#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s PHE 1049N 0.00 3.01 0.12 1.39 0.08 -1.26 -5.08 117.98 116.24 3i3j s PHE 1049Ca 0.00 -0.76 -0.31 0.00 0.12 0.00 0.00 56.93 55.97 3i3j s PHE 1049Cb 0.00 -2.16 -0.09 0.00 -0.57 0.00 0.00 43.02 40.20 3i3j s PHE 1049CO 0.00 -0.48 1.64 -1.59 -0.10 0.00 0.00 175.22 174.69 3i3j s LYS 1050N 1.53 4.19 0.43 0.44 -2.85 -1.26 -4.89 119.74 117.33 3i3j s LYS 1050Ca 0.06 2.38 0.20 0.00 -1.00 0.00 0.00 55.97 57.62 3i3j s LYS 1050Cb -0.15 -3.39 1.16 0.00 -2.06 0.00 0.00 37.83 33.38 3i3j s LYS 1050CO -0.01 -0.69 1.83 -1.35 0.10 0.00 0.00 175.35 175.22 3i3j h PRO 1051N 7.67 0.33 0.02 1.78 0.11 -1.95 0.11 132.00 140.07 3i3j h PRO 1051Ca -0.43 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.45 3i3j h PRO 1051Cb 1.20 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 3i3j h PRO 1051CO 0.93 0.22 -0.97 0.93 -0.21 0.00 0.00 178.00 178.90 3i3j h GLU 1052N 0.34 0.09 -0.58 1.05 3.07 -1.97 -1.71 114.58 114.87 3i3j h GLU 1052Ca 0.52 -0.13 -0.07 0.00 -0.50 0.00 0.00 59.36 59.17 3i3j h GLU 1052Cb 1.40 0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 29.33 3i3j h GLU 1052CO -0.19 0.98 0.07 1.05 -1.40 0.00 0.00 179.01 179.53 3i3j h GLU 1053N 0.04 0.95 0.27 2.33 4.11 -1.19 -1.31 114.58 119.79 3i3j h GLU 1053Ca -0.04 -0.25 -0.01 0.00 0.07 0.00 0.00 59.36 59.13 3i3j h GLU 1053Cb 1.66 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.80 3i3j h GLU 1053CO 0.14 0.89 -0.13 1.25 0.07 0.00 0.00 179.01 181.23 3i3j h LEU 1054N 0.89 -0.31 -0.66 3.06 5.85 -1.32 -2.66 115.31 120.16 3i3j h LEU 1054Ca 0.18 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.82 3i3j h LEU 1054Cb 0.42 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.44 3i3j h LEU 1054CO 0.01 0.10 0.15 -0.09 -0.34 0.00 0.00 178.44 178.28 3i3j h ARG 1055N -0.78 0.26 -0.39 1.25 2.43 -1.27 0.57 114.38 116.45 3i3j h ARG 1055Ca -0.04 -0.02 -0.07 0.00 -0.81 0.00 0.00 59.98 59.04 3i3j h ARG 1055Cb 0.51 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 3i3j h ARG 1055CO 0.06 0.17 -0.06 0.37 -1.51 0.00 0.00 179.97 179.00 3i3j h GLN 1056N 0.27 0.65 0.23 0.20 4.15 -1.26 -0.64 115.11 118.70 3i3j h GLN 1056Ca 0.36 -0.18 -0.33 0.00 0.77 0.00 0.00 58.65 59.27 3i3j h GLN 1056Cb 0.57 -0.07 0.04 0.00 0.21 0.00 0.00 27.48 28.22 3i3j h GLN 1056CO -0.45 0.71 -1.44 0.00 -1.93 0.00 0.00 178.83 175.72 3i3j h ALA 1057N 1.33 -0.14 0.02 3.38 0.00 -0.87 -3.39 119.26 119.60 3i3j h ALA 1057Ca 0.11 -0.84 -0.28 0.00 0.00 0.00 0.00 54.91 53.90 3i3j h ALA 1057Cb 0.47 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 3i3j h ALA 1057CO 0.02 0.69 -1.58 -0.07 0.00 0.00 0.00 179.25 178.31 3i3j h LEU 1058N 0.18 0.07 -0.68 0.00 3.38 -0.89 -3.39 115.31 113.98 3i3j h LEU 1058Ca -0.25 -0.13 0.11 0.00 0.09 0.00 0.00 57.88 57.71 3i3j h LEU 1058Cb 2.13 -0.02 -0.08 0.00 0.09 0.00 0.00 40.66 42.77 3i3j h LEU 1058CO 0.27 1.11 0.27 -0.03 0.09 0.00 0.00 178.44 180.15 3i3j h MET 1059N 0.01 0.43 -0.82 1.13 4.05 -1.30 -1.20 114.93 117.23 3i3j h MET 1059Ca -0.24 -0.03 0.08 0.00 -0.28 0.00 0.00 59.70 59.23 3i3j h MET 1059Cb 1.97 -0.10 -0.05 0.00 -0.80 0.00 0.00 31.60 32.62 3i3j h MET 1059CO 0.10 0.28 0.54 -1.35 0.23 0.00 0.00 176.91 176.71 3i3j h PRO 1060N 0.44 0.81 -0.14 0.39 0.11 -1.78 0.17 132.00 132.01 3i3j h PRO 1060Ca 0.36 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.32 3i3j h PRO 1060Cb 0.48 -0.18 -0.01 0.00 0.11 0.00 0.00 31.00 31.40 3i3j h PRO 1060CO -0.35 0.54 -0.36 1.79 -0.21 0.00 0.00 178.00 179.41 3i3j h THR 1061N 0.84 1.29 -0.09 -1.15 1.35 -1.47 -1.21 112.91 112.48 3i3j h THR 1061Ca 0.37 -1.42 -0.17 0.00 -0.55 0.00 0.00 66.41 64.64 3i3j h THR 1061Cb 0.33 1.59 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 3i3j h THR 1061CO -0.14 0.43 -0.67 0.25 -0.25 0.00 0.00 175.52 175.14 3i3j h LEU 1062N 0.25 0.43 -0.70 3.87 5.85 -0.74 -3.05 115.31 121.21 3i3j h LEU 1062Ca 0.03 -0.27 -0.11 0.00 0.84 0.00 0.00 57.88 58.37 3i3j h LEU 1062Cb 0.76 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.65 3i3j h LEU 1062CO 0.06 0.98 -0.17 -0.33 -0.34 0.00 0.00 178.44 178.64 3i3j h GLU 1063N 0.26 0.82 -0.95 1.25 5.08 -0.35 -1.75 114.58 118.95 3i3j h GLU 1063Ca -0.02 -0.31 0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3i3j h GLU 1063Cb 1.22 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.38 3i3j h GLU 1063CO 0.11 0.93 0.62 0.00 -1.00 0.00 0.00 179.01 179.68 3i3j h ALA 1064N 1.08 1.20 -0.26 3.43 0.00 -1.21 0.29 119.26 123.79 3i3j h ALA 1064Ca 0.11 -0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3i3j h ALA 1064Cb 0.68 -0.38 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3i3j h ALA 1064CO 0.05 0.61 -0.12 -0.07 0.00 0.00 0.00 179.25 179.71 3i3j h LEU 1065N 1.29 0.56 -1.26 0.00 3.38 -1.41 -3.05 115.31 114.81 3i3j h LEU 1065Ca 0.35 -0.41 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3i3j h LEU 1065Cb -0.14 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3i3j h LEU 1065CO -0.07 0.84 0.33 0.22 0.09 0.00 0.00 178.44 179.84 3i3j h TYR 1066N 0.27 0.81 -0.02 1.13 3.20 -0.83 -2.00 116.97 119.54 3i3j h TYR 1066Ca 0.06 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.92 3i3j h TYR 1066Cb 0.63 -0.26 0.00 0.00 1.54 0.00 0.00 36.73 38.64 3i3j h TYR 1066CO 0.06 0.57 0.00 0.54 -1.64 0.00 0.00 178.16 177.69 3i3j n ARG 1067N -4.38 1.24 -2.37 1.82 1.74 0.05 -4.70 116.66 110.06 3i3j n ARG 1067Ca 0.06 -0.36 -0.42 0.00 -0.77 0.00 0.00 57.85 56.36 3i3j n ARG 1067Cb 0.10 -1.45 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 3i3j n ARG 1067CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3i3j s GLN 1068N -1.98 3.45 -0.14 5.56 -1.52 -0.75 -4.99 119.66 119.29 3i3j s GLN 1068Ca 0.40 0.73 -0.00 0.00 -1.95 0.00 0.00 55.36 54.54 3i3j s GLN 1068Cb 0.20 -4.07 -0.01 0.00 -0.22 0.00 0.00 33.01 28.91 3i3j s GLN 1068CO 0.32 -1.73 -0.14 0.34 -0.25 0.00 0.00 175.29 173.84 3i3j s ASP 1069N 4.15 3.86 0.00 5.90 2.15 -1.26 -0.62 116.67 130.85 3i3j s ASP 1069Ca 0.57 -0.39 0.27 0.00 0.43 0.00 0.00 52.55 53.43 3i3j s ASP 1069Cb -0.12 -1.59 0.75 0.00 -0.30 0.00 0.00 42.92 41.66 3i3j s ASP 1069CO 0.30 0.13 1.57 -0.81 -0.17 0.00 0.00 175.17 176.18 3i3j n PRO 1070N 3.79 1.62 -0.32 4.34 -0.05 -1.26 -4.97 135.00 138.14 3i3j n PRO 1070Ca -0.18 -1.08 0.10 0.00 -0.05 0.00 0.00 63.50 62.29 3i3j n PRO 1070Cb 0.52 -1.48 0.31 0.00 -0.05 0.00 0.00 33.50 32.80 3i3j n PRO 1070CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 175.50 176.38 3i3j h GLU 1071N 2.63 0.82 0.00 0.54 3.07 -1.88 -1.48 114.58 118.28 3i3j h GLU 1071Ca 0.00 -0.05 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 3i3j h GLU 1071Cb 0.62 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 3i3j h GLU 1071CO 0.00 0.54 0.00 -1.13 -1.40 0.00 0.00 179.01 177.02 3i3j n SER 1072N -4.61 0.62 -0.23 1.42 3.41 0.21 -4.18 113.62 110.25 3i3j n SER 1072Ca 0.19 0.58 0.02 0.00 -0.26 0.00 0.00 58.87 59.39 3i3j n SER 1072Cb 0.43 -0.74 0.10 0.00 -0.26 0.00 0.00 64.21 63.75 3i3j n SER 1072CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3i3j h LEU 1073N 0.00 -0.48 0.00 1.04 3.38 -1.47 0.43 115.31 118.21 3i3j h LEU 1073Ca 0.00 0.19 0.00 0.00 0.09 0.00 0.00 57.88 58.16 3i3j h LEU 1073Cb 0.61 0.37 0.00 0.00 0.09 0.00 0.00 40.66 41.73 3i3j h LEU 1073CO 0.00 -0.19 0.00 -2.65 0.09 0.00 0.00 178.44 175.69 3i3j n PRO 1074N -5.39 0.17 -0.12 1.13 -0.02 -1.26 -3.23 135.00 126.28 3i3j n PRO 1074Ca 0.10 0.16 0.04 0.00 -2.02 0.00 0.00 63.50 61.79 3i3j n PRO 1074Cb 0.39 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.47 3i3j n PRO 1074CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3i3j n PHE 1075N -1.33 0.26 0.37 6.00 3.72 0.13 -4.66 117.46 121.96 3i3j n PHE 1075Ca 0.06 -0.62 0.12 0.00 -0.05 0.00 0.00 57.45 56.97 3i3j n PHE 1075Cb 0.13 -0.09 0.10 0.00 -0.94 0.00 0.00 39.48 38.68 3i3j n PHE 1075CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3i3j h ARG 1076N 0.88 0.00 -4.28 -1.08 3.08 -1.51 0.10 114.38 111.57 3i3j h ARG 1076Ca 0.00 0.00 -0.20 0.00 0.07 0.00 0.00 59.98 59.85 3i3j h ARG 1076Cb 0.76 0.00 -0.19 0.00 0.08 0.00 0.00 29.97 30.62 3i3j h ARG 1076CO 0.03 0.00 -0.71 1.14 -1.07 0.00 0.00 179.97 179.36 3i3j s GLN 1077N -3.25 0.49 0.58 0.04 0.00 -1.26 -3.66 119.66 112.60 3i3j s GLN 1077Ca 0.03 -0.85 -0.19 0.00 -0.00 0.00 0.00 55.36 54.35 3i3j s GLN 1077Cb 0.11 -0.03 -0.05 0.00 0.00 0.00 0.00 33.01 33.05 3i3j s GLN 1077CO 0.75 -0.03 1.05 -2.30 0.00 0.00 0.00 175.29 174.77 3i3j n PRO 1078N 1.10 1.07 -2.40 9.60 -0.02 -1.26 -4.86 135.00 138.23 3i3j n PRO 1078Ca -0.20 0.41 -0.42 0.00 -2.02 0.00 0.00 63.50 61.27 3i3j n PRO 1078Cb 0.57 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.77 3i3j n PRO 1078CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3i3j s VAL 1079N -1.45 3.80 -0.53 -1.45 1.01 -1.26 -5.01 120.40 115.50 3i3j s VAL 1079Ca 0.75 1.39 0.00 0.00 0.00 0.00 0.00 61.98 64.12 3i3j s VAL 1079Cb -0.43 -3.89 0.14 0.00 0.00 0.00 0.00 36.38 32.20 3i3j s VAL 1079CO 0.48 0.17 0.31 -0.62 0.00 0.00 0.00 175.10 175.43 3i3j s ASP 1080N 0.58 4.86 0.47 3.32 -1.08 -1.26 -4.96 116.67 118.60 3i3j s ASP 1080Ca 0.56 -2.75 0.13 0.00 -0.52 0.00 0.00 52.55 49.96 3i3j s ASP 1080Cb -0.31 -1.75 1.10 0.00 -1.46 0.00 0.00 42.92 40.50 3i3j s ASP 1080CO 0.33 -0.34 2.10 -0.65 0.52 0.00 0.00 175.17 177.13 3i3j h PRO 1081N 7.01 0.23 0.81 4.34 0.11 -1.95 -0.41 132.00 142.14 3i3j h PRO 1081Ca -0.05 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 66.01 3i3j h PRO 1081Cb 0.95 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.00 3i3j h PRO 1081CO 0.68 0.15 -0.46 1.96 -0.21 0.00 0.00 178.00 180.13 3i3j h GLN 1082N 0.24 -1.13 -0.11 1.05 4.20 -1.93 -0.96 115.11 116.48 3i3j h GLN 1082Ca 0.09 0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.86 3i3j h GLN 1082Cb 0.05 0.26 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i3j h GLN 1082CO -0.02 -0.75 0.02 1.25 -0.67 0.00 0.00 178.83 178.66 3i3j h LEU 1083N -1.17 0.17 -0.29 1.46 5.85 -1.88 -2.93 115.31 116.51 3i3j h LEU 1083Ca -0.11 -0.26 0.00 0.00 0.84 0.00 0.00 57.88 58.36 3i3j h LEU 1083Cb 0.93 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.91 3i3j h LEU 1083CO 0.13 0.38 0.00 0.18 -0.34 0.00 0.00 178.44 178.80 3i3j n LEU 1084N -4.85 0.30 -2.54 2.25 4.77 -0.21 -4.90 117.00 111.83 3i3j n LEU 1084Ca -0.06 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.35 3i3j n LEU 1084Cb 0.17 -0.53 0.05 0.00 -2.33 0.00 0.00 43.42 40.79 3i3j n LEU 1084CO 0.35 -0.37 0.13 0.61 -1.33 0.00 0.00 177.39 176.78 3i3j n GLY 1085N 0.10 -0.04 2.36 -0.72 0.00 -0.65 -4.99 105.19 101.24 3i3j n GLY 1085Ca 0.03 -0.08 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 3i3j n GLY 1085CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i3j n ILE 1086N -3.70 0.72 0.02 -0.61 -5.35 -0.46 -4.98 119.36 105.01 3i3j n ILE 1086Ca -0.07 -4.54 0.18 0.00 -0.27 0.00 0.00 62.75 58.06 3i3j n ILE 1086Cb 0.57 -2.01 0.67 0.00 -1.74 0.00 0.00 39.64 37.13 3i3j n ILE 1086CO 0.00 0.00 0.00 -0.65 -1.76 0.00 0.00 176.55 174.14 3i3j h PRO 1087N 4.32 0.02 -0.00 6.28 0.11 -1.95 -1.42 132.00 139.36 3i3j h PRO 1087Ca 0.15 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 3i3j h PRO 1087Cb 0.78 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.89 3i3j h PRO 1087CO 0.63 0.02 -0.02 -0.40 -0.21 0.00 0.00 178.00 178.02 3i3j n ASP 1088N -4.40 0.28 -0.17 -2.05 5.75 -1.26 -4.10 116.55 110.60 3i3j n ASP 1088Ca 0.08 -0.89 -0.01 0.00 -0.01 0.00 0.00 54.79 53.96 3i3j n ASP 1088Cb 0.53 -0.05 0.08 0.00 -1.03 0.00 0.00 41.12 40.65 3i3j n ASP 1088CO 0.00 0.00 0.00 0.22 -0.11 0.00 0.00 177.20 177.31 3i3j h TYR 1089N 0.42 0.11 0.00 2.11 3.20 -1.65 -1.37 116.97 119.79 3i3j h TYR 1089Ca 0.00 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.90 3i3j h TYR 1089Cb 0.16 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3i3j h TYR 1089CO 0.00 -0.05 0.00 1.19 -1.64 0.00 0.00 178.16 177.66 3i3j n PHE 1090N -5.16 0.81 0.09 -3.82 3.72 -1.26 -0.20 117.46 111.64 3i3j n PHE 1090Ca 0.07 0.25 -0.04 0.00 -0.05 0.00 0.00 57.45 57.68 3i3j n PHE 1090Cb 0.28 -0.91 0.17 0.00 -0.94 0.00 0.00 39.48 38.08 3i3j n PHE 1090CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 3i3j h ASP 1091N 0.00 0.27 0.02 4.37 3.32 -1.51 -3.36 116.42 119.53 3i3j h ASP 1091Ca 0.00 -0.13 -0.32 0.00 0.02 0.00 0.00 57.03 56.60 3i3j h ASP 1091Cb 0.62 -0.08 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 3i3j h ASP 1091CO 0.00 0.73 -1.75 -0.38 -1.72 0.00 0.00 179.24 176.12 3i3j n ILE 1092N -3.95 1.57 -3.37 0.35 2.08 -0.81 -4.84 119.36 110.40 3i3j n ILE 1092Ca -0.02 -0.24 -0.45 0.00 0.56 0.00 0.00 62.75 62.60 3i3j n ILE 1092Cb 0.54 -1.92 -0.07 0.00 -0.75 0.00 0.00 39.64 37.44 3i3j n ILE 1092CO 0.00 0.00 0.00 -0.69 0.56 0.00 0.00 176.55 176.42 3i3j s VAL 1093N -2.44 5.21 -0.12 1.39 1.01 0.72 -4.94 120.40 121.23 3i3j s VAL 1093Ca -0.31 -1.07 0.15 0.00 0.00 0.00 0.00 61.98 60.76 3i3j s VAL 1093Cb 0.08 -4.16 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 3i3j s VAL 1093CO 0.60 -0.62 1.19 0.11 0.00 0.00 0.00 175.10 176.38 3i3j h LYS 1094N 8.78 0.00 -2.79 2.72 1.79 -1.86 -3.40 116.57 121.81 3i3j h LYS 1094Ca -0.29 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.58 3i3j h LYS 1094Cb 1.11 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.36 3i3j h LYS 1094CO 0.90 0.46 -0.76 -1.12 -1.08 0.00 0.00 179.45 177.84 3i3j s SER 1095N -6.22 3.27 0.29 0.86 0.01 -1.26 -5.11 113.70 105.55 3i3j s SER 1095Ca 0.01 -3.24 -0.29 0.00 1.31 0.00 0.00 55.95 53.74 3i3j s SER 1095Cb 0.08 -1.03 -0.13 0.00 0.21 0.00 0.00 66.02 65.15 3i3j s SER 1095CO 0.78 -0.16 1.32 -2.65 0.41 0.00 0.00 173.24 172.93 3i3j n PRO 1096N 2.71 2.03 -3.94 12.44 -0.02 -1.26 -4.91 135.00 142.05 3i3j n PRO 1096Ca 0.20 0.72 -0.09 0.00 -2.02 0.00 0.00 63.50 62.31 3i3j n PRO 1096Cb 0.40 -2.31 -0.09 0.00 -0.02 0.00 0.00 33.50 31.47 3i3j n PRO 1096CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 3i3j s MET 1097N -1.24 0.63 0.26 -0.52 1.75 -1.26 -5.05 119.30 113.88 3i3j s MET 1097Ca 0.61 -0.85 -0.21 0.00 -1.25 0.00 0.00 55.69 54.00 3i3j s MET 1097Cb -0.61 0.25 0.05 0.00 2.84 0.00 0.00 34.83 37.36 3i3j s MET 1097CO 0.57 -0.16 0.87 0.16 -0.65 0.00 0.00 175.02 175.81 3i3j s ASP 1098N -2.34 -0.10 0.23 1.11 -4.77 -1.26 -4.72 116.67 104.82 3i3j s ASP 1098Ca -0.02 -0.74 -0.05 0.00 -3.30 0.00 0.00 52.55 48.44 3i3j s ASP 1098Cb 0.01 0.66 0.24 0.00 -1.09 0.00 0.00 42.92 42.74 3i3j s ASP 1098CO -0.06 -1.27 1.74 -0.07 0.70 0.00 0.00 175.17 176.21 3i3j h LEU 1099N 2.00 0.91 -0.22 2.11 3.38 -1.05 -2.31 115.31 120.13 3i3j h LEU 1099Ca -0.26 -0.21 -0.10 0.00 0.09 0.00 0.00 57.88 57.40 3i3j h LEU 1099Cb 1.24 -0.24 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3i3j h LEU 1099CO 0.32 0.93 -0.24 0.77 0.09 0.00 0.00 178.44 180.30 3i3j h SER 1100N 0.89 0.59 -0.79 -0.43 4.64 -1.75 -0.63 113.55 116.08 3i3j h SER 1100Ca 0.18 -0.49 0.07 0.00 -0.47 0.00 0.00 61.79 61.08 3i3j h SER 1100Cb 0.42 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 62.29 3i3j h SER 1100CO 0.01 0.96 0.47 0.74 -0.87 0.00 0.00 176.83 178.14 3i3j h THR 1101N 0.23 0.99 -0.56 2.95 2.02 -1.87 -0.55 112.91 116.12 3i3j h THR 1101Ca 0.03 -0.29 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 3i3j h THR 1101Cb 0.80 0.08 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 3i3j h THR 1101CO 0.06 0.15 -0.01 0.40 0.37 0.00 0.00 175.52 176.49 3i3j h ILE 1102N 0.84 1.27 -0.25 3.11 2.04 -1.19 -1.43 117.51 121.90 3i3j h ILE 1102Ca 0.35 -1.15 0.03 0.00 1.00 0.00 0.00 64.86 65.10 3i3j h ILE 1102Cb 0.22 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.15 3i3j h ILE 1102CO -0.19 0.41 0.06 0.50 0.00 0.00 0.00 178.15 178.93 3i3j h LYS 1103N 0.89 0.16 -0.23 2.37 1.63 -0.69 -0.95 116.57 119.76 3i3j h LYS 1103Ca 0.16 -0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.98 3i3j h LYS 1103Cb 0.56 -0.04 -0.03 0.00 -0.60 0.00 0.00 32.23 32.13 3i3j h LYS 1103CO 0.03 0.11 0.03 -0.09 -3.45 0.00 0.00 179.45 176.08 3i3j h ARG 1104N 0.17 0.10 -0.50 1.90 2.43 -0.91 0.14 114.38 117.72 3i3j h ARG 1104Ca 0.11 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.25 3i3j h ARG 1104Cb 0.10 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 3i3j h ARG 1104CO -0.14 0.07 0.19 0.87 -1.51 0.00 0.00 179.97 179.45 3i3j h LYS 1105N 0.11 0.71 -0.38 0.20 1.57 -1.04 0.17 116.57 117.91 3i3j h LYS 1105Ca 0.10 -0.10 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 3i3j h LYS 1105Cb 0.11 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 3i3j h LYS 1105CO -0.15 0.60 -0.26 1.25 -0.57 0.00 0.00 179.45 180.32 3i3j h LEU 1106N 0.71 0.88 -0.53 2.94 5.85 -0.55 0.56 115.31 125.16 3i3j h LEU 1106Ca 0.17 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.38 3i3j h LEU 1106Cb 0.16 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i3j h LEU 1106CO -0.02 1.12 0.03 0.44 -0.34 0.00 0.00 178.44 179.68 3i3j h ASP 1107N 0.65 0.89 -0.08 1.25 3.32 -0.15 -3.18 116.42 119.12 3i3j h ASP 1107Ca 0.08 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 56.83 3i3j h ASP 1107Cb 0.83 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.14 3i3j h ASP 1107CO 0.07 0.96 0.00 0.35 -1.72 0.00 0.00 179.24 178.90 3i3j n THR 1108N -4.32 0.10 -1.83 0.35 -2.24 -0.00 -4.89 114.28 101.44 3i3j n THR 1108Ca 0.02 -0.18 -0.08 0.00 -2.27 0.00 0.00 64.05 61.54 3i3j n THR 1108Cb 0.30 0.05 -0.01 0.00 -2.10 0.00 0.00 70.33 68.58 3i3j n THR 1108CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i3j n GLY 1109N 0.98 0.36 0.03 3.38 0.00 -1.02 -4.92 105.19 104.01 3i3j n GLY 1109Ca 0.16 -0.61 0.15 0.00 0.00 0.00 0.00 46.02 45.72 3i3j n GLY 1109CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 3i3j n GLN 1110N -2.10 0.56 -3.67 1.61 7.27 0.16 -4.59 117.38 116.62 3i3j n GLN 1110Ca -0.09 -0.07 -0.38 0.00 0.07 0.00 0.00 57.00 56.54 3i3j n GLN 1110Cb 0.46 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.50 3i3j n GLN 1110CO 0.00 0.00 0.00 0.71 0.07 0.00 0.00 177.06 177.84 3i3j s TYR 1111N -2.48 3.16 0.03 3.69 2.02 -1.25 -4.96 117.35 117.55 3i3j s TYR 1111Ca 0.31 -0.36 0.10 0.00 -0.37 0.00 0.00 57.07 56.74 3i3j s TYR 1111Cb 0.20 -2.32 -0.18 0.00 -0.40 0.00 0.00 41.96 39.27 3i3j s TYR 1111CO 0.46 -0.36 1.13 1.96 -1.57 0.00 0.00 175.55 177.17 3i3j h GLN 1112N 8.32 0.00 -3.86 -0.62 1.08 -1.95 -3.47 115.11 114.60 3i3j h GLN 1112Ca -0.35 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.69 3i3j h GLN 1112Cb 1.17 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 28.39 3i3j h GLN 1112CO 0.59 0.77 -0.63 -1.21 -0.95 0.00 0.00 178.83 177.40 3i3j s GLU 1113N -2.73 0.39 0.21 1.46 2.02 -1.26 -4.35 118.70 114.44 3i3j s GLU 1113Ca -0.00 -0.60 -0.10 0.00 0.02 0.00 0.00 54.97 54.29 3i3j s GLU 1113Cb 0.09 0.15 0.31 0.00 0.10 0.00 0.00 34.13 34.77 3i3j s GLU 1113CO 0.81 -0.08 1.69 -1.35 0.02 0.00 0.00 175.26 176.36 3i3j h PRO 1114N 4.41 0.22 -0.35 0.39 0.11 -2.00 -1.70 132.00 133.07 3i3j h PRO 1114Ca -0.32 -0.01 0.10 0.00 0.11 0.00 0.00 66.00 65.88 3i3j h PRO 1114Cb 1.20 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 3i3j h PRO 1114CO 0.43 0.14 0.27 0.11 -0.21 0.00 0.00 178.00 178.74 3i3j h TRP 1115N 0.22 0.00 -0.55 0.65 5.08 -1.99 0.46 115.95 119.82 3i3j h TRP 1115Ca 0.32 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.23 3i3j h TRP 1115Cb 0.50 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.64 3i3j h TRP 1115CO -0.27 0.00 0.07 1.96 -1.28 0.00 0.00 178.44 178.92 3i3j h GLN 1116N 0.00 0.88 -0.00 0.12 4.20 -1.74 0.45 115.11 119.02 3i3j h GLN 1116Ca 0.16 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 3i3j h GLN 1116Cb 0.69 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 28.36 3i3j h GLN 1116CO -0.00 0.83 -0.00 -0.92 -0.67 0.00 0.00 178.83 178.07 3i3j h TYR 1117N 0.83 0.00 -0.93 2.96 3.20 -1.01 -2.77 116.97 119.26 3i3j h TYR 1117Ca 0.17 -0.00 0.12 0.00 3.14 0.00 0.00 58.73 62.16 3i3j h TYR 1117Cb 0.39 -0.00 -0.09 0.00 1.54 0.00 0.00 36.73 38.58 3i3j h TYR 1117CO 0.02 0.42 0.56 0.28 -1.64 0.00 0.00 178.16 177.80 3i3j h VAL 1118N -0.42 0.87 -0.65 1.81 2.07 -1.18 -0.82 116.25 117.93 3i3j h VAL 1118Ca 0.00 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.19 3i3j h VAL 1118Cb 0.42 -0.07 -0.03 0.00 -1.52 0.00 0.00 31.29 30.09 3i3j h VAL 1118CO 0.00 0.16 0.27 0.44 0.02 0.00 0.00 177.57 178.45 3i3j h ASP 1119N 0.86 0.87 -0.37 0.57 5.19 -0.87 -0.70 116.42 121.96 3i3j h ASP 1119Ca 0.47 -0.12 -0.12 0.00 -0.62 0.00 0.00 57.03 56.65 3i3j h ASP 1119Cb 0.52 -0.22 -0.01 0.00 0.18 0.00 0.00 39.33 39.80 3i3j h ASP 1119CO -0.29 0.77 -0.24 0.44 -3.12 0.00 0.00 179.24 176.80 3i3j h ASP 1120N 0.93 0.86 -0.03 6.45 3.32 -0.89 -0.49 116.42 126.57 3i3j h ASP 1120Ca 0.22 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.87 3i3j h ASP 1120Cb 0.17 -0.24 -0.03 0.00 0.22 0.00 0.00 39.33 39.45 3i3j h ASP 1120CO -0.02 1.11 -0.15 0.40 -1.72 0.00 0.00 179.24 178.85 3i3j h ILE 1121N 0.62 0.62 -0.21 0.35 1.08 -0.75 -0.83 117.51 118.40 3i3j h ILE 1121Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.48 3i3j h ILE 1121Cb 0.81 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 35.17 3i3j h ILE 1121CO 0.07 0.00 -0.16 -0.50 -0.69 0.00 0.00 178.15 176.87 3i3j h TRP 1122N -0.23 0.37 -0.77 1.37 4.06 -1.09 -1.96 115.95 117.69 3i3j h TRP 1122Ca 0.06 -0.05 -0.05 0.00 2.06 0.00 0.00 58.89 60.91 3i3j h TRP 1122Cb 0.32 -0.10 -0.03 0.00 -1.00 0.00 0.00 29.16 28.34 3i3j h TRP 1122CO -0.22 0.49 0.30 1.25 -3.56 0.00 0.00 178.44 176.70 3i3j h LEU 1123N 0.32 1.07 -0.13 -4.49 5.85 -0.71 0.15 115.31 117.35 3i3j h LEU 1123Ca 0.06 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3i3j h LEU 1123Cb 0.47 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.22 3i3j h LEU 1123CO 0.03 0.95 0.06 -0.03 -0.34 0.00 0.00 178.44 179.11 3i3j h MET 1124N 1.13 0.19 -0.02 1.25 4.05 -0.61 -1.48 114.93 119.45 3i3j h MET 1124Ca 0.26 -0.03 -0.00 0.00 -0.28 0.00 0.00 59.70 59.65 3i3j h MET 1124Cb 0.22 -0.03 -0.00 0.00 -0.80 0.00 0.00 31.60 30.98 3i3j h MET 1124CO -0.02 0.25 0.01 0.74 0.23 0.00 0.00 176.91 178.13 3i3j h PHE 1125N 0.09 0.03 -0.80 1.39 0.04 -1.09 -2.65 116.94 113.95 3i3j h PHE 1125Ca 0.05 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.81 3i3j h PHE 1125Cb 0.12 -0.01 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 3i3j h PHE 1125CO -0.03 0.09 0.47 -0.91 -0.60 0.00 0.00 178.31 177.33 3i3j h ASN 1126N -0.04 0.97 -0.53 2.17 2.35 -0.70 -0.88 115.58 118.91 3i3j h ASN 1126Ca 0.01 -0.06 0.07 0.00 -0.55 0.00 0.00 56.30 55.77 3i3j h ASN 1126Cb 0.07 -0.24 -0.06 0.00 0.05 0.00 0.00 38.32 38.14 3i3j h ASN 1126CO -0.00 0.75 0.20 0.78 -1.65 0.00 0.00 177.43 177.51 3i3j h ASN 1127N 1.10 0.20 0.17 5.81 2.35 -1.10 0.20 115.58 124.31 3i3j h ASN 1127Ca 0.29 0.06 -0.01 0.00 -0.55 0.00 0.00 56.30 56.09 3i3j h ASN 1127Cb -0.02 0.04 0.00 0.00 0.05 0.00 0.00 38.32 38.39 3i3j h ASN 1127CO -0.05 0.14 -0.08 0.00 -1.65 0.00 0.00 177.43 175.79 3i3j h ALA 1128N 1.35 -0.23 -0.95 -0.83 0.00 -0.92 -0.09 119.26 117.60 3i3j h ALA 1128Ca 0.26 -0.16 0.09 0.00 0.00 0.00 0.00 54.91 55.10 3i3j h ALA 1128Cb 0.28 0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3i3j h ALA 1128CO -0.25 -0.49 0.61 -1.49 0.00 0.00 0.00 179.25 177.63 3i3j h TRP 1129N -0.51 1.07 0.17 0.00 6.55 -1.19 -0.42 115.95 121.61 3i3j h TRP 1129Ca -0.02 0.03 -0.01 0.00 0.95 0.00 0.00 58.89 59.84 3i3j h TRP 1129Cb 0.39 -0.35 0.00 0.00 -0.86 0.00 0.00 29.16 28.35 3i3j h TRP 1129CO 0.02 0.50 -0.08 1.25 -1.05 0.00 0.00 178.44 179.07 3i3j h LEU 1130N 0.99 -0.19 -0.41 -4.49 5.85 -0.80 -3.34 115.31 112.93 3i3j h LEU 1130Ca 0.44 -0.22 -0.18 0.00 0.84 0.00 0.00 57.88 58.75 3i3j h LEU 1130Cb 0.35 0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.42 3i3j h LEU 1130CO -0.19 0.12 -0.78 0.22 -0.34 0.00 0.00 178.44 177.47 3i3j h TYR 1131N -0.53 0.33 -2.74 1.25 3.20 -0.83 -3.46 116.97 114.19 3i3j h TYR 1131Ca -0.02 -0.16 -0.65 0.00 3.14 0.00 0.00 58.73 61.03 3i3j h TYR 1131Cb 0.40 -0.05 -0.06 0.00 1.54 0.00 0.00 36.73 38.56 3i3j h TYR 1131CO 0.02 0.92 -0.43 -0.80 -1.64 0.00 0.00 178.16 176.24 3i3j s ASN 1132N -6.93 6.47 0.47 -2.11 0.01 -0.18 -5.07 114.94 107.60 3i3j s ASN 1132Ca -0.04 0.55 -0.24 0.00 -0.71 0.00 0.00 52.86 52.42 3i3j s ASN 1132Cb 0.11 -2.10 -0.07 0.00 0.41 0.00 0.00 41.25 39.60 3i3j s ASN 1132CO 0.82 0.37 1.42 -0.13 -1.51 0.00 0.00 177.10 178.07 3i3j s ARG 1133N -1.18 3.55 0.19 -0.60 0.52 -1.26 -4.77 118.95 115.40 3i3j s ARG 1133Ca 0.19 2.40 0.16 0.00 -0.52 0.00 0.00 55.73 57.95 3i3j s ARG 1133Cb -0.13 -2.57 0.77 0.00 0.52 0.00 0.00 34.95 33.54 3i3j s ARG 1133CO 0.08 -0.91 1.48 0.36 0.02 0.00 0.00 175.30 176.33 3i3j n LYS 1134N -0.39 0.10 -0.15 3.54 2.85 -1.26 -0.40 118.16 122.45 3i3j n LYS 1134Ca 0.06 0.51 0.11 0.00 -1.05 0.00 0.00 58.31 57.94 3i3j n LYS 1134Cb 0.42 -1.77 0.18 0.00 -0.65 0.00 0.00 35.03 33.22 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 3i3j n THR 1135N -1.97 0.44 -2.23 0.58 -2.24 -1.26 -4.74 114.28 102.86 3i3j n THR 1135Ca 0.00 -0.72 -0.31 0.00 -2.27 0.00 0.00 64.05 60.75 3i3j n THR 1135Cb 0.09 1.03 -0.01 0.00 -2.10 0.00 0.00 70.33 69.34 3i3j n THR 1135CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3i3j s SER 1136N -1.45 6.40 0.08 3.42 1.04 0.47 -4.97 113.70 118.68 3i3j s SER 1136Ca 0.34 1.39 -0.26 0.00 0.48 0.00 0.00 55.95 57.89 3i3j s SER 1136Cb 0.20 -2.44 -0.16 0.00 0.10 0.00 0.00 66.02 63.72 3i3j s SER 1136CO 0.29 -0.70 1.69 -0.09 0.98 0.00 0.00 173.24 175.41 3i3j h ARG 1137N 0.32 -0.30 -0.73 4.02 2.43 -1.94 -2.53 114.38 115.64 3i3j h ARG 1137Ca -0.46 0.02 0.11 0.00 -0.81 0.00 0.00 59.98 58.84 3i3j h ARG 1137Cb 1.19 0.07 -0.08 0.00 -0.42 0.00 0.00 29.97 30.73 3i3j h ARG 1137CO 0.62 -0.19 0.36 0.28 -1.51 0.00 0.00 179.97 179.53 3i3j h VAL 1138N -0.32 0.80 -0.34 0.20 2.07 -1.94 0.46 116.25 117.18 3i3j h VAL 1138Ca -0.03 -0.20 0.05 0.00 0.82 0.00 0.00 66.70 67.34 3i3j h VAL 1138Cb 0.25 0.17 -0.04 0.00 -1.52 0.00 0.00 31.29 30.15 3i3j h VAL 1138CO 0.05 0.11 0.08 0.22 0.02 0.00 0.00 177.57 178.05 3i3j h TYR 1139N 0.58 0.13 -0.34 1.57 3.20 -1.76 0.65 116.97 121.01 3i3j h TYR 1139Ca 0.37 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.18 3i3j h TYR 1139Cb 0.44 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.69 3i3j h TYR 1139CO -0.11 0.03 -0.12 0.87 -1.64 0.00 0.00 178.16 177.19 3i3j h LYS 1140N 0.20 0.68 -0.63 1.82 6.56 -0.88 -1.63 116.57 122.69 3i3j h LYS 1140Ca 0.16 -0.28 0.12 0.00 -1.06 0.00 0.00 60.65 59.59 3i3j h LYS 1140Cb 0.17 -0.03 -0.09 0.00 -0.57 0.00 0.00 32.23 31.71 3i3j h LYS 1140CO -0.20 0.87 0.13 1.88 -2.06 0.00 0.00 179.45 180.07 3i3j h TYR 1141N 0.46 0.20 -0.45 -1.35 -1.99 -0.71 -1.41 116.97 111.73 3i3j h TYR 1141Ca 0.08 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.88 3i3j h TYR 1141Cb 0.64 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.34 3i3j h TYR 1141CO 0.05 -0.05 0.23 0.00 -0.00 0.00 0.00 178.16 178.39 3i3j h SER 1143N 0.45 0.88 -0.05 0.00 0.02 -0.65 -0.36 113.55 113.84 3i3j h SER 1143Ca 0.19 -0.02 0.00 0.00 -0.84 0.00 0.00 61.79 61.13 3i3j h SER 1143Cb 0.10 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 62.43 3i3j h SER 1143CO -0.14 0.63 0.04 0.50 -1.14 0.00 0.00 176.83 176.72 3i3j h LYS 1144N 1.04 0.07 -0.49 3.45 1.63 -0.75 -1.94 116.57 119.58 3i3j h LYS 1144Ca 0.30 -0.00 0.06 0.00 -0.85 0.00 0.00 60.65 60.16 3i3j h LYS 1144Cb -0.07 -0.02 -0.05 0.00 -0.60 0.00 0.00 32.23 31.49 3i3j h LYS 1144CO -0.08 0.05 0.19 -0.07 -3.45 0.00 0.00 179.45 176.09 3i3j h LEU 1145N 0.07 0.22 -0.72 5.20 3.38 -0.82 -1.06 115.31 121.58 3i3j h LEU 1145Ca 0.02 0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.20 3i3j h LEU 1145Cb -0.00 0.02 -0.12 0.00 0.09 0.00 0.00 40.66 40.64 3i3j h LEU 1145CO -0.00 0.16 0.02 -1.28 0.09 0.00 0.00 178.44 177.42 3i3j h SER 1146N 0.38 -0.30 -0.45 -0.43 0.87 -0.81 0.15 113.55 112.97 3i3j h SER 1146Ca 0.23 0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.86 3i3j h SER 1146Cb 0.22 0.32 -0.01 0.00 -0.44 0.00 0.00 62.40 62.48 3i3j h SER 1146CO -0.22 -0.15 -0.17 -0.33 -0.53 0.00 0.00 176.83 175.43 3i3j h GLU 1147N 0.12 0.91 -0.38 2.24 3.07 -0.54 -1.99 114.58 118.00 3i3j h GLU 1147Ca 0.39 -0.38 -0.01 0.00 -0.50 0.00 0.00 59.36 58.87 3i3j h GLU 1147Cb 0.68 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 28.54 3i3j h GLU 1147CO -0.62 1.03 0.21 0.28 -1.40 0.00 0.00 179.01 178.51 3i3j h VAL 1148N 0.74 1.14 -0.14 3.13 2.07 -0.53 -2.93 116.25 119.73 3i3j h VAL 1148Ca 0.10 -0.35 0.02 0.00 0.82 0.00 0.00 66.70 67.30 3i3j h VAL 1148Cb 0.73 0.68 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 3i3j h VAL 1148CO 0.06 0.14 -0.01 0.15 0.02 0.00 0.00 177.57 177.93 3i3j h PHE 1149N 0.49 -0.02 -0.75 1.57 3.57 -0.56 -1.85 116.94 119.38 3i3j h PHE 1149Ca 0.13 0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.75 3i3j h PHE 1149Cb 0.04 0.03 -0.08 0.00 2.79 0.00 0.00 35.95 38.73 3i3j h PHE 1149CO -0.03 -0.03 0.38 0.93 -2.23 0.00 0.00 178.31 177.33 3i3j h GLU 1150N 0.03 0.61 -0.39 1.11 3.07 -1.29 0.37 114.58 118.09 3i3j h GLU 1150Ca 0.06 -0.04 -0.07 0.00 -0.50 0.00 0.00 59.36 58.81 3i3j h GLU 1150Cb 0.08 -0.14 -0.02 0.00 -0.84 0.00 0.00 28.75 27.84 3i3j h GLU 1150CO -0.12 0.40 -0.07 1.96 -1.40 0.00 0.00 179.01 179.79 3i3j h GLN 1151N 0.62 0.66 -0.01 2.33 4.20 -1.32 -3.20 115.11 118.40 3i3j h GLN 1151Ca 0.38 -0.19 -0.05 0.00 0.06 0.00 0.00 58.65 58.85 3i3j h GLN 1151Cb 0.43 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.14 3i3j h GLN 1151CO -0.29 0.72 -0.20 0.93 -0.67 0.00 0.00 178.83 179.33 3i3j h GLU 1152N 0.61 0.15 -0.02 1.46 3.07 -0.12 -3.39 114.58 116.35 3i3j h GLU 1152Ca 0.11 -0.15 -0.18 0.00 -0.50 0.00 0.00 59.36 58.64 3i3j h GLU 1152Cb 0.49 0.04 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 3i3j h GLU 1152CO 0.03 0.86 -0.79 0.82 -1.40 0.00 0.00 179.01 178.53 3i3j h ILE 1153N -0.50 1.46 0.14 3.13 5.03 -0.42 -3.35 117.51 123.00 3i3j h ILE 1153Ca -0.02 -2.43 0.02 0.00 -0.12 0.00 0.00 64.86 62.31 3i3j h ILE 1153Cb 0.92 2.32 -0.04 0.00 -3.03 0.00 0.00 36.82 37.00 3i3j h ILE 1153CO 0.04 0.71 -0.34 0.44 -0.68 0.00 0.00 178.15 178.32 3i3j h ASP 1154N 0.13 -0.97 -0.20 1.72 5.19 -1.74 -0.73 116.42 119.82 3i3j h ASP 1154Ca -0.03 0.11 -0.04 0.00 -0.62 0.00 0.00 57.03 56.45 3i3j h ASP 1154Cb 1.38 0.36 -0.02 0.00 0.18 0.00 0.00 39.33 41.24 3i3j h ASP 1154CO 0.12 -0.43 0.02 -0.65 -3.12 0.00 0.00 179.24 175.18 3i3j h PRO 1155N -0.58 0.45 -0.42 3.56 0.11 -1.81 -2.79 132.00 130.52 3i3j h PRO 1155Ca 0.03 -0.08 -0.08 0.00 0.11 0.00 0.00 66.00 65.98 3i3j h PRO 1155Cb 0.60 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.62 3i3j h PRO 1155CO -0.19 0.46 -0.04 0.28 -0.21 0.00 0.00 178.00 178.31 3i3j h VAL 1156N 0.44 1.27 -0.65 3.15 2.07 -1.57 -2.88 116.25 118.08 3i3j h VAL 1156Ca 0.10 -1.09 -0.05 0.00 0.82 0.00 0.00 66.70 66.48 3i3j h VAL 1156Cb 0.26 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.13 3i3j h VAL 1156CO 0.00 0.37 0.19 0.24 0.02 0.00 0.00 177.57 178.39 3i3j h MET 1157N 0.59 0.99 -0.71 1.57 2.86 -0.89 -2.60 114.93 116.74 3i3j h MET 1157Ca 0.11 -0.20 0.01 0.00 -2.06 0.00 0.00 59.70 57.56 3i3j h MET 1157Cb 0.54 -0.15 -0.04 0.00 0.06 0.00 0.00 31.60 32.01 3i3j h MET 1157CO 0.03 0.86 0.47 1.96 1.06 0.00 0.00 176.91 181.29 3i3j h GLN 1158N 0.96 0.92 0.00 1.72 4.20 -1.41 -1.66 115.11 119.83 3i3j h GLN 1158Ca 0.21 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3i3j h GLN 1158Cb 0.29 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.87 3i3j h GLN 1158CO -0.01 0.61 0.00 0.43 -0.67 0.00 0.00 178.83 179.19 3i3j n SER 1159N -4.60 0.56 -0.75 1.46 7.64 -1.00 -5.14 113.62 111.79 3i3j n SER 1159Ca 0.07 0.66 0.09 0.00 1.01 0.00 0.00 58.87 60.70 3i3j n SER 1159Cb 0.03 -0.77 0.08 0.00 -1.01 0.00 0.00 64.21 62.53 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21