#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i3j s ILE 1048N 0.00 4.90 -0.25 -0.18 -5.25 -1.26 -5.04 121.20 114.12 3i3j s ILE 1048Ca 0.00 1.45 -0.06 0.00 -0.99 0.00 0.00 60.65 61.06 3i3j s ILE 1048Cb 0.00 -4.04 -0.01 0.00 2.95 0.00 0.00 42.46 41.36 3i3j s ILE 1048CO 0.00 0.34 0.03 -0.36 -1.79 0.00 0.00 174.94 173.15 3i3j s PHE 1049N 0.23 3.05 0.13 1.37 0.08 -1.26 -5.08 117.98 116.50 3i3j s PHE 1049Ca 0.36 -0.78 -0.31 0.00 0.12 0.00 0.00 56.93 56.32 3i3j s PHE 1049Cb -0.19 -2.19 -0.10 0.00 -0.57 0.00 0.00 43.02 39.98 3i3j s PHE 1049CO 0.20 -0.49 1.67 -1.59 -0.10 0.00 0.00 175.22 174.90 3i3j s LYS 1050N 1.53 4.18 0.43 0.44 -2.85 -1.26 -4.88 119.74 117.33 3i3j s LYS 1050Ca 0.05 2.43 0.21 0.00 -1.00 0.00 0.00 55.97 57.66 3i3j s LYS 1050Cb -0.15 -3.39 1.17 0.00 -2.06 0.00 0.00 37.83 33.39 3i3j s LYS 1050CO 0.01 -0.72 1.82 -1.35 0.10 0.00 0.00 175.35 175.21 3i3j h PRO 1051N 7.71 0.32 0.03 1.78 0.11 -1.95 0.13 132.00 140.13 3i3j h PRO 1051Ca -0.43 -0.02 -0.22 0.00 0.11 0.00 0.00 66.00 65.44 3i3j h PRO 1051Cb 1.21 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 3i3j h PRO 1051CO 0.93 0.21 -0.99 1.49 -0.21 0.00 0.00 178.00 179.43 3i3j h GLU 1052N 0.33 0.13 -0.54 1.05 4.57 -1.97 -1.65 114.58 116.50 3i3j h GLU 1052Ca 0.53 -0.18 -0.07 0.00 -1.18 0.00 0.00 59.36 58.46 3i3j h GLU 1052Cb 1.46 0.06 -0.02 0.00 -0.16 0.00 0.00 28.75 30.08 3i3j h GLU 1052CO -0.20 1.01 0.07 0.93 -1.18 0.00 0.00 179.01 179.65 3i3j h GLU 1053N 0.05 0.87 0.28 1.92 3.07 -1.15 -1.26 114.58 118.36 3i3j h GLU 1053Ca -0.05 -0.21 -0.01 0.00 -0.50 0.00 0.00 59.36 58.58 3i3j h GLU 1053Cb 1.69 -0.11 0.00 0.00 -0.84 0.00 0.00 28.75 29.49 3i3j h GLU 1053CO 0.15 0.83 -0.13 1.25 -1.40 0.00 0.00 179.01 179.70 3i3j h LEU 1054N 0.83 -0.31 -0.69 1.33 5.85 -1.30 -2.73 115.31 118.29 3i3j h LEU 1054Ca 0.17 -0.22 0.14 0.00 0.84 0.00 0.00 57.88 58.81 3i3j h LEU 1054Cb 0.39 0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.41 3i3j h LEU 1054CO 0.01 0.11 0.19 -0.09 -0.34 0.00 0.00 178.44 178.32 3i3j h ARG 1055N -0.81 0.30 -0.44 1.25 2.43 -1.25 0.36 114.38 116.22 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 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 3i3j h ARG 1055CO 0.06 0.20 -0.03 1.96 -1.51 0.00 0.00 179.97 180.66 3i3j h GLN 1056N 0.31 0.74 0.15 0.20 4.20 -1.26 -0.70 115.11 118.74 3i3j h GLN 1056Ca 0.38 -0.20 -0.31 0.00 0.06 0.00 0.00 58.65 58.58 3i3j h GLN 1056Cb 0.60 -0.08 0.03 0.00 0.30 0.00 0.00 27.48 28.33 3i3j h GLN 1056CO -0.45 0.77 -1.29 0.00 -0.67 0.00 0.00 178.83 177.19 3i3j h ALA 1057N 1.29 -0.03 0.01 3.87 0.00 -0.93 -3.38 119.26 120.09 3i3j h ALA 1057Ca 0.13 -0.79 -0.29 0.00 0.00 0.00 0.00 54.91 53.96 3i3j h ALA 1057Cb 0.46 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3i3j h ALA 1057CO 0.02 0.70 -1.69 -0.07 0.00 0.00 0.00 179.25 178.21 3i3j h LEU 1058N 0.25 0.04 -0.64 0.00 3.38 -0.93 -3.39 115.31 114.02 3i3j h LEU 1058Ca -0.20 -0.08 0.10 0.00 0.09 0.00 0.00 57.88 57.79 3i3j h LEU 1058Cb 1.97 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 42.63 3i3j h LEU 1058CO 0.24 1.07 0.23 -0.03 0.09 0.00 0.00 178.44 180.05 3i3j h MET 1059N 0.01 0.39 -0.86 1.13 4.05 -1.30 -1.36 114.93 116.98 3i3j h MET 1059Ca -0.28 -0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.22 3i3j h MET 1059Cb 2.00 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 32.65 3i3j h MET 1059CO 0.08 0.26 0.56 -1.35 0.23 0.00 0.00 176.91 176.69 3i3j h PRO 1060N 0.41 0.77 -0.07 0.39 0.11 -1.78 0.17 132.00 132.01 3i3j h PRO 1060Ca 0.33 -0.05 -0.09 0.00 0.11 0.00 0.00 66.00 66.30 3i3j h PRO 1060Cb 0.43 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.35 3i3j h PRO 1060CO -0.33 0.51 -0.39 1.79 -0.21 0.00 0.00 178.00 179.37 3i3j h THR 1061N 0.80 1.30 -0.01 -1.15 1.35 -1.49 -1.23 112.91 112.46 3i3j h THR 1061Ca 0.41 -1.43 -0.21 0.00 -0.55 0.00 0.00 66.41 64.63 3i3j h THR 1061Cb 0.49 1.69 -0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3i3j h THR 1061CO -0.17 0.42 -0.88 0.25 -0.25 0.00 0.00 175.52 174.88 3i3j h LEU 1062N 0.12 0.44 -0.65 3.87 5.85 -0.67 -3.08 115.31 121.19 3i3j h LEU 1062Ca 0.01 -0.34 -0.10 0.00 0.84 0.00 0.00 57.88 58.29 3i3j h LEU 1062Cb 0.75 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.63 3i3j h LEU 1062CO 0.06 1.13 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.87 3i3j h GLU 1063N 0.20 0.97 -0.79 1.25 5.08 -0.40 -1.71 114.58 119.18 3i3j h GLU 1063Ca -0.06 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.01 3i3j h GLU 1063Cb 1.50 -0.07 -0.06 0.00 0.50 0.00 0.00 28.75 30.62 3i3j h GLU 1063CO 0.15 1.01 0.49 0.00 -1.00 0.00 0.00 179.01 179.65 3i3j h ALA 1064N 1.02 1.07 -0.32 3.43 0.00 -1.23 0.71 119.26 123.94 3i3j h ALA 1064Ca 0.14 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i3j h ALA 1064Cb 0.63 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i3j h ALA 1064CO 0.04 0.24 -0.11 -0.07 0.00 0.00 0.00 179.25 179.36 3i3j h LEU 1065N 0.91 0.66 -1.18 0.00 3.38 -1.42 -3.00 115.31 114.66 3i3j h LEU 1065Ca 0.34 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.90 3i3j h LEU 1065Cb 0.12 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 3i3j h LEU 1065CO -0.15 0.89 0.21 0.22 0.09 0.00 0.00 178.44 179.70 3i3j h TYR 1066N 0.42 0.78 -0.00 1.13 3.20 -0.67 -2.00 116.97 119.82 3i3j h TYR 1066Ca 0.08 -0.04 0.00 0.00 3.14 0.00 0.00 58.73 61.91 3i3j h TYR 1066Cb 0.62 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.65 3i3j h TYR 1066CO 0.05 0.61 -0.01 0.54 -1.64 0.00 0.00 178.16 177.72 3i3j n ARG 1067N -4.33 1.12 -2.28 1.82 1.74 0.19 -4.71 116.66 110.20 3i3j n ARG 1067Ca 0.04 -0.25 -0.43 0.00 -0.77 0.00 0.00 57.85 56.45 3i3j n ARG 1067Cb 0.16 -1.49 -0.02 0.00 -1.02 0.00 0.00 32.46 30.08 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 -2.05 3.44 -0.12 5.56 -1.52 -0.75 -4.98 119.66 119.23 3i3j s GLN 1068Ca 0.44 0.92 0.01 0.00 -1.95 0.00 0.00 55.36 54.77 3i3j s GLN 1068Cb 0.22 -4.09 -0.01 0.00 -0.22 0.00 0.00 33.01 28.90 3i3j s GLN 1068CO 0.37 -1.74 -0.16 0.34 -0.25 0.00 0.00 175.29 173.85 3i3j s ASP 1069N 4.59 3.73 0.00 5.90 2.15 -1.26 -0.89 116.67 130.90 3i3j s ASP 1069Ca 0.63 -0.40 0.27 0.00 0.43 0.00 0.00 52.55 53.48 3i3j s ASP 1069Cb -0.15 -1.54 0.85 0.00 -0.30 0.00 0.00 42.92 41.78 3i3j s ASP 1069CO 0.31 0.17 1.62 -0.81 -0.17 0.00 0.00 175.17 176.29 3i3j n PRO 1070N 3.51 1.29 -0.35 4.34 -0.05 -1.26 -4.97 135.00 137.50 3i3j n PRO 1070Ca -0.18 -0.78 0.13 0.00 -0.05 0.00 0.00 63.50 62.62 3i3j n PRO 1070Cb 0.53 -1.48 0.33 0.00 -0.05 0.00 0.00 33.50 32.82 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 1.91 0.73 0.00 0.54 3.07 -1.90 -1.73 114.58 117.19 3i3j h GLU 1071Ca 0.00 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.82 3i3j h GLU 1071Cb 0.53 -0.16 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3i3j h GLU 1071CO 0.00 0.48 0.00 -1.13 -1.40 0.00 0.00 179.01 176.96 3i3j n SER 1072N -4.75 0.79 -0.25 1.42 3.41 -0.07 -4.18 113.62 109.98 3i3j n SER 1072Ca 0.23 0.58 -0.01 0.00 -0.26 0.00 0.00 58.87 59.41 3i3j n SER 1072Cb 0.58 -0.79 0.06 0.00 -0.26 0.00 0.00 64.21 63.80 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 -0.88 0.00 1.04 3.38 -1.51 0.71 115.31 118.04 3i3j h LEU 1073Ca 0.00 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.20 3i3j h LEU 1073Cb 0.72 0.52 0.00 0.00 0.09 0.00 0.00 40.66 41.99 3i3j h LEU 1073CO 0.00 -0.27 0.00 -2.65 0.09 0.00 0.00 178.44 175.61 3i3j n PRO 1074N -5.48 0.19 -0.19 1.13 -0.02 -1.26 -3.10 135.00 126.28 3i3j n PRO 1074Ca 0.08 0.15 0.06 0.00 -2.02 0.00 0.00 63.50 61.78 3i3j n PRO 1074Cb 0.38 -1.50 0.15 0.00 -0.02 0.00 0.00 33.50 32.50 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 -1.30 0.41 0.42 6.00 3.72 0.23 -4.70 117.46 122.24 3i3j n PHE 1075Ca 0.07 -0.69 0.12 0.00 -0.05 0.00 0.00 57.45 56.90 3i3j n PHE 1075Cb 0.12 -0.13 0.08 0.00 -0.94 0.00 0.00 39.48 38.61 3i3j n PHE 1075CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 3i3j n ARG 1076N -0.32 0.39 -4.01 -1.08 1.74 -1.18 -0.51 116.66 111.69 3i3j n ARG 1076Ca 0.12 0.07 -0.09 0.00 -0.77 0.00 0.00 57.85 57.19 3i3j n ARG 1076Cb 0.55 -1.71 -0.11 0.00 -1.02 0.00 0.00 32.46 30.18 3i3j n ARG 1076CO 0.00 0.00 0.00 1.14 -1.52 0.00 0.00 177.63 177.25 3i3j s GLN 1077N -3.24 0.40 0.64 5.56 0.00 -1.26 -3.61 119.66 118.14 3i3j s GLN 1077Ca 0.03 -0.77 -0.18 0.00 -0.00 0.00 0.00 55.36 54.45 3i3j s GLN 1077Cb 0.12 0.11 -0.03 0.00 0.00 0.00 0.00 33.01 33.21 3i3j s GLN 1077CO 0.76 -0.06 1.00 -2.30 0.00 0.00 0.00 175.29 174.69 3i3j n PRO 1078N 1.23 0.81 -2.44 9.60 -0.02 -1.26 -4.86 135.00 138.06 3i3j n PRO 1078Ca -0.21 0.33 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3i3j n PRO 1078Cb 0.56 -2.22 -0.03 0.00 -0.02 0.00 0.00 33.50 31.79 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 -1.57 3.89 -0.51 -1.45 1.01 -1.26 -5.01 120.40 115.50 3i3j s VAL 1079Ca 0.77 1.48 -0.00 0.00 0.00 0.00 0.00 61.98 64.22 3i3j s VAL 1079Cb -0.39 -3.95 0.13 0.00 0.00 0.00 0.00 36.38 32.17 3i3j s VAL 1079CO 0.46 0.18 0.29 -0.62 0.00 0.00 0.00 175.10 175.41 3i3j s ASP 1080N 0.51 4.94 0.47 3.32 -1.08 -1.26 -4.96 116.67 118.60 3i3j s ASP 1080Ca 0.55 -2.62 0.12 0.00 -0.52 0.00 0.00 52.55 50.07 3i3j s ASP 1080Cb -0.30 -1.76 1.08 0.00 -1.46 0.00 0.00 42.92 40.47 3i3j s ASP 1080CO 0.33 -0.37 2.11 -0.65 0.52 0.00 0.00 175.17 177.10 3i3j h PRO 1081N 7.19 0.25 0.81 4.34 0.11 -1.95 -0.73 132.00 142.03 3i3j h PRO 1081Ca -0.06 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 3i3j h PRO 1081Cb 0.97 -0.06 0.01 0.00 0.11 0.00 0.00 31.00 32.03 3i3j h PRO 1081CO 0.68 0.17 -0.39 0.37 -0.21 0.00 0.00 178.00 178.62 3i3j h GLN 1082N 0.26 -1.04 -0.34 1.05 4.15 -1.93 -0.52 115.11 116.74 3i3j h GLN 1082Ca 0.07 0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.59 3i3j h GLN 1082Cb -0.03 0.24 -0.03 0.00 0.21 0.00 0.00 27.48 27.87 3i3j h GLN 1082CO -0.01 -0.70 0.15 -0.07 -1.93 0.00 0.00 178.83 176.27 3i3j h LEU 1083N -1.11 0.21 0.00 -2.39 3.38 -1.93 -2.88 115.31 110.59 3i3j h LEU 1083Ca -0.11 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.88 3i3j h LEU 1083Cb 0.83 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.57 3i3j h LEU 1083CO 0.18 0.16 0.00 0.18 0.09 0.00 0.00 178.44 179.05 3i3j n LEU 1084N -4.97 0.00 -3.15 1.67 4.77 -0.30 -4.91 117.00 110.11 3i3j n LEU 1084Ca 0.00 0.49 -0.17 0.00 -0.03 0.00 0.00 56.01 56.30 3i3j n LEU 1084Cb 0.09 -0.49 0.07 0.00 -2.33 0.00 0.00 43.42 40.77 3i3j n LEU 1084CO 0.30 -0.13 0.14 0.61 -1.33 0.00 0.00 177.39 176.98 3i3j n GLY 1085N 0.68 -0.29 2.32 -0.72 0.00 -0.59 -4.98 105.19 101.60 3i3j n GLY 1085Ca 0.05 0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.89 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 -4.11 0.59 -0.20 -0.61 -5.35 -0.30 -4.97 119.36 104.40 3i3j n ILE 1086Ca -0.15 -4.50 0.20 0.00 -0.27 0.00 0.00 62.75 58.04 3i3j n ILE 1086Cb 0.61 -2.01 0.56 0.00 -1.74 0.00 0.00 39.64 37.06 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 4.20 0.30 0.00 6.28 0.11 -1.94 -1.65 132.00 139.30 3i3j h PRO 1087Ca 0.13 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.23 3i3j h PRO 1087Cb 0.79 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.83 3i3j h PRO 1087CO 0.62 0.20 0.00 -0.40 -0.21 0.00 0.00 178.00 178.20 3i3j n ASP 1088N -4.45 0.00 -0.14 -2.05 5.75 -1.26 -4.11 116.55 110.28 3i3j n ASP 1088Ca 0.18 -0.87 -0.04 0.00 -0.01 0.00 0.00 54.79 54.05 3i3j n ASP 1088Cb 0.72 -0.03 0.05 0.00 -1.03 0.00 0.00 41.12 40.83 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 0.00 0.19 0.00 2.11 3.20 -1.70 -1.75 116.97 119.02 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 0.03 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 38.28 3i3j h TYR 1089CO 0.00 0.03 0.00 0.74 -1.64 0.00 0.00 178.16 177.29 3i3j h PHE 1090N 0.26 0.00 -0.28 -3.82 0.04 -1.79 0.19 116.94 111.54 3i3j h PHE 1090Ca 0.22 0.00 -0.09 0.00 2.80 0.00 0.00 57.97 60.90 3i3j h PHE 1090Cb 0.26 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.40 3i3j h PHE 1090CO -0.20 0.00 -0.22 -0.44 -0.60 0.00 0.00 178.31 176.85 3i3j h ASP 1091N 0.00 0.52 0.06 2.17 3.32 -1.58 -3.35 116.42 117.56 3i3j h ASP 1091Ca 0.00 -0.17 -0.33 0.00 0.02 0.00 0.00 57.03 56.55 3i3j h ASP 1091Cb 0.67 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 3i3j h ASP 1091CO 0.00 0.75 -1.87 -0.38 -1.72 0.00 0.00 179.24 176.02 3i3j n ILE 1092N -4.14 1.65 -3.51 0.35 2.08 -0.87 -4.83 119.36 110.09 3i3j n ILE 1092Ca -0.00 -0.42 -0.42 0.00 0.56 0.00 0.00 62.75 62.47 3i3j n ILE 1092Cb 0.39 -1.81 -0.09 0.00 -0.75 0.00 0.00 39.64 37.38 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 -2.49 4.63 -0.03 1.39 1.01 0.62 -4.95 120.40 120.59 3i3j s VAL 1093Ca -0.27 -1.28 0.12 0.00 0.00 0.00 0.00 61.98 60.55 3i3j s VAL 1093Cb 0.07 -3.81 -0.11 0.00 0.00 0.00 0.00 36.38 32.53 3i3j s VAL 1093CO 0.67 -0.54 1.19 0.11 0.00 0.00 0.00 175.10 176.53 3i3j h LYS 1094N 8.55 0.00 -2.85 2.72 1.79 -1.86 -3.40 116.57 121.52 3i3j h LYS 1094Ca -0.25 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.61 3i3j h LYS 1094Cb 1.09 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.34 3i3j h LYS 1094CO 0.81 0.67 -0.74 -1.12 -1.08 0.00 0.00 179.45 177.99 3i3j s SER 1095N -6.41 3.47 0.30 0.86 0.01 -1.26 -5.11 113.70 105.55 3i3j s SER 1095Ca 0.01 -3.28 -0.29 0.00 1.31 0.00 0.00 55.95 53.69 3i3j s SER 1095Cb 0.09 -1.11 -0.13 0.00 0.21 0.00 0.00 66.02 65.07 3i3j s SER 1095CO 0.79 -0.16 1.29 -2.65 0.41 0.00 0.00 173.24 172.92 3i3j n PRO 1096N 2.66 1.97 -4.01 12.44 -0.02 -1.26 -4.91 135.00 141.88 3i3j n PRO 1096Ca 0.20 0.70 -0.08 0.00 -2.02 0.00 0.00 63.50 62.29 3i3j n PRO 1096Cb 0.39 -2.27 -0.09 0.00 -0.02 0.00 0.00 33.50 31.50 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 -1.33 0.65 0.18 -0.52 1.75 -1.26 -5.04 119.30 113.73 3i3j s MET 1097Ca 0.60 -1.06 -0.24 0.00 -1.25 0.00 0.00 55.69 53.74 3i3j s MET 1097Cb -0.62 0.24 0.06 0.00 2.84 0.00 0.00 34.83 37.35 3i3j s MET 1097CO 0.58 -0.15 0.94 0.16 -0.65 0.00 0.00 175.02 175.89 3i3j s ASP 1098N -2.73 -0.16 0.24 1.11 -4.77 -1.26 -4.73 116.67 104.37 3i3j s ASP 1098Ca 0.04 -0.49 -0.06 0.00 -3.30 0.00 0.00 52.55 48.74 3i3j s ASP 1098Cb 0.05 0.53 0.23 0.00 -1.09 0.00 0.00 42.92 42.64 3i3j s ASP 1098CO -0.09 -1.00 1.83 -0.07 0.70 0.00 0.00 175.17 176.54 3i3j h LEU 1099N 2.00 1.06 -0.28 2.11 3.38 -1.06 -2.13 115.31 120.39 3i3j h LEU 1099Ca -0.24 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.51 3i3j h LEU 1099Cb 1.23 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.70 3i3j h LEU 1099CO 0.27 0.91 -0.15 0.77 0.09 0.00 0.00 178.44 180.33 3i3j h SER 1100N 1.15 0.62 -0.84 -0.43 4.64 -1.74 -0.93 113.55 116.03 3i3j h SER 1100Ca 0.28 -0.42 0.06 0.00 -0.47 0.00 0.00 61.79 61.24 3i3j h SER 1100Cb 0.14 -0.17 -0.06 0.00 -0.31 0.00 0.00 62.40 61.99 3i3j h SER 1100CO -0.03 0.90 0.52 0.74 -0.87 0.00 0.00 176.83 178.09 3i3j h THR 1101N 0.34 1.03 -0.57 2.95 2.02 -1.84 -0.79 112.91 116.05 3i3j h THR 1101Ca 0.06 -0.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.81 3i3j h THR 1101Cb 0.67 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3i3j h THR 1101CO 0.04 0.17 -0.07 0.40 0.37 0.00 0.00 175.52 176.44 3i3j h ILE 1102N 0.95 1.27 -0.23 3.11 2.04 -1.17 -1.69 117.51 121.79 3i3j h ILE 1102Ca 0.37 -1.23 0.00 0.00 1.00 0.00 0.00 64.86 65.00 3i3j h ILE 1102Cb 0.17 0.89 -0.01 0.00 -0.74 0.00 0.00 36.82 37.14 3i3j h ILE 1102CO -0.17 0.44 0.15 0.50 0.00 0.00 0.00 178.15 179.06 3i3j h LYS 1103N 0.95 0.29 -0.30 2.37 1.63 -0.70 -0.96 116.57 119.85 3i3j h LYS 1103Ca 0.15 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.98 3i3j h LYS 1103Cb 0.64 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.16 3i3j h LYS 1103CO 0.04 0.19 0.07 0.07 -3.45 0.00 0.00 179.45 176.37 3i3j h ARG 1104N 0.30 0.18 -0.74 1.90 0.11 -0.94 0.42 114.38 115.61 3i3j h ARG 1104Ca 0.08 -0.01 -0.01 0.00 0.10 0.00 0.00 59.98 60.15 3i3j h ARG 1104Cb -0.03 -0.04 -0.04 0.00 1.11 0.00 0.00 29.97 30.97 3i3j h ARG 1104CO -0.02 0.12 0.44 0.87 0.10 0.00 0.00 179.97 181.48 3i3j h LYS 1105N 0.18 1.00 -0.53 0.08 1.57 -1.10 0.65 116.57 118.43 3i3j h LYS 1105Ca 0.14 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 3i3j h LYS 1105Cb 0.14 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3i3j h LYS 1105CO -0.17 0.71 -0.13 1.25 -0.57 0.00 0.00 179.45 180.53 3i3j h LEU 1106N 1.02 1.03 -0.40 2.94 5.85 -0.64 0.86 115.31 125.98 3i3j h LEU 1106Ca 0.27 -0.35 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 3i3j h LEU 1106Cb -0.03 -0.28 -0.00 0.00 0.37 0.00 0.00 40.66 40.71 3i3j h LEU 1106CO -0.05 1.15 -0.48 0.44 -0.34 0.00 0.00 178.44 179.16 3i3j h ASP 1107N 0.90 0.90 -0.14 1.25 3.32 -0.13 -3.16 116.42 119.36 3i3j h ASP 1107Ca 0.13 -0.45 0.00 0.00 0.02 0.00 0.00 57.03 56.73 3i3j h ASP 1107Cb 0.71 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3i3j h ASP 1107CO 0.05 1.23 0.00 0.35 -1.72 0.00 0.00 179.24 179.15 3i3j n THR 1108N -4.02 0.18 -1.95 0.35 -2.24 0.15 -4.90 114.28 101.86 3i3j n THR 1108Ca -0.03 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.40 3i3j n THR 1108Cb 0.59 0.14 -0.02 0.00 -2.10 0.00 0.00 70.33 68.94 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 0.96 0.28 0.10 3.38 0.00 -1.03 -4.91 105.19 103.97 3i3j n GLY 1109Ca 0.13 -0.48 0.15 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.19 0.88 -3.74 1.61 7.27 0.27 -4.60 117.38 116.89 3i3j n GLN 1110Ca -0.12 -0.20 -0.37 0.00 0.07 0.00 0.00 57.00 56.38 3i3j n GLN 1110Cb 0.52 -1.50 -0.12 0.00 2.41 0.00 0.00 30.24 31.55 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 -2.26 3.11 -0.02 3.69 2.02 -1.25 -4.97 117.35 117.66 3i3j s TYR 1111Ca 0.37 -0.47 0.12 0.00 -0.37 0.00 0.00 57.07 56.72 3i3j s TYR 1111Cb 0.21 -2.26 -0.14 0.00 -0.40 0.00 0.00 41.96 39.37 3i3j s TYR 1111CO 0.42 -0.38 1.09 1.96 -1.57 0.00 0.00 175.55 177.06 3i3j h GLN 1112N 8.26 0.00 -3.74 -0.62 1.08 -1.95 -3.48 115.11 114.66 3i3j h GLN 1112Ca -0.37 0.00 -0.15 0.00 -1.45 0.00 0.00 58.65 56.68 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 0.58 0.64 -0.58 -1.21 -0.95 0.00 0.00 178.83 177.31 3i3j s GLU 1113N -2.78 0.43 0.21 1.46 2.02 -1.26 -4.33 118.70 114.45 3i3j s GLU 1113Ca -0.00 -0.53 -0.10 0.00 0.02 0.00 0.00 54.97 54.35 3i3j s GLU 1113Cb 0.09 0.17 0.29 0.00 0.10 0.00 0.00 34.13 34.77 3i3j s GLU 1113CO 0.80 -0.09 1.70 -1.35 0.02 0.00 0.00 175.26 176.34 3i3j h PRO 1114N 4.34 0.22 -0.33 0.39 0.11 -1.99 -1.64 132.00 133.11 3i3j h PRO 1114Ca -0.32 -0.01 0.09 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 0.42 0.15 0.26 0.11 -0.21 0.00 0.00 178.00 178.73 3i3j h TRP 1115N 0.23 0.00 -0.65 0.65 5.08 -1.99 0.90 115.95 120.18 3i3j h TRP 1115Ca 0.31 0.00 -0.07 0.00 1.08 0.00 0.00 58.89 60.21 3i3j h TRP 1115Cb 0.47 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.60 3i3j h TRP 1115CO -0.27 0.00 0.14 1.96 -1.28 0.00 0.00 178.44 178.99 3i3j h GLN 1116N 0.00 1.04 0.07 0.12 4.20 -1.73 0.26 115.11 119.07 3i3j h GLN 1116Ca 0.15 -0.25 -0.00 0.00 0.06 0.00 0.00 58.65 58.61 3i3j h GLN 1116Cb 0.68 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.32 3i3j h GLN 1116CO -0.00 0.93 -0.04 -0.92 -0.67 0.00 0.00 178.83 178.13 3i3j h TYR 1117N 0.98 -0.09 -0.85 2.96 3.20 -0.92 -2.75 116.97 119.50 3i3j h TYR 1117Ca 0.20 -0.00 0.16 0.00 3.14 0.00 0.00 58.73 62.23 3i3j h TYR 1117Cb 0.37 0.03 -0.10 0.00 1.54 0.00 0.00 36.73 38.57 3i3j h TYR 1117CO 0.03 0.28 0.41 0.28 -1.64 0.00 0.00 178.16 177.52 3i3j h VAL 1118N -0.49 0.68 -0.80 1.81 2.07 -1.25 -0.76 116.25 117.51 3i3j h VAL 1118Ca -0.01 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.31 3i3j h VAL 1118Cb 0.42 0.06 -0.04 0.00 -1.52 0.00 0.00 31.29 30.21 3i3j h VAL 1118CO 0.02 0.10 0.46 0.44 0.02 0.00 0.00 177.57 178.61 3i3j h ASP 1119N 0.56 0.96 -0.41 0.57 5.19 -0.88 -0.40 116.42 122.02 3i3j h ASP 1119Ca 0.47 -0.06 -0.13 0.00 -0.62 0.00 0.00 57.03 56.69 3i3j h ASP 1119Cb 0.72 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.98 3i3j h ASP 1119CO -0.39 0.75 -0.27 0.44 -3.12 0.00 0.00 179.24 176.65 3i3j h ASP 1120N 1.10 0.95 -0.01 6.45 3.32 -0.89 -0.58 116.42 126.76 3i3j h ASP 1120Ca 0.28 -0.43 0.02 0.00 0.02 0.00 0.00 57.03 56.93 3i3j h ASP 1120Cb -0.02 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.24 3i3j h ASP 1120CO -0.05 1.17 -0.12 0.40 -1.72 0.00 0.00 179.24 178.92 3i3j h ILE 1121N 0.73 0.70 0.00 0.35 1.08 -0.66 -1.36 117.51 118.35 3i3j h ILE 1121Ca 0.08 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.49 3i3j h ILE 1121Cb 0.85 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 3i3j h ILE 1121CO 0.07 0.00 -0.28 -0.50 -0.69 0.00 0.00 178.15 176.76 3i3j h TRP 1122N -0.20 0.00 -0.55 1.37 4.06 -1.01 -1.84 115.95 117.78 3i3j h TRP 1122Ca 0.05 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 60.91 3i3j h TRP 1122Cb 0.26 0.00 -0.02 0.00 -1.00 0.00 0.00 29.16 28.40 3i3j h TRP 1122CO -0.18 0.28 0.02 1.25 -3.56 0.00 0.00 178.44 176.25 3i3j h LEU 1123N 0.00 0.93 0.09 -4.49 5.85 -0.71 0.13 115.31 117.10 3i3j h LEU 1123Ca -0.00 -0.30 -0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i3j h LEU 1123Cb 0.54 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3i3j h LEU 1123CO 0.04 1.00 -0.04 -0.03 -0.34 0.00 0.00 178.44 179.06 3i3j h MET 1124N 0.83 -0.11 0.01 1.25 4.05 -0.63 -0.85 114.93 119.48 3i3j h MET 1124Ca 0.16 0.01 0.02 0.00 -0.28 0.00 0.00 59.70 59.61 3i3j h MET 1124Cb 0.51 0.03 -0.03 0.00 -0.80 0.00 0.00 31.60 31.31 3i3j h MET 1124CO 0.02 0.01 -0.14 0.74 0.23 0.00 0.00 176.91 177.77 3i3j h PHE 1125N -0.21 -0.36 -0.48 1.39 0.04 -1.18 -2.65 116.94 113.49 3i3j h PHE 1125Ca -0.01 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.76 3i3j h PHE 1125Cb 0.17 0.16 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3i3j h PHE 1125CO -0.04 -0.21 0.28 -0.91 -0.60 0.00 0.00 178.31 176.82 3i3j h ASN 1126N -0.24 0.58 -0.68 2.17 2.35 -0.67 -0.76 115.58 118.32 3i3j h ASN 1126Ca 0.05 -0.03 0.04 0.00 -0.55 0.00 0.00 56.30 55.81 3i3j h ASN 1126Cb 0.30 -0.15 -0.05 0.00 0.05 0.00 0.00 38.32 38.47 3i3j h ASN 1126CO -0.13 0.46 0.41 0.78 -1.65 0.00 0.00 177.43 177.29 3i3j h ASN 1127N 0.66 0.64 -0.08 5.81 2.35 -0.89 -0.61 115.58 123.46 3i3j h ASN 1127Ca 0.17 0.01 -0.05 0.00 -0.55 0.00 0.00 56.30 55.89 3i3j h ASN 1127Cb -0.00 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.25 3i3j h ASN 1127CO -0.03 0.43 -0.15 0.00 -1.65 0.00 0.00 177.43 176.03 3i3j h ALA 1128N 1.32 0.12 -0.55 -0.83 0.00 -0.85 -0.26 119.26 118.21 3i3j h ALA 1128Ca 0.29 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i3j h ALA 1128Cb 0.10 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3i3j h ALA 1128CO -0.14 0.02 0.34 -1.49 0.00 0.00 0.00 179.25 177.98 3i3j h TRP 1129N -0.24 0.71 0.08 0.00 6.55 -1.19 -0.24 115.95 121.63 3i3j h TRP 1129Ca 0.00 0.01 -0.00 0.00 0.95 0.00 0.00 58.89 59.85 3i3j h TRP 1129Cb 0.73 -0.24 0.00 0.00 -0.86 0.00 0.00 29.16 28.79 3i3j h TRP 1129CO 0.11 0.47 -0.04 1.25 -1.05 0.00 0.00 178.44 179.18 3i3j h LEU 1130N 0.75 -0.10 -0.03 -4.49 5.85 -0.93 -3.36 115.31 113.01 3i3j h LEU 1130Ca 0.20 -0.35 -0.24 0.00 0.84 0.00 0.00 57.88 58.33 3i3j h LEU 1130Cb -0.04 0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3i3j h LEU 1130CO -0.04 0.31 -1.08 0.22 -0.34 0.00 0.00 178.44 177.52 3i3j h TYR 1131N -0.52 0.38 -2.95 1.25 3.20 -0.81 -3.45 116.97 114.06 3i3j h TYR 1131Ca -0.01 -0.25 -0.62 0.00 3.14 0.00 0.00 58.73 60.99 3i3j h TYR 1131Cb 0.44 -0.03 -0.06 0.00 1.54 0.00 0.00 36.73 38.62 3i3j h TYR 1131CO 0.06 1.14 -0.28 -0.80 -1.64 0.00 0.00 178.16 176.64 3i3j s ASN 1132N -7.02 6.67 0.44 -2.11 0.01 -0.12 -5.06 114.94 107.76 3i3j s ASN 1132Ca -0.03 0.80 -0.25 0.00 -0.71 0.00 0.00 52.86 52.67 3i3j s ASN 1132Cb 0.08 -2.20 -0.09 0.00 0.41 0.00 0.00 41.25 39.46 3i3j s ASN 1132CO 0.86 0.32 1.38 0.54 -1.51 0.00 0.00 177.10 178.69 3i3j n ARG 1133N 2.03 2.14 0.14 -0.60 1.74 -1.26 -4.78 116.66 116.07 3i3j n ARG 1133Ca -0.15 0.76 0.09 0.00 -0.77 0.00 0.00 57.85 57.78 3i3j n ARG 1133Cb 0.53 -2.55 0.49 0.00 -1.02 0.00 0.00 32.46 29.91 3i3j n ARG 1133CO 0.00 0.00 0.00 0.36 -1.52 0.00 0.00 177.63 176.47 3i3j n LYS 1134N -0.13 0.12 -0.15 5.56 -0.00 -1.26 -0.55 118.16 121.75 3i3j n LYS 1134Ca 0.06 0.61 0.12 0.00 -0.00 0.00 0.00 58.31 59.10 3i3j n LYS 1134Cb 0.41 -1.88 0.19 0.00 -0.00 0.00 0.00 35.03 33.75 3i3j n LYS 1134CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 3i3j n THR 1135N -2.13 0.41 -2.27 0.58 -2.24 -1.26 -4.75 114.28 102.62 3i3j n THR 1135Ca -0.01 -0.70 -0.31 0.00 -2.27 0.00 0.00 64.05 60.76 3i3j n THR 1135Cb 0.03 1.09 -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 -1.58 6.39 0.09 3.42 1.04 0.29 -4.98 113.70 118.36 3i3j s SER 1136Ca 0.37 1.35 -0.26 0.00 0.48 0.00 0.00 55.95 57.88 3i3j s SER 1136Cb 0.22 -2.43 -0.14 0.00 0.10 0.00 0.00 66.02 63.77 3i3j s SER 1136CO 0.31 -0.68 1.69 -0.09 0.98 0.00 0.00 173.24 175.45 3i3j h ARG 1137N 0.33 -0.33 -0.71 4.02 2.43 -1.94 -2.71 114.38 115.46 3i3j h ARG 1137Ca -0.46 0.02 0.09 0.00 -0.81 0.00 0.00 59.98 58.82 3i3j h ARG 1137Cb 1.19 0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 30.75 3i3j h ARG 1137CO 0.62 -0.22 0.37 0.28 -1.51 0.00 0.00 179.97 179.51 3i3j h VAL 1138N -0.34 0.88 -0.58 0.20 2.07 -1.94 0.42 116.25 116.96 3i3j h VAL 1138Ca -0.01 -0.22 0.06 0.00 0.82 0.00 0.00 66.70 67.34 3i3j h VAL 1138Cb 0.30 0.19 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3i3j h VAL 1138CO 0.00 0.12 0.30 0.22 0.02 0.00 0.00 177.57 178.23 3i3j h TYR 1139N 0.64 0.55 -0.31 1.57 3.20 -1.77 0.22 116.97 121.06 3i3j h TYR 1139Ca 0.34 0.02 -0.10 0.00 3.14 0.00 0.00 58.73 62.13 3i3j h TYR 1139Cb 0.32 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 3i3j h TYR 1139CO -0.10 0.25 -0.20 0.87 -1.64 0.00 0.00 178.16 177.35 3i3j h LYS 1140N 0.56 0.68 -0.59 1.82 6.56 -0.97 -1.70 116.57 122.94 3i3j h LYS 1140Ca 0.26 -0.32 0.11 0.00 -1.06 0.00 0.00 60.65 59.65 3i3j h LYS 1140Cb 0.18 -0.01 -0.09 0.00 -0.57 0.00 0.00 32.23 31.75 3i3j h LYS 1140CO -0.18 0.92 0.11 1.88 -2.06 0.00 0.00 179.45 180.12 3i3j h TYR 1141N 0.44 0.17 -0.40 -1.35 -1.99 -0.53 -0.94 116.97 112.38 3i3j h TYR 1141Ca 0.06 0.04 0.04 0.00 2.00 0.00 0.00 58.73 60.87 3i3j h TYR 1141Cb 0.74 0.01 -0.04 0.00 2.00 0.00 0.00 36.73 39.44 3i3j h TYR 1141CO 0.06 -0.04 0.17 0.00 -0.00 0.00 0.00 178.16 178.35 3i3j h SER 1143N 0.35 0.80 -0.25 0.00 0.02 -0.59 -0.26 113.55 113.62 3i3j h SER 1143Ca 0.18 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 3i3j h SER 1143Cb 0.13 -0.18 -0.01 0.00 0.14 0.00 0.00 62.40 62.48 3i3j h SER 1143CO -0.16 0.56 0.16 0.50 -1.14 0.00 0.00 176.83 176.75 3i3j h LYS 1144N 0.95 0.32 -0.37 3.45 1.63 -0.44 -1.74 116.57 120.37 3i3j h LYS 1144Ca 0.29 -0.02 0.05 0.00 -0.85 0.00 0.00 60.65 60.12 3i3j h LYS 1144Cb -0.03 -0.07 -0.05 0.00 -0.60 0.00 0.00 32.23 31.48 3i3j h LYS 1144CO -0.09 0.22 0.09 -0.07 -3.45 0.00 0.00 179.45 176.14 3i3j h LEU 1145N 0.33 0.04 -0.71 5.20 3.38 -0.62 -1.13 115.31 121.81 3i3j h LEU 1145Ca 0.09 0.06 0.15 0.00 0.09 0.00 0.00 57.88 58.27 3i3j h LEU 1145Cb -0.03 0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.66 3i3j h LEU 1145CO -0.02 0.06 -0.06 -1.28 0.09 0.00 0.00 178.44 177.23 3i3j h SER 1146N 0.22 -0.44 -0.66 -0.43 0.87 -0.71 0.16 113.55 112.56 3i3j h SER 1146Ca 0.18 0.19 -0.08 0.00 -1.23 0.00 0.00 61.79 60.84 3i3j h SER 1146Cb 0.19 0.36 -0.03 0.00 -0.44 0.00 0.00 62.40 62.49 3i3j h SER 1146CO -0.22 -0.19 0.09 -0.33 -0.53 0.00 0.00 176.83 175.65 3i3j h GLU 1147N 0.07 1.10 -0.13 2.24 5.08 -0.57 -1.93 114.58 120.44 3i3j h GLU 1147Ca 0.37 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 3i3j h GLU 1147Cb 0.61 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3i3j h GLU 1147CO -0.66 1.02 0.05 0.28 -1.00 0.00 0.00 179.01 178.71 3i3j h VAL 1148N 1.02 1.15 -0.34 3.13 2.07 -0.20 -2.97 116.25 120.11 3i3j h VAL 1148Ca 0.20 -0.45 0.06 0.00 0.82 0.00 0.00 66.70 67.33 3i3j h VAL 1148Cb 0.47 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.38 3i3j h VAL 1148CO 0.02 0.14 -0.04 0.15 0.02 0.00 0.00 177.57 177.86 3i3j h PHE 1149N 0.06 -0.09 -0.80 1.57 3.57 -0.57 -1.70 116.94 118.99 3i3j h PHE 1149Ca 0.04 0.03 0.09 0.00 3.53 0.00 0.00 57.97 61.66 3i3j h PHE 1149Cb 0.17 0.09 -0.07 0.00 2.79 0.00 0.00 35.95 38.93 3i3j h PHE 1149CO -0.02 -0.10 0.46 0.93 -2.23 0.00 0.00 178.31 177.35 3i3j h GLU 1150N 0.05 0.76 -0.41 1.11 5.08 -1.30 0.35 114.58 120.21 3i3j h GLU 1150Ca 0.17 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3i3j h GLU 1150Cb 0.24 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3i3j h GLU 1150CO -0.31 0.50 -0.07 1.96 -1.00 0.00 0.00 179.01 180.09 3i3j h GLN 1151N 0.78 0.71 -0.02 2.33 4.20 -1.32 -3.20 115.11 118.59 3i3j h GLN 1151Ca 0.38 -0.21 -0.04 0.00 0.06 0.00 0.00 58.65 58.84 3i3j h GLN 1151Cb 0.32 -0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.03 3i3j h GLN 1151CO -0.23 0.77 -0.14 0.93 -0.67 0.00 0.00 178.83 179.49 3i3j h GLU 1152N 0.65 0.13 -0.03 1.46 4.39 -0.09 -3.38 114.58 117.72 3i3j h GLU 1152Ca 0.12 -0.11 -0.17 0.00 0.34 0.00 0.00 59.36 59.54 3i3j h GLU 1152Cb 0.51 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.17 3i3j h GLU 1152CO 0.03 0.79 -0.74 0.97 -1.16 0.00 0.00 179.01 178.90 3i3j h ILE 1153N -0.49 1.46 0.13 3.13 6.09 -0.48 -3.35 117.51 124.00 3i3j h ILE 1153Ca -0.01 -2.34 0.02 0.00 -1.37 0.00 0.00 64.86 61.16 3i3j h ILE 1153Cb 0.82 2.26 -0.04 0.00 0.47 0.00 0.00 36.82 40.33 3i3j h ILE 1153CO 0.03 0.68 -0.30 0.44 -3.07 0.00 0.00 178.15 175.93 3i3j h ASP 1154N 0.11 -0.84 -0.06 2.19 5.19 -1.73 -0.81 116.42 120.47 3i3j h ASP 1154Ca -0.02 0.10 -0.05 0.00 -0.62 0.00 0.00 57.03 56.43 3i3j h ASP 1154Cb 1.30 0.32 -0.01 0.00 0.18 0.00 0.00 39.33 41.12 3i3j h ASP 1154CO 0.11 -0.39 -0.10 -0.65 -3.12 0.00 0.00 179.24 175.10 3i3j h PRO 1155N -0.52 0.35 -0.37 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 0.55 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 31.60 3i3j h PRO 1155CO -0.16 0.45 -0.07 0.28 -0.21 0.00 0.00 178.00 178.30 3i3j h VAL 1156N 0.33 1.27 -0.69 3.15 2.07 -1.57 -2.86 116.25 117.95 3i3j h VAL 1156Ca 0.07 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.43 3i3j h VAL 1156Cb 0.38 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.37 3i3j h VAL 1156CO 0.02 0.37 0.26 0.24 0.02 0.00 0.00 177.57 178.48 3i3j h MET 1157N 0.49 1.03 -0.74 1.57 2.86 -0.92 -2.56 114.93 116.67 3i3j h MET 1157Ca 0.10 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.56 3i3j h MET 1157Cb 0.56 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.02 3i3j h MET 1157CO 0.03 0.85 0.48 1.96 1.06 0.00 0.00 176.91 181.29 3i3j h GLN 1158N 1.01 0.98 0.00 1.72 4.20 -1.42 -1.46 115.11 120.14 3i3j h GLN 1158Ca 0.23 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.87 3i3j h GLN 1158Cb 0.22 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3i3j h GLN 1158CO -0.02 0.66 0.00 0.43 -0.67 0.00 0.00 178.83 179.23 3i3j n SER 1159N -4.56 0.51 -0.77 1.46 7.64 -0.98 -5.14 113.62 111.79 3i3j n SER 1159Ca 0.07 0.65 0.10 0.00 1.01 0.00 0.00 58.87 60.69 3i3j n SER 1159Cb 0.03 -0.75 0.08 0.00 -1.01 0.00 0.00 64.21 62.56 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21