
  615    HD3  PRO  75           HD3      PRO  75   9.954  19.726   9.322
  616    H    GLN  76           H        GLN  76  10.100  19.269   3.567
  617    HA   GLN  76           HA       GLN  76  12.939  18.600   3.008
  618    HB2  GLN  76           HB2      GLN  76  11.761  16.529   3.616
  619    HB3  GLN  76           HB3      GLN  76  10.519  16.850   2.408
  620    HG2  GLN  76           HG2      GLN  76  12.276  16.617   0.622
  621    HG3  GLN  76           HG3      GLN  76  13.429  16.149   1.877
  622   HE21  GLN  76          HE22      GLN  76  11.787  14.412   3.530
  623   HE22  GLN  76          HE21      GLN  76  11.414  13.038   2.512
  624    H    LEU  77           H        LEU  77  13.585  19.069   0.939
  625    HA   LEU  77           HA       LEU  77  11.673  20.610  -0.758
  626    HB2  LEU  77           HB2      LEU  77  13.473  21.912   0.294
  627    HB3  LEU  77           HB3      LEU  77  14.682  20.811  -0.335
  628    HG   LEU  77           HG       LEU  77  14.103  21.562  -2.682
  629   HD11  LEU  77          HD11      LEU  77  12.320  23.564  -1.248
  630   HD12  LEU  77          HD12      LEU  77  12.765  23.604  -2.964
  631   HD13  LEU  77          HD13      LEU  77  11.773  22.286  -2.348
  632   HD21  LEU  77          HD21      LEU  77  14.859  23.731  -0.713
  633   HD22  LEU  77          HD22      LEU  77  15.960  22.549  -1.463
  634   HD23  LEU  77          HD23      LEU  77  15.159  23.760  -2.462
  635    H    TYR  78           H        TYR  78  11.585  20.308  -2.901
  636    HA   TYR  78           HA       TYR  78  13.201  18.272  -4.319
  637    HB2  TYR  78           HB2      TYR  78  11.159  17.272  -3.194
  638    HB3  TYR  78           HB3      TYR  78  10.154  18.322  -4.169
  639    HD1  TYR  78           HD2      TYR  78  10.272  18.019  -6.779
  640    HD2  TYR  78           HD1      TYR  78  11.770  15.159  -3.915
  641    HE1  TYR  78           HE2      TYR  78  10.102  16.217  -8.481
  642    HE2  TYR  78           HE1      TYR  78  11.612  13.360  -5.622
  643    HH   TYR  78           HH       TYR  78  10.359  13.947  -8.918
  644    H    ILE  79           H        ILE  79  13.461  18.798  -6.531
  645    HA   ILE  79           HA       ILE  79  11.917  21.084  -7.607
  646    HB   ILE  79           HB       ILE  79  14.944  21.174  -7.691
  647   HG12  ILE  79          HG12      ILE  79  13.125  22.692  -5.770
  648   HG13  ILE  79          HG13      ILE  79  14.324  21.469  -5.337
  649   HG21  ILE  79          HG21      ILE  79  13.677  22.306  -9.513
  650   HG22  ILE  79          HG22      ILE  79  12.740  23.212  -8.314
  651   HG23  ILE  79          HG23      ILE  79  14.493  23.488  -8.510
  652   HD11  ILE  79          HD11      ILE  79  14.893  24.240  -6.424
  653   HD12  ILE  79          HD12      ILE  79  15.275  23.585  -4.831
  654   HD13  ILE  79          HD13      ILE  79  16.125  22.963  -6.256
  655    H    ASP  80           H        ASP  80  11.258  20.651  -9.549
  656    HA   ASP  80           HA       ASP  80  10.996  19.760 -11.615
  657    HB2  ASP  80           HB2      ASP  80  12.575  21.673 -11.754
  658    HB3  ASP  80           HB3      ASP  80  13.923  20.538 -11.798
  659    H    GLY  81           H        GLY  81  11.522  17.619  -9.814
  660    HA2  GLY  81           HA2      GLY  81  11.324  15.308 -10.399
  661    HA3  GLY  81           HA3      GLY  81  12.413  15.548 -11.772
  662    H    GLU  82           H        GLU  82  13.910  17.103  -9.219
  663    HA   GLU  82           HA       GLU  82  15.263  14.610  -8.216
  664    HB2  GLU  82           HB2      GLU  82  16.437  17.403  -8.587
  665    HB3  GLU  82           HB3      GLU  82  17.242  16.036  -7.814
  666    HG2  GLU  82           HG2      GLU  82  16.979  14.746  -9.983
  667    HG3  GLU  82           HG3      GLU  82  16.411  16.237 -10.735
  668    H    PHE  83           H        PHE  83  15.497  14.387  -5.983
  669    HA   PHE  83           HA       PHE  83  14.116  16.379  -4.300
  670    HB2  PHE  83           HB2      PHE  83  14.022  14.860  -2.634
  671    HB3  PHE  83           HB3      PHE  83  13.864  13.840  -4.054
  672    HD1  PHE  83           HD1      PHE  83  15.803  12.370  -4.767
  673    HD2  PHE  83           HD2      PHE  83  15.867  14.692  -1.132
  674    HE1  PHE  83           HE1      PHE  83  17.739  11.050  -3.950
  675    HE2  PHE  83           HE2      PHE  83  17.801  13.387  -0.321
  676    HZ   PHE  83           HZ       PHE  83  18.758  11.563  -1.746
  677    H    PHE  84           H        PHE  84  15.115  17.638  -2.745
  678    HA   PHE  84           HA       PHE  84  18.035  18.066  -3.122
  679    HB2  PHE  84           HB2      PHE  84  16.026  19.853  -3.297
  680    HB3  PHE  84           HB3      PHE  84  16.313  19.947  -1.560
  681    HD1  PHE  84           HD1      PHE  84  18.611  20.636  -0.718
  682    HD2  PHE  84           HD2      PHE  84  17.573  20.714  -4.905
  683    HE1  PHE  84           HE1      PHE  84  20.646  21.956  -1.202
  684    HE2  PHE  84           HE2      PHE  84  19.585  22.078  -5.374
  685    HZ   PHE  84           HZ       PHE  84  21.142  22.681  -3.535
  686    H    GLY  85           H        GLY  85  15.626  17.269  -0.655
  687    HA2  GLY  85           HA2      GLY  85  16.259  15.795   1.207
  688    HA3  GLY  85           HA3      GLY  85  17.814  16.640   1.313
  689    H    GLY  86           H        GLY  86  17.502  17.141   3.492
  690    HA2  GLY  86           HA2      GLY  86  15.165  18.624   4.466
  691    HA3  GLY  86           HA3      GLY  86  16.636  18.222   5.375
  692    H    CYS  87           H        CYS  87  15.333  20.678   5.579
  693    HA   CYS  87           HA       CYS  87  16.108  22.747   3.900
  694    HB2  CYS  87           HB2      CYS  87  15.644  22.771   6.927
  695    HB3  CYS  87           HB3      CYS  87  15.638  24.215   5.893
  696    HG   CYS  87           HG       CYS  87  13.146  23.421   6.541
  697    H    ASP  88           H        ASP  88  18.058  21.444   6.580
  698    HA   ASP  88           HA       ASP  88  20.099  23.414   6.620
  699    HB2  ASP  88           HB2      ASP  88  19.779  21.636   8.308
  700    HB3  ASP  88           HB3      ASP  88  20.291  20.419   7.137
  701    H    ILE  89           H        ILE  89  19.712  20.571   4.490
  702    HA   ILE  89           HA       ILE  89  22.271  20.845   3.129
  703    HB   ILE  89           HB       ILE  89  19.690  19.500   2.206
  704   HG12  ILE  89          HG12      ILE  89  22.211  18.358   3.510
  705   HG13  ILE  89          HG13      ILE  89  20.659  18.561   4.314
  706   HG21  ILE  89          HG21      ILE  89  21.159  20.049   0.293
  707   HG22  ILE  89          HG22      ILE  89  22.523  19.247   1.101
  708   HG23  ILE  89          HG23      ILE  89  21.101  18.319   0.569
  709   HD11  ILE  89          HD11      ILE  89  20.903  16.271   3.735
  710   HD12  ILE  89          HD12      ILE  89  19.625  16.958   2.715
  711   HD13  ILE  89          HD13      ILE  89  21.248  16.639   2.044
  712    H    THR  90           H        THR  90  18.978  22.102   2.448
  713    HA   THR  90           HA       THR  90  19.606  23.549   0.071
  714    HB   THR  90           HB       THR  90  17.590  24.336   2.188
  715    HG1  THR  90           HG1      THR  90  16.218  22.929   1.001
  716   HG21  THR  90          HG21      THR  90  17.879  26.005   0.383
  717   HG22  THR  90          HG22      THR  90  17.632  24.723  -0.834
  718   HG23  THR  90          HG23      THR  90  16.316  25.207   0.257
  719    H    VAL  91           H        VAL  91  19.622  24.615   3.487
  720    HA   VAL  91           HA       VAL  91  20.473  27.285   2.960
  721    HB   VAL  91           HB       VAL  91  20.716  25.534   5.419
  722   HG11  VAL  91          HG11      VAL  91  21.458  28.488   5.187
  723   HG12  VAL  91          HG12      VAL  91  21.210  27.619   6.716
  724   HG13  VAL  91          HG13      VAL  91  22.534  27.146   5.656
  725   HG21  VAL  91          HG21      VAL  91  18.911  26.980   6.263
  726   HG22  VAL  91          HG22      VAL  91  18.977  27.974   4.797
  727   HG23  VAL  91          HG23      VAL  91  18.425  26.295   4.708
  728    H    GLU  92           H        GLU  92  22.503  24.355   3.668
  729    HA   GLU  92           HA       GLU  92  24.988  25.811   3.471
  730    HB2  GLU  92           HB2      GLU  92  24.337  22.856   3.257
  731    HB3  GLU  92           HB3      GLU  92  25.975  23.502   3.234
  732    HG2  GLU  92           HG2      GLU  92  23.999  23.820   5.536
  733    HG3  GLU  92           HG3      GLU  92  25.328  22.672   5.472
  734    H    ALA  93           H        ALA  93  23.062  24.004   1.017
  735    HA   ALA  93           HA       ALA  93  24.954  24.320  -1.118
  736    HB1  ALA  93           HB1      ALA  93  23.022  23.708  -2.526
  737    HB2  ALA  93           HB2      ALA  93  23.139  22.653  -1.108
  738    HB3  ALA  93           HB3      ALA  93  21.932  23.961  -1.151
  739    H    TYR  94           H        TYR  94  22.441  26.505   0.146
  740    HA   TYR  94           HA       TYR  94  22.687  28.450  -1.980
  741    HB2  TYR  94           HB2      TYR  94  20.739  28.232  -0.449
  742    HB3  TYR  94           HB3      TYR  94  21.742  28.758   0.889
  743    HD1  TYR  94           HD2      TYR  94  20.927  29.925  -2.621
  744    HD2  TYR  94           HD1      TYR  94  21.429  30.975   1.538
  745    HE1  TYR  94           HE2      TYR  94  20.290  32.267  -3.138
  746    HE2  TYR  94           HE1      TYR  94  20.780  33.324   1.019
  747    HH   TYR  94           HH       TYR  94  19.935  34.374  -2.305
  748    H    LYS  95           H        LYS  95  24.452  27.948   1.079
  749    HA   LYS  95           HA       LYS  95  26.048  30.379   0.905
  750    HB2  LYS  95           HB2      LYS  95  26.503  27.744   2.354
  751    HB3  LYS  95           HB3      LYS  95  27.550  29.150   2.507
  752    HG2  LYS  95           HG2      LYS  95  25.782  30.485   3.497
  753    HG3  LYS  95           HG3      LYS  95  24.589  29.208   3.209
  754    HD2  LYS  95           HD2      LYS  95  25.971  27.663   4.630
  755    HD3  LYS  95           HD3      LYS  95  27.030  29.021   5.028
  756    HE2  LYS  95           HE2      LYS  95  25.138  30.218   6.071
  757    HE3  LYS  95           HE3      LYS  95  24.021  28.945   5.558
  758    HZ1  LYS  95           HZ1      LYS  95  24.661  28.579   7.846
  759    HZ2  LYS  95           HZ2      LYS  95  25.321  27.373   6.932
  760    HZ3  LYS  95           HZ3      LYS  95  26.255  28.603   7.484
  761    H    SER  96           H        SER  96  26.653  26.992  -0.301
  762    HA   SER  96           HA       SER  96  29.289  27.734  -1.337
  763    HB2  SER  96           HB2      SER  96  29.222  25.437  -2.245
  764    HB3  SER  96           HB3      SER  96  28.855  25.488  -0.513
  765    HG   SER  96           HG       SER  96  27.443  24.148  -1.876
  766    H    GLY  97           H        GLY  97  26.048  27.970  -2.551
  767    HA2  GLY  97           HA2      GLY  97  25.419  29.168  -4.489
  768    HA3  GLY  97           HA3      GLY  97  27.014  28.869  -5.228
  769    H    GLU  98           H        GLU  98  25.974  25.993  -3.907
  770    HA   GLU  98           HA       GLU  98  25.656  24.721  -6.473
  771    HB2  GLU  98           HB2      GLU  98  25.148  23.739  -3.633
  772    HB3  GLU  98           HB3      GLU  98  25.160  22.710  -5.073
  773    HG2  GLU  98           HG2      GLU  98  27.515  23.269  -5.499
  774    HG3  GLU  98           HG3      GLU  98  27.524  24.402  -4.146
  775    H    LEU  99           H        LEU  99  23.305  25.752  -3.957
  776    HA   LEU  99           HA       LEU  99  20.962  24.682  -5.252
  777    HB2  LEU  99           HB2      LEU  99  21.009  25.448  -2.883
  778    HB3  LEU  99           HB3      LEU  99  21.317  27.104  -3.415
  779    HG   LEU  99           HG       LEU  99  19.066  27.096  -4.566
  780   HD11  LEU  99          HD11      LEU  99  18.663  24.453  -3.092
  781   HD12  LEU  99          HD12      LEU  99  17.421  25.366  -3.967
  782   HD13  LEU  99          HD13      LEU  99  18.760  24.650  -4.863
  783   HD21  LEU  99          HD21      LEU  99  17.763  27.251  -2.444
  784   HD22  LEU  99          HD22      LEU  99  19.151  26.552  -1.581
  785   HD23  LEU  99          HD23      LEU  99  19.307  28.120  -2.399
  786    H    GLN 100           H        GLN 100  22.702  27.782  -5.623
  787    HA   GLN 100           HA       GLN 100  20.802  29.042  -7.383
  788    HB2  GLN 100           HB2      GLN 100  23.813  29.480  -7.457
  789    HB3  GLN 100           HB3      GLN 100  22.534  30.570  -7.968
  790    HG2  GLN 100           HG2      GLN 100  21.768  30.627  -5.504
  791    HG3  GLN 100           HG3      GLN 100  23.277  29.809  -5.115
  792   HE21  GLN 100          HE22      GLN 100  25.303  31.025  -6.423
  793   HE22  GLN 100          HE21      GLN 100  25.271  32.759  -6.134
  794    H    GLU 101           H        GLU 101  23.679  26.982  -8.074
  795    HA   GLU 101           HA       GLU 101  23.299  26.879 -10.882
  796    HB2  GLU 101           HB2      GLU 101  24.567  24.868  -8.985
  797    HB3  GLU 101           HB3      GLU 101  24.601  24.740 -10.745
  798    HG2  GLU 101           HG2      GLU 101  25.720  26.970 -10.869
  799    HG3  GLU 101           HG3      GLU 101  25.800  27.012  -9.108
  800    H    GLN 102           H        GLN 102  21.932  24.659  -8.319
  801    HA   GLN 102           HA       GLN 102  20.623  23.034 -10.297
  802    HB2  GLN 102           HB2      GLN 102  19.724  23.358  -7.415
  803    HB3  GLN 102           HB3      GLN 102  19.304  22.073  -8.539
  804    HG2  GLN 102           HG2      GLN 102  21.761  22.406  -6.897
  805    HG3  GLN 102           HG3      GLN 102  20.853  20.968  -7.287
  806   HE21  GLN 102          HE22      GLN 102  23.686  22.746  -7.986
  807   HE22  GLN 102          HE21      GLN 102  24.188  21.803  -9.397
  808    H    VAL 103           H        VAL 103  19.443  25.887  -8.470
  809    HA   VAL 103           HA       VAL 103  16.754  25.702  -9.499
  810    HB   VAL 103           HB       VAL 103  18.313  27.992  -8.269
  811   HG11  VAL 103          HG11      VAL 103  16.111  29.166  -7.999
  812   HG12  VAL 103          HG12      VAL 103  16.627  29.075  -9.681
  813   HG13  VAL 103          HG13      VAL 103  15.367  27.970  -9.079
  814   HG21  VAL 103          HG21      VAL 103  16.793  27.526  -6.342
  815   HG22  VAL 103          HG22      VAL 103  15.978  26.268  -7.282
  816   HG23  VAL 103          HG23      VAL 103  17.669  26.053  -6.798
  817    H    GLU 104           H        GLU 104  19.684  27.477 -10.702
  818    HA   GLU 104           HA       GLU 104  18.407  28.616 -12.979
  819    HB2  GLU 104           HB2      GLU 104  20.647  29.250 -12.153
  820    HB3  GLU 104           HB3      GLU 104  21.291  27.679 -12.642
  821    HG2  GLU 104           HG2      GLU 104  20.764  28.189 -15.010
  822    HG3  GLU 104           HG3      GLU 104  20.029  29.719 -14.529
  823    H    LYS 105           H        LYS 105  20.057  25.425 -12.584
  824    HA   LYS 105           HA       LYS 105  19.612  24.434 -15.202
  825    HB2  LYS 105           HB2      LYS 105  21.119  23.491 -13.438
  826    HB3  LYS 105           HB3      LYS 105  19.702  22.924 -12.558
  827    HG2  LYS 105           HG2      LYS 105  19.127  21.512 -14.625
  828    HG3  LYS 105           HG3      LYS 105  20.678  22.036 -15.296
  829    HD2  LYS 105           HD2      LYS 105  21.132  19.934 -14.308
  830    HD3  LYS 105           HD3      LYS 105  21.764  21.114 -13.143
  831    HE2  LYS 105           HE2      LYS 105  19.523  20.905 -11.899
  832    HE3  LYS 105           HE3      LYS 105  19.098  19.614 -13.023
  833    HZ1  LYS 105           HZ1      LYS 105  19.975  18.596 -11.113
  834    HZ2  LYS 105           HZ2      LYS 105  21.170  18.461 -12.220
  835    HZ3  LYS 105           HZ3      LYS 105  21.284  19.597 -11.023
  836    H    ALA 106           H        ALA 106  17.500  24.140 -12.302
  837    HA   ALA 106           HA       ALA 106  15.385  22.679 -13.541
  838    HB1  ALA 106           HB1      ALA 106  15.382  24.618 -11.178
  839    HB2  ALA 106           HB2      ALA 106  14.085  23.478 -11.578
  840    HB3  ALA 106           HB3      ALA 106  15.681  22.864 -11.108
  841    H    MET 107           H        MET 107  15.837  26.253 -13.229
  842    HA   MET 107           HA       MET 107  13.281  26.828 -14.486
  843    HB2  MET 107           HB2      MET 107  15.699  28.571 -13.867
  844    HB3  MET 107           HB3      MET 107  14.185  29.181 -14.557
  845    HG2  MET 107           HG2      MET 107  14.430  27.707 -11.902
  846    HG3  MET 107           HG3      MET 107  14.266  29.444 -12.086
  847    HE1  MET 107           HE1      MET 107  12.501  26.495 -10.919
  848    HE2  MET 107           HE2      MET 107  12.566  28.066 -10.099
  849    HE3  MET 107           HE3      MET 107  10.996  27.382 -10.584
  850    H    CYS 108           H        CYS 108  16.605  26.563 -15.754
  851    HA   CYS 108           HA       CYS 108  15.955  27.278 -18.471
  852    HB2  CYS 108           HB2      CYS 108  18.238  27.223 -17.434
  853    HB3  CYS 108           HB3      CYS 108  18.151  25.455 -17.368
  854    HG   CYS 108           HG       CYS 108  17.743  25.121 -19.977
  855    H    SER 109           H        SER 109  16.117  24.134 -16.826
  856    HA   SER 109           HA       SER 109  15.813  21.999 -17.509
  857    HB2  SER 109           HB2      SER 109  13.495  21.379 -17.690
  858    HB3  SER 109           HB3      SER 109  13.701  22.636 -16.463
  859    HG   SER 109           HG       SER 109  13.205  23.163 -19.165