#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 1.32 -0.24 3.15 1.01 -1.26 -5.11 121.20 120.08 3i3j s ILE 1048Ca 0.00 -0.67 -0.05 0.00 0.00 0.00 0.00 60.65 59.92 3i3j s ILE 1048Cb 0.00 -1.13 -0.01 0.00 0.01 0.00 0.00 42.46 41.33 3i3j s ILE 1048CO 0.00 0.38 0.01 -0.36 0.00 0.00 0.00 174.94 174.97 3i3j s PHE 1049N -0.06 3.03 0.11 3.97 0.08 -1.26 -5.08 117.98 118.77 3i3j s PHE 1049Ca -0.01 -0.77 -0.31 0.00 0.12 0.00 0.00 56.93 55.96 3i3j s PHE 1049Cb -0.10 -2.17 -0.10 0.00 -0.57 0.00 0.00 43.02 40.09 3i3j s PHE 1049CO 0.01 -0.49 1.71 0.15 -0.10 0.00 0.00 175.22 176.50 3i3j s LYS 1050N 1.53 4.17 0.41 0.44 3.01 -1.26 -4.89 119.74 123.16 3i3j s LYS 1050Ca 0.06 2.45 0.20 0.00 -1.01 0.00 0.00 55.97 57.67 3i3j s LYS 1050Cb -0.15 -3.48 1.15 0.00 -1.01 0.00 0.00 37.83 34.33 3i3j s LYS 1050CO -0.00 -0.75 1.78 -1.35 0.51 0.00 0.00 175.35 175.54 3i3j h PRO 1051N 8.05 0.34 0.02 -1.68 0.11 -1.96 0.99 132.00 137.87 3i3j h PRO 1051Ca -0.44 -0.02 -0.21 0.00 0.11 0.00 0.00 66.00 65.44 3i3j h PRO 1051Cb 1.21 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 3i3j h PRO 1051CO 0.94 0.23 -0.94 1.49 -0.21 0.00 0.00 178.00 179.50 3i3j h GLU 1052N 0.35 0.23 -0.72 1.05 4.57 -1.96 -1.61 114.58 116.49 3i3j h GLU 1052Ca 0.58 -0.27 -0.04 0.00 -1.18 0.00 0.00 59.36 58.45 3i3j h GLU 1052Cb 1.55 0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 30.20 3i3j h GLU 1052CO -0.26 1.02 0.28 1.49 -1.18 0.00 0.00 179.01 180.36 3i3j h GLU 1053N 0.12 1.07 0.32 1.92 4.81 -1.21 -1.13 114.58 120.47 3i3j h GLU 1053Ca -0.06 -0.19 -0.02 0.00 -0.13 0.00 0.00 59.36 58.97 3i3j h GLU 1053Cb 1.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 30.80 3i3j h GLU 1053CO 0.15 0.87 -0.15 1.25 -0.73 0.00 0.00 179.01 180.39 3i3j h LEU 1054N 1.04 -0.36 -0.73 1.64 5.85 -1.29 -2.64 115.31 118.82 3i3j h LEU 1054Ca 0.24 -0.18 0.16 0.00 0.84 0.00 0.00 57.88 58.94 3i3j h LEU 1054Cb 0.21 0.09 -0.11 0.00 0.37 0.00 0.00 40.66 41.22 3i3j h LEU 1054CO -0.02 0.05 0.19 -0.09 -0.34 0.00 0.00 178.44 178.23 3i3j h ARG 1055N -0.86 0.28 -0.48 1.25 2.43 -1.23 0.86 114.38 116.63 3i3j h ARG 1055Ca -0.04 -0.02 -0.08 0.00 -0.81 0.00 0.00 59.98 59.03 3i3j h ARG 1055Cb 0.52 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3i3j h ARG 1055CO 0.07 0.18 -0.02 0.37 -1.51 0.00 0.00 179.97 179.07 3i3j h GLN 1056N 0.28 0.81 0.13 0.20 4.15 -1.23 -1.03 115.11 118.42 3i3j h GLN 1056Ca 0.41 -0.23 -0.30 0.00 0.77 0.00 0.00 58.65 59.30 3i3j h GLN 1056Cb 0.69 -0.09 0.03 0.00 0.21 0.00 0.00 27.48 28.32 3i3j h GLN 1056CO -0.49 0.83 -1.26 0.00 -1.93 0.00 0.00 178.83 175.97 3i3j h ALA 1057N 1.23 0.00 0.00 3.38 0.00 -0.87 -3.38 119.26 119.62 3i3j h ALA 1057Ca 0.14 -0.79 -0.28 0.00 0.00 0.00 0.00 54.91 53.99 3i3j h ALA 1057Cb 0.48 0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.33 3i3j h ALA 1057CO 0.02 0.72 -1.66 -0.07 0.00 0.00 0.00 179.25 178.26 3i3j h LEU 1058N 0.25 0.00 -0.65 0.00 3.38 -0.85 -3.39 115.31 114.04 3i3j h LEU 1058Ca -0.19 0.00 0.10 0.00 0.09 0.00 0.00 57.88 57.88 3i3j h LEU 1058Cb 1.93 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 42.61 3i3j h LEU 1058CO 0.24 0.96 0.28 -0.03 0.09 0.00 0.00 178.44 179.98 3i3j h MET 1059N 0.00 0.47 -0.80 1.13 4.05 -1.36 -1.40 114.93 117.02 3i3j h MET 1059Ca -0.27 -0.03 0.10 0.00 -0.28 0.00 0.00 59.70 59.22 3i3j h MET 1059Cb 1.97 -0.11 -0.06 0.00 -0.80 0.00 0.00 31.60 32.61 3i3j h MET 1059CO 0.08 0.31 0.52 -1.35 0.23 0.00 0.00 176.91 176.70 3i3j h PRO 1060N 0.48 0.71 -0.25 0.39 0.11 -1.78 0.14 132.00 131.80 3i3j h PRO 1060Ca 0.33 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.27 3i3j h PRO 1060Cb 0.39 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.33 3i3j h PRO 1060CO -0.30 0.47 -0.37 1.79 -0.21 0.00 0.00 178.00 179.38 3i3j h THR 1061N 0.73 1.29 -0.35 -1.15 1.35 -1.51 -1.33 112.91 111.95 3i3j h THR 1061Ca 0.37 -1.51 -0.12 0.00 -0.55 0.00 0.00 66.41 64.60 3i3j h THR 1061Cb 0.46 1.50 -0.01 0.00 -1.73 0.00 0.00 68.15 68.36 3i3j h THR 1061CO -0.14 0.48 -0.26 0.25 -0.25 0.00 0.00 175.52 175.60 3i3j h LEU 1062N 0.48 0.71 -0.86 3.87 5.85 -0.84 -3.05 115.31 121.47 3i3j h LEU 1062Ca 0.05 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.41 3i3j h LEU 1062Cb 0.86 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 3i3j h LEU 1062CO 0.07 0.94 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.64 3i3j h GLU 1063N 0.61 0.69 -0.90 1.25 5.08 -0.42 -1.87 114.58 119.01 3i3j h GLU 1063Ca 0.08 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.20 3i3j h GLU 1063Cb 0.75 -0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.90 3i3j h GLU 1063CO 0.06 0.80 0.53 0.00 -1.00 0.00 0.00 179.01 179.41 3i3j h ALA 1064N 1.22 1.15 -0.36 3.43 0.00 -1.20 0.27 119.26 123.76 3i3j h ALA 1064Ca 0.10 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 3i3j h ALA 1064Cb 0.60 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i3j h ALA 1064CO 0.04 0.61 -0.09 -0.07 0.00 0.00 0.00 179.25 179.74 3i3j h LEU 1065N 1.24 0.70 -1.03 0.00 3.38 -1.41 -3.05 115.31 115.15 3i3j h LEU 1065Ca 0.32 -0.37 -0.05 0.00 0.09 0.00 0.00 57.88 57.87 3i3j h LEU 1065Cb -0.04 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3i3j h LEU 1065CO -0.06 0.91 0.10 0.22 0.09 0.00 0.00 178.44 179.70 3i3j h TYR 1066N 0.49 0.83 -0.00 1.13 3.20 -0.77 -2.14 116.97 119.70 3i3j h TYR 1066Ca 0.09 -0.08 0.00 0.00 3.14 0.00 0.00 58.73 61.88 3i3j h TYR 1066Cb 0.60 -0.24 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3i3j h TYR 1066CO 0.05 0.71 0.00 0.54 -1.64 0.00 0.00 178.16 177.82 3i3j n ARG 1067N -4.27 1.18 -2.31 1.82 1.74 0.03 -4.67 116.66 110.18 3i3j n ARG 1067Ca 0.04 -0.26 -0.42 0.00 -0.77 0.00 0.00 57.85 56.44 3i3j n ARG 1067Cb 0.24 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 30.16 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 -2.00 3.30 -0.14 5.56 -1.52 -0.81 -4.98 119.66 119.07 3i3j s GLN 1068Ca 0.45 0.65 -0.01 0.00 -1.95 0.00 0.00 55.36 54.51 3i3j s GLN 1068Cb 0.22 -4.14 -0.02 0.00 -0.22 0.00 0.00 33.01 28.85 3i3j s GLN 1068CO 0.36 -1.93 -0.11 0.34 -0.25 0.00 0.00 175.29 173.70 3i3j s ASP 1069N 4.82 4.22 0.00 5.90 2.15 -1.26 -0.40 116.67 132.10 3i3j s ASP 1069Ca 0.58 -0.27 0.27 0.00 0.43 0.00 0.00 52.55 53.55 3i3j s ASP 1069Cb -0.13 -1.65 0.81 0.00 -0.30 0.00 0.00 42.92 41.65 3i3j s ASP 1069CO 0.27 0.17 1.60 -0.81 -0.17 0.00 0.00 175.17 176.23 3i3j n PRO 1070N 3.51 1.23 -0.35 4.34 -0.04 -1.26 -4.97 135.00 137.46 3i3j n PRO 1070Ca -0.18 -0.75 0.12 0.00 -0.04 0.00 0.00 63.50 62.64 3i3j n PRO 1070Cb 0.53 -1.48 0.30 0.00 -0.04 0.00 0.00 33.50 32.80 3i3j n PRO 1070CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3i3j h GLU 1071N 1.84 0.77 0.00 0.54 3.07 -1.87 -1.30 114.58 117.63 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 0.54 -0.17 0.00 0.00 -0.84 0.00 0.00 28.75 28.27 3i3j h GLU 1071CO 0.00 0.51 0.00 -1.13 -1.40 0.00 0.00 179.01 176.99 3i3j n SER 1072N -4.75 0.52 -0.26 1.42 3.41 0.46 -4.13 113.62 110.30 3i3j n SER 1072Ca 0.22 0.58 0.05 0.00 -0.26 0.00 0.00 58.87 59.46 3i3j n SER 1072Cb 0.53 -0.70 0.15 0.00 -0.26 0.00 0.00 64.21 63.93 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 -0.37 0.00 1.04 3.38 -1.43 0.55 115.31 118.48 3i3j h LEU 1073Ca 0.00 0.20 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i3j h LEU 1073Cb 0.54 0.35 0.00 0.00 0.09 0.00 0.00 40.66 41.64 3i3j h LEU 1073CO 0.00 -0.18 0.00 -2.65 0.09 0.00 0.00 178.44 175.70 3i3j n PRO 1074N -5.36 0.07 -0.27 1.13 -0.02 -1.26 -3.15 135.00 126.14 3i3j n PRO 1074Ca 0.13 0.16 0.07 0.00 -2.02 0.00 0.00 63.50 61.84 3i3j n PRO 1074Cb 0.47 -1.50 0.19 0.00 -0.02 0.00 0.00 33.50 32.63 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 -1.45 0.62 0.36 6.00 3.72 0.18 -4.64 117.46 122.26 3i3j n PHE 1075Ca 0.06 -0.65 0.12 0.00 -0.05 0.00 0.00 57.45 56.92 3i3j n PHE 1075Cb 0.20 -0.14 0.08 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.83 0.00 -4.42 -1.08 3.08 -1.49 0.47 114.38 112.79 3i3j h ARG 1076Ca 0.00 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3i3j h ARG 1076Cb 1.00 0.00 -0.18 0.00 0.08 0.00 0.00 29.97 30.87 3i3j h ARG 1076CO 0.09 0.00 -0.70 1.14 -1.07 0.00 0.00 179.97 179.42 3i3j s GLN 1077N -3.26 0.60 0.63 0.04 0.00 -1.26 -3.62 119.66 112.79 3i3j s GLN 1077Ca 0.03 -1.01 -0.18 0.00 -0.00 0.00 0.00 55.36 54.20 3i3j s GLN 1077Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 33.01 33.02 3i3j s GLN 1077CO 0.76 -0.02 1.24 -2.30 0.00 0.00 0.00 175.29 174.97 3i3j n PRO 1078N 0.74 1.11 -2.37 9.60 -0.02 -1.26 -4.85 135.00 137.95 3i3j n PRO 1078Ca -0.18 0.43 -0.42 0.00 -2.02 0.00 0.00 63.50 61.32 3i3j n PRO 1078Cb 0.58 -2.47 -0.03 0.00 -0.02 0.00 0.00 33.50 31.56 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 -1.40 3.84 -0.53 -1.45 1.01 -1.26 -5.00 120.40 115.61 3i3j s VAL 1079Ca 0.81 1.36 -0.01 0.00 0.00 0.00 0.00 61.98 64.13 3i3j s VAL 1079Cb -0.39 -3.87 0.14 0.00 0.00 0.00 0.00 36.38 32.26 3i3j s VAL 1079CO 0.42 0.12 0.32 -0.62 0.00 0.00 0.00 175.10 175.34 3i3j s ASP 1080N 0.92 5.04 0.45 3.32 -1.08 -1.26 -4.97 116.67 119.09 3i3j s ASP 1080Ca 0.59 -2.62 0.11 0.00 -0.52 0.00 0.00 52.55 50.11 3i3j s ASP 1080Cb -0.31 -1.79 1.01 0.00 -1.46 0.00 0.00 42.92 40.37 3i3j s ASP 1080CO 0.30 -0.39 2.08 -0.65 0.52 0.00 0.00 175.17 177.03 3i3j h PRO 1081N 7.24 0.35 0.83 4.34 0.11 -1.95 -0.65 132.00 142.26 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 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.00 3i3j h PRO 1081CO 0.69 0.23 -0.49 1.96 -0.21 0.00 0.00 178.00 180.19 3i3j h GLN 1082N 0.36 -1.18 -0.23 1.05 4.20 -1.93 -1.02 115.11 116.37 3i3j h GLN 1082Ca 0.12 0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.90 3i3j h GLN 1082Cb 0.05 0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.09 3i3j h GLN 1082CO -0.03 -0.78 0.08 1.25 -0.67 0.00 0.00 178.83 178.68 3i3j h LEU 1083N -1.22 0.33 -0.23 1.46 5.85 -1.90 -2.87 115.31 116.73 3i3j h LEU 1083Ca -0.11 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.42 3i3j h LEU 1083Cb 0.97 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3i3j h LEU 1083CO 0.13 0.43 0.00 0.18 -0.34 0.00 0.00 178.44 178.84 3i3j n LEU 1084N -4.78 0.35 -2.52 2.25 4.77 -0.29 -4.90 117.00 111.89 3i3j n LEU 1084Ca -0.03 0.57 -0.14 0.00 -0.03 0.00 0.00 56.01 56.37 3i3j n LEU 1084Cb 0.15 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 40.80 3i3j n LEU 1084CO 0.36 -0.29 0.13 0.61 -1.33 0.00 0.00 177.39 176.86 3i3j n GLY 1085N 0.49 -0.03 2.33 -0.72 0.00 -0.61 -4.99 105.19 101.66 3i3j n GLY 1085Ca 0.04 -0.09 -0.26 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.75 0.85 -0.11 -0.61 -5.35 -0.49 -4.98 119.36 104.92 3i3j n ILE 1086Ca -0.06 -4.61 0.21 0.00 -0.27 0.00 0.00 62.75 58.03 3i3j n ILE 1086Cb 0.56 -2.02 0.64 0.00 -1.74 0.00 0.00 39.64 37.08 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 4.19 0.13 -0.00 6.28 0.11 -1.94 -1.57 132.00 139.20 3i3j h PRO 1087Ca 0.14 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.24 3i3j h PRO 1087Cb 0.77 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.85 3i3j h PRO 1087CO 0.65 0.09 -0.00 -0.40 -0.21 0.00 0.00 178.00 178.12 3i3j n ASP 1088N -4.39 0.05 -0.14 -2.05 5.75 -1.26 -4.13 116.55 110.39 3i3j n ASP 1088Ca 0.14 -0.84 -0.04 0.00 -0.01 0.00 0.00 54.79 54.04 3i3j n ASP 1088Cb 0.69 -0.06 0.05 0.00 -1.03 0.00 0.00 41.12 40.77 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 0.08 0.08 0.00 2.11 3.20 -1.68 -1.50 116.97 119.26 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 0.08 0.03 0.00 0.00 1.54 0.00 0.00 36.73 38.38 3i3j h TYR 1089CO 0.00 -0.03 0.00 1.19 -1.64 0.00 0.00 178.16 177.68 3i3j n PHE 1090N -5.14 0.86 0.05 -3.82 3.72 -1.26 0.13 117.46 112.00 3i3j n PHE 1090Ca 0.04 0.28 -0.04 0.00 -0.05 0.00 0.00 57.45 57.67 3i3j n PHE 1090Cb 0.22 -0.95 0.17 0.00 -0.94 0.00 0.00 39.48 37.98 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 0.40 0.04 4.37 3.32 -1.54 -3.35 116.42 119.66 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 0.61 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 40.01 3i3j h ASP 1091CO 0.00 0.77 -1.83 -0.38 -1.72 0.00 0.00 179.24 176.09 3i3j n ILE 1092N -4.02 1.60 -3.38 0.35 2.08 -0.85 -4.82 119.36 110.33 3i3j n ILE 1092Ca -0.02 -0.33 -0.45 0.00 0.56 0.00 0.00 62.75 62.52 3i3j n ILE 1092Cb 0.50 -1.86 -0.07 0.00 -0.75 0.00 0.00 39.64 37.47 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 -2.46 5.08 -0.07 1.39 1.01 0.12 -4.94 120.40 120.53 3i3j s VAL 1093Ca -0.29 -1.34 0.13 0.00 0.00 0.00 0.00 61.98 60.47 3i3j s VAL 1093Cb 0.08 -4.16 -0.06 0.00 0.00 0.00 0.00 36.38 32.24 3i3j s VAL 1093CO 0.63 -0.72 1.27 0.11 0.00 0.00 0.00 175.10 176.38 3i3j h LYS 1094N 8.77 0.00 -2.75 2.72 1.79 -1.86 -3.40 116.57 121.85 3i3j h LYS 1094Ca -0.28 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.58 3i3j h LYS 1094Cb 1.10 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.35 3i3j h LYS 1094CO 0.94 0.61 -0.75 0.43 -1.08 0.00 0.00 179.45 179.61 3i3j n SER 1095N -3.20 1.58 -4.63 0.86 7.64 -1.26 -5.11 113.62 109.50 3i3j n SER 1095Ca -0.01 -2.87 -0.44 0.00 1.01 0.00 0.00 58.87 56.56 3i3j n SER 1095Cb 0.82 -0.67 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 3i3j n SER 1095CO 0.00 0.00 0.00 -2.65 -3.01 0.00 0.00 175.04 169.38 3i3j n PRO 1096N 2.27 1.62 -3.84 1.43 -0.02 -1.26 -4.91 135.00 130.29 3i3j n PRO 1096Ca 0.24 0.57 -0.10 0.00 -2.02 0.00 0.00 63.50 62.19 3i3j n PRO 1096Cb 0.41 -2.01 -0.08 0.00 -0.02 0.00 0.00 33.50 31.80 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 -1.66 0.76 0.21 -0.52 1.75 -1.26 -5.04 119.30 113.54 3i3j s MET 1097Ca 0.58 -0.73 -0.23 0.00 -1.25 0.00 0.00 55.69 54.05 3i3j s MET 1097Cb -0.66 0.32 0.05 0.00 2.84 0.00 0.00 34.83 37.38 3i3j s MET 1097CO 0.61 -0.23 0.89 0.16 -0.65 0.00 0.00 175.02 175.79 3i3j s ASP 1098N -2.37 -0.18 0.26 1.11 -4.77 -1.26 -4.73 116.67 104.74 3i3j s ASP 1098Ca -0.01 -0.53 -0.04 0.00 -3.30 0.00 0.00 52.55 48.67 3i3j s ASP 1098Cb 0.01 0.58 0.33 0.00 -1.09 0.00 0.00 42.92 42.75 3i3j s ASP 1098CO -0.06 -1.09 1.86 -0.07 0.70 0.00 0.00 175.17 176.50 3i3j h LEU 1099N 2.00 0.95 -0.20 2.11 3.38 -1.16 -2.24 115.31 120.16 3i3j h LEU 1099Ca -0.23 -0.11 -0.08 0.00 0.09 0.00 0.00 57.88 57.55 3i3j h LEU 1099Cb 1.24 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 41.74 3i3j h LEU 1099CO 0.26 0.82 -0.17 0.77 0.09 0.00 0.00 178.44 180.21 3i3j h SER 1100N 1.04 0.50 -0.90 -0.43 4.64 -1.74 -0.99 113.55 115.68 3i3j h SER 1100Ca 0.25 -0.46 0.09 0.00 -0.47 0.00 0.00 61.79 61.20 3i3j h SER 1100Cb 0.13 -0.14 -0.07 0.00 -0.31 0.00 0.00 62.40 62.00 3i3j h SER 1100CO -0.03 0.86 0.54 0.74 -0.87 0.00 0.00 176.83 178.07 3i3j h THR 1101N 0.15 0.95 -0.27 2.95 2.02 -1.85 -0.45 112.91 116.41 3i3j h THR 1101Ca 0.04 -0.31 -0.12 0.00 0.77 0.00 0.00 66.41 66.78 3i3j h THR 1101Cb 0.70 -0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 3i3j h THR 1101CO 0.04 0.17 -0.34 0.40 0.37 0.00 0.00 175.52 176.16 3i3j h ILE 1102N 0.92 1.29 -0.06 3.11 2.04 -1.15 -1.50 117.51 122.15 3i3j h ILE 1102Ca 0.42 -1.47 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 3i3j h ILE 1102Cb 0.34 1.44 -0.00 0.00 -0.74 0.00 0.00 36.82 37.86 3i3j h ILE 1102CO -0.23 0.47 0.02 0.50 0.00 0.00 0.00 178.15 178.90 3i3j h LYS 1103N 0.50 0.10 -0.53 2.37 1.63 -0.34 -1.49 116.57 118.83 3i3j h LYS 1103Ca 0.06 -0.03 0.11 0.00 -0.85 0.00 0.00 60.65 59.94 3i3j h LYS 1103Cb 0.83 -0.01 -0.10 0.00 -0.60 0.00 0.00 32.23 32.34 3i3j h LYS 1103CO 0.07 0.30 -0.15 -0.09 -3.45 0.00 0.00 179.45 176.13 3i3j h ARG 1104N -0.11 -0.02 -0.57 1.90 9.65 -0.98 -0.34 114.38 123.91 3i3j h ARG 1104Ca 0.02 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 3i3j h ARG 1104Cb 0.25 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 28.80 3i3j h ARG 1104CO 0.00 -0.01 0.25 0.87 2.80 0.00 0.00 179.97 183.88 3i3j h LYS 1105N -0.02 0.81 -0.41 0.20 1.57 -1.03 -0.16 116.57 117.53 3i3j h LYS 1105Ca 0.25 -0.11 -0.14 0.00 -1.87 0.00 0.00 60.65 58.78 3i3j h LYS 1105Cb 0.40 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 3i3j h LYS 1105CO -0.55 0.65 -0.29 1.25 -0.57 0.00 0.00 179.45 179.94 3i3j h LEU 1106N 0.81 0.92 -0.20 2.94 6.46 -0.66 0.35 115.31 125.93 3i3j h LEU 1106Ca 0.20 -0.37 -0.22 0.00 -0.12 0.00 0.00 57.88 57.37 3i3j h LEU 1106Cb 0.13 -0.25 0.01 0.00 -0.73 0.00 0.00 40.66 39.81 3i3j h LEU 1106CO -0.02 1.13 -0.75 0.44 -0.62 0.00 0.00 178.44 178.62 3i3j h ASP 1107N 0.75 0.92 -0.18 1.25 3.32 -0.41 -3.19 116.42 118.88 3i3j h ASP 1107Ca 0.09 -0.59 0.00 0.00 0.02 0.00 0.00 57.03 56.55 3i3j h ASP 1107Cb 0.85 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.13 3i3j h ASP 1107CO 0.07 1.39 0.00 0.35 -1.72 0.00 0.00 179.24 179.33 3i3j n THR 1108N -3.94 0.25 -2.02 0.35 -2.24 -0.13 -4.90 114.28 101.65 3i3j n THR 1108Ca -0.07 -0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 61.33 3i3j n THR 1108Cb 0.73 0.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 0.80 0.24 0.15 3.38 0.00 -1.01 -4.90 105.19 103.85 3i3j n GLY 1109Ca 0.06 -0.34 0.15 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.38 1.01 -3.79 1.61 7.27 0.08 -4.61 117.38 116.57 3i3j n GLN 1110Ca -0.15 -0.30 -0.36 0.00 0.07 0.00 0.00 57.00 56.25 3i3j n GLN 1110Cb 0.57 -1.49 -0.12 0.00 2.41 0.00 0.00 30.24 31.61 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 -2.20 3.10 -0.04 3.69 2.02 -1.26 -4.97 117.35 117.69 3i3j s TYR 1111Ca 0.38 -0.37 0.13 0.00 -0.37 0.00 0.00 57.07 56.84 3i3j s TYR 1111Cb 0.21 -2.22 -0.15 0.00 -0.40 0.00 0.00 41.96 39.40 3i3j s TYR 1111CO 0.40 -0.31 1.01 1.96 -1.57 0.00 0.00 175.55 177.05 3i3j h GLN 1112N 8.09 0.00 -3.85 -0.62 1.08 -1.95 -3.48 115.11 114.38 3i3j h GLN 1112Ca -0.38 0.00 -0.16 0.00 -1.45 0.00 0.00 58.65 56.66 3i3j h GLN 1112Cb 1.18 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.40 3i3j h GLN 1112CO 0.59 0.58 -0.64 -1.21 -0.95 0.00 0.00 178.83 177.20 3i3j s GLU 1113N -2.78 0.37 0.20 1.46 2.02 -1.26 -4.35 118.70 114.36 3i3j s GLU 1113Ca -0.01 -0.57 -0.14 0.00 0.02 0.00 0.00 54.97 54.27 3i3j s GLU 1113Cb 0.09 0.14 0.22 0.00 0.10 0.00 0.00 34.13 34.67 3i3j s GLU 1113CO 0.81 -0.07 1.64 -1.35 0.02 0.00 0.00 175.26 176.30 3i3j h PRO 1114N 4.49 0.01 -0.21 0.39 0.11 -2.00 -1.64 132.00 133.16 3i3j h PRO 1114Ca -0.32 -0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.85 3i3j h PRO 1114Cb 1.20 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 3i3j h PRO 1114CO 0.42 0.01 0.19 0.11 -0.21 0.00 0.00 178.00 178.51 3i3j h TRP 1115N 0.01 0.00 -0.72 0.65 5.08 -1.99 0.32 115.95 119.30 3i3j h TRP 1115Ca 0.28 0.00 -0.05 0.00 1.08 0.00 0.00 58.89 60.20 3i3j h TRP 1115Cb 0.44 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.57 3i3j h TRP 1115CO -0.47 0.00 0.26 1.96 -1.28 0.00 0.00 178.44 178.91 3i3j h GLN 1116N 0.00 1.10 -0.02 0.12 4.20 -1.73 0.69 115.11 119.47 3i3j h GLN 1116Ca 0.10 -0.22 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 3i3j h GLN 1116Cb 0.48 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 3i3j h GLN 1116CO -0.00 0.93 -0.01 -0.92 -0.67 0.00 0.00 178.83 178.16 3i3j h TYR 1117N 1.05 0.05 -0.74 2.96 3.20 -0.46 -2.54 116.97 120.50 3i3j h TYR 1117Ca 0.24 -0.01 0.11 0.00 3.14 0.00 0.00 58.73 62.21 3i3j h TYR 1117Cb 0.26 -0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.44 3i3j h TYR 1117CO 0.02 0.41 0.35 0.28 -1.64 0.00 0.00 178.16 177.57 3i3j h VAL 1118N -0.31 0.77 -0.85 1.81 2.07 -1.25 -0.70 116.25 117.79 3i3j h VAL 1118Ca 0.01 -0.19 0.08 0.00 0.82 0.00 0.00 66.70 67.41 3i3j h VAL 1118Cb 0.39 0.17 -0.07 0.00 -1.52 0.00 0.00 31.29 30.26 3i3j h VAL 1118CO 0.00 0.10 0.51 0.44 0.02 0.00 0.00 177.57 178.64 3i3j h ASP 1119N 0.55 0.77 -0.42 0.57 5.19 -0.77 -0.56 116.42 121.76 3i3j h ASP 1119Ca 0.38 0.03 -0.11 0.00 -0.62 0.00 0.00 57.03 56.71 3i3j h ASP 1119Cb 0.48 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 39.85 3i3j h ASP 1119CO -0.32 0.47 -0.15 0.44 -3.12 0.00 0.00 179.24 176.56 3i3j h ASP 1120N 0.89 0.91 0.16 6.45 3.32 -0.73 -0.11 116.42 127.31 3i3j h ASP 1120Ca 0.39 -0.31 -0.00 0.00 0.02 0.00 0.00 57.03 57.13 3i3j h ASP 1120Cb 0.26 -0.25 -0.00 0.00 0.22 0.00 0.00 39.33 39.56 3i3j h ASP 1120CO -0.21 1.05 -0.10 0.40 -1.72 0.00 0.00 179.24 178.67 3i3j h ILE 1121N 0.80 0.79 -0.23 0.35 1.08 -0.71 -1.45 117.51 118.14 3i3j h ILE 1121Ca 0.12 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.56 3i3j h ILE 1121Cb 0.68 0.79 -0.01 0.00 -3.07 0.00 0.00 36.82 35.21 3i3j h ILE 1121CO 0.05 0.00 0.00 -0.50 -0.69 0.00 0.00 178.15 177.01 3i3j h TRP 1122N -0.25 0.34 -0.58 1.37 4.06 -1.00 -1.78 115.95 118.11 3i3j h TRP 1122Ca -0.01 -0.02 -0.07 0.00 2.06 0.00 0.00 58.89 60.84 3i3j h TRP 1122Cb 0.21 -0.11 -0.02 0.00 -1.00 0.00 0.00 29.16 28.24 3i3j h TRP 1122CO -0.09 0.35 0.08 1.25 -3.56 0.00 0.00 178.44 176.48 3i3j h LEU 1123N 0.34 0.93 -0.06 -4.49 5.85 -0.72 0.27 115.31 117.42 3i3j h LEU 1123Ca 0.08 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.53 3i3j h LEU 1123Cb 0.22 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 3i3j h LEU 1123CO 0.00 0.96 0.03 -0.03 -0.34 0.00 0.00 178.44 179.06 3i3j h MET 1124N 0.86 0.08 0.16 1.25 4.05 -0.70 -0.83 114.93 119.80 3i3j h MET 1124Ca 0.17 -0.01 0.01 0.00 -0.28 0.00 0.00 59.70 59.59 3i3j h MET 1124Cb 0.43 -0.01 -0.02 0.00 -0.80 0.00 0.00 31.60 31.20 3i3j h MET 1124CO 0.01 0.16 -0.17 0.74 0.23 0.00 0.00 176.91 177.88 3i3j h PHE 1125N -0.02 -0.45 -0.49 1.39 0.04 -1.09 -2.70 116.94 113.62 3i3j h PHE 1125Ca 0.02 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.80 3i3j h PHE 1125Cb 0.11 0.18 -0.02 0.00 2.20 0.00 0.00 35.95 38.41 3i3j h PHE 1125CO -0.04 -0.26 0.32 -0.91 -0.60 0.00 0.00 178.31 176.82 3i3j h ASN 1126N -0.37 0.56 -0.70 2.17 2.35 -0.38 -0.75 115.58 118.46 3i3j h ASN 1126Ca 0.01 -0.02 0.02 0.00 -0.55 0.00 0.00 56.30 55.76 3i3j h ASN 1126Cb 0.35 -0.14 -0.04 0.00 0.05 0.00 0.00 38.32 38.55 3i3j h ASN 1126CO -0.05 0.42 0.45 0.78 -1.65 0.00 0.00 177.43 177.37 3i3j h ASN 1127N 0.66 0.77 -0.11 5.81 2.35 -0.98 0.02 115.58 124.11 3i3j h ASN 1127Ca 0.18 -0.01 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3i3j h ASN 1127Cb -0.06 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.12 3i3j h ASN 1127CO -0.04 0.54 -0.10 0.00 -1.65 0.00 0.00 177.43 176.19 3i3j h ALA 1128N 1.27 0.16 -0.41 -0.83 0.00 -0.87 -0.47 119.26 118.12 3i3j h ALA 1128Ca 0.27 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 3i3j h ALA 1128Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i3j h ALA 1128CO -0.08 -0.01 0.20 -1.49 0.00 0.00 0.00 179.25 177.87 3i3j h TRP 1129N -0.14 0.55 -0.05 0.00 6.55 -1.14 -0.85 115.95 120.87 3i3j h TRP 1129Ca 0.02 -0.01 -0.04 0.00 0.95 0.00 0.00 58.89 59.82 3i3j h TRP 1129Cb 0.60 -0.18 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 3i3j h TRP 1129CO 0.08 0.41 -0.11 1.25 -1.05 0.00 0.00 178.44 179.02 3i3j h LEU 1130N 0.57 0.18 -0.05 -4.49 5.85 -0.84 -3.35 115.31 113.18 3i3j h LEU 1130Ca 0.15 -0.59 -0.23 0.00 0.84 0.00 0.00 57.88 58.05 3i3j h LEU 1130Cb 0.05 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3i3j h LEU 1130CO -0.02 0.73 -1.05 0.22 -0.34 0.00 0.00 178.44 177.98 3i3j h TYR 1131N -0.37 0.30 -2.83 1.25 3.20 -0.93 -3.46 116.97 114.13 3i3j h TYR 1131Ca -0.00 -0.20 -0.64 0.00 3.14 0.00 0.00 58.73 61.03 3i3j h TYR 1131Cb 0.71 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 38.90 3i3j h TYR 1131CO 0.12 1.10 -0.38 -0.80 -1.64 0.00 0.00 178.16 176.56 3i3j s ASN 1132N -6.96 6.52 0.41 -2.11 0.01 -0.34 -5.07 114.94 107.41 3i3j s ASN 1132Ca -0.02 0.61 -0.27 0.00 -0.71 0.00 0.00 52.86 52.47 3i3j s ASN 1132Cb 0.09 -2.12 -0.10 0.00 0.41 0.00 0.00 41.25 39.54 3i3j s ASN 1132CO 0.85 0.33 1.46 -0.13 -1.51 0.00 0.00 177.10 178.09 3i3j s ARG 1133N -1.33 3.90 0.29 -0.60 1.81 -1.26 -4.79 118.95 116.97 3i3j s ARG 1133Ca 0.22 2.50 0.22 0.00 -1.72 0.00 0.00 55.73 56.94 3i3j s ARG 1133Cb -0.13 -2.81 1.09 0.00 -0.45 0.00 0.00 34.95 32.64 3i3j s ARG 1133CO 0.11 -0.68 1.66 0.36 -0.68 0.00 0.00 175.30 176.07 3i3j n LYS 1134N 0.13 0.15 -0.27 3.54 0.00 -1.26 -0.10 118.16 120.36 3i3j n LYS 1134Ca 0.03 0.57 0.12 0.00 -0.00 0.00 0.00 58.31 59.03 3i3j n LYS 1134Cb 0.40 -1.92 0.26 0.00 -0.00 0.00 0.00 35.03 33.78 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 -2.23 0.70 -2.75 0.58 -2.24 -1.26 -4.72 114.28 102.35 3i3j n THR 1135Ca -0.00 -0.84 -0.29 0.00 -2.27 0.00 0.00 64.05 60.64 3i3j n THR 1135Cb 0.09 0.76 -0.02 0.00 -2.10 0.00 0.00 70.33 69.06 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 -1.28 6.42 0.12 3.42 1.04 0.86 -4.99 113.70 119.29 3i3j s SER 1136Ca 0.43 1.07 -0.20 0.00 0.48 0.00 0.00 55.95 57.73 3i3j s SER 1136Cb 0.24 -2.30 -0.07 0.00 0.10 0.00 0.00 66.02 63.98 3i3j s SER 1136CO 0.32 -0.47 1.77 -0.09 0.98 0.00 0.00 173.24 175.75 3i3j h ARG 1137N 0.87 0.23 -0.74 4.02 2.43 -1.94 -2.52 114.38 116.74 3i3j h ARG 1137Ca -0.47 -0.01 0.06 0.00 -0.81 0.00 0.00 59.98 58.75 3i3j h ARG 1137Cb 1.19 -0.05 -0.06 0.00 -0.42 0.00 0.00 29.97 30.63 3i3j h ARG 1137CO 0.63 0.15 0.43 0.28 -1.51 0.00 0.00 179.97 179.95 3i3j h VAL 1138N 0.24 0.99 -0.49 0.20 2.07 -1.94 -0.07 116.25 117.25 3i3j h VAL 1138Ca 0.07 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.36 3i3j h VAL 1138Cb -0.02 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 29.85 3i3j h VAL 1138CO -0.02 0.14 0.26 0.22 0.02 0.00 0.00 177.57 178.19 3i3j h TYR 1139N 0.78 0.48 -0.43 1.57 3.20 -1.73 0.13 116.97 120.97 3i3j h TYR 1139Ca 0.33 0.02 -0.09 0.00 3.14 0.00 0.00 58.73 62.13 3i3j h TYR 1139Cb 0.18 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 3i3j h TYR 1139CO -0.06 0.25 -0.08 0.87 -1.64 0.00 0.00 178.16 177.50 3i3j h LYS 1140N 0.51 0.81 -0.62 1.82 6.56 -0.99 -1.97 116.57 122.68 3i3j h LYS 1140Ca 0.21 -0.30 0.08 0.00 -1.06 0.00 0.00 60.65 59.58 3i3j h LYS 1140Cb 0.10 -0.05 -0.06 0.00 -0.57 0.00 0.00 32.23 31.64 3i3j h LYS 1140CO -0.14 0.92 0.29 1.88 -2.06 0.00 0.00 179.45 180.34 3i3j h TYR 1141N 0.64 0.52 -0.30 -1.35 -1.99 -0.57 -0.82 116.97 113.10 3i3j h TYR 1141Ca 0.11 0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.91 3i3j h TYR 1141Cb 0.60 -0.14 -0.04 0.00 2.00 0.00 0.00 36.73 39.16 3i3j h TYR 1141CO 0.05 0.19 0.08 0.00 -0.00 0.00 0.00 178.16 178.48 3i3j h SER 1143N 0.19 1.11 -0.14 0.00 0.02 -0.60 0.06 113.55 114.18 3i3j h SER 1143Ca 0.14 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3i3j h SER 1143Cb 0.13 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.41 3i3j h SER 1143CO -0.17 0.77 0.08 0.50 -1.14 0.00 0.00 176.83 176.87 3i3j h LYS 1144N 1.29 0.20 -0.57 3.45 1.63 -0.51 -1.94 116.57 120.12 3i3j h LYS 1144Ca 0.39 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.20 3i3j h LYS 1144Cb -0.05 -0.04 -0.04 0.00 -0.60 0.00 0.00 32.23 31.49 3i3j h LYS 1144CO -0.11 0.20 0.32 -0.07 -3.45 0.00 0.00 179.45 176.34 3i3j h LEU 1145N 0.14 0.49 -0.69 5.20 3.38 -0.35 -1.05 115.31 122.43 3i3j h LEU 1145Ca 0.05 0.02 0.15 0.00 0.09 0.00 0.00 57.88 58.19 3i3j h LEU 1145Cb 0.06 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 40.61 3i3j h LEU 1145CO -0.01 0.33 -0.03 -1.28 0.09 0.00 0.00 178.44 177.54 3i3j h SER 1146N 0.61 -0.38 -0.10 -0.43 0.87 -0.74 0.19 113.55 113.57 3i3j h SER 1146Ca 0.24 0.18 -0.12 0.00 -1.23 0.00 0.00 61.79 60.87 3i3j h SER 1146Cb 0.10 0.33 -0.01 0.00 -0.44 0.00 0.00 62.40 62.38 3i3j h SER 1146CO -0.14 -0.16 -0.31 -0.33 -0.53 0.00 0.00 176.83 175.35 3i3j h GLU 1147N 0.09 0.58 -0.24 2.24 5.08 -0.48 -1.81 114.58 120.04 3i3j h GLU 1147Ca 0.36 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.44 3i3j h GLU 1147Cb 0.60 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 3i3j h GLU 1147CO -0.62 0.83 0.06 0.28 -1.00 0.00 0.00 179.01 178.55 3i3j h VAL 1148N 0.50 1.21 -0.40 3.13 2.07 -0.20 -3.05 116.25 119.51 3i3j h VAL 1148Ca 0.06 -0.69 0.04 0.00 0.82 0.00 0.00 66.70 66.93 3i3j h VAL 1148Cb 0.79 1.21 -0.04 0.00 -1.52 0.00 0.00 31.29 31.73 3i3j h VAL 1148CO 0.06 0.22 0.17 0.15 0.02 0.00 0.00 177.57 178.19 3i3j h PHE 1149N 0.22 0.31 -0.73 1.57 3.57 -0.39 -1.70 116.94 119.78 3i3j h PHE 1149Ca 0.08 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.64 3i3j h PHE 1149Cb 0.28 -0.08 -0.05 0.00 2.79 0.00 0.00 35.95 38.89 3i3j h PHE 1149CO 0.01 0.14 0.44 0.93 -2.23 0.00 0.00 178.31 177.60 3i3j h GLU 1150N 0.35 0.81 -0.21 1.11 3.07 -1.33 0.33 114.58 118.71 3i3j h GLU 1150Ca 0.18 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.36 58.90 3i3j h GLU 1150Cb 0.12 -0.18 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 3i3j h GLU 1150CO -0.15 0.54 -0.23 1.96 -1.40 0.00 0.00 179.01 179.72 3i3j h GLN 1151N 0.83 0.39 -0.01 2.33 4.20 -1.38 -3.21 115.11 118.27 3i3j h GLN 1151Ca 0.31 -0.14 -0.01 0.00 0.06 0.00 0.00 58.65 58.87 3i3j h GLN 1151Cb 0.10 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.85 3i3j h GLN 1151CO -0.14 0.61 -0.04 0.93 -0.67 0.00 0.00 178.83 179.52 3i3j h GLU 1152N 0.35 0.03 -0.00 1.46 4.39 -0.08 -3.39 114.58 117.34 3i3j h GLU 1152Ca 0.06 -0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.55 3i3j h GLU 1152Cb 0.61 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.25 3i3j h GLU 1152CO 0.04 0.71 -0.81 0.97 -1.16 0.00 0.00 179.01 178.76 3i3j h ILE 1153N -0.63 1.52 0.12 3.13 6.09 -0.51 -3.36 117.51 123.88 3i3j h ILE 1153Ca -0.00 -2.60 0.02 0.00 -1.37 0.00 0.00 64.86 60.90 3i3j h ILE 1153Cb 0.72 2.42 -0.04 0.00 0.47 0.00 0.00 36.82 40.39 3i3j h ILE 1153CO 0.01 0.75 -0.36 0.44 -3.07 0.00 0.00 178.15 175.92 3i3j h ASP 1154N 0.06 -1.05 -0.19 2.19 5.19 -1.75 -0.80 116.42 120.06 3i3j h ASP 1154Ca -0.02 0.12 -0.03 0.00 -0.62 0.00 0.00 57.03 56.47 3i3j h ASP 1154Cb 1.42 0.40 -0.02 0.00 0.18 0.00 0.00 39.33 41.31 3i3j h ASP 1154CO 0.11 -0.45 0.03 -0.65 -3.12 0.00 0.00 179.24 175.17 3i3j h PRO 1155N -0.59 0.42 -0.37 3.56 0.11 -1.82 -2.71 132.00 130.60 3i3j h PRO 1155Ca 0.03 -0.07 -0.09 0.00 0.11 0.00 0.00 66.00 65.97 3i3j h PRO 1155Cb 0.62 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 3i3j h PRO 1155CO -0.21 0.43 -0.14 0.28 -0.21 0.00 0.00 178.00 178.15 3i3j h VAL 1156N 0.42 1.28 -0.69 3.15 2.07 -1.59 -2.80 116.25 118.09 3i3j h VAL 1156Ca 0.10 -1.25 -0.04 0.00 0.82 0.00 0.00 66.70 66.32 3i3j h VAL 1156Cb 0.23 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.28 3i3j h VAL 1156CO 0.00 0.41 0.25 0.24 0.02 0.00 0.00 177.57 178.50 3i3j h MET 1157N 0.54 1.02 -0.76 1.57 2.86 -0.86 -2.57 114.93 116.73 3i3j h MET 1157Ca 0.09 -0.18 -0.00 0.00 -2.06 0.00 0.00 59.70 57.54 3i3j h MET 1157Cb 0.67 -0.17 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 3i3j h MET 1157CO 0.05 0.85 0.47 1.96 1.06 0.00 0.00 176.91 181.29 3i3j h GLN 1158N 1.00 1.02 0.00 1.72 4.20 -1.39 0.17 115.11 121.84 3i3j h GLN 1158Ca 0.23 -0.09 0.00 0.00 0.06 0.00 0.00 58.65 58.85 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 0.71 0.00 0.43 -0.67 0.00 0.00 178.83 179.29 3i3j n SER 1159N -4.51 0.62 -0.11 1.46 7.64 -0.99 -3.60 113.62 114.13 3i3j n SER 1159Ca 0.07 0.68 -0.23 0.00 1.01 0.00 0.00 58.87 60.41 3i3j n SER 1159Cb 0.05 -0.80 -0.08 0.00 -1.01 0.00 0.00 64.21 62.37 3i3j n SER 1159CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 3i3j n LEU 1160N -2.22 1.67 -0.02 -3.43 4.77 -0.64 -5.11 117.00 112.01 3i3j n LEU 1160Ca 0.01 0.29 0.16 0.00 -0.03 0.00 0.00 56.01 56.44 3i3j n LEU 1160Cb 0.18 -0.69 0.93 0.00 -2.33 0.00 0.00 43.42 41.51 3i3j n LEU 1160CO 0.17 0.37 1.10 0.61 -1.33 0.00 0.00 177.39 178.30