#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dkf s VAL 1051N 0.00 2.52 0.21 2.28 1.01 -1.26 -4.99 120.40 120.17 3dkf s VAL 1051Ca 0.00 0.41 -0.27 0.00 0.00 0.00 0.00 61.98 62.12 3dkf s VAL 1051Cb 0.00 -3.26 -0.09 0.00 0.00 0.00 0.00 36.38 33.03 3dkf s VAL 1051CO 0.00 0.06 0.86 -2.28 0.00 0.00 0.00 175.10 173.73 3dkf s HIS 1052N 0.33 3.92 -0.07 5.22 5.04 -1.26 -5.01 115.29 123.46 3dkf s HIS 1052Ca 0.63 1.76 0.01 0.00 -1.54 0.00 0.00 55.06 55.93 3dkf s HIS 1052Cb -0.44 -2.86 0.02 0.00 0.04 0.00 0.00 32.58 29.34 3dkf s HIS 1052CO 0.41 0.46 -0.10 -1.50 -2.34 0.00 0.00 174.74 171.67 3dkf s ILE 1053N -1.21 0.97 -0.34 0.89 2.07 -1.26 -5.04 121.20 117.27 3dkf s ILE 1053Ca 0.39 -0.36 -0.15 0.00 -1.41 0.00 0.00 60.65 59.13 3dkf s ILE 1053Cb -0.24 -0.92 -0.01 0.00 0.13 0.00 0.00 42.46 41.41 3dkf s ILE 1053CO 0.28 0.33 0.34 -0.62 -1.91 0.00 0.00 174.94 173.35 3dkf s ASP 1054N 0.91 6.15 0.34 4.50 2.15 -1.26 -4.33 116.67 125.14 3dkf s ASP 1054Ca -0.10 -0.27 0.18 0.00 0.43 0.00 0.00 52.55 52.79 3dkf s ASP 1054Cb -0.15 -2.18 0.47 0.00 -0.30 0.00 0.00 42.92 40.76 3dkf s ASP 1054CO 0.01 -0.31 1.63 -0.07 -0.17 0.00 0.00 175.17 176.26 3dkf h LEU 1055N 8.69 0.00 0.00 -1.34 3.38 -1.99 -3.07 115.31 120.98 3dkf h LEU 1055Ca -0.30 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.67 3dkf h LEU 1055Cb 1.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.90 3dkf h LEU 1055CO 0.68 0.41 0.00 -1.54 0.09 0.00 0.00 178.44 178.08 3dkf n SER 1056N -3.39 0.00 -0.06 -0.43 3.41 -1.26 -1.47 113.62 110.41 3dkf n SER 1056Ca 0.01 0.26 0.14 0.00 -0.26 0.00 0.00 58.87 59.01 3dkf n SER 1056Cb 0.59 -0.26 0.59 0.00 -0.26 0.00 0.00 64.21 64.86 3dkf n SER 1056CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dkf n ALA 1057N -1.26 2.75 -1.74 7.33 0.00 -1.16 -4.93 120.51 121.49 3dkf n ALA 1057Ca 0.00 -0.23 -0.34 0.00 0.00 0.00 0.00 53.44 52.87 3dkf n ALA 1057Cb 0.00 -1.35 -0.01 0.00 0.00 0.00 0.00 19.45 18.09 3dkf n ALA 1057CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 3dkf s LEU 1058N -2.65 3.71 0.12 0.00 2.34 -0.54 -4.97 118.68 116.70 3dkf s LEU 1058Ca 0.24 1.99 -0.34 0.00 0.06 0.00 0.00 54.13 56.08 3dkf s LEU 1058Cb 0.20 -4.56 -0.13 0.00 -0.56 0.00 0.00 46.19 41.13 3dkf s LEU 1058CO 0.51 -1.05 1.65 -3.20 -1.06 0.00 0.00 176.35 173.20 3dkf n ASN 1059N -1.38 3.25 -0.36 1.48 2.85 -1.26 -4.91 115.26 114.94 3dkf n ASN 1059Ca 0.10 1.06 -0.02 0.00 -0.11 0.00 0.00 54.58 55.61 3dkf n ASN 1059Cb 0.52 -1.43 0.12 0.00 1.24 0.00 0.00 39.78 40.23 3dkf n ASN 1059CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3dkf h PRO 1060N 6.62 1.28 -0.28 1.20 0.11 -1.96 -1.19 132.00 137.78 3dkf h PRO 1060Ca -0.45 -0.09 -0.09 0.00 0.11 0.00 0.00 66.00 65.48 3dkf h PRO 1060Cb 1.25 -0.28 -0.01 0.00 0.11 0.00 0.00 31.00 32.06 3dkf h PRO 1060CO 0.90 0.86 -0.20 1.49 -0.21 0.00 0.00 178.00 180.85 3dkf h GLU 1061N 1.32 0.51 -0.17 1.05 4.81 -1.99 -1.97 114.58 118.13 3dkf h GLU 1061Ca 0.35 -0.17 -0.22 0.00 -0.13 0.00 0.00 59.36 59.19 3dkf h GLU 1061Cb -0.13 -0.04 0.01 0.00 0.63 0.00 0.00 28.75 29.22 3dkf h GLU 1061CO -0.07 0.68 -0.76 -0.07 -0.73 0.00 0.00 179.01 178.06 3dkf h LEU 1062N 0.46 0.96 -1.18 1.64 3.38 -1.84 -1.91 115.31 116.82 3dkf h LEU 1062Ca 0.07 -0.62 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 3dkf h LEU 1062Cb 0.61 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 3dkf h LEU 1062CO 0.04 1.42 -0.36 1.62 0.09 0.00 0.00 178.44 181.25 3dkf h VAL 1063N 0.56 1.03 -0.05 1.22 3.04 -1.19 -2.59 116.25 118.28 3dkf h VAL 1063Ca -0.05 -1.36 -0.10 0.00 -1.01 0.00 0.00 66.70 64.19 3dkf h VAL 1063Cb 1.39 1.78 0.01 0.00 -2.01 0.00 0.00 31.29 32.45 3dkf h VAL 1063CO 0.16 0.36 -0.34 0.06 -1.01 0.00 0.00 177.57 176.79 3dkf h GLN 1064N 0.00 0.32 0.00 4.17 -0.00 -1.30 -3.27 115.11 115.04 3dkf h GLN 1064Ca -0.00 -0.28 -0.04 0.00 -0.00 0.00 0.00 58.65 58.33 3dkf h GLN 1064Cb 0.75 0.06 -0.01 0.00 -0.00 0.00 0.00 27.48 28.29 3dkf h GLN 1064CO 0.05 0.93 -0.17 0.00 -0.00 0.00 0.00 178.83 179.64 3dkf h ALA 1065N 0.39 1.08 -0.02 0.06 0.00 -1.30 -2.96 119.26 116.52 3dkf h ALA 1065Ca -0.03 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.73 3dkf h ALA 1065Cb 1.01 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.77 3dkf h ALA 1065CO 0.07 0.21 -0.01 1.55 0.00 0.00 0.00 179.25 181.07 3dkf n VAL 1066N -3.42 0.00 -0.31 0.00 3.14 -0.98 -4.47 118.33 112.29 3dkf n VAL 1066Ca -0.00 -0.31 -0.02 0.00 -2.96 0.00 0.00 64.34 61.04 3dkf n VAL 1066Cb 0.36 0.77 0.10 0.00 -1.06 0.00 0.00 33.84 34.01 3dkf n VAL 1066CO 0.00 0.00 0.00 1.56 -6.46 0.00 0.00 176.83 171.93 3dkf h GLN 1067N 2.94 1.05 0.00 1.45 4.20 -1.57 -1.92 115.11 121.27 3dkf h GLN 1067Ca 0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 3dkf h GLN 1067Cb 0.64 -0.24 0.00 0.00 0.30 0.00 0.00 27.48 28.18 3dkf h GLN 1067CO 0.00 0.69 0.00 -2.39 -0.67 0.00 0.00 178.83 176.46 3dkf n HIS 1068N -4.54 0.00 0.20 2.96 1.44 -1.26 -1.77 115.22 112.24 3dkf n HIS 1068Ca 0.10 0.00 0.07 0.00 -2.01 0.00 0.00 57.72 55.88 3dkf n HIS 1068Cb 0.07 -0.39 -0.10 0.00 0.12 0.00 0.00 29.99 29.69 3dkf n HIS 1068CO 0.00 0.00 0.00 0.28 -2.81 0.00 0.00 176.34 173.81 3dkf n VAL 1069N -1.39 0.00 -2.51 0.61 0.31 -0.77 -4.99 118.33 109.59 3dkf n VAL 1069Ca 0.06 -0.28 -0.41 0.00 -0.01 0.00 0.00 64.34 63.70 3dkf n VAL 1069Cb 0.15 0.42 -0.04 0.00 -0.91 0.00 0.00 33.84 33.46 3dkf n VAL 1069CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 3dkf s VAL 1070N -2.81 3.81 -0.18 2.52 1.01 -0.73 -0.04 120.40 123.97 3dkf s VAL 1070Ca -0.02 1.60 -0.05 0.00 0.00 0.00 0.00 61.98 63.51 3dkf s VAL 1070Cb 0.10 -4.02 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3dkf s VAL 1070CO 0.60 0.30 0.00 -0.63 0.00 0.00 0.00 175.10 175.37 3dkf s ILE 1071N -0.41 4.11 0.58 2.22 1.01 -0.98 -4.87 121.20 122.87 3dkf s ILE 1071Ca 0.48 -0.27 -0.20 0.00 0.00 0.00 0.00 60.65 60.66 3dkf s ILE 1071Cb -0.30 -2.84 -0.03 0.00 0.01 0.00 0.00 42.46 39.30 3dkf s ILE 1071CO 0.36 0.45 1.34 0.61 0.00 0.00 0.00 174.94 177.70 3dkf n GLY 1072N 3.89 0.70 0.33 6.18 0.00 -1.26 -4.82 105.19 110.21 3dkf n GLY 1072Ca -0.17 -0.04 0.22 0.00 0.00 0.00 0.00 46.02 46.03 3dkf n GLY 1072CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 3dkf h PRO 1073N 1.10 0.00 -0.00 1.61 0.11 -1.99 -0.79 132.00 132.04 3dkf h PRO 1073Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3dkf h PRO 1073Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3dkf h PRO 1073CO 0.56 0.00 -0.88 0.43 -0.21 0.00 0.00 178.00 177.90 3dkf n SER 1074N -3.10 0.96 0.17 -2.05 7.64 -1.26 -4.30 113.62 111.68 3dkf n SER 1074Ca -0.02 -0.89 0.12 0.00 1.01 0.00 0.00 58.87 59.09 3dkf n SER 1074Cb 0.12 0.83 0.10 0.00 -1.01 0.00 0.00 64.21 64.25 3dkf n SER 1074CO 0.00 0.00 0.00 0.28 -3.01 0.00 0.00 175.04 172.31 3dkf h SER 1075N 0.13 0.00 -3.59 6.43 0.02 -1.49 -3.46 113.55 111.59 3dkf h SER 1075Ca 0.00 -0.00 -0.58 0.00 -0.84 0.00 0.00 61.79 60.36 3dkf h SER 1075Cb 0.51 0.00 -0.32 0.00 0.14 0.00 0.00 62.40 62.73 3dkf h SER 1075CO 0.00 0.00 -0.84 -0.22 -1.14 0.00 0.00 176.83 174.63 3dkf s LEU 1076N -5.84 1.87 -0.33 5.07 2.96 -1.19 -4.40 118.68 116.82 3dkf s LEU 1076Ca 0.04 -0.40 0.03 0.00 -0.22 0.00 0.00 54.13 53.59 3dkf s LEU 1076Cb 0.07 -1.06 0.09 0.00 0.50 0.00 0.00 46.19 45.79 3dkf s LEU 1076CO 0.72 0.12 0.03 -0.63 -1.32 0.00 0.00 176.35 175.27 3dkf s ILE 1077N 0.33 2.33 -0.40 6.68 1.01 0.31 -4.95 121.20 126.50 3dkf s ILE 1077Ca -0.12 -2.22 -0.22 0.00 0.00 0.00 0.00 60.65 58.09 3dkf s ILE 1077Cb -0.15 -2.66 0.01 0.00 0.01 0.00 0.00 42.46 39.67 3dkf s ILE 1077CO 0.05 -0.52 0.73 -0.69 0.00 0.00 0.00 174.94 174.51 3dkf s VAL 1078N 0.95 4.75 -1.21 2.92 1.01 -1.26 -0.91 120.40 126.65 3dkf s VAL 1078Ca 0.08 0.57 -0.19 0.00 0.00 0.00 0.00 61.98 62.43 3dkf s VAL 1078Cb -0.19 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.04 3dkf s VAL 1078CO -0.07 -0.52 1.64 -1.00 0.00 0.00 0.00 175.10 175.14 3dkf s HIS 1079N 3.04 2.73 -0.76 5.22 3.76 -0.61 -4.79 115.29 123.87 3dkf s HIS 1079Ca 0.28 -1.40 0.10 0.00 -0.15 0.00 0.00 55.06 53.89 3dkf s HIS 1079Cb -0.13 -4.73 0.50 0.00 1.11 0.00 0.00 32.58 29.33 3dkf s HIS 1079CO 0.19 -1.84 1.32 1.19 -0.85 0.00 0.00 174.74 174.75 3dkf n PHE 1080N 8.46 0.25 -0.04 1.40 3.01 -1.26 -2.36 117.46 126.92 3dkf n PHE 1080Ca 0.44 0.12 -0.12 0.00 1.01 0.00 0.00 57.45 58.90 3dkf n PHE 1080Cb 0.47 -0.69 -0.07 0.00 -0.01 0.00 0.00 39.48 39.18 3dkf n PHE 1080CO 0.00 0.00 0.00 -0.91 1.01 0.00 0.00 176.76 176.86 3dkf h ASN 1081N 0.00 0.20 -3.60 4.37 2.35 -1.95 -3.42 115.58 113.54 3dkf h ASN 1081Ca 0.00 -0.34 -0.70 0.00 -0.55 0.00 0.00 56.30 54.70 3dkf h ASN 1081Cb 0.09 -0.06 -0.25 0.00 0.05 0.00 0.00 38.32 38.16 3dkf h ASN 1081CO 0.00 0.50 -0.53 -1.83 -1.65 0.00 0.00 177.43 173.92 3dkf s GLU 1082N -4.85 2.83 0.00 0.81 1.03 -1.00 -5.07 118.70 112.46 3dkf s GLU 1082Ca -0.14 -1.07 -0.23 0.00 0.03 0.00 0.00 54.97 53.56 3dkf s GLU 1082Cb 0.05 -3.69 -0.05 0.00 -0.80 0.00 0.00 34.13 29.63 3dkf s GLU 1082CO 0.71 -0.68 0.69 0.14 -1.33 0.00 0.00 175.26 174.79 3dkf s VAL 1083N 1.54 4.86 -0.07 1.83 -7.23 -1.26 -2.82 120.40 117.24 3dkf s VAL 1083Ca 0.02 1.45 0.07 0.00 -1.81 0.00 0.00 61.98 61.71 3dkf s VAL 1083Cb -0.19 -4.03 -0.10 0.00 0.56 0.00 0.00 36.38 32.62 3dkf s VAL 1083CO 0.06 0.36 0.18 2.30 -0.31 0.00 0.00 175.10 177.69 3dkf n ILE 1084N 2.97 0.00 -3.55 -0.62 -5.35 0.40 -4.93 119.36 108.28 3dkf n ILE 1084Ca -0.04 -0.20 -0.11 0.00 -0.27 0.00 0.00 62.75 62.14 3dkf n ILE 1084Cb 0.51 0.48 -0.03 0.00 -1.74 0.00 0.00 39.64 38.86 3dkf n ILE 1084CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 3dkf s GLY 1085N -2.54 -0.43 -0.12 3.28 0.00 -0.94 -5.00 107.32 101.57 3dkf s GLY 1085Ca -0.01 0.21 -0.06 0.00 0.00 0.00 0.00 44.72 44.86 3dkf s GLY 1085CO 0.28 -0.02 0.28 0.50 0.00 0.00 0.00 173.10 174.15 3dkf s ARG 1086N -3.79 0.23 0.49 2.90 3.00 -1.26 0.07 118.95 120.58 3dkf s ARG 1086Ca 0.03 0.64 0.01 0.00 0.00 0.00 0.00 55.73 56.41 3dkf s ARG 1086Cb -0.01 -0.07 -0.00 0.00 0.00 0.00 0.00 34.95 34.87 3dkf s ARG 1086CO -0.10 -0.19 0.04 0.41 0.00 0.00 0.00 175.30 175.47 3dkf n GLY 1087N 4.50 3.45 0.27 -3.53 0.00 -0.44 -4.60 105.19 104.84 3dkf n GLY 1087Ca -0.21 -2.30 -0.01 0.00 0.00 0.00 0.00 46.02 43.51 3dkf n GLY 1087CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 3dkf h HIS 1088N 1.39 0.55 -0.61 1.61 3.86 -1.94 -3.11 115.15 116.90 3dkf h HIS 1088Ca -0.40 -0.06 0.00 0.00 -1.16 0.00 0.00 60.37 58.75 3dkf h HIS 1088Cb 1.29 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 29.60 3dkf h HIS 1088CO 0.00 0.56 0.00 1.19 0.86 0.00 0.00 177.93 180.54 3dkf n PHE 1089N -4.26 1.07 0.00 2.45 0.99 -1.26 -5.02 117.46 111.43 3dkf n PHE 1089Ca 0.01 -0.47 0.00 0.00 -0.00 0.00 0.00 57.45 56.99 3dkf n PHE 1089Cb 0.27 -0.10 0.00 0.00 -1.00 0.00 0.00 39.48 38.65 3dkf n PHE 1089CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3dkf n GLY 1090N 1.30 3.60 3.90 1.37 0.00 -1.18 -3.48 105.19 110.70 3dkf n GLY 1090Ca 0.22 -1.60 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 3dkf n GLY 1090CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkf s VAL 1092N -2.49 2.86 0.16 0.00 1.01 0.11 -1.03 120.40 121.03 3dkf s VAL 1092Ca 0.48 -0.73 0.11 0.00 0.00 0.00 0.00 61.98 61.84 3dkf s VAL 1092Cb -0.10 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 34.05 3dkf s VAL 1092CO 0.37 0.53 -0.24 -0.31 0.00 0.00 0.00 175.10 175.45 3dkf s TYR 1093N 0.34 2.34 0.16 5.22 1.51 0.13 -0.46 117.35 126.60 3dkf s TYR 1093Ca -0.12 -0.35 -0.31 0.00 -1.01 0.00 0.00 57.07 55.27 3dkf s TYR 1093Cb -0.16 -1.21 -0.09 0.00 -0.11 0.00 0.00 41.96 40.39 3dkf s TYR 1093CO 0.06 0.43 1.40 -1.58 -1.11 0.00 0.00 175.55 174.76 3dkf s HIS 1094N -1.39 3.19 0.13 2.71 5.65 -1.13 -0.28 115.29 124.16 3dkf s HIS 1094Ca 0.18 0.98 0.05 0.00 0.25 0.00 0.00 55.06 56.52 3dkf s HIS 1094Cb -0.09 -3.72 -0.04 0.00 -1.18 0.00 0.00 32.58 27.55 3dkf s HIS 1094CO 0.09 -2.46 -0.12 0.20 -0.65 0.00 0.00 174.74 171.80 3dkf s GLY 1095N 0.80 1.06 -0.18 1.59 0.00 -0.21 -1.58 107.32 108.81 3dkf s GLY 1095Ca 0.63 -1.38 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 3dkf s GLY 1095CO 0.34 -1.46 -0.13 -1.59 0.00 0.00 0.00 173.10 170.26 3dkf s THR 1096N -2.71 2.73 -0.20 0.90 2.01 -0.09 -0.72 115.64 117.57 3dkf s THR 1096Ca 0.12 -0.73 -0.07 0.00 0.31 0.00 0.00 61.69 61.32 3dkf s THR 1096Cb -0.01 -2.18 -0.10 0.00 0.01 0.00 0.00 72.50 70.22 3dkf s THR 1096CO 0.02 0.50 -0.24 -0.11 -0.69 0.00 0.00 174.62 174.09 3dkf n LEU 1097N 4.37 1.83 0.00 4.42 7.94 -0.66 -0.53 117.00 134.37 3dkf n LEU 1097Ca -0.19 0.16 0.00 0.00 -1.11 0.00 0.00 56.01 54.87 3dkf n LEU 1097Cb 0.51 -0.62 0.00 0.00 0.53 0.00 0.00 43.42 43.84 3dkf n LEU 1097CO 0.28 0.53 0.00 2.29 -1.11 0.00 0.00 177.39 179.38 3dkf n LYS 1103N -3.70 0.00 -3.78 1.96 0.00 -1.26 -2.31 118.16 109.07 3dkf n LYS 1103Ca -0.39 0.00 -0.36 0.00 -0.00 0.00 0.00 58.31 57.56 3dkf n LYS 1103Cb 0.80 0.00 -0.12 0.00 -0.00 0.00 0.00 35.03 35.71 3dkf n LYS 1103CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 3dkf s LYS 1104N 0.00 3.67 -0.06 -1.58 2.20 -1.26 -5.10 119.74 117.61 3dkf s LYS 1104Ca 0.00 -0.47 0.03 0.00 -0.36 0.00 0.00 55.97 55.17 3dkf s LYS 1104Cb 0.00 -3.31 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 3dkf s LYS 1104CO 0.00 -0.16 -0.14 0.96 -0.36 0.00 0.00 175.35 175.65 3dkf s ILE 1105N 1.53 3.06 0.33 5.43 -4.36 -0.98 -5.11 121.20 121.11 3dkf s ILE 1105Ca 0.06 -0.72 -0.29 0.00 -0.26 0.00 0.00 60.65 59.45 3dkf s ILE 1105Cb -0.15 -2.21 -0.11 0.00 1.25 0.00 0.00 42.46 41.25 3dkf s ILE 1105CO 0.04 0.58 1.42 -1.00 0.24 0.00 0.00 174.94 176.22 3dkf s HIS 1106N -0.60 2.85 0.19 1.37 3.76 -1.26 -1.65 115.29 119.95 3dkf s HIS 1106Ca 0.09 1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 56.17 3dkf s HIS 1106Cb -0.11 -3.86 -0.03 0.00 1.11 0.00 0.00 32.58 29.68 3dkf s HIS 1106CO 0.01 -2.55 0.18 0.00 -0.85 0.00 0.00 174.74 171.53 3dkf s ALA 1108N -4.10 2.97 -0.26 0.00 0.00 0.16 -1.04 121.76 119.48 3dkf s ALA 1108Ca 0.32 -1.02 -0.05 0.00 0.00 0.00 0.00 51.96 51.21 3dkf s ALA 1108Cb 0.06 -1.74 0.01 0.00 0.00 0.00 0.00 23.12 21.44 3dkf s ALA 1108CO 0.09 -0.20 0.01 0.08 0.00 0.00 0.00 175.76 175.74 3dkf s VAL 1109N 1.09 3.51 -0.27 0.00 1.01 0.61 0.21 120.40 126.56 3dkf s VAL 1109Ca 0.02 -0.74 -0.12 0.00 0.00 0.00 0.00 61.98 61.14 3dkf s VAL 1109Cb -0.14 -2.76 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 3dkf s VAL 1109CO 0.01 0.19 0.22 -0.75 0.00 0.00 0.00 175.10 174.78 3dkf s LYS 1110N 1.44 4.00 -0.51 2.72 2.20 0.96 0.19 119.74 130.74 3dkf s LYS 1110Ca 0.03 -0.22 -0.20 0.00 -0.36 0.00 0.00 55.97 55.21 3dkf s LYS 1110Cb -0.16 -3.63 0.05 0.00 -1.51 0.00 0.00 37.83 32.58 3dkf s LYS 1110CO -0.01 -0.14 0.69 0.45 -0.36 0.00 0.00 175.35 175.99 3dkf s SER 1111N 1.55 6.25 0.88 1.43 0.15 -0.19 -0.32 113.70 123.45 3dkf s SER 1111Ca 0.09 -0.75 -0.12 0.00 0.70 0.00 0.00 55.95 55.87 3dkf s SER 1111Cb -0.15 -2.32 0.12 0.00 -1.71 0.00 0.00 66.02 61.95 3dkf s SER 1111CO 0.09 -0.95 1.15 -0.76 1.20 0.00 0.00 173.24 173.97 3dkf s LEU 1112N 2.92 2.18 0.35 3.45 1.02 -0.44 -3.50 118.68 124.65 3dkf s LEU 1112Ca 0.19 0.89 -0.28 0.00 0.02 0.00 0.00 54.13 54.95 3dkf s LEU 1112Cb -0.17 -3.26 -0.10 0.00 0.02 0.00 0.00 46.19 42.68 3dkf s LEU 1112CO 0.14 -2.35 1.24 0.20 0.02 0.00 0.00 176.35 175.59 3dkf s ASN 1113N -4.22 6.74 -0.01 2.29 0.01 -1.23 -4.42 114.94 114.10 3dkf s ASN 1113Ca 0.63 2.53 -0.34 0.00 -0.71 0.00 0.00 52.86 54.97 3dkf s ASN 1113Cb -0.13 -2.64 -0.13 0.00 0.41 0.00 0.00 41.25 38.76 3dkf s ASN 1113CO 0.52 -0.54 1.76 -1.14 -1.51 0.00 0.00 177.10 176.19 3dkf n ARG 1114N 0.61 2.09 -3.24 -0.60 0.63 -1.26 -4.59 116.66 110.30 3dkf n ARG 1114Ca 0.01 0.76 -0.39 0.00 -0.92 0.00 0.00 57.85 57.31 3dkf n ARG 1114Cb 0.44 -2.57 -0.07 0.00 0.45 0.00 0.00 32.46 30.71 3dkf n ARG 1114CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 3dkf s ILE 1115N 2.94 5.10 -0.03 5.15 1.01 0.11 -4.96 121.20 130.51 3dkf s ILE 1115Ca 0.88 0.95 0.14 0.00 0.00 0.00 0.00 60.65 62.62 3dkf s ILE 1115Cb -0.71 -3.84 -0.21 0.00 0.01 0.00 0.00 42.46 37.70 3dkf s ILE 1115CO 0.48 0.16 0.28 1.07 0.00 0.00 0.00 174.94 176.92 3dkf n THR 1116N 4.65 0.12 -3.97 2.92 5.66 -1.26 -4.49 114.28 117.91 3dkf n THR 1116Ca -0.04 -0.36 -0.35 0.00 -3.05 0.00 0.00 64.05 60.25 3dkf n THR 1116Cb 0.50 0.07 -0.10 0.00 -1.55 0.00 0.00 70.33 69.25 3dkf n THR 1116CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3dkf s ASP 1117N -3.77 5.70 0.48 1.09 -1.08 -1.26 -4.76 116.67 113.06 3dkf s ASP 1117Ca -0.05 0.10 0.22 0.00 -0.52 0.00 0.00 52.55 52.30 3dkf s ASP 1117Cb 0.08 -1.98 1.20 0.00 -1.46 0.00 0.00 42.92 40.76 3dkf s ASP 1117CO 0.59 0.17 1.99 -0.29 0.52 0.00 0.00 175.17 178.15 3dkf h ILE 1118N 4.85 0.79 -0.21 4.11 -0.00 -1.96 -0.71 117.51 124.39 3dkf h ILE 1118Ca -0.37 -0.73 -0.01 0.00 -0.00 0.00 0.00 64.86 63.75 3dkf h ILE 1118Cb 1.17 1.44 -0.01 0.00 -0.00 0.00 0.00 36.82 39.42 3dkf h ILE 1118CO 0.71 0.18 0.10 1.23 -0.00 0.00 0.00 178.15 180.37 3dkf h GLY 1119N 0.95 0.32 1.94 8.18 0.00 -1.99 -1.50 103.07 110.96 3dkf h GLY 1119Ca -0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 47.33 47.11 3dkf h GLY 1119CO 0.02 0.15 -0.30 1.05 0.00 0.00 0.00 176.54 177.46 3dkf h GLU 1120N 0.21 0.07 -0.47 4.80 9.09 -1.73 -1.76 114.58 124.80 3dkf h GLU 1120Ca 0.07 -0.02 -0.04 0.00 0.05 0.00 0.00 59.36 59.41 3dkf h GLU 1120Cb 0.11 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.18 3dkf h GLU 1120CO -0.01 0.37 0.12 0.28 0.05 0.00 0.00 179.01 179.82 3dkf h VAL 1121N 0.07 1.23 -0.53 -1.06 2.07 -1.04 -1.99 116.25 115.00 3dkf h VAL 1121Ca 0.01 -0.80 -0.05 0.00 0.82 0.00 0.00 66.70 66.68 3dkf h VAL 1121Cb 0.56 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.17 3dkf h VAL 1121CO 0.04 0.29 0.15 0.28 0.02 0.00 0.00 177.57 178.34 3dkf h SER 1122N 0.62 0.75 0.32 0.57 0.02 -0.67 -1.67 113.55 113.49 3dkf h SER 1122Ca 0.15 -0.12 -0.14 0.00 -0.84 0.00 0.00 61.79 60.84 3dkf h SER 1122Cb 0.30 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 3dkf h SER 1122CO -0.00 0.72 -0.56 1.56 -1.14 0.00 0.00 176.83 177.41 3dkf h GLN 1123N 0.78 0.26 -0.56 3.45 4.20 -1.26 -1.20 115.11 120.78 3dkf h GLN 1123Ca 0.18 -0.16 -0.09 0.00 0.06 0.00 0.00 58.65 58.63 3dkf h GLN 1123Cb 0.26 0.02 -0.02 0.00 0.30 0.00 0.00 27.48 28.04 3dkf h GLN 1123CO -0.00 0.75 -0.01 0.35 -0.67 0.00 0.00 178.83 179.25 3dkf h PHE 1124N 0.20 1.06 -0.20 2.96 3.57 -0.97 -1.50 116.94 122.06 3dkf h PHE 1124Ca -0.00 -0.18 -0.19 0.00 3.53 0.00 0.00 57.97 61.14 3dkf h PHE 1124Cb 1.05 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3dkf h PHE 1124CO 0.02 0.95 -0.63 -0.07 -2.23 0.00 0.00 178.31 176.35 3dkf h LEU 1125N 0.90 0.80 -0.38 0.59 3.38 -1.16 -2.25 115.31 117.18 3dkf h LEU 1125Ca 0.16 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.61 3dkf h LEU 1125Cb 0.54 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3dkf h LEU 1125CO 0.03 1.23 0.03 0.74 0.09 0.00 0.00 178.44 180.56 3dkf h THR 1126N 0.51 1.25 -0.79 0.22 2.02 -1.17 -2.60 112.91 112.35 3dkf h THR 1126Ca -0.01 -0.94 0.01 0.00 0.77 0.00 0.00 66.41 66.24 3dkf h THR 1126Cb 1.22 1.11 -0.04 0.00 -1.74 0.00 0.00 68.15 68.70 3dkf h THR 1126CO 0.13 0.32 0.52 -0.33 0.37 0.00 0.00 175.52 176.53 3dkf h GLU 1127N 0.49 1.03 -0.48 6.66 3.07 -1.30 -2.60 114.58 121.45 3dkf h GLU 1127Ca 0.11 -0.06 0.07 0.00 -0.50 0.00 0.00 59.36 58.98 3dkf h GLU 1127Cb 0.42 -0.23 -0.06 0.00 -0.84 0.00 0.00 28.75 28.05 3dkf h GLU 1127CO 0.01 0.68 0.17 0.78 -1.40 0.00 0.00 179.01 179.25 3dkf h GLY 1128N 1.06 0.64 0.99 -3.84 0.00 -1.24 -0.05 103.07 100.63 3dkf h GLY 1128Ca 0.29 -0.09 -0.05 0.00 0.00 0.00 0.00 47.33 47.48 3dkf h GLY 1128CO -0.07 0.01 0.13 -2.22 0.00 0.00 0.00 176.54 174.39 3dkf h ILE 1129N 0.34 1.24 -0.12 2.60 2.04 -1.22 0.19 117.51 122.59 3dkf h ILE 1129Ca 0.23 -0.87 -0.03 0.00 1.00 0.00 0.00 64.86 65.19 3dkf h ILE 1129Cb 0.24 0.78 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 3dkf h ILE 1129CO -0.24 0.32 -0.04 0.40 0.00 0.00 0.00 178.15 178.60 3dkf h ILE 1130N 0.76 1.30 -0.66 -0.67 2.04 -1.32 -3.09 117.51 115.86 3dkf h ILE 1130Ca 0.17 -0.99 0.02 0.00 1.00 0.00 0.00 64.86 65.05 3dkf h ILE 1130Cb 0.34 1.71 -0.04 0.00 -0.74 0.00 0.00 36.82 38.10 3dkf h ILE 1130CO 0.00 0.29 0.43 -0.03 0.00 0.00 0.00 178.15 178.84 3dkf h MET 1131N -0.09 0.84 -0.98 2.37 4.05 -0.96 -1.83 114.93 118.32 3dkf h MET 1131Ca 0.03 -0.05 0.26 0.00 -0.28 0.00 0.00 59.70 59.66 3dkf h MET 1131Cb 0.46 -0.19 -0.06 0.00 -0.80 0.00 0.00 31.60 31.01 3dkf h MET 1131CO 0.01 0.55 0.67 -0.22 0.23 0.00 0.00 176.91 178.15 3dkf h LYS 1132N 0.86 0.23 -0.19 0.39 1.63 -0.91 0.16 116.57 118.74 3dkf h LYS 1132Ca 0.25 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 60.04 3dkf h LYS 1132Cb -0.05 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.53 3dkf h LYS 1132CO -0.07 0.15 0.00 -0.25 -3.45 0.00 0.00 179.45 175.83 3dkf n ASP 1133N -4.43 1.88 -3.84 4.20 9.92 -0.70 -4.33 116.55 119.25 3dkf n ASP 1133Ca 0.22 -1.75 -0.42 0.00 -0.53 0.00 0.00 54.79 52.31 3dkf n ASP 1133Cb 0.90 -0.12 0.01 0.00 -0.64 0.00 0.00 41.12 41.26 3dkf n ASP 1133CO 0.00 0.00 0.00 0.49 0.13 0.00 0.00 177.20 177.82 3dkf n PHE 1134N 0.47 2.75 -3.93 1.24 0.99 0.56 -4.96 117.46 114.58 3dkf n PHE 1134Ca 0.16 -2.74 -0.35 0.00 -0.00 0.00 0.00 57.45 54.52 3dkf n PHE 1134Cb 0.36 -1.79 -0.14 0.00 -1.00 0.00 0.00 39.48 36.91 3dkf n PHE 1134CO 0.00 0.00 0.00 0.45 -0.00 0.00 0.00 176.76 177.21 3dkf s SER 1135N 0.25 4.29 -0.18 4.37 0.15 -1.26 -4.65 113.70 116.68 3dkf s SER 1135Ca 0.39 -0.39 -0.28 0.00 0.70 0.00 0.00 55.95 56.37 3dkf s SER 1135Cb 0.10 -1.74 0.09 0.00 -1.71 0.00 0.00 66.02 62.77 3dkf s SER 1135CO 0.01 -0.02 0.83 -2.28 1.20 0.00 0.00 173.24 172.99 3dkf s HIS 1136N 1.45 -0.59 0.53 3.44 5.04 -1.26 -5.04 115.29 118.86 3dkf s HIS 1136Ca 0.05 1.22 0.31 0.00 -1.54 0.00 0.00 55.06 55.10 3dkf s HIS 1136Cb -0.14 0.38 1.46 0.00 0.04 0.00 0.00 32.58 34.31 3dkf s HIS 1136CO -0.03 -0.42 1.87 -1.35 -2.34 0.00 0.00 174.74 172.47 3dkf h PRO 1137N 3.63 0.04 -0.39 2.88 0.11 -1.98 -1.87 132.00 134.42 3dkf h PRO 1137Ca -0.26 -0.00 -0.13 0.00 0.11 0.00 0.00 66.00 65.72 3dkf h PRO 1137Cb 1.16 -0.01 -0.08 0.00 0.11 0.00 0.00 31.00 32.18 3dkf h PRO 1137CO 0.23 0.03 0.04 0.09 -0.21 0.00 0.00 178.00 178.17 3dkf n ASN 1138N -4.28 3.36 -3.94 -2.05 5.03 -1.26 -4.77 115.26 107.35 3dkf n ASN 1138Ca 0.20 -3.40 -0.19 0.00 0.87 0.00 0.00 54.58 52.06 3dkf n ASN 1138Cb 0.99 -0.62 -0.16 0.00 -1.02 0.00 0.00 39.78 38.97 3dkf n ASN 1138CO 0.00 0.00 0.00 -0.69 -1.83 0.00 0.00 177.26 174.74 3dkf s VAL 1139N -3.06 0.60 -0.01 2.41 1.01 -0.70 -0.67 120.40 119.97 3dkf s VAL 1139Ca 0.45 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.91 3dkf s VAL 1139Cb 0.39 -0.56 -0.08 0.00 0.00 0.00 0.00 36.38 36.12 3dkf s VAL 1139CO 0.06 0.21 2.03 -0.11 0.00 0.00 0.00 175.10 177.28 3dkf n LEU 1140N 3.54 4.00 -4.22 3.92 7.94 0.29 -4.41 117.00 128.07 3dkf n LEU 1140Ca -0.20 0.77 -0.36 0.00 -1.11 0.00 0.00 56.01 55.10 3dkf n LEU 1140Cb 0.53 -1.53 -0.13 0.00 0.53 0.00 0.00 43.42 42.82 3dkf n LEU 1140CO 0.24 0.03 -0.31 -0.94 -1.11 0.00 0.00 177.39 175.31 3dkf s SER 1141N 5.21 5.09 -0.14 1.96 1.04 -1.26 -4.96 113.70 120.65 3dkf s SER 1141Ca 0.91 -1.23 -0.38 0.00 0.48 0.00 0.00 55.95 55.74 3dkf s SER 1141Cb -0.42 -1.78 -0.15 0.00 0.10 0.00 0.00 66.02 63.77 3dkf s SER 1141CO 0.41 -0.30 1.66 -0.11 0.98 0.00 0.00 173.24 175.89 3dkf n LEU 1142N 4.71 2.44 0.07 2.42 7.94 -1.26 -4.42 117.00 128.89 3dkf n LEU 1142Ca -0.13 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.66 3dkf n LEU 1142Cb 0.44 -1.21 -0.09 0.00 0.53 0.00 0.00 43.42 43.09 3dkf n LEU 1142CO 0.29 -0.50 0.07 -0.07 -1.11 0.00 0.00 177.39 176.06 3dkf h LEU 1143N 6.86 0.74 0.00 -1.96 3.38 -1.50 -3.46 115.31 119.37 3dkf h LEU 1143Ca -0.47 -0.63 0.00 0.00 0.09 0.00 0.00 57.88 56.87 3dkf h LEU 1143Cb 1.31 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.83 3dkf h LEU 1143CO 0.91 1.44 0.00 0.61 0.09 0.00 0.00 178.44 181.49 3dkf n GLY 1144N 1.14 -0.93 3.34 0.83 0.00 -1.09 -4.96 105.19 103.53 3dkf n GLY 1144Ca -0.10 -1.20 -0.27 0.00 0.00 0.00 0.00 46.02 44.44 3dkf n GLY 1144CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dkf s ILE 1145N -2.00 2.01 -0.00 -0.61 -4.36 0.94 -1.28 121.20 115.90 3dkf s ILE 1145Ca 0.00 -1.59 0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3dkf s ILE 1145Cb 0.00 -1.79 -0.01 0.00 1.25 0.00 0.00 42.46 41.91 3dkf s ILE 1145CO 0.00 0.09 -0.13 0.00 0.24 0.00 0.00 174.94 175.14 3dkf s LEU 1147N -0.44 0.75 0.77 0.00 2.96 -1.26 0.40 118.68 121.86 3dkf s LEU 1147Ca 0.04 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.24 3dkf s LEU 1147Cb -0.05 -0.42 0.10 0.00 0.50 0.00 0.00 46.19 46.32 3dkf s LEU 1147CO -0.00 -0.31 1.09 0.00 -1.32 0.00 0.00 176.35 175.81 3dkf s ARG 1148N 1.99 1.75 0.33 1.98 1.70 -0.62 -4.91 118.95 121.18 3dkf s ARG 1148Ca 0.01 -0.41 -0.28 0.00 -0.47 0.00 0.00 55.73 54.57 3dkf s ARG 1148Cb -0.16 -2.11 -0.12 0.00 -0.57 0.00 0.00 34.95 31.98 3dkf s ARG 1148CO -0.08 -1.55 1.30 0.45 -1.08 0.00 0.00 175.30 174.33 3dkf n SER 1149N -3.11 2.74 -0.43 -2.89 2.88 -1.26 -1.89 113.62 109.66 3dkf n SER 1149Ca 0.11 1.20 -0.06 0.00 -1.33 0.00 0.00 58.87 58.79 3dkf n SER 1149Cb 0.60 -1.48 -0.02 0.00 -0.75 0.00 0.00 64.21 62.56 3dkf n SER 1149CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 3dkf n GLU 1150N 0.68 -0.78 -2.67 -1.46 -0.58 -1.26 -4.06 120.64 110.51 3dkf n GLU 1150Ca 0.05 0.58 -0.04 0.00 -0.42 0.00 0.00 57.16 57.34 3dkf n GLU 1150Cb 0.36 -4.40 0.01 0.00 -0.57 0.00 0.00 31.44 26.84 3dkf n GLU 1150CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3dkf n GLY 1151N -1.52 0.70 3.45 0.62 0.00 -0.80 -4.60 105.19 103.05 3dkf n GLY 1151Ca -0.06 -0.52 -0.43 0.00 0.00 0.00 0.00 46.02 45.01 3dkf n GLY 1151CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3dkf s SER 1152N -3.06 6.22 0.15 1.61 0.01 -1.21 0.06 113.70 117.48 3dkf s SER 1152Ca 0.09 -0.92 -0.23 0.00 1.31 0.00 0.00 55.95 56.21 3dkf s SER 1152Cb -0.04 -2.37 -0.08 0.00 0.21 0.00 0.00 66.02 63.74 3dkf s SER 1152CO 0.12 -1.20 0.71 -2.16 0.41 0.00 0.00 173.24 171.12 3dkf s PRO 1153N 3.43 4.42 -0.09 12.44 0.05 -1.26 -1.59 135.00 152.40 3dkf s PRO 1153Ca 0.20 1.00 0.04 0.00 0.05 0.00 0.00 61.00 62.29 3dkf s PRO 1153Cb -0.18 -3.19 -0.00 0.00 0.05 0.00 0.00 34.50 31.18 3dkf s PRO 1153CO 0.12 0.56 -0.23 -0.51 0.05 0.00 0.00 177.00 176.98 3dkf s LEU 1154N -1.28 2.06 -0.21 -3.56 1.43 0.16 -1.33 118.68 115.95 3dkf s LEU 1154Ca 0.35 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.85 3dkf s LEU 1154Cb -0.21 -1.36 -0.03 0.00 0.03 0.00 0.00 46.19 44.62 3dkf s LEU 1154CO 0.23 0.16 0.04 -0.69 0.23 0.00 0.00 176.35 176.33 3dkf s VAL 1155N 0.28 4.32 -0.31 -1.59 1.01 0.56 -0.13 120.40 124.54 3dkf s VAL 1155Ca -0.16 -0.19 -0.06 0.00 0.00 0.00 0.00 61.98 61.57 3dkf s VAL 1155Cb -0.17 -2.97 0.03 0.00 0.00 0.00 0.00 36.38 33.26 3dkf s VAL 1155CO 0.08 0.41 0.08 -0.69 0.00 0.00 0.00 175.10 174.98 3dkf s VAL 1156N 0.98 3.75 0.21 2.92 1.01 -0.41 -0.03 120.40 128.84 3dkf s VAL 1156Ca 0.03 -0.96 0.11 0.00 0.00 0.00 0.00 61.98 61.16 3dkf s VAL 1156Cb -0.14 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.16 3dkf s VAL 1156CO 0.02 -0.04 -0.16 -0.76 0.00 0.00 0.00 175.10 174.16 3dkf s LEU 1157N 1.43 2.72 0.48 3.92 1.43 0.13 -1.20 118.68 127.58 3dkf s LEU 1157Ca 0.00 -0.78 -0.24 0.00 -1.03 0.00 0.00 54.13 52.08 3dkf s LEU 1157Cb -0.18 -1.37 -0.07 0.00 0.03 0.00 0.00 46.19 44.60 3dkf s LEU 1157CO 0.02 0.09 1.37 -2.84 0.23 0.00 0.00 176.35 175.21 3dkf s PRO 1158N -2.99 3.55 0.06 1.29 0.02 -1.26 0.37 135.00 136.04 3dkf s PRO 1158Ca 0.25 2.27 -0.30 0.00 0.02 0.00 0.00 61.00 63.24 3dkf s PRO 1158Cb -0.07 -2.52 -0.05 0.00 0.02 0.00 0.00 34.50 31.88 3dkf s PRO 1158CO 0.14 -0.88 1.12 -0.47 -0.33 0.00 0.00 177.00 176.58 3dkf s TYR 1159N -1.27 3.53 -0.49 6.54 5.04 -1.25 -4.28 117.35 125.17 3dkf s TYR 1159Ca 0.64 1.46 -0.11 0.00 -2.44 0.00 0.00 57.07 56.62 3dkf s TYR 1159Cb -0.41 -3.31 0.12 0.00 0.35 0.00 0.00 41.96 38.72 3dkf s TYR 1159CO 0.51 -0.81 0.38 -1.64 -1.34 0.00 0.00 175.55 172.65 3dkf s MET 1160N 0.87 2.59 0.34 4.97 -1.94 -1.26 -4.86 119.30 120.00 3dkf s MET 1160Ca 0.55 -1.76 0.07 0.00 -1.71 0.00 0.00 55.69 52.84 3dkf s MET 1160Cb -0.27 -4.01 0.76 0.00 2.01 0.00 0.00 34.83 33.32 3dkf s MET 1160CO 0.29 -1.23 1.85 -0.22 -0.01 0.00 0.00 175.02 175.71 3dkf h LYS 1161N 8.54 0.74 -0.57 2.03 3.64 -1.84 -1.74 116.57 127.37 3dkf h LYS 1161Ca -0.23 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3dkf h LYS 1161Cb 1.08 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.73 3dkf h LYS 1161CO 0.90 0.49 0.00 0.72 -2.27 0.00 0.00 179.45 179.29 3dkf n HIS 1162N -4.59 0.75 -4.49 1.91 8.25 -0.50 -4.99 115.22 111.56 3dkf n HIS 1162Ca 0.18 -0.40 0.00 0.00 -0.26 0.00 0.00 57.72 57.25 3dkf n HIS 1162Cb 0.46 -0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.57 3dkf n HIS 1162CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3dkf n GLY 1163N 1.51 0.25 3.82 -1.41 0.00 -0.66 -4.60 105.19 104.11 3dkf n GLY 1163Ca 0.21 -0.88 -0.33 0.00 0.00 0.00 0.00 46.02 45.03 3dkf n GLY 1163CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3dkf s ASP 1164N -4.00 6.90 0.38 1.61 -4.77 -1.26 -0.44 116.67 115.09 3dkf s ASP 1164Ca 0.00 1.67 0.08 0.00 -3.30 0.00 0.00 52.55 51.00 3dkf s ASP 1164Cb 0.00 -2.53 0.75 0.00 -1.09 0.00 0.00 42.92 40.04 3dkf s ASP 1164CO 0.00 -0.39 1.92 0.25 0.70 0.00 0.00 175.17 177.65 3dkf h LEU 1165N 1.79 0.31 0.03 2.11 5.85 -0.44 -2.16 115.31 122.80 3dkf h LEU 1165Ca -0.49 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.17 3dkf h LEU 1165Cb 1.18 -0.08 0.00 0.00 0.37 0.00 0.00 40.66 42.13 3dkf h LEU 1165CO 0.61 0.42 -0.02 -0.09 -0.34 0.00 0.00 178.44 179.03 3dkf h ARG 1166N 0.32 -0.04 -0.16 1.25 2.43 -1.77 -2.39 114.38 114.02 3dkf h ARG 1166Ca 0.07 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.19 3dkf h ARG 1166Cb 0.33 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 3dkf h ARG 1166CO 0.01 0.36 -0.14 -0.91 -1.51 0.00 0.00 179.97 177.79 3dkf h ASN 1167N -0.46 0.24 0.07 -3.80 2.35 -1.87 -1.98 115.58 110.13 3dkf h ASN 1167Ca -0.00 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3dkf h ASN 1167Cb 0.42 -0.06 0.00 0.00 0.05 0.00 0.00 38.32 38.73 3dkf h ASN 1167CO 0.01 0.41 -0.03 0.15 -1.65 0.00 0.00 177.43 176.31 3dkf h PHE 1168N 0.24 -0.09 0.00 1.19 3.57 -1.34 -2.58 116.94 117.94 3dkf h PHE 1168Ca 0.05 -0.00 -0.07 0.00 3.53 0.00 0.00 57.97 61.48 3dkf h PHE 1168Cb 0.40 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 3dkf h PHE 1168CO 0.01 0.00 -0.34 -0.84 -2.23 0.00 0.00 178.31 174.91 3dkf h ILE 1169N -0.15 0.82 0.00 1.41 3.07 -1.24 -2.89 117.51 118.52 3dkf h ILE 1169Ca -0.01 -1.42 -0.04 0.00 1.55 0.00 0.00 64.86 64.94 3dkf h ILE 1169Cb 0.13 1.88 -0.01 0.00 -0.27 0.00 0.00 36.82 38.55 3dkf h ILE 1169CO 0.02 0.33 -0.20 0.03 -1.05 0.00 0.00 178.15 177.28 3dkf h ARG 1170N 0.00 0.00 -6.23 0.16 3.08 -1.24 -3.44 114.38 106.71 3dkf h ARG 1170Ca -0.00 0.00 -0.55 0.00 0.07 0.00 0.00 59.98 59.49 3dkf h ARG 1170Cb 0.85 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 3dkf h ARG 1170CO 0.04 0.20 1.27 1.21 -1.07 0.00 0.00 179.97 181.62 3dkf s ASN 1171N -6.16 6.19 0.53 7.04 3.84 -0.98 -4.86 114.94 120.53 3dkf s ASN 1171Ca 0.02 2.22 0.35 0.00 0.21 0.00 0.00 52.86 55.66 3dkf s ASN 1171Cb 0.09 -2.53 1.64 0.00 -0.55 0.00 0.00 41.25 39.90 3dkf s ASN 1171CO 0.65 -1.32 2.04 1.05 -2.79 0.00 0.00 177.10 176.73 3dkf h GLU 1172N 11.71 0.00 -0.00 0.43 4.11 -1.90 -1.36 114.58 127.58 3dkf h GLU 1172Ca -0.43 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.00 3dkf h GLU 1172Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 3dkf h GLU 1172CO 0.96 0.00 -0.01 0.25 0.07 0.00 0.00 179.01 180.28 3dkf n THR 1173N -2.90 0.00 -3.57 -1.06 -2.24 -1.26 -4.80 114.28 98.45 3dkf n THR 1173Ca -0.01 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.44 3dkf n THR 1173Cb 0.20 -0.48 -0.05 0.00 -2.10 0.00 0.00 70.33 67.90 3dkf n THR 1173CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 3dkf s HIS 1174N -2.73 3.53 -0.55 4.78 3.76 -0.51 -5.05 115.29 118.52 3dkf s HIS 1174Ca 0.23 0.75 0.07 0.00 -0.15 0.00 0.00 55.06 55.96 3dkf s HIS 1174Cb 0.20 -2.14 0.30 0.00 1.11 0.00 0.00 32.58 32.04 3dkf s HIS 1174CO 0.49 0.46 0.79 0.09 -0.85 0.00 0.00 174.74 175.72 3dkf n ASN 1175N 0.54 3.17 -4.77 1.40 3.02 -1.26 -4.97 115.26 112.40 3dkf n ASN 1175Ca -0.05 -3.38 -0.36 0.00 -0.03 0.00 0.00 54.58 50.76 3dkf n ASN 1175Cb 0.52 -0.62 0.01 0.00 -0.61 0.00 0.00 39.78 39.08 3dkf n ASN 1175CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3dkf s PRO 1176N -2.68 3.30 0.44 3.52 0.04 -1.26 -4.93 135.00 133.43 3dkf s PRO 1176Ca 0.43 1.74 0.08 0.00 0.04 0.00 0.00 61.00 63.29 3dkf s PRO 1176Cb 0.23 -2.07 0.01 0.00 0.04 0.00 0.00 34.50 32.72 3dkf s PRO 1176CO -0.08 -0.92 0.56 0.95 0.04 0.00 0.00 177.00 177.54 3dkf s THR 1177N -1.65 2.80 0.25 1.26 -4.23 -1.26 -1.73 115.64 111.08 3dkf s THR 1177Ca 0.73 -1.08 -0.06 0.00 -1.18 0.00 0.00 61.69 60.10 3dkf s THR 1177Cb -0.28 -2.87 0.25 0.00 1.34 0.00 0.00 72.50 70.94 3dkf s THR 1177CO 0.31 0.00 1.91 0.58 -0.54 0.00 0.00 174.62 176.89 3dkf h VAL 1178N 0.66 1.21 -0.41 2.29 2.07 -1.07 -2.41 116.25 118.59 3dkf h VAL 1178Ca -0.39 -0.44 -0.00 0.00 0.82 0.00 0.00 66.70 66.69 3dkf h VAL 1178Cb 1.28 -0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 3dkf h VAL 1178CO 0.47 0.23 0.25 0.50 0.02 0.00 0.00 177.57 179.04 3dkf h LYS 1179N 1.28 0.55 -0.41 1.57 3.64 -1.94 -0.98 116.57 120.29 3dkf h LYS 1179Ca 0.37 -0.05 0.03 0.00 -1.27 0.00 0.00 60.65 59.73 3dkf h LYS 1179Cb -0.09 -0.12 -0.03 0.00 -0.41 0.00 0.00 32.23 31.58 3dkf h LYS 1179CO -0.10 0.41 0.20 -0.44 -2.27 0.00 0.00 179.45 177.25 3dkf h ASP 1180N 0.54 0.29 -0.28 4.20 3.32 -1.87 -0.87 116.42 121.76 3dkf h ASP 1180Ca 0.15 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.08 3dkf h ASP 1180Cb -0.01 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 39.51 3dkf h ASP 1180CO -0.03 0.21 -0.37 -0.07 -1.72 0.00 0.00 179.24 177.27 3dkf h LEU 1181N 0.41 0.81 -0.90 1.55 3.38 -1.17 -1.69 115.31 117.71 3dkf h LEU 1181Ca 0.17 -0.50 -0.03 0.00 0.09 0.00 0.00 57.88 57.62 3dkf h LEU 1181Cb 0.08 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.56 3dkf h LEU 1181CO -0.12 1.15 0.42 0.40 0.09 0.00 0.00 178.44 180.38 3dkf h ILE 1182N 0.49 1.26 -0.53 1.22 2.04 -1.15 -1.87 117.51 118.98 3dkf h ILE 1182Ca 0.03 -0.70 0.05 0.00 1.00 0.00 0.00 64.86 65.24 3dkf h ILE 1182Cb 0.95 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 37.14 3dkf h ILE 1182CO 0.09 0.31 0.26 1.23 0.00 0.00 0.00 178.15 180.03 3dkf h GLY 1183N 1.22 0.74 0.85 5.37 0.00 -0.87 0.19 103.07 110.57 3dkf h GLY 1183Ca 0.29 -0.17 0.03 0.00 0.00 0.00 0.00 47.33 47.49 3dkf h GLY 1183CO -0.04 0.09 0.39 0.74 0.00 0.00 0.00 176.54 177.73 3dkf h PHE 1184N 0.49 0.74 -0.48 5.60 0.05 -0.93 -0.79 116.94 121.61 3dkf h PHE 1184Ca 0.24 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 62.04 3dkf h PHE 1184Cb 0.17 -0.24 -0.02 0.00 2.00 0.00 0.00 35.95 37.86 3dkf h PHE 1184CO -0.11 0.41 0.27 0.78 -0.18 0.00 0.00 178.31 179.49 3dkf h GLY 1185N 0.77 0.71 0.82 -1.45 0.00 -0.64 -1.29 103.07 101.99 3dkf h GLY 1185Ca 0.26 -0.31 0.03 0.00 0.00 0.00 0.00 47.33 47.30 3dkf h GLY 1185CO -0.11 0.30 0.16 -2.00 0.00 0.00 0.00 176.54 174.89 3dkf h LEU 1186N 0.64 0.23 -0.75 3.11 5.85 -0.36 -1.20 115.31 122.84 3dkf h LEU 1186Ca 0.17 0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.95 3dkf h LEU 1186Cb 0.03 -0.02 -0.05 0.00 0.37 0.00 0.00 40.66 40.99 3dkf h LEU 1186CO -0.03 0.18 0.46 1.56 -0.34 0.00 0.00 178.44 180.27 3dkf h GLN 1187N 0.34 0.85 -0.53 1.25 4.20 -0.77 -1.18 115.11 119.28 3dkf h GLN 1187Ca 0.15 -0.05 -0.01 0.00 0.06 0.00 0.00 58.65 58.80 3dkf h GLN 1187Cb 0.07 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.63 3dkf h GLN 1187CO -0.11 0.56 0.30 0.28 -0.67 0.00 0.00 178.83 179.20 3dkf h VAL 1188N 0.88 1.17 -0.95 -0.54 2.07 -0.80 -1.38 116.25 116.69 3dkf h VAL 1188Ca 0.31 -0.41 0.04 0.00 0.82 0.00 0.00 66.70 67.46 3dkf h VAL 1188Cb 0.08 0.49 -0.06 0.00 -1.52 0.00 0.00 31.29 30.28 3dkf h VAL 1188CO -0.14 0.18 0.62 0.00 0.02 0.00 0.00 177.57 178.25 3dkf h ALA 1189N 1.14 1.27 -0.42 1.67 0.00 -0.79 0.58 119.26 122.71 3dkf h ALA 1189Ca 0.19 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 55.02 3dkf h ALA 1189Cb 0.02 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 3dkf h ALA 1189CO -0.03 0.49 0.11 0.87 0.00 0.00 0.00 179.25 180.69 3dkf h LYS 1190N 1.20 0.67 -0.55 0.00 1.57 -0.77 0.28 116.57 118.97 3dkf h LYS 1190Ca 0.38 -0.16 0.02 0.00 -1.87 0.00 0.00 60.65 59.02 3dkf h LYS 1190Cb 0.02 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 3dkf h LYS 1190CO -0.13 0.68 0.34 0.78 -0.57 0.00 0.00 179.45 180.55 3dkf h GLY 1191N 0.55 0.78 1.60 3.86 0.00 -0.83 -2.06 103.07 106.96 3dkf h GLY 1191Ca 0.13 -0.26 -0.14 0.00 0.00 0.00 0.00 47.33 47.06 3dkf h GLY 1191CO 0.00 0.23 -0.52 -0.33 0.00 0.00 0.00 176.54 175.92 3dkf h MET 1192N 0.68 0.43 -0.19 4.80 2.86 -0.64 -1.15 114.93 121.71 3dkf h MET 1192Ca 0.22 -0.26 0.04 0.00 -2.06 0.00 0.00 59.70 57.64 3dkf h MET 1192Cb -0.01 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.64 3dkf h MET 1192CO -0.08 0.84 -0.02 -0.22 1.06 0.00 0.00 176.91 178.49 3dkf h LYS 1193N 0.33 0.03 0.12 1.72 3.64 -0.27 0.20 116.57 122.35 3dkf h LYS 1193Ca 0.01 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 3dkf h LYS 1193Cb 1.02 -0.01 -0.04 0.00 -0.41 0.00 0.00 32.23 32.80 3dkf h LYS 1193CO 0.09 0.02 -0.31 0.35 -2.27 0.00 0.00 179.45 177.33 3dkf h PHE 1194N 0.03 -0.83 -0.99 1.91 3.57 -1.15 -2.02 116.94 117.46 3dkf h PHE 1194Ca 0.09 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.65 3dkf h PHE 1194Cb 0.13 0.35 -0.06 0.00 2.79 0.00 0.00 35.95 39.16 3dkf h PHE 1194CO -0.19 -0.41 0.65 -0.07 -2.23 0.00 0.00 178.31 176.05 3dkf h LEU 1195N -0.53 1.07 -1.05 0.59 3.38 -0.89 -1.07 115.31 116.81 3dkf h LEU 1195Ca 0.03 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 3dkf h LEU 1195Cb 0.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 3dkf h LEU 1195CO -0.18 0.72 -0.06 0.00 0.09 0.00 0.00 178.44 179.02 3dkf h ALA 1196N 1.43 1.21 0.00 1.53 0.00 -0.50 -1.71 119.26 121.23 3dkf h ALA 1196Ca 0.40 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3dkf h ALA 1196Cb 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 17.67 3dkf h ALA 1196CO -0.13 0.52 0.00 0.66 0.00 0.00 0.00 179.25 180.29 3dkf h SER 1197N 0.57 0.00 -0.53 0.00 4.64 -0.44 -0.30 113.55 117.49 3dkf h SER 1197Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3dkf h SER 1197Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3dkf h SER 1197CO 0.02 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.27 3dkf n LYS 1198N -2.91 2.81 -2.26 4.77 4.76 -0.89 -4.93 118.16 119.51 3dkf n LYS 1198Ca 0.00 -2.15 -0.18 0.00 -2.87 0.00 0.00 58.31 53.12 3dkf n LYS 1198Cb 0.23 -1.63 -0.02 0.00 -1.84 0.00 0.00 35.03 31.77 3dkf n LYS 1198CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 3dkf n LYS 1199N 0.95 -1.81 -3.65 1.97 4.76 -0.12 -4.96 118.16 115.30 3dkf n LYS 1199Ca 0.20 0.88 -0.36 0.00 -2.87 0.00 0.00 58.31 56.16 3dkf n LYS 1199Cb 0.63 -5.47 -0.08 0.00 -1.84 0.00 0.00 35.03 28.26 3dkf n LYS 1199CO 0.00 0.00 0.00 0.12 -1.37 0.00 0.00 177.40 176.15 3dkf s PHE 1200N -2.81 3.41 -0.24 2.13 5.36 -0.69 -5.02 117.98 120.12 3dkf s PHE 1200Ca 0.00 0.41 -0.08 0.00 -0.96 0.00 0.00 56.93 56.30 3dkf s PHE 1200Cb 0.00 -2.24 -0.04 0.00 -0.34 0.00 0.00 43.02 40.40 3dkf s PHE 1200CO 0.00 0.23 0.10 0.08 -1.46 0.00 0.00 175.22 174.17 3dkf s VAL 1201N 0.52 4.68 -0.00 3.12 1.01 -1.26 -4.05 120.40 124.42 3dkf s VAL 1201Ca 0.11 -0.05 -0.22 0.00 0.00 0.00 0.00 61.98 61.81 3dkf s VAL 1201Cb -0.12 -3.18 -0.19 0.00 0.00 0.00 0.00 36.38 32.89 3dkf s VAL 1201CO 0.01 0.35 1.20 -0.74 0.00 0.00 0.00 175.10 175.92 3dkf h HIS 1202N 7.84 0.33 0.00 5.22 2.76 -1.96 -3.47 115.15 125.87 3dkf h HIS 1202Ca -0.37 -0.13 0.00 0.00 -2.20 0.00 0.00 60.37 57.67 3dkf h HIS 1202Cb 1.18 -0.06 0.00 0.00 1.55 0.00 0.00 27.41 30.08 3dkf h HIS 1202CO 0.66 0.82 0.00 0.54 -1.30 0.00 0.00 177.93 178.66 3dkf n ARG 1203N -4.54 0.00 -2.74 5.26 1.74 -1.26 -4.72 116.66 110.40 3dkf n ARG 1203Ca -0.08 0.00 -0.04 0.00 -0.77 0.00 0.00 57.85 56.96 3dkf n ARG 1203Cb 0.43 -1.68 0.04 0.00 -1.02 0.00 0.00 32.46 30.24 3dkf n ARG 1203CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 3dkf n ASP 1204N 0.00 1.86 -4.68 0.55 -0.08 -1.26 -4.94 116.55 107.99 3dkf n ASP 1204Ca 0.00 -2.31 -0.42 0.00 -1.51 0.00 0.00 54.79 50.55 3dkf n ASP 1204Cb 0.00 -0.48 -0.03 0.00 2.34 0.00 0.00 41.12 42.95 3dkf n ASP 1204CO 0.00 0.00 0.00 -0.22 0.12 0.00 0.00 177.20 177.10 3dkf s LEU 1205N -3.66 4.31 0.01 -2.67 2.96 -1.26 -4.80 118.68 113.56 3dkf s LEU 1205Ca 0.29 2.13 -0.28 0.00 -0.22 0.00 0.00 54.13 56.05 3dkf s LEU 1205Cb 0.35 -3.55 0.10 0.00 0.50 0.00 0.00 46.19 43.59 3dkf s LEU 1205CO -0.02 -0.77 0.83 0.00 -1.32 0.00 0.00 176.35 175.07 3dkf s ALA 1206N 2.75 -1.79 0.36 5.97 0.00 -1.26 -4.71 121.76 123.08 3dkf s ALA 1206Ca 0.65 1.00 0.04 0.00 0.00 0.00 0.00 51.96 53.65 3dkf s ALA 1206Cb -0.32 0.35 0.69 0.00 0.00 0.00 0.00 23.12 23.84 3dkf s ALA 1206CO 0.26 -0.64 1.99 0.00 0.00 0.00 0.00 175.76 177.38 3dkf h ALA 1207N 2.14 1.62 -0.00 0.00 0.00 -1.93 -0.43 119.26 120.66 3dkf h ALA 1207Ca -0.24 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.63 3dkf h ALA 1207Cb 1.24 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.80 3dkf h ALA 1207CO 0.33 0.31 0.00 0.07 0.00 0.00 0.00 179.25 179.96 3dkf h ARG 1208N 0.81 0.00 -0.46 0.00 0.11 -1.94 -2.71 114.38 110.18 3dkf h ARG 1208Ca 0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.35 3dkf h ARG 1208Cb 0.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.15 3dkf h ARG 1208CO -0.07 0.00 0.00 0.09 0.10 0.00 0.00 179.97 180.09 3dkf n ASN 1209N -3.21 3.34 -4.57 0.08 3.02 -0.18 -4.72 115.26 109.02 3dkf n ASN 1209Ca -0.03 -1.95 -0.30 0.00 -0.03 0.00 0.00 54.58 52.27 3dkf n ASN 1209Cb 0.07 -0.30 -0.10 0.00 -0.61 0.00 0.00 39.78 38.84 3dkf n ASN 1209CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3dkf s MET 1211N -2.19 1.36 -0.09 0.00 -1.94 -0.08 -0.09 119.30 116.27 3dkf s MET 1211Ca 0.21 -1.63 0.03 0.00 -1.71 0.00 0.00 55.69 52.59 3dkf s MET 1211Cb -0.11 -1.05 0.01 0.00 2.01 0.00 0.00 34.83 35.68 3dkf s MET 1211CO 0.13 0.13 -0.17 -0.51 -0.01 0.00 0.00 175.02 174.59 3dkf s LEU 1212N -3.33 1.83 0.00 -0.03 1.43 0.42 -0.33 118.68 118.67 3dkf s LEU 1212Ca 0.24 -0.43 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 3dkf s LEU 1212Cb 0.01 -1.11 0.08 0.00 0.03 0.00 0.00 46.19 45.21 3dkf s LEU 1212CO 0.08 0.08 0.59 -0.90 0.23 0.00 0.00 176.35 176.42 3dkf n ASP 1213N 3.80 0.94 0.23 2.29 5.68 -0.77 -1.41 116.55 127.31 3dkf n ASP 1213Ca -0.21 -1.76 0.16 0.00 -0.50 0.00 0.00 54.79 52.48 3dkf n ASP 1213Cb 0.52 -0.37 0.75 0.00 -1.14 0.00 0.00 41.12 40.88 3dkf n ASP 1213CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 3dkf h GLU 1214N 0.00 0.00 -0.65 0.11 9.09 -1.90 -0.34 114.58 120.89 3dkf h GLU 1214Ca -0.20 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.21 3dkf h GLU 1214Cb 0.76 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.86 3dkf h GLU 1214CO 0.22 0.00 0.00 1.63 0.05 0.00 0.00 179.01 180.91 3dkf n LYS 1215N -2.68 2.62 -2.79 1.06 5.02 -1.26 -4.92 118.16 115.20 3dkf n LYS 1215Ca -0.00 -2.38 -0.21 0.00 -2.02 0.00 0.00 58.31 53.70 3dkf n LYS 1215Cb 0.17 -1.54 0.02 0.00 -0.02 0.00 0.00 35.03 33.65 3dkf n LYS 1215CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 3dkf n PHE 1216N 1.37 -1.60 -3.08 2.13 3.01 -0.14 -4.98 117.46 114.18 3dkf n PHE 1216Ca 0.22 0.31 -0.40 0.00 1.01 0.00 0.00 57.45 58.59 3dkf n PHE 1216Cb 0.58 -4.17 -0.05 0.00 -0.01 0.00 0.00 39.48 35.83 3dkf n PHE 1216CO 0.00 0.00 0.00 0.99 1.01 0.00 0.00 176.76 178.76 3dkf s THR 1217N -3.09 5.02 0.13 4.37 2.01 -1.26 -4.85 115.64 117.97 3dkf s THR 1217Ca 0.19 1.32 -0.27 0.00 0.31 0.00 0.00 61.69 63.23 3dkf s THR 1217Cb -0.08 -3.99 -0.07 0.00 0.01 0.00 0.00 72.50 68.36 3dkf s THR 1217CO 0.23 0.16 0.86 -0.69 -0.69 0.00 0.00 174.62 174.49 3dkf s VAL 1218N 1.46 4.44 -0.20 3.82 1.01 -1.26 -1.86 120.40 127.81 3dkf s VAL 1218Ca 0.33 1.87 0.01 0.00 0.00 0.00 0.00 61.98 64.19 3dkf s VAL 1218Cb -0.16 -4.22 0.03 0.00 0.00 0.00 0.00 36.38 32.03 3dkf s VAL 1218CO 0.13 0.42 -0.15 -0.54 0.00 0.00 0.00 175.10 174.96 3dkf s LYS 1219N -0.56 2.52 0.09 2.72 -0.14 0.54 -4.33 119.74 120.59 3dkf s LYS 1219Ca 0.41 -0.92 -0.31 0.00 -1.36 0.00 0.00 55.97 53.79 3dkf s LYS 1219Cb -0.23 -2.55 -0.09 0.00 -1.68 0.00 0.00 37.83 33.27 3dkf s LYS 1219CO 0.28 -0.35 1.72 0.08 -0.76 0.00 0.00 175.35 176.32 3dkf s VAL 1220N 1.29 2.82 0.00 3.17 1.01 0.15 -0.91 120.40 127.94 3dkf s VAL 1220Ca 0.00 0.32 0.00 0.00 0.00 0.00 0.00 61.98 62.30 3dkf s VAL 1220Cb -0.15 -3.20 0.00 0.00 0.00 0.00 0.00 36.38 33.02 3dkf s VAL 1220CO -0.10 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.00 3dkf n ALA 1221N 5.54 0.00 -3.77 5.51 0.00 -0.60 -0.55 120.51 126.64 3dkf n ALA 1221Ca 0.16 0.00 -0.28 0.00 0.00 0.00 0.00 53.44 53.32 3dkf n ALA 1221Cb 0.39 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.87 3dkf n ALA 1221CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3dkf n ASP 1222N 0.00 -3.17 -3.87 0.00 4.64 -1.25 -4.84 116.55 108.06 3dkf n ASP 1222Ca 0.00 -0.99 -0.09 0.00 -1.38 0.00 0.00 54.79 52.33 3dkf n ASP 1222Cb 0.00 -3.38 -0.06 0.00 -1.04 0.00 0.00 41.12 36.64 3dkf n ASP 1222CO 0.00 0.00 0.00 0.72 -0.82 0.00 0.00 177.20 177.10 3dkf s PHE 1223N -3.65 0.20 0.00 -0.67 -0.12 -1.26 -4.55 117.98 107.93 3dkf s PHE 1223Ca 0.26 -0.57 0.00 0.00 -0.05 0.00 0.00 56.93 56.58 3dkf s PHE 1223Cb -0.09 0.08 0.00 0.00 -0.63 0.00 0.00 43.02 42.37 3dkf s PHE 1223CO 0.86 -0.75 0.00 0.41 -0.05 0.00 0.00 175.22 175.69 3dkf n GLY 1224N -0.23 3.40 0.12 1.99 0.00 -1.26 -1.34 105.19 107.87 3dkf n GLY 1224Ca -0.09 -0.01 0.11 0.00 0.00 0.00 0.00 46.02 46.03 3dkf n GLY 1224CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3dkf n LEU 1225N 0.00 0.60 -0.49 0.99 4.77 -1.26 -2.15 117.00 119.46 3dkf n LEU 1225Ca 0.00 0.65 0.13 0.00 -0.03 0.00 0.00 56.01 56.76 3dkf n LEU 1225Cb 0.00 -0.56 0.31 0.00 -2.33 0.00 0.00 43.42 40.83 3dkf n LEU 1225CO 0.00 -0.52 0.66 0.00 -1.33 0.00 0.00 177.39 176.19 3dkf n ALA 1226N -1.75 2.89 -1.70 -1.18 0.00 -0.45 -4.95 120.51 113.37 3dkf n ALA 1226Ca 0.02 -0.51 -0.42 0.00 0.00 0.00 0.00 53.44 52.53 3dkf n ALA 1226Cb 0.23 -1.03 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 3dkf n ALA 1226CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dkf n ARG 1227N 0.08 2.79 -3.81 0.00 3.00 -0.91 -4.32 116.66 113.49 3dkf n ARG 1227Ca 0.14 1.01 -0.01 0.00 -0.00 0.00 0.00 57.85 59.00 3dkf n ARG 1227Cb 0.42 -2.89 0.01 0.00 0.00 0.00 0.00 32.46 29.99 3dkf n ARG 1227CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 3dkf s ASP 1228N 2.24 -0.04 -0.28 6.15 -1.08 -1.26 -4.94 116.67 117.46 3dkf s ASP 1228Ca 0.80 -0.37 -0.10 0.00 -0.52 0.00 0.00 52.55 52.35 3dkf s ASP 1228Cb -0.49 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.25 3dkf s ASP 1228CO 0.36 -0.63 0.17 -0.04 0.52 0.00 0.00 175.17 175.55 3dkf s MET 1229N -2.40 3.83 -0.13 4.34 -1.94 -1.26 -5.03 119.30 116.70 3dkf s MET 1229Ca 0.20 -0.39 0.16 0.00 -1.71 0.00 0.00 55.69 53.95 3dkf s MET 1229Cb 0.00 -3.61 0.63 0.00 2.01 0.00 0.00 34.83 33.86 3dkf s MET 1229CO 0.01 -0.22 1.55 0.66 -0.01 0.00 0.00 175.02 177.01 3dkf n TYR 1230N 5.04 1.31 -1.52 -0.03 4.02 -1.26 -3.01 117.16 121.70 3dkf n TYR 1230Ca -0.14 -0.68 -0.00 0.00 -0.01 0.00 0.00 57.90 57.07 3dkf n TYR 1230Cb 0.52 -0.27 0.00 0.00 -0.02 0.00 0.00 39.34 39.56 3dkf n TYR 1230CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 176.86 176.21 3dkf n LYS 1244N 0.58 -0.04 -1.71 -0.72 -0.00 -1.26 -5.00 118.16 110.00 3dkf n LYS 1244Ca 0.23 0.53 -0.38 0.00 -0.00 0.00 0.00 58.31 58.69 3dkf n LYS 1244Cb 0.87 -1.54 0.06 0.00 -0.00 0.00 0.00 35.03 34.42 3dkf n LYS 1244CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3dkf n LEU 1245N -0.47 5.54 -3.62 -5.58 4.77 -1.26 -4.89 117.00 111.49 3dkf n LEU 1245Ca 0.00 0.87 -0.41 0.00 -0.03 0.00 0.00 56.01 56.44 3dkf n LEU 1245Cb 0.01 -1.53 -0.01 0.00 -2.33 0.00 0.00 43.42 39.55 3dkf n LEU 1245CO 0.01 -1.03 2.78 -0.81 -1.33 0.00 0.00 177.39 177.02 3dkf n PRO 1246N -1.52 3.26 0.08 3.23 -0.04 -1.26 -4.77 135.00 133.98 3dkf n PRO 1246Ca 0.14 -2.64 0.10 0.00 -0.04 0.00 0.00 63.50 61.06 3dkf n PRO 1246Cb 0.47 -3.08 0.57 0.00 -0.04 0.00 0.00 33.50 31.42 3dkf n PRO 1246CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3dkf h VAL 1247N 3.63 0.95 0.00 0.52 -1.51 -1.94 -1.53 116.25 116.37 3dkf h VAL 1247Ca 0.64 -0.07 0.00 0.00 -1.23 0.00 0.00 66.70 66.04 3dkf h VAL 1247Cb 0.53 0.73 0.00 0.00 -2.13 0.00 0.00 31.29 30.42 3dkf h VAL 1247CO 1.81 0.04 0.00 0.29 -1.23 0.00 0.00 177.57 178.48 3dkf n LYS 1248N -4.48 0.05 0.00 5.19 5.02 -1.26 -2.11 118.16 120.56 3dkf n LYS 1248Ca 0.03 0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.55 3dkf n LYS 1248Cb 0.24 -1.56 -0.00 0.00 -0.02 0.00 0.00 35.03 33.68 3dkf n LYS 1248CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 3dkf n TRP 1249N -1.64 0.00 -3.31 2.13 8.01 -0.58 -5.00 117.44 117.04 3dkf n TRP 1249Ca 0.06 0.00 -0.38 0.00 -1.31 0.00 0.00 57.50 55.86 3dkf n TRP 1249Cb 0.30 0.00 -0.06 0.00 -2.01 0.00 0.00 31.31 29.54 3dkf n TRP 1249CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.69 175.04 3dkf s MET 1250N -2.44 4.17 0.61 -0.99 -1.94 -0.90 -3.33 119.30 114.48 3dkf s MET 1250Ca 0.19 0.67 -0.18 0.00 -1.71 0.00 0.00 55.69 54.65 3dkf s MET 1250Cb 0.18 -3.25 -0.03 0.00 2.01 0.00 0.00 34.83 33.74 3dkf s MET 1250CO 0.56 0.61 1.21 0.00 -0.01 0.00 0.00 175.02 177.39 3dkf s ALA 1251N -0.96 2.49 0.20 3.03 0.00 -1.26 -4.82 121.76 120.43 3dkf s ALA 1251Ca 0.28 1.00 -0.14 0.00 0.00 0.00 0.00 51.96 53.11 3dkf s ALA 1251Cb -0.19 -3.46 0.21 0.00 0.00 0.00 0.00 23.12 19.68 3dkf s ALA 1251CO 0.18 -1.27 1.65 -0.07 0.00 0.00 0.00 175.76 176.25 3dkf h LEU 1252N 0.72 -0.39 -1.52 0.00 3.38 -1.95 -0.92 115.31 114.62 3dkf h LEU 1252Ca -0.50 0.15 -0.04 0.00 0.09 0.00 0.00 57.88 57.58 3dkf h LEU 1252Cb 1.30 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 42.34 3dkf h LEU 1252CO 0.54 -0.14 -0.17 1.05 0.09 0.00 0.00 178.44 179.81 3dkf h GLU 1253N 0.05 0.10 -0.08 1.13 9.09 -1.92 -2.55 114.58 120.41 3dkf h GLU 1253Ca 0.27 -0.02 -0.17 0.00 0.05 0.00 0.00 59.36 59.49 3dkf h GLU 1253Cb 0.43 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 3dkf h GLU 1253CO -0.52 0.27 -0.70 0.77 0.05 0.00 0.00 179.01 178.88 3dkf h SER 1254N 0.09 0.42 0.22 3.06 0.02 -1.35 0.98 113.55 117.00 3dkf h SER 1254Ca 0.02 -0.27 -0.07 0.00 -0.84 0.00 0.00 61.79 60.63 3dkf h SER 1254Cb 0.36 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.76 3dkf h SER 1254CO 0.02 0.99 -0.28 -0.07 -1.14 0.00 0.00 176.83 176.36 3dkf h LEU 1255N 0.25 0.09 0.06 5.07 3.38 -0.90 -0.89 115.31 122.37 3dkf h LEU 1255Ca -0.02 -0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.55 3dkf h LEU 1255Cb 1.26 -0.02 -0.04 0.00 0.09 0.00 0.00 40.66 41.94 3dkf h LEU 1255CO 0.12 0.37 -2.16 0.00 0.09 0.00 0.00 178.44 176.86 3dkf n GLN 1256N -4.18 0.71 0.00 1.13 6.02 -1.00 -4.54 117.38 115.52 3dkf n GLN 1256Ca -0.02 0.21 0.05 0.00 -0.01 0.00 0.00 57.00 57.23 3dkf n GLN 1256Cb 0.35 -1.64 -0.05 0.00 1.02 0.00 0.00 30.24 29.92 3dkf n GLN 1256CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.06 176.30 3dkf n THR 1257N -3.31 0.00 -1.32 5.09 -2.24 0.33 -4.99 114.28 107.84 3dkf n THR 1257Ca -0.35 -0.28 -0.11 0.00 -2.27 0.00 0.00 64.05 61.04 3dkf n THR 1257Cb 1.04 1.03 -0.05 0.00 -2.10 0.00 0.00 70.33 70.25 3dkf n THR 1257CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dkf n GLN 1258N -1.01 -1.23 -4.08 -0.78 1.13 -0.34 -4.99 117.38 106.08 3dkf n GLN 1258Ca 0.03 0.85 -0.36 0.00 -1.94 0.00 0.00 57.00 55.57 3dkf n GLN 1258Cb 0.18 -5.01 -0.08 0.00 0.11 0.00 0.00 30.24 25.45 3dkf n GLN 1258CO 0.00 0.00 0.00 0.15 -1.44 0.00 0.00 177.06 175.77 3dkf s LYS 1259N -2.77 3.28 -0.02 -1.09 3.01 -1.26 -5.03 119.74 115.86 3dkf s LYS 1259Ca 0.00 -0.25 0.08 0.00 -1.01 0.00 0.00 55.97 54.79 3dkf s LYS 1259Cb 0.00 -3.03 -0.02 0.00 -1.01 0.00 0.00 37.83 33.77 3dkf s LYS 1259CO 0.00 0.73 -0.25 -0.06 0.51 0.00 0.00 175.35 176.27 3dkf s PHE 1260N -0.91 2.28 0.28 3.18 0.40 -1.26 -4.02 117.98 117.94 3dkf s PHE 1260Ca 0.14 -0.47 0.03 0.00 -0.60 0.00 0.00 56.93 56.04 3dkf s PHE 1260Cb -0.12 -1.47 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 3dkf s PHE 1260CO 0.03 -0.06 0.20 0.95 0.70 0.00 0.00 175.22 177.04 3dkf s THR 1261N -0.53 0.08 0.36 0.64 -4.23 -1.26 -5.00 115.64 105.70 3dkf s THR 1261Ca 0.08 -2.00 0.05 0.00 -1.18 0.00 0.00 61.69 58.64 3dkf s THR 1261Cb -0.10 -2.50 0.28 0.00 1.34 0.00 0.00 72.50 71.52 3dkf s THR 1261CO -0.00 0.00 1.98 0.74 -0.54 0.00 0.00 174.62 176.80 3dkf h THR 1262N 2.31 1.07 0.00 3.99 2.02 -1.97 -1.27 112.91 119.06 3dkf h THR 1262Ca -0.31 -0.27 -0.06 0.00 0.77 0.00 0.00 66.41 66.55 3dkf h THR 1262Cb 1.24 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.87 3dkf h THR 1262CO 0.46 0.14 -0.26 0.11 0.37 0.00 0.00 175.52 176.34 3dkf h LYS 1263N 0.78 0.00 0.00 6.66 1.79 -1.95 -0.74 116.57 123.11 3dkf h LYS 1263Ca 0.28 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.56 3dkf h LYS 1263Cb 0.13 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 30.75 3dkf h LYS 1263CO -0.08 0.26 -0.92 0.66 -1.08 0.00 0.00 179.45 178.29 3dkf h SER 1264N 0.00 0.00 -0.66 0.86 4.64 -1.73 -2.83 113.55 113.83 3dkf h SER 1264Ca -0.00 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.29 3dkf h SER 1264Cb 0.58 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.64 3dkf h SER 1264CO 0.03 0.92 0.32 0.44 -0.87 0.00 0.00 176.83 177.67 3dkf h ASP 1265N 0.00 0.89 -0.80 4.97 3.32 -0.58 -2.42 116.42 121.80 3dkf h ASP 1265Ca -0.01 -0.10 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 3dkf h ASP 1265Cb 1.64 -0.23 -0.04 0.00 0.22 0.00 0.00 39.33 40.93 3dkf h ASP 1265CO 0.12 0.76 0.43 0.58 -1.72 0.00 0.00 179.24 179.41 3dkf h VAL 1266N 0.97 1.24 -0.10 -1.35 2.07 -1.07 0.90 116.25 118.91 3dkf h VAL 1266Ca 0.24 -0.62 0.04 0.00 0.82 0.00 0.00 66.70 67.18 3dkf h VAL 1266Cb 0.12 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 30.02 3dkf h VAL 1266CO -0.03 0.27 -0.18 -0.25 0.02 0.00 0.00 177.57 177.40 3dkf h TRP 1267N 1.12 -0.47 -0.83 1.57 2.91 -1.23 -1.63 115.95 117.39 3dkf h TRP 1267Ca 0.28 0.02 0.04 0.00 1.13 0.00 0.00 58.89 60.37 3dkf h TRP 1267Cb 0.05 0.22 -0.05 0.00 -0.51 0.00 0.00 29.16 28.87 3dkf h TRP 1267CO 0.01 -0.26 0.52 0.77 -1.03 0.00 0.00 178.44 178.45 3dkf h SER 1268N -0.24 0.84 -0.73 2.65 0.02 -1.14 -2.02 113.55 112.93 3dkf h SER 1268Ca 0.09 0.01 0.06 0.00 -0.84 0.00 0.00 61.79 61.10 3dkf h SER 1268Cb 0.37 -0.18 -0.06 0.00 0.14 0.00 0.00 62.40 62.68 3dkf h SER 1268CO -0.24 0.56 0.42 0.15 -1.14 0.00 0.00 176.83 176.58 3dkf h PHE 1269N 0.99 0.78 -0.92 3.45 3.04 -0.47 0.77 116.94 124.58 3dkf h PHE 1269Ca 0.34 0.03 0.06 0.00 3.98 0.00 0.00 57.97 62.38 3dkf h PHE 1269Cb 0.08 -0.25 -0.06 0.00 2.56 0.00 0.00 35.95 38.28 3dkf h PHE 1269CO -0.03 0.39 0.58 0.78 -2.02 0.00 0.00 178.31 178.01 3dkf h GLY 1270N 0.78 1.39 1.07 2.40 0.00 -0.59 0.87 103.07 108.99 3dkf h GLY 1270Ca 0.32 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.14 3dkf h GLY 1270CO -0.17 0.29 0.04 -2.08 0.00 0.00 0.00 176.54 174.62 3dkf h VAL 1271N 1.05 1.26 -0.79 4.60 2.07 -0.87 -2.13 116.25 121.45 3dkf h VAL 1271Ca 0.40 -1.10 0.03 0.00 0.82 0.00 0.00 66.70 66.85 3dkf h VAL 1271Cb 0.17 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 3dkf h VAL 1271CO -0.17 0.40 0.50 0.25 0.02 0.00 0.00 177.57 178.57 3dkf h LEU 1272N 0.97 0.83 -0.91 2.57 6.46 -0.22 -0.04 115.31 124.97 3dkf h LEU 1272Ca 0.18 -0.00 0.02 0.00 -0.12 0.00 0.00 57.88 57.96 3dkf h LEU 1272Cb 0.51 -0.18 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 3dkf h LEU 1272CO 0.02 0.57 0.60 -0.07 -0.62 0.00 0.00 178.44 178.94 3dkf h LEU 1273N 0.97 1.02 -0.52 2.25 3.38 -0.65 0.35 115.31 122.11 3dkf h LEU 1273Ca 0.31 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.25 3dkf h LEU 1273Cb 0.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3dkf h LEU 1273CO -0.11 0.73 0.27 -0.25 0.09 0.00 0.00 178.44 179.16 3dkf h TRP 1274N 1.20 0.73 -0.54 1.13 7.01 -0.71 -1.62 115.95 123.15 3dkf h TRP 1274Ca 0.34 -0.03 0.05 0.00 2.11 0.00 0.00 58.89 61.37 3dkf h TRP 1274Cb -0.09 -0.23 -0.05 0.00 -2.10 0.00 0.00 29.16 26.69 3dkf h TRP 1274CO -0.01 0.56 0.27 0.93 -2.79 0.00 0.00 178.44 177.40 3dkf h GLU 1275N 0.69 0.50 -0.04 2.65 5.08 -0.54 -2.16 114.58 120.77 3dkf h GLU 1275Ca 0.18 -0.03 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3dkf h GLU 1275Cb 0.09 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.19 3dkf h GLU 1275CO -0.03 0.33 -0.14 -0.07 -1.00 0.00 0.00 179.01 178.10 3dkf h LEU 1276N 0.51 -0.42 -0.48 1.33 3.38 -0.63 0.30 115.31 119.30 3dkf h LEU 1276Ca 0.24 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.28 3dkf h LEU 1276Cb 0.17 0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.11 3dkf h LEU 1276CO -0.18 -0.19 0.00 0.24 0.09 0.00 0.00 178.44 178.40 3dkf h MET 1277N -0.22 0.00 -0.25 1.13 2.86 -1.03 -1.80 114.93 115.61 3dkf h MET 1277Ca 0.06 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.70 3dkf h MET 1277Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3dkf h MET 1277CO -0.17 0.00 0.00 0.25 1.06 0.00 0.00 176.91 178.05 3dkf n THR 1278N -2.51 0.32 -3.72 2.22 -2.24 -0.83 -4.56 114.28 102.95 3dkf n THR 1278Ca 0.03 -0.60 -0.23 0.00 -2.27 0.00 0.00 64.05 60.99 3dkf n THR 1278Cb 0.36 0.96 0.04 0.00 -2.10 0.00 0.00 70.33 69.59 3dkf n THR 1278CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3dkf n ARG 1279N 1.20 -5.34 -1.44 -0.78 1.74 -0.68 -3.66 116.66 107.69 3dkf n ARG 1279Ca 0.18 0.64 0.00 0.00 -0.77 0.00 0.00 57.85 57.90 3dkf n ARG 1279Cb 0.55 -5.34 0.00 0.00 -1.02 0.00 0.00 32.46 26.65 3dkf n ARG 1279CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dkf n GLY 1280N -1.59 0.65 3.76 -0.13 0.00 0.10 -3.75 105.19 104.24 3dkf n GLY 1280Ca -0.21 -0.75 -0.38 0.00 0.00 0.00 0.00 46.02 44.69 3dkf n GLY 1280CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dkf s ALA 1281N -2.00 2.95 0.12 4.61 0.00 -1.24 -4.97 121.76 121.22 3dkf s ALA 1281Ca 0.00 1.12 -0.31 0.00 0.00 0.00 0.00 51.96 52.77 3dkf s ALA 1281Cb 0.00 -3.46 -0.08 0.00 0.00 0.00 0.00 23.12 19.58 3dkf s ALA 1281CO 0.00 -0.94 1.33 -1.25 0.00 0.00 0.00 175.76 174.90 3dkf s PRO 1282N -2.72 4.36 0.57 0.00 0.04 -1.26 -4.79 135.00 131.19 3dkf s PRO 1282Ca 0.66 2.00 -0.19 0.00 0.04 0.00 0.00 61.00 63.50 3dkf s PRO 1282Cb -0.34 -3.26 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 3dkf s PRO 1282CO 0.41 -0.36 1.17 -1.25 0.04 0.00 0.00 177.00 177.01 3dkf s PRO 1283N 0.89 3.16 -1.27 0.56 0.04 -1.26 -3.50 135.00 133.62 3dkf s PRO 1283Ca 0.62 1.71 -0.18 0.00 0.04 0.00 0.00 61.00 63.20 3dkf s PRO 1283Cb -0.35 -1.97 0.01 0.00 0.04 0.00 0.00 34.50 32.23 3dkf s PRO 1283CO 0.31 -1.02 0.58 0.66 0.04 0.00 0.00 177.00 177.57 3dkf n TYR 1284N -1.45 -1.62 -0.33 0.56 4.01 -1.26 -4.82 117.16 112.25 3dkf n TYR 1284Ca 0.13 0.43 0.24 0.00 -0.16 0.00 0.00 57.90 58.53 3dkf n TYR 1284Cb 0.50 -3.25 0.48 0.00 -0.31 0.00 0.00 39.34 36.76 3dkf n TYR 1284CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3dkf h PRO 1285N -2.09 0.30 -0.46 -0.72 0.11 -1.95 -1.29 132.00 125.90 3dkf h PRO 1285Ca -0.67 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.42 3dkf h PRO 1285Cb 1.38 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.42 3dkf h PRO 1285CO 0.55 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.14 3dkf n ASP 1286N -5.06 4.87 -4.55 -2.05 3.85 -1.26 -4.96 116.55 107.39 3dkf n ASP 1286Ca 0.32 -2.89 -0.36 0.00 -0.71 0.00 0.00 54.79 51.16 3dkf n ASP 1286Cb 0.99 -0.61 -0.11 0.00 -1.35 0.00 0.00 41.12 40.04 3dkf n ASP 1286CO 0.00 0.00 0.00 -0.69 -1.01 0.00 0.00 177.20 175.50 3dkf s VAL 1287N -2.64 4.61 -0.53 2.12 1.01 -0.49 -5.04 120.40 119.45 3dkf s VAL 1287Ca 0.49 -0.08 -0.26 0.00 0.00 0.00 0.00 61.98 62.12 3dkf s VAL 1287Cb 0.37 -3.12 -0.05 0.00 0.00 0.00 0.00 36.38 33.59 3dkf s VAL 1287CO 0.14 0.39 2.15 0.21 0.00 0.00 0.00 175.10 177.99 3dkf s ASN 1288N 0.99 4.87 0.22 3.32 3.84 -1.26 -4.86 114.94 122.06 3dkf s ASN 1288Ca 0.04 0.80 0.12 0.00 0.21 0.00 0.00 52.86 54.03 3dkf s ASN 1288Cb -0.14 -2.51 0.80 0.00 -0.55 0.00 0.00 41.25 38.85 3dkf s ASN 1288CO 0.03 -2.60 0.96 0.41 -2.79 0.00 0.00 177.10 173.11 3dkf n THR 1289N 7.63 -0.26 1.32 -5.21 -1.04 -1.26 0.71 114.28 116.17 3dkf n THR 1289Ca 0.29 1.24 0.00 0.00 -2.04 0.00 0.00 64.05 63.54 3dkf n THR 1289Cb 0.53 -2.00 0.00 0.00 -1.82 0.00 0.00 70.33 67.04 3dkf n THR 1289CO 0.00 0.00 0.00 0.49 -0.64 0.00 0.00 175.07 174.92 3dkf n PHE 1290N -4.40 0.00 -1.58 -1.42 3.01 -1.26 -3.06 117.46 108.74 3dkf n PHE 1290Ca 0.23 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.69 3dkf n PHE 1290Cb 0.76 -0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.23 3dkf n PHE 1290CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 3dkf n ASP 1291N -0.49 0.00 0.07 4.37 5.75 0.22 -4.93 116.55 121.54 3dkf n ASP 1291Ca 0.00 -1.48 0.04 0.00 -0.01 0.00 0.00 54.79 53.34 3dkf n ASP 1291Cb 0.00 -0.10 0.45 0.00 -1.03 0.00 0.00 41.12 40.45 3dkf n ASP 1291CO 0.00 0.00 0.00 -0.29 -0.11 0.00 0.00 177.20 176.80 3dkf h ILE 1292N 5.04 1.10 -0.45 2.12 6.09 -1.60 -1.62 117.51 128.19 3dkf h ILE 1292Ca 0.00 -0.29 -0.01 0.00 -1.37 0.00 0.00 64.86 63.20 3dkf h ILE 1292Cb 1.19 0.73 -0.02 0.00 0.47 0.00 0.00 36.82 39.19 3dkf h ILE 1292CO 0.00 0.12 0.25 0.74 -3.07 0.00 0.00 178.15 176.19 3dkf h THR 1293N 0.40 1.16 -0.50 2.19 2.02 -1.92 -0.54 112.91 115.72 3dkf h THR 1293Ca 0.10 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.89 3dkf h THR 1293Cb 0.04 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.03 3dkf h THR 1293CO -0.02 0.16 0.32 0.58 0.37 0.00 0.00 175.52 176.94 3dkf h VAL 1294N 0.59 1.14 0.13 3.16 2.07 -1.72 -0.57 116.25 121.06 3dkf h VAL 1294Ca 0.16 -0.29 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3dkf h VAL 1294Cb 0.04 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.24 3dkf h VAL 1294CO -0.03 0.14 -0.10 0.22 0.02 0.00 0.00 177.57 177.83 3dkf h TYR 1295N 0.67 -0.25 -0.58 1.57 3.20 -1.15 -2.06 116.97 118.38 3dkf h TYR 1295Ca 0.18 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 62.07 3dkf h TYR 1295Cb -0.05 0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.28 3dkf h TYR 1295CO -0.03 -0.15 0.35 -0.07 -1.64 0.00 0.00 178.16 176.62 3dkf h LEU 1296N -0.23 0.58 -0.46 2.82 3.38 -0.99 -2.65 115.31 117.74 3dkf h LEU 1296Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3dkf h LEU 1296Cb 0.21 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3dkf h LEU 1296CO -0.00 0.41 0.00 0.18 0.09 0.00 0.00 178.44 179.12 3dkf n LEU 1297N -4.75 0.43 0.10 1.67 4.77 -0.23 -0.97 117.00 118.03 3dkf n LEU 1297Ca 0.05 0.61 0.10 0.00 -0.03 0.00 0.00 56.01 56.74 3dkf n LEU 1297Cb 0.07 -0.55 0.45 0.00 -2.33 0.00 0.00 43.42 41.06 3dkf n LEU 1297CO 0.33 -0.46 0.81 0.00 -1.33 0.00 0.00 177.39 176.74 3dkf n GLN 1298N -1.98 0.14 0.00 3.23 6.02 -0.80 -4.87 117.38 119.12 3dkf n GLN 1298Ca 0.03 0.42 0.00 0.00 -0.01 0.00 0.00 57.00 57.44 3dkf n GLN 1298Cb 0.21 -1.79 0.00 0.00 1.02 0.00 0.00 30.24 29.67 3dkf n GLN 1298CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3dkf n GLY 1299N -0.26 0.93 3.25 1.08 0.00 -0.14 -5.13 105.19 104.92 3dkf n GLY 1299Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 3dkf n GLY 1299CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3dkf s ARG 1300N 0.14 1.28 0.15 1.61 0.52 -1.00 -5.09 118.95 116.56 3dkf s ARG 1300Ca 0.00 -0.99 0.02 0.00 -0.52 0.00 0.00 55.73 54.24 3dkf s ARG 1300Cb 0.00 -1.43 -0.04 0.00 0.52 0.00 0.00 34.95 34.00 3dkf s ARG 1300CO 0.00 0.36 -0.01 1.03 0.02 0.00 0.00 175.30 176.69 3dkf s ARG 1301N -1.38 1.01 0.21 3.54 1.81 -1.26 -4.67 118.95 118.21 3dkf s ARG 1301Ca 0.07 -1.47 -0.32 0.00 -1.72 0.00 0.00 55.73 52.29 3dkf s ARG 1301Cb -0.09 -0.20 -0.15 0.00 -0.45 0.00 0.00 34.95 34.06 3dkf s ARG 1301CO 0.02 -0.11 1.23 1.28 -0.68 0.00 0.00 175.30 177.05 3dkf n LEU 1302N -0.17 2.11 -4.77 2.53 4.77 -1.26 -4.97 117.00 115.25 3dkf n LEU 1302Ca -0.08 1.15 -0.33 0.00 -0.03 0.00 0.00 56.01 56.72 3dkf n LEU 1302Cb 0.62 -1.30 0.06 0.00 -2.33 0.00 0.00 43.42 40.48 3dkf n LEU 1302CO 0.32 -1.02 0.74 -0.76 -1.33 0.00 0.00 177.39 175.34 3dkf s LEU 1303N 0.43 3.33 -0.10 2.23 1.43 -1.26 -4.97 118.68 119.77 3dkf s LEU 1303Ca 0.70 2.00 -0.29 0.00 -1.03 0.00 0.00 54.13 55.51 3dkf s LEU 1303Cb -0.76 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 40.87 3dkf s LEU 1303CO 0.52 -1.75 1.52 -1.58 0.23 0.00 0.00 176.35 175.29 3dkf s GLN 1304N -4.20 4.18 0.60 1.70 0.74 -1.26 -4.98 119.66 116.44 3dkf s GLN 1304Ca 0.67 1.99 -0.20 0.00 0.05 0.00 0.00 55.36 57.87 3dkf s GLN 1304Cb -0.21 -3.91 -0.03 0.00 1.10 0.00 0.00 33.01 29.96 3dkf s GLN 1304CO 0.44 -0.82 1.29 -2.30 -0.55 0.00 0.00 175.29 173.35 3dkf n PRO 1305N 6.98 1.35 -0.33 1.67 -0.02 -1.26 -4.89 135.00 138.50 3dkf n PRO 1305Ca 0.16 0.51 0.14 0.00 -2.02 0.00 0.00 63.50 62.30 3dkf n PRO 1305Cb 0.44 -2.51 0.37 0.00 -0.02 0.00 0.00 33.50 31.77 3dkf n PRO 1305CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3dkf h GLU 1306N 0.93 0.67 -0.53 -0.52 4.81 -1.94 -1.64 114.58 116.36 3dkf h GLU 1306Ca -0.51 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.68 3dkf h GLU 1306Cb 1.33 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.56 3dkf h GLU 1306CO 0.55 0.44 0.00 0.66 -0.73 0.00 0.00 179.01 179.93 3dkf n TYR 1307N -4.69 1.27 -2.93 0.92 4.01 -1.26 -4.90 117.16 109.57 3dkf n TYR 1307Ca 0.22 -0.65 -0.42 0.00 -0.16 0.00 0.00 57.90 56.90 3dkf n TYR 1307Cb 0.60 -0.24 -0.05 0.00 -0.31 0.00 0.00 39.34 39.35 3dkf n TYR 1307CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3dkf n PRO 1309N 5.94 2.26 -0.21 0.00 -0.02 -1.26 -4.80 135.00 136.90 3dkf n PRO 1309Ca 0.04 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.32 3dkf n PRO 1309Cb 0.48 -2.57 0.06 0.00 -0.02 0.00 0.00 33.50 31.45 3dkf n PRO 1309CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 3dkf h ASP 1310N 2.39 -0.65 0.10 2.55 3.45 -1.97 -1.31 116.42 120.97 3dkf h ASP 1310Ca -0.50 0.20 -0.02 0.00 0.43 0.00 0.00 57.03 57.14 3dkf h ASP 1310Cb 1.27 0.41 -0.00 0.00 -0.56 0.00 0.00 39.33 40.45 3dkf h ASP 1310CO 0.61 -0.22 -0.09 1.55 -1.57 0.00 0.00 179.24 179.52 3dkf h PRO 1311N -0.02 0.00 -0.01 3.56 0.13 -1.99 0.42 132.00 134.09 3dkf h PRO 1311Ca 0.30 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 65.20 3dkf h PRO 1311Cb 0.48 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.61 3dkf h PRO 1311CO -0.66 0.09 -0.93 1.25 -0.23 0.00 0.00 178.00 177.52 3dkf h LEU 1312N 0.00 0.58 -0.76 1.56 5.85 -1.64 -1.98 115.31 118.93 3dkf h LEU 1312Ca -0.00 -0.46 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 3dkf h LEU 1312Cb 0.17 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 3dkf h LEU 1312CO 0.01 1.25 0.15 0.22 -0.34 0.00 0.00 178.44 179.73 3dkf h TYR 1313N 0.26 1.15 -0.96 1.25 -0.00 -0.68 -1.42 116.97 116.57 3dkf h TYR 1313Ca -0.08 -0.14 0.09 0.00 -0.00 0.00 0.00 58.73 58.60 3dkf h TYR 1313Cb 1.57 -0.32 -0.07 0.00 -0.00 0.00 0.00 36.73 37.91 3dkf h TYR 1313CO 0.06 0.94 0.62 0.93 -0.00 0.00 0.00 178.16 180.71 3dkf h GLU 1314N 1.03 1.00 -0.39 1.82 5.08 -0.84 -0.81 114.58 121.46 3dkf h GLU 1314Ca 0.21 -0.06 -0.05 0.00 -1.00 0.00 0.00 59.36 58.47 3dkf h GLU 1314Cb 0.38 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 3dkf h GLU 1314CO 0.00 0.66 0.07 0.28 -1.00 0.00 0.00 179.01 179.02 3dkf h VAL 1315N 1.03 1.24 -0.41 3.13 2.07 -0.94 -1.98 116.25 120.38 3dkf h VAL 1315Ca 0.43 -0.85 0.05 0.00 0.82 0.00 0.00 66.70 67.15 3dkf h VAL 1315Cb 0.31 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 31.08 3dkf h VAL 1315CO -0.19 0.29 0.16 0.24 0.02 0.00 0.00 177.57 178.09 3dkf h MET 1316N 0.49 0.32 -0.43 1.57 2.86 -0.59 -0.68 114.93 118.48 3dkf h MET 1316Ca 0.12 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.73 3dkf h MET 1316Cb 0.36 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 31.92 3dkf h MET 1316CO 0.01 0.21 0.24 -0.07 1.06 0.00 0.00 176.91 178.36 3dkf h LEU 1317N 0.33 0.51 -0.77 1.22 3.38 -1.02 -1.28 115.31 117.68 3dkf h LEU 1317Ca 0.19 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 3dkf h LEU 1317Cb 0.16 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3dkf h LEU 1317CO -0.18 0.41 -0.03 0.11 0.09 0.00 0.00 178.44 178.84 3dkf h LYS 1318N 0.59 0.90 0.00 1.13 1.57 -0.65 -2.74 116.57 117.37 3dkf h LYS 1318Ca 0.15 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.63 3dkf h LYS 1318Cb 0.00 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3dkf h LYS 1318CO -0.03 0.91 -0.13 0.00 -0.57 0.00 0.00 179.45 179.64 3dkf n TRP 1320N -3.55 1.88 -1.67 0.00 8.01 -0.81 -3.34 117.44 117.96 3dkf n TRP 1320Ca -0.01 -0.93 -0.45 0.00 -1.31 0.00 0.00 57.50 54.80 3dkf n TRP 1320Cb 0.27 -0.52 -0.03 0.00 -2.01 0.00 0.00 31.31 29.02 3dkf n TRP 1320CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.69 178.26 3dkf n HIS 1321N 0.06 2.20 -0.01 -5.99 -0.00 -0.94 -4.84 115.22 105.70 3dkf n HIS 1321Ca 0.30 0.43 0.15 0.00 0.46 0.00 0.00 57.72 59.06 3dkf n HIS 1321Cb 1.18 -2.47 0.60 0.00 -0.12 0.00 0.00 29.99 29.18 3dkf n HIS 1321CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 3dkf h PRO 1322N 4.22 0.18 -5.03 1.57 0.11 -1.92 -3.38 132.00 127.74 3dkf h PRO 1322Ca -0.45 -0.01 -0.66 0.00 0.11 0.00 0.00 66.00 64.99 3dkf h PRO 1322Cb 1.27 -0.04 -0.17 0.00 0.11 0.00 0.00 31.00 32.18 3dkf h PRO 1322CO 0.76 0.12 -0.19 0.15 -0.21 0.00 0.00 178.00 178.62 3dkf s LYS 1323N -5.19 3.49 0.29 1.05 1.02 -1.26 -4.93 119.74 114.21 3dkf s LYS 1323Ca -0.06 -0.40 0.02 0.00 0.02 0.00 0.00 55.97 55.55 3dkf s LYS 1323Cb 0.19 -3.84 0.57 0.00 -0.52 0.00 0.00 37.83 34.24 3dkf s LYS 1323CO 0.73 -0.63 1.85 0.00 -0.92 0.00 0.00 175.35 176.38 3dkf h ALA 1324N 8.52 1.54 0.00 5.17 0.00 -1.96 -0.90 119.26 131.64 3dkf h ALA 1324Ca -0.28 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3dkf h ALA 1324Cb 1.13 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.71 3dkf h ALA 1324CO 0.74 0.22 0.00 1.05 0.00 0.00 0.00 179.25 181.26 3dkf h GLU 1325N 0.98 0.00 -0.00 0.00 9.09 -1.94 -2.52 114.58 120.19 3dkf h GLU 1325Ca 0.48 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.89 3dkf h GLU 1325Cb 0.47 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.57 3dkf h GLU 1325CO -0.24 0.00 -0.42 -1.33 0.05 0.00 0.00 179.01 177.06 3dkf n MET 1326N -2.35 0.37 -2.34 1.06 2.81 -0.35 -4.91 117.12 111.42 3dkf n MET 1326Ca 0.02 -0.23 -0.36 0.00 -1.81 0.00 0.00 57.70 55.31 3dkf n MET 1326Cb 0.23 -1.50 -0.02 0.00 -0.71 0.00 0.00 33.22 31.23 3dkf n MET 1326CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 3dkf s ARG 1327N -2.78 3.80 0.56 0.03 0.52 -0.95 -4.98 118.95 115.15 3dkf s ARG 1327Ca 0.16 1.67 -0.20 0.00 -0.52 0.00 0.00 55.73 56.85 3dkf s ARG 1327Cb 0.18 -2.37 -0.05 0.00 0.52 0.00 0.00 34.95 33.24 3dkf s ARG 1327CO 0.63 -0.49 1.24 -1.25 0.02 0.00 0.00 175.30 175.44 3dkf s PRO 1328N -2.76 3.15 0.84 3.54 0.04 -1.26 -5.02 135.00 133.53 3dkf s PRO 1328Ca 0.64 1.92 -0.11 0.00 0.04 0.00 0.00 61.00 63.48 3dkf s PRO 1328Cb -0.26 -2.09 0.09 0.00 0.04 0.00 0.00 34.50 32.28 3dkf s PRO 1328CO 0.31 -1.08 1.09 -1.54 0.04 0.00 0.00 177.00 175.82 3dkf s SER 1329N -1.40 3.98 0.47 6.66 1.04 -1.26 -4.86 113.70 118.33 3dkf s SER 1329Ca 0.74 1.62 0.16 0.00 0.48 0.00 0.00 55.95 58.95 3dkf s SER 1329Cb -0.33 -2.31 1.11 0.00 0.10 0.00 0.00 66.02 64.59 3dkf s SER 1329CO 0.37 -2.34 2.03 -0.26 0.98 0.00 0.00 173.24 174.02 3dkf h PHE 1330N -1.34 0.00 -0.15 5.02 0.04 -1.93 -0.61 116.94 117.97 3dkf h PHE 1330Ca -0.47 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.30 3dkf h PHE 1330Cb 1.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 39.40 3dkf h PHE 1330CO 0.49 0.14 0.08 1.03 -0.60 0.00 0.00 178.31 179.46 3dkf h SER 1331N 0.00 0.19 -0.63 2.17 0.87 -1.92 0.22 113.55 114.45 3dkf h SER 1331Ca -0.00 -0.09 -0.02 0.00 -1.23 0.00 0.00 61.79 60.45 3dkf h SER 1331Cb 0.26 -0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.14 3dkf h SER 1331CO 0.02 0.22 0.34 -0.08 -0.53 0.00 0.00 176.83 176.80 3dkf h GLU 1332N 0.14 0.90 -0.36 2.24 4.81 -1.82 -2.41 114.58 118.08 3dkf h GLU 1332Ca 0.05 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.12 3dkf h GLU 1332Cb 0.08 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.27 3dkf h GLU 1332CO -0.01 0.68 0.01 -0.07 -0.73 0.00 0.00 179.01 178.89 3dkf h LEU 1333N 0.91 0.62 -0.56 1.64 3.38 -0.71 -0.13 115.31 120.46 3dkf h LEU 1333Ca 0.23 -0.30 0.05 0.00 0.09 0.00 0.00 57.88 57.95 3dkf h LEU 1333Cb 0.05 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3dkf h LEU 1333CO -0.03 0.77 0.28 0.58 0.09 0.00 0.00 178.44 180.12 3dkf h VAL 1334N 0.45 0.93 0.26 1.22 2.07 -0.84 -0.04 116.25 120.32 3dkf h VAL 1334Ca 0.10 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 3dkf h VAL 1334Cb 0.45 0.36 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 3dkf h VAL 1334CO 0.02 0.10 -0.12 -1.28 0.02 0.00 0.00 177.57 176.30 3dkf h SER 1335N 0.53 -0.30 -0.49 0.57 0.87 -1.18 -0.53 113.55 113.02 3dkf h SER 1335Ca 0.25 -0.09 -0.03 0.00 -1.23 0.00 0.00 61.79 60.69 3dkf h SER 1335Cb 0.18 0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.19 3dkf h SER 1335CO -0.18 -0.09 0.21 0.03 -0.53 0.00 0.00 176.83 176.27 3dkf h ARG 1336N -0.50 0.73 -0.05 2.24 3.08 -0.91 -2.60 114.38 116.36 3dkf h ARG 1336Ca -0.04 -0.13 -0.17 0.00 0.07 0.00 0.00 59.98 59.72 3dkf h ARG 1336Cb 0.37 -0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.29 3dkf h ARG 1336CO 0.06 0.64 -0.70 0.82 -1.07 0.00 0.00 179.97 179.72 3dkf h ILE 1337N 0.65 1.41 -0.93 2.04 2.04 -1.03 -2.28 117.51 119.42 3dkf h ILE 1337Ca 0.16 -2.17 0.02 0.00 1.00 0.00 0.00 64.86 63.87 3dkf h ILE 1337Cb 0.18 2.14 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3dkf h ILE 1337CO -0.02 0.64 0.61 0.28 0.00 0.00 0.00 178.15 179.67 3dkf h SER 1338N 0.18 1.04 -0.03 1.72 0.02 -0.94 0.43 113.55 115.96 3dkf h SER 1338Ca -0.02 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3dkf h SER 1338Cb 1.24 -0.25 -0.00 0.00 0.14 0.00 0.00 62.40 63.54 3dkf h SER 1338CO 0.11 0.73 -0.00 0.00 -1.14 0.00 0.00 176.83 176.53 3dkf h ALA 1339N 1.36 0.04 -0.15 3.77 0.00 -1.18 -1.86 119.26 121.23 3dkf h ALA 1339Ca 0.36 -0.16 0.01 0.00 0.00 0.00 0.00 54.91 55.11 3dkf h ALA 1339Cb -0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3dkf h ALA 1339CO -0.10 -0.30 0.07 0.82 0.00 0.00 0.00 179.25 179.74 3dkf h ILE 1340N -0.26 0.99 -0.69 0.00 2.04 -1.24 -2.66 117.51 115.69 3dkf h ILE 1340Ca 0.01 -0.05 0.14 0.00 1.00 0.00 0.00 64.86 65.96 3dkf h ILE 1340Cb 0.32 0.83 -0.10 0.00 -0.74 0.00 0.00 36.82 37.13 3dkf h ILE 1340CO 0.00 0.03 0.15 0.15 0.00 0.00 0.00 178.15 178.48 3dkf h PHE 1341N 0.15 0.24 0.00 1.37 3.57 -0.89 -1.92 116.94 119.47 3dkf h PHE 1341Ca 0.06 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.60 3dkf h PHE 1341Cb 0.02 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 38.76 3dkf h PHE 1341CO -0.09 -0.07 0.00 0.66 -2.23 0.00 0.00 178.31 176.58 3dkf h SER 1342N 0.27 0.00 1.15 0.41 4.64 -0.97 -2.49 113.55 116.55 3dkf h SER 1342Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3dkf h SER 1342Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 3dkf h SER 1342CO -0.47 0.00 -0.10 0.35 -0.87 0.00 0.00 176.83 175.73 3dkf n THR 1343N -2.93 0.29 -3.82 2.95 -2.24 -0.72 -4.88 114.28 102.93 3dkf n THR 1343Ca -0.02 -0.15 -0.27 0.00 -2.27 0.00 0.00 64.05 61.33 3dkf n THR 1343Cb 0.08 -0.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.84 3dkf n THR 1343CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3dkf s PHE 1344N -3.06 3.49 0.00 4.78 0.40 -0.94 -5.02 117.98 117.63 3dkf s PHE 1344Ca 0.12 0.25 0.00 0.00 -0.60 0.00 0.00 56.93 56.69 3dkf s PHE 1344Cb 0.15 -1.77 0.00 0.00 0.51 0.00 0.00 43.02 41.91 3dkf s PHE 1344CO 0.59 0.46 0.55 0.44 0.70 0.00 0.00 175.22 177.96 3dkf n ILE 1345N -0.48 0.29 -1.10 0.64 -5.35 -1.26 -5.01 119.36 107.09 3dkf n ILE 1345Ca -0.06 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 61.95 3dkf n ILE 1345Cb 0.53 1.04 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 3dkf n ILE 1345CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dkf n GLY 1346N -0.14 1.11 0.00 3.28 0.00 -1.26 -4.99 105.19 103.18 3dkf n GLY 1346Ca 0.00 -0.47 0.10 0.00 0.00 0.00 0.00 46.02 45.64 3dkf n GLY 1346CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3dkf n GLU 1347N -0.94 0.31 -3.53 1.61 0.28 -1.26 -4.89 120.64 112.22 3dkf n GLU 1347Ca 0.00 -0.01 -0.42 0.00 -0.16 0.00 0.00 57.16 56.57 3dkf n GLU 1347Cb 0.27 -1.46 -0.10 0.00 1.43 0.00 0.00 31.44 31.58 3dkf n GLU 1347CO 0.00 0.00 0.00 -1.01 -0.16 0.00 0.00 177.13 175.96 3dkf s HIS 1348N -2.94 3.26 0.19 -1.84 3.76 -1.26 -5.05 115.29 111.41 3dkf s HIS 1348Ca 0.07 -0.96 -0.28 0.00 -0.15 0.00 0.00 55.06 53.74 3dkf s HIS 1348Cb 0.15 -2.68 -0.08 0.00 1.11 0.00 0.00 32.58 31.08 3dkf s HIS 1348CO 0.84 -0.69 0.86 0.71 -0.85 0.00 0.00 174.74 175.60 3dkf s TYR 1349N 1.58 3.94 -0.27 1.40 1.51 -1.26 -0.43 117.35 123.82 3dkf s TYR 1349Ca 0.03 1.77 -0.09 0.00 -1.01 0.00 0.00 57.07 57.77 3dkf s TYR 1349Cb -0.21 -2.88 -0.04 0.00 -0.11 0.00 0.00 41.96 38.72 3dkf s TYR 1349CO 0.07 0.47 0.14 0.08 -1.11 0.00 0.00 175.55 175.19 3dkf s VAL 1350N -1.08 4.88 0.37 0.71 1.01 -0.70 -4.84 120.40 120.75 3dkf s VAL 1350Ca 0.39 0.02 0.08 0.00 0.00 0.00 0.00 61.98 62.47 3dkf s VAL 1350Cb -0.24 -3.31 -0.04 0.00 0.00 0.00 0.00 36.38 32.79 3dkf s VAL 1350CO 0.29 0.29 0.22 -1.00 0.00 0.00 0.00 175.10 174.90 3dkf s HIS 1351N 1.67 2.72 -0.03 5.22 3.76 -1.26 -4.67 115.29 122.70 3dkf s HIS 1351Ca 0.07 -0.43 -0.19 0.00 -0.15 0.00 0.00 55.06 54.36 3dkf s HIS 1351Cb -0.16 -1.82 -0.05 0.00 1.11 0.00 0.00 32.58 31.66 3dkf s HIS 1351CO 0.08 0.20 0.54 0.08 -0.85 0.00 0.00 174.74 174.78 3dkf s VAL 1352N -2.45 4.98 -0.12 -0.90 1.01 -1.26 -4.90 120.40 116.76 3dkf s VAL 1352Ca 0.41 1.11 -0.29 0.00 0.00 0.00 0.00 61.98 63.20 3dkf s VAL 1352Cb -0.02 -3.87 -0.03 0.00 0.00 0.00 0.00 36.38 32.47 3dkf s VAL 1352CO 0.24 0.43 1.31 0.21 0.00 0.00 0.00 175.10 177.29 3dkf s ASN 1353N -0.18 6.92 0.48 3.32 3.84 -1.26 -4.93 114.94 123.13 3dkf s ASN 1353Ca 0.29 1.82 0.24 0.00 0.21 0.00 0.00 52.86 55.41 3dkf s ASN 1353Cb -0.17 -2.54 1.28 0.00 -0.55 0.00 0.00 41.25 39.27 3dkf s ASN 1353CO 0.15 -0.75 1.89 0.00 -2.79 0.00 0.00 177.10 175.60 3dkf h ALA 1354N 8.21 2.50 0.00 1.71 0.00 -1.98 -1.01 119.26 128.70 3dkf h ALA 1354Ca -0.30 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.60 3dkf h ALA 1354Cb 1.13 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3dkf h ALA 1354CO 0.95 -0.75 0.00 0.25 0.00 0.00 0.00 179.25 179.69 3dkf n THR 1355N -4.40 0.56 0.23 0.00 -2.24 -1.26 -3.37 114.28 103.80 3dkf n THR 1355Ca 0.18 -0.08 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 3dkf n THR 1355Cb 0.79 -0.72 -0.14 0.00 -2.10 0.00 0.00 70.33 68.16 3dkf n THR 1355CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 3dkf n TYR 1356N -2.05 0.07 -1.83 4.78 0.53 -0.39 -4.85 117.16 113.42 3dkf n TYR 1356Ca 0.05 0.02 -0.42 0.00 -1.02 0.00 0.00 57.90 56.53 3dkf n TYR 1356Cb 0.35 -0.43 -0.03 0.00 -1.03 0.00 0.00 39.34 38.20 3dkf n TYR 1356CO 0.00 0.00 0.00 0.08 -1.02 0.00 0.00 176.86 175.92 3dkf s VAL 1357N -3.39 2.71 0.00 -0.72 1.01 -1.15 -2.07 120.40 116.79 3dkf s VAL 1357Ca -0.04 0.28 0.00 0.00 0.00 0.00 0.00 61.98 62.22 3dkf s VAL 1357Cb 0.14 -3.18 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3dkf s VAL 1357CO 0.89 0.00 0.00 0.59 0.00 0.00 0.00 175.10 176.58 3dkf n ASN 1358N 5.31 -1.58 -4.68 3.32 3.02 -1.26 -5.00 115.26 114.39 3dkf n ASN 1358Ca 0.16 0.00 -0.43 0.00 -0.03 0.00 0.00 54.58 54.29 3dkf n ASN 1358Cb 0.39 -0.76 -0.02 0.00 -0.61 0.00 0.00 39.78 38.77 3dkf n ASN 1358CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3dkf s VAL 1359N -2.70 4.52 0.51 2.41 1.01 -0.88 -5.01 120.40 120.26 3dkf s VAL 1359Ca 0.00 1.82 -0.19 0.00 0.00 0.00 0.00 61.98 63.61 3dkf s VAL 1359Cb 0.00 -4.17 -0.07 0.00 0.00 0.00 0.00 36.38 32.14 3dkf s VAL 1359CO 0.00 -0.06 1.02 -1.59 0.00 0.00 0.00 175.10 174.48 3dkf s LYS 1360N 2.54 3.75 0.00 2.72 0.00 -1.26 -4.71 119.74 122.78 3dkf s LYS 1360Ca 0.51 1.23 0.14 0.00 0.00 0.00 0.00 55.97 57.85 3dkf s LYS 1360Cb -0.20 -2.10 0.11 0.00 0.00 0.00 0.00 37.83 35.64 3dkf s LYS 1360CO 0.16 -0.45 0.94 0.39 0.00 0.00 0.00 175.35 176.39