#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s57 n GLU 84 N 0.00 1.53 -4.19 5.55 2.13 -1.26 -4.76 120.64 119.65 1s57 n GLU 84 Ca 0.00 0.54 -0.17 0.00 0.66 0.00 0.00 57.16 58.19 1s57 n GLU 84 Cb 0.00 -1.98 -0.11 0.00 0.27 0.00 0.00 31.44 29.61 1s57 n GLU 84 CO 0.00 0.00 0.00 -1.21 -0.41 0.00 0.00 177.13 175.51 1s57 s GLU 85 N -1.69 0.87 0.03 5.31 2.02 -1.26 -1.30 118.70 122.68 1s57 s GLU 85 Ca 0.58 -1.09 -0.01 0.00 0.02 0.00 0.00 54.97 54.48 1s57 s GLU 85 Cb -0.65 -0.74 -0.03 0.00 0.10 0.00 0.00 34.13 32.81 1s57 s GLU 85 CO 0.60 0.15 -0.02 -0.08 0.02 0.00 0.00 175.26 175.93 1s57 s THR 86 N -1.87 0.15 -0.25 3.63 -1.32 -0.17 -4.44 115.64 111.38 1s57 s THR 86 Ca 0.03 -1.26 -0.10 0.00 -1.21 0.00 0.00 61.69 59.15 1s57 s THR 86 Cb -0.06 -0.78 -0.05 0.00 -1.51 0.00 0.00 72.50 70.10 1s57 s THR 86 CO 0.02 -0.69 0.16 -0.47 -2.21 0.00 0.00 174.62 171.42 1s57 s TYR 87 N -2.46 3.26 -0.08 9.09 5.04 -1.26 -1.47 117.35 129.46 1s57 s TYR 87 Ca -0.07 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.74 1s57 s TYR 87 Cb -0.03 -2.29 -0.00 0.00 0.35 0.00 0.00 41.96 39.99 1s57 s TYR 87 CO -0.05 -0.03 -0.22 0.42 -1.34 0.00 0.00 175.55 174.33 1s57 s ILE 88 N 1.29 1.89 -0.05 3.14 1.01 0.24 -1.77 121.20 126.96 1s57 s ILE 88 Ca 0.07 -0.94 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1s57 s ILE 88 Cb -0.14 -1.63 0.01 0.00 0.01 0.00 0.00 42.46 40.70 1s57 s ILE 88 CO 0.06 0.52 -0.12 -0.32 0.00 0.00 0.00 174.94 175.09 1s57 s MET 89 N 0.24 1.48 -0.38 2.79 1.75 -0.12 -0.18 119.30 124.88 1s57 s MET 89 Ca -0.14 -0.41 -0.20 0.00 -1.25 0.00 0.00 55.69 53.69 1s57 s MET 89 Cb -0.16 -1.28 0.01 0.00 2.84 0.00 0.00 34.83 36.24 1s57 s MET 89 CO 0.07 0.09 0.62 0.08 -0.65 0.00 0.00 175.02 175.23 1s57 s VAL 90 N 0.41 4.89 0.94 10.11 1.01 -0.35 -0.74 120.40 136.67 1s57 s VAL 90 Ca -0.09 0.42 -0.12 0.00 0.00 0.00 0.00 61.98 62.20 1s57 s VAL 90 Cb -0.13 -4.09 0.16 0.00 0.00 0.00 0.00 36.38 32.32 1s57 s VAL 90 CO 0.02 -0.37 1.09 -0.54 0.00 0.00 0.00 175.10 175.30 1s57 s LYS 91 N 2.69 0.85 0.34 2.72 1.02 0.62 -1.92 119.74 126.05 1s57 s LYS 91 Ca 0.23 0.87 0.14 0.00 0.02 0.00 0.00 55.97 57.22 1s57 s LYS 91 Cb -0.15 -1.76 1.06 0.00 -0.52 0.00 0.00 37.83 36.47 1s57 s LYS 91 CO 0.16 -2.53 1.67 -1.35 -0.92 0.00 0.00 175.35 172.37 1s57 h PRO 92 N -1.76 0.34 0.00 -1.68 0.11 -1.84 0.16 132.00 127.34 1s57 h PRO 92 Ca -0.51 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.55 1s57 h PRO 92 Cb 1.29 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.32 1s57 h PRO 92 CO 0.53 0.23 -0.13 0.38 -0.21 0.00 0.00 178.00 178.79 1s57 h ASP 93 N 0.35 0.00 -0.12 -2.05 2.03 -1.89 -2.11 116.42 112.63 1s57 h ASP 93 Ca 0.72 0.00 -0.20 0.00 -0.73 0.00 0.00 57.03 56.82 1s57 h ASP 93 Cb 1.62 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.12 1s57 h ASP 93 CO -0.59 0.13 -0.67 1.23 -1.03 0.00 0.00 179.24 178.31 1s57 h GLY 94 N 1.06 0.82 0.85 7.15 0.00 -0.88 -2.18 103.07 109.89 1s57 h GLY 94 Ca -0.00 -1.07 -0.07 0.00 0.00 0.00 0.00 47.33 46.19 1s57 h GLY 94 CO 0.02 0.95 -0.11 -2.22 0.00 0.00 0.00 176.54 175.18 1s57 h ILE 95 N 0.54 1.30 -0.25 2.60 5.03 -1.42 -0.72 117.51 124.60 1s57 h ILE 95 Ca -0.02 -1.19 -0.01 0.00 -0.12 0.00 0.00 64.86 63.52 1s57 h ILE 95 Cb 1.28 1.56 -0.01 0.00 -3.03 0.00 0.00 36.82 36.62 1s57 h ILE 95 CO 0.14 0.37 0.09 1.56 -0.68 0.00 0.00 178.15 179.62 1s57 h GLN 96 N 0.23 0.34 -0.20 2.37 1.08 -1.40 -2.04 115.11 115.49 1s57 h GLN 96 Ca 0.05 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 1s57 h GLN 96 Cb 0.61 -0.07 0.00 0.00 -0.05 0.00 0.00 27.48 27.98 1s57 h GLN 96 CO 0.03 0.30 0.00 0.54 -0.95 0.00 0.00 178.83 178.75 1s57 n ARG 97 N -4.42 1.97 -3.38 1.46 1.74 -0.82 -4.97 116.66 108.24 1s57 n ARG 97 Ca 0.01 -1.46 -0.17 0.00 -0.77 0.00 0.00 57.85 55.46 1s57 n ARG 97 Cb 0.13 -1.44 0.09 0.00 -1.02 0.00 0.00 32.46 30.22 1s57 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s57 n GLY 98 N 1.25 -0.34 0.58 -0.13 0.00 -0.77 -4.94 105.19 100.85 1s57 n GLY 98 Ca 0.17 0.09 0.06 0.00 0.00 0.00 0.00 46.02 46.33 1s57 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s57 n LEU 99 N -4.06 2.61 0.15 0.99 4.77 -0.32 -4.73 117.00 116.41 1s57 n LEU 99 Ca -0.25 -1.67 -0.14 0.00 -0.03 0.00 0.00 56.01 53.92 1s57 n LEU 99 Cb 0.65 -0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.52 1s57 n LEU 99 CO 0.59 0.61 0.69 0.58 -1.33 0.00 0.00 177.39 178.53 1s57 h VAL 100 N 2.11 0.43 -0.63 4.08 2.07 -1.91 -0.80 116.25 121.59 1s57 h VAL 100 Ca 0.00 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.50 1s57 h VAL 100 Cb 0.65 0.43 -0.03 0.00 -1.52 0.00 0.00 31.29 30.82 1s57 h VAL 100 CO 0.00 0.00 0.32 1.23 0.02 0.00 0.00 177.57 179.14 1s57 h GLY 101 N -0.53 0.96 0.92 2.17 0.00 -1.96 -1.78 103.07 102.84 1s57 h GLY 101 Ca 0.01 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 46.90 1s57 h GLY 101 CO -0.09 0.44 0.45 -2.09 0.00 0.00 0.00 176.54 175.24 1s57 h GLU 102 N 0.87 0.86 -0.32 4.80 4.81 -1.82 0.27 114.58 124.05 1s57 h GLU 102 Ca 0.22 -0.05 -0.07 0.00 -0.13 0.00 0.00 59.36 59.33 1s57 h GLU 102 Cb 0.09 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.26 1s57 h GLU 102 CO -0.03 0.57 -0.08 0.82 -0.73 0.00 0.00 179.01 179.56 1s57 h ILE 103 N 0.89 1.28 -0.72 2.32 2.04 -0.96 -2.66 117.51 119.70 1s57 h ILE 103 Ca 0.27 -1.13 0.00 0.00 1.00 0.00 0.00 64.86 65.01 1s57 h ILE 103 Cb -0.02 1.36 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 1s57 h ILE 103 CO -0.09 0.36 0.46 0.40 0.00 0.00 0.00 178.15 179.28 1s57 h ILE 104 N 0.39 1.20 -0.33 -0.67 2.04 -0.99 -2.45 117.51 116.70 1s57 h ILE 104 Ca 0.08 -0.40 -0.01 0.00 1.00 0.00 0.00 64.86 65.53 1s57 h ILE 104 Cb 0.57 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 36.80 1s57 h ILE 104 CO 0.03 0.20 0.16 0.28 0.00 0.00 0.00 178.15 178.82 1s57 h SER 105 N 0.98 0.40 -0.92 1.72 0.02 -0.81 -1.03 113.55 113.91 1s57 h SER 105 Ca 0.26 -0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 1s57 h SER 105 Cb -0.07 -0.10 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1s57 h SER 105 CO -0.05 0.34 0.55 0.03 -1.14 0.00 0.00 176.83 176.55 1s57 h ARG 106 N 0.45 1.25 0.03 3.45 3.08 -1.08 0.87 114.38 122.43 1s57 h ARG 106 Ca 0.12 -0.12 -0.23 0.00 0.07 0.00 0.00 59.98 59.82 1s57 h ARG 106 Cb 0.04 -0.26 -0.02 0.00 0.08 0.00 0.00 29.97 29.81 1s57 h ARG 106 CO -0.02 0.88 -1.08 0.74 -1.07 0.00 0.00 179.97 179.42 1s57 h PHE 107 N 1.26 0.11 -0.13 3.04 0.04 -1.41 -2.60 116.94 117.26 1s57 h PHE 107 Ca 0.33 -0.08 -0.02 0.00 2.80 0.00 0.00 57.97 60.99 1s57 h PHE 107 Cb -0.05 -0.00 -0.00 0.00 2.20 0.00 0.00 35.95 38.09 1s57 h PHE 107 CO 0.00 1.07 -0.01 0.93 -0.60 0.00 0.00 178.31 179.70 1s57 h GLU 108 N 0.02 0.24 -0.10 1.51 5.08 -0.86 -2.92 114.58 117.56 1s57 h GLU 108 Ca -0.05 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 1s57 h GLU 108 Cb 1.82 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.05 1s57 h GLU 108 CO 0.15 0.50 -0.15 0.87 -1.00 0.00 0.00 179.01 179.38 1s57 h LYS 109 N -0.05 0.15 -0.78 2.33 1.57 -0.91 -2.29 116.57 116.59 1s57 h LYS 109 Ca 0.04 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1s57 h LYS 109 Cb 0.40 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.65 1s57 h LYS 109 CO 0.01 0.31 0.48 -0.22 -0.57 0.00 0.00 179.45 179.45 1s57 h LYS 110 N 0.14 1.06 0.00 3.15 1.63 -1.31 -3.47 116.57 117.77 1s57 h LYS 110 Ca 0.03 -0.09 0.00 0.00 -0.85 0.00 0.00 60.65 59.74 1s57 h LYS 110 Cb 0.36 -0.23 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 1s57 h LYS 110 CO 0.02 0.74 0.00 0.41 -3.45 0.00 0.00 179.45 177.17 1s57 n GLY 111 N -1.30 1.19 3.89 5.01 0.00 -0.86 -5.11 105.19 108.02 1s57 n GLY 111 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1s57 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s57 s PHE 112 N -2.00 3.57 -0.24 1.61 0.08 -1.14 -5.05 117.98 114.81 1s57 s PHE 112 Ca 0.00 0.97 -0.12 0.00 0.12 0.00 0.00 56.93 57.90 1s57 s PHE 112 Cb 0.00 -2.47 -0.05 0.00 -0.57 0.00 0.00 43.02 39.94 1s57 s PHE 112 CO 0.00 -0.45 0.24 0.21 -0.10 0.00 0.00 175.22 175.13 1s57 s LYS 113 N -4.91 4.06 -0.28 0.44 2.20 -0.61 -4.64 119.74 116.01 1s57 s LYS 113 Ca 0.50 -0.14 -0.28 0.00 -0.36 0.00 0.00 55.97 55.69 1s57 s LYS 113 Cb -0.11 -3.58 0.01 0.00 -1.51 0.00 0.00 37.83 32.65 1s57 s LYS 113 CO 0.48 -0.05 1.02 -1.17 -0.36 0.00 0.00 175.35 175.27 1s57 s LEU 114 N 1.38 4.02 0.00 5.43 2.96 -1.26 -0.21 118.68 130.99 1s57 s LEU 114 Ca 0.11 1.14 0.00 0.00 -0.22 0.00 0.00 54.13 55.16 1s57 s LEU 114 Cb -0.15 -3.48 -0.00 0.00 0.50 0.00 0.00 46.19 43.07 1s57 s LEU 114 CO 0.07 -0.75 0.24 2.30 -1.32 0.00 0.00 176.35 176.89 1s57 n ILE 115 N 5.59 0.00 -3.73 6.68 -5.35 -0.02 -4.96 119.36 117.57 1s57 n ILE 115 Ca 0.11 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.97 1s57 n ILE 115 Cb 0.47 1.00 -0.11 0.00 -1.74 0.00 0.00 39.64 39.27 1s57 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s57 s GLY 116 N -0.57 -0.29 -0.28 3.28 0.00 -0.90 0.69 107.32 109.26 1s57 s GLY 116 Ca 0.00 1.23 -0.21 0.00 0.00 0.00 0.00 44.72 45.74 1s57 s GLY 116 CO 0.01 1.20 0.75 -2.27 0.00 0.00 0.00 173.10 172.78 1s57 s LEU 117 N 0.64 -0.80 -0.29 0.66 2.96 -1.26 -1.36 118.68 119.24 1s57 s LEU 117 Ca -0.04 1.40 -0.24 0.00 -0.22 0.00 0.00 54.13 55.03 1s57 s LEU 117 Cb -0.05 2.35 0.16 0.00 0.50 0.00 0.00 46.19 49.15 1s57 s LEU 117 CO -0.04 -0.23 1.23 -1.59 -1.32 0.00 0.00 176.35 174.39 1s57 s LYS 118 N 0.95 0.27 0.12 1.98 -2.85 -0.75 -5.00 119.74 114.47 1s57 s LYS 118 Ca -0.04 0.34 -0.29 0.00 -1.00 0.00 0.00 55.97 54.98 1s57 s LYS 118 Cb -0.05 0.13 -0.06 0.00 -2.06 0.00 0.00 37.83 35.78 1s57 s LYS 118 CO -0.09 -0.03 0.91 1.41 0.10 0.00 0.00 175.35 177.64 1s57 s MET 119 N 0.24 4.67 -0.02 1.78 -2.45 -1.26 -0.65 119.30 121.62 1s57 s MET 119 Ca 0.04 1.37 -0.06 0.00 -1.25 0.00 0.00 55.69 55.79 1s57 s MET 119 Cb -0.05 -3.35 0.00 0.00 1.25 0.00 0.00 34.83 32.68 1s57 s MET 119 CO -0.11 0.29 0.13 0.12 1.05 0.00 0.00 175.02 176.50 1s57 s PHE 120 N -0.24 -0.02 -0.47 4.11 5.36 0.14 -4.94 117.98 121.91 1s57 s PHE 120 Ca 0.44 0.04 -0.16 0.00 -0.96 0.00 0.00 56.93 56.29 1s57 s PHE 120 Cb -0.23 -0.02 0.07 0.00 -0.34 0.00 0.00 43.02 42.50 1s57 s PHE 120 CO 0.29 -0.20 0.43 -1.14 -1.46 0.00 0.00 175.22 173.13 1s57 s GLN 121 N -0.82 3.00 -0.04 10.12 2.00 -1.26 -0.08 119.66 132.57 1s57 s GLN 121 Ca -0.09 -1.26 -0.30 0.00 -2.00 0.00 0.00 55.36 51.71 1s57 s GLN 121 Cb -0.05 -4.12 -0.04 0.00 0.80 0.00 0.00 33.01 29.60 1s57 s GLN 121 CO 0.01 -1.05 1.29 0.00 -0.50 0.00 0.00 175.29 175.05 1s57 s PRO 123 N 2.39 4.56 0.28 0.00 0.04 -1.26 -4.66 135.00 136.35 1s57 s PRO 123 Ca 0.59 1.51 0.01 0.00 0.04 0.00 0.00 61.00 63.15 1s57 s PRO 123 Cb -0.27 -2.92 0.66 0.00 0.04 0.00 0.00 34.50 32.01 1s57 s PRO 123 CO 0.23 0.22 1.67 -0.22 0.04 0.00 0.00 177.00 178.94 1s57 h LYS 124 N 3.36 0.28 0.07 4.56 3.64 -1.95 -1.26 116.57 125.27 1s57 h LYS 124 Ca -0.47 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 58.92 1s57 h LYS 124 Cb 1.20 -0.06 -0.04 0.00 -0.41 0.00 0.00 32.23 32.92 1s57 h LYS 124 CO 0.65 0.18 -0.28 0.93 -2.27 0.00 0.00 179.45 178.67 1s57 h GLU 125 N 0.29 -0.45 -0.99 1.90 3.07 -2.00 -1.25 114.58 115.14 1s57 h GLU 125 Ca 0.53 0.03 0.01 0.00 -0.50 0.00 0.00 59.36 59.43 1s57 h GLU 125 Cb 1.01 0.10 -0.05 0.00 -0.84 0.00 0.00 28.75 28.97 1s57 h GLU 125 CO -0.58 -0.30 0.66 1.25 -1.40 0.00 0.00 179.01 178.64 1s57 h LEU 126 N -0.47 1.15 -0.88 1.33 5.85 -1.66 -1.88 115.31 118.75 1s57 h LEU 126 Ca 0.04 -0.03 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1s57 h LEU 126 Cb 0.52 -0.29 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 1s57 h LEU 126 CO -0.19 0.83 0.45 0.00 -0.34 0.00 0.00 178.44 179.19 1s57 h ALA 127 N 1.37 1.14 -0.08 1.25 0.00 -0.93 -0.63 119.26 121.38 1s57 h ALA 127 Ca 0.36 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1s57 h ALA 127 Cb -0.15 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.27 1s57 h ALA 127 CO -0.08 0.67 -0.53 0.93 0.00 0.00 0.00 179.25 180.25 1s57 h GLU 128 N 1.25 0.22 -0.05 0.00 5.08 -0.70 -1.85 114.58 118.52 1s57 h GLU 128 Ca 0.31 -0.13 -0.20 0.00 -1.00 0.00 0.00 59.36 58.33 1s57 h GLU 128 Cb 0.07 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 1s57 h GLU 128 CO -0.04 0.70 -0.82 0.93 -1.00 0.00 0.00 179.01 178.77 1s57 h GLU 129 N 0.18 0.44 0.16 2.33 4.39 -0.99 -2.88 114.58 118.20 1s57 h GLU 129 Ca 0.00 -0.40 -0.01 0.00 0.34 0.00 0.00 59.36 59.29 1s57 h GLU 129 Cb 0.99 0.10 0.00 0.00 -0.10 0.00 0.00 28.75 29.74 1s57 h GLU 129 CO 0.08 1.05 -0.08 1.25 -1.16 0.00 0.00 179.01 180.15 1s57 h HIS 130 N 0.28 -0.20 -1.00 4.33 2.76 -0.98 -3.14 115.15 117.20 1s57 h HIS 130 Ca -0.05 -0.00 -0.53 0.00 -2.20 0.00 0.00 60.37 57.58 1s57 h HIS 130 Cb 1.42 0.07 -0.21 0.00 1.55 0.00 0.00 27.41 30.24 1s57 h HIS 130 CO 0.05 0.05 0.63 0.66 -1.30 0.00 0.00 177.93 178.03 1s57 n TYR 131 N -5.08 2.22 0.20 5.26 4.01 -0.71 -4.57 117.16 118.49 1s57 n TYR 131 Ca -0.09 -2.29 0.06 0.00 -0.16 0.00 0.00 57.90 55.42 1s57 n TYR 131 Cb 0.19 -1.23 0.43 0.00 -0.31 0.00 0.00 39.34 38.42 1s57 n TYR 131 CO 0.00 0.00 0.00 -0.22 -0.46 0.00 0.00 176.86 176.18 1s57 h LYS 132 N 2.24 0.00 0.00 -0.72 3.64 -1.46 -2.50 116.57 117.77 1s57 h LYS 132 Ca 0.44 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.82 1s57 h LYS 132 Cb 0.70 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1s57 h LYS 132 CO 1.11 0.32 0.00 -0.25 -2.27 0.00 0.00 179.45 178.36 1s57 n ASP 133 N -3.75 0.00 -0.12 4.20 8.00 -1.26 -2.30 116.55 121.31 1s57 n ASP 133 Ca -0.01 -1.04 0.00 0.00 0.71 0.00 0.00 54.79 54.45 1s57 n ASP 133 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1s57 n ASP 133 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s57 n LEU 134 N -0.67 0.22 -0.10 0.64 4.77 -0.95 -4.87 117.00 116.05 1s57 n LEU 134 Ca 0.05 -0.48 0.08 0.00 -0.03 0.00 0.00 56.01 55.63 1s57 n LEU 134 Cb 0.02 -0.01 0.43 0.00 -2.33 0.00 0.00 43.42 41.53 1s57 n LEU 134 CO 0.04 0.12 1.19 0.77 -1.33 0.00 0.00 177.39 178.18 1s57 h SER 135 N 0.00 0.49 0.01 -1.43 4.64 -1.42 -1.45 113.55 114.39 1s57 h SER 135 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1s57 h SER 135 Cb 1.05 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 63.04 1s57 h SER 135 CO 0.00 0.32 -0.01 0.00 -0.87 0.00 0.00 176.83 176.27 1s57 n ALA 136 N -2.48 2.63 -1.82 5.18 0.00 -1.26 -4.87 120.51 117.89 1s57 n ALA 136 Ca 0.08 -0.34 -0.33 0.00 0.00 0.00 0.00 53.44 52.86 1s57 n ALA 136 Cb 0.25 -1.32 -0.06 0.00 0.00 0.00 0.00 19.45 18.31 1s57 n ALA 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s57 s LYS 137 N -2.02 4.16 0.46 0.00 -0.14 -0.55 -4.96 119.74 116.69 1s57 s LYS 137 Ca 0.42 1.13 0.30 0.00 -1.36 0.00 0.00 55.97 56.46 1s57 s LYS 137 Cb 0.21 -2.17 1.12 0.00 -1.68 0.00 0.00 37.83 35.31 1s57 s LYS 137 CO 0.36 -0.10 1.87 0.66 -0.76 0.00 0.00 175.35 177.38 1s57 h SER 138 N 1.78 0.00 -0.05 2.83 4.64 -1.90 -2.64 113.55 118.21 1s57 h SER 138 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 1s57 h SER 138 Cb 1.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 1s57 h SER 138 CO 0.61 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.79 1s57 n PHE 139 N -2.88 0.04 -0.14 4.77 1.16 -1.26 -4.45 117.46 114.71 1s57 n PHE 139 Ca 0.02 -0.02 -0.04 0.00 -1.87 0.00 0.00 57.45 55.54 1s57 n PHE 139 Cb 0.33 0.00 0.04 0.00 -1.61 0.00 0.00 39.48 38.24 1s57 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s57 h PHE 140 N 3.83 0.12 -0.34 2.97 3.57 -1.69 -1.48 116.94 123.91 1s57 h PHE 140 Ca 0.00 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1s57 h PHE 140 Cb 0.82 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 39.55 1s57 h PHE 140 CO 0.02 -0.01 0.21 -1.00 -2.23 0.00 0.00 178.31 175.30 1s57 h PRO 141 N 0.21 0.41 -0.08 6.41 0.13 -1.81 -1.33 132.00 135.94 1s57 h PRO 141 Ca 0.22 -0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 65.29 1s57 h PRO 141 Cb 0.28 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 31.31 1s57 h PRO 141 CO -0.29 0.27 -0.08 -0.91 -0.23 0.00 0.00 178.00 176.75 1s57 h ASN 142 N 0.42 0.11 -0.10 1.44 2.35 -1.80 -2.47 115.58 115.53 1s57 h ASN 142 Ca 0.13 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.84 1s57 h ASN 142 Cb -0.01 -0.03 -0.00 0.00 0.05 0.00 0.00 38.32 38.33 1s57 h ASN 142 CO -0.05 0.21 -0.06 0.25 -1.65 0.00 0.00 177.43 176.13 1s57 h LEU 143 N 0.12 0.22 -0.32 1.61 6.46 -0.57 -2.29 115.31 120.54 1s57 h LEU 143 Ca 0.03 -0.43 0.01 0.00 -0.12 0.00 0.00 57.88 57.37 1s57 h LEU 143 Cb 0.23 -0.06 -0.02 0.00 -0.73 0.00 0.00 40.66 40.08 1s57 h LEU 143 CO 0.01 0.60 0.19 0.40 -0.62 0.00 0.00 178.44 179.03 1s57 h ILE 144 N -0.15 1.05 0.00 4.05 1.08 -0.94 -1.75 117.51 120.85 1s57 h ILE 144 Ca 0.02 -0.14 -0.05 0.00 -0.39 0.00 0.00 64.86 64.31 1s57 h ILE 144 Cb 0.52 0.62 -0.01 0.00 -3.07 0.00 0.00 36.82 34.88 1s57 h ILE 144 CO 0.02 0.07 -0.21 -0.33 -0.69 0.00 0.00 178.15 177.00 1s57 h GLU 145 N 0.39 0.00 -0.07 2.37 3.07 -1.50 -2.67 114.58 116.18 1s57 h GLU 145 Ca 0.12 0.00 -0.07 0.00 -0.50 0.00 0.00 59.36 58.91 1s57 h GLU 145 Cb -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.90 1s57 h GLU 145 CO -0.05 0.21 -0.24 -0.92 -1.40 0.00 0.00 179.01 176.62 1s57 h TYR 146 N 0.00 0.38 0.00 4.33 3.20 -0.81 -0.46 116.97 123.60 1s57 h TYR 146 Ca -0.00 -0.16 0.00 0.00 3.14 0.00 0.00 58.73 61.71 1s57 h TYR 146 Cb 0.55 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.75 1s57 h TYR 146 CO 0.00 0.86 0.00 0.82 -1.64 0.00 0.00 178.16 178.20 1s57 h ILE 147 N -0.20 0.00 -0.28 1.81 1.08 -1.21 -1.45 117.51 117.25 1s57 h ILE 147 Ca -0.01 -0.23 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1s57 h ILE 147 Cb 0.87 0.96 0.00 0.00 -3.07 0.00 0.00 36.82 35.58 1s57 h ILE 147 CO 0.05 0.00 0.00 0.41 -0.69 0.00 0.00 178.15 177.92 1s57 n THR 148 N -2.36 0.70 1.44 -0.27 -1.04 -1.02 -4.49 114.28 107.24 1s57 n THR 148 Ca 0.01 -0.85 0.12 0.00 -2.04 0.00 0.00 64.05 61.29 1s57 n THR 148 Cb 0.21 0.73 0.69 0.00 -1.82 0.00 0.00 70.33 70.14 1s57 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1s57 n SER 149 N 0.66 0.00 0.00 8.00 3.41 -0.19 -4.88 113.62 120.61 1s57 n SER 149 Ca 0.11 -0.66 0.00 0.00 -0.26 0.00 0.00 58.87 58.06 1s57 n SER 149 Cb 0.41 -0.03 0.00 0.00 -0.26 0.00 0.00 64.21 64.32 1s57 n SER 149 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1s57 n GLY 150 N 0.51 1.00 3.73 5.00 0.00 -1.26 -5.08 105.19 109.09 1s57 n GLY 150 Ca 0.17 -0.91 -0.35 0.00 0.00 0.00 0.00 46.02 44.93 1s57 n GLY 150 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1s57 s PRO 151 N -2.00 2.48 0.39 1.61 0.04 -1.26 -4.68 135.00 131.59 1s57 s PRO 151 Ca 0.00 1.86 0.06 0.00 0.04 0.00 0.00 61.00 62.96 1s57 s PRO 151 Cb 0.00 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.60 1s57 s PRO 151 CO 0.00 -1.60 0.02 0.14 0.04 0.00 0.00 177.00 175.61 1s57 s VAL 152 N -1.72 1.80 -0.25 -0.36 -7.23 0.88 -4.10 120.40 109.41 1s57 s VAL 152 Ca 0.77 -2.00 0.03 0.00 -1.81 0.00 0.00 61.98 58.97 1s57 s VAL 152 Cb -0.32 -2.93 0.06 0.00 0.56 0.00 0.00 36.38 33.75 1s57 s VAL 152 CO 0.40 0.00 -0.11 -0.69 -0.31 0.00 0.00 175.10 174.40 1s57 s VAL 153 N -2.84 2.09 0.12 1.32 1.01 -0.81 0.26 120.40 121.55 1s57 s VAL 153 Ca 0.35 -1.57 -0.25 0.00 0.00 0.00 0.00 61.98 60.50 1s57 s VAL 153 Cb 0.10 -2.21 -0.07 0.00 0.00 0.00 0.00 36.38 34.19 1s57 s VAL 153 CO 0.17 -0.02 0.77 0.00 0.00 0.00 0.00 175.10 176.02 1s57 s MET 155 N -0.70 0.12 -0.14 0.00 -1.94 0.74 -1.82 119.30 115.57 1s57 s MET 155 Ca 0.37 -0.20 0.00 0.00 -1.71 0.00 0.00 55.69 54.15 1s57 s MET 155 Cb -0.22 0.05 0.02 0.00 2.01 0.00 0.00 34.83 36.69 1s57 s MET 155 CO 0.25 -0.02 -0.14 0.00 -0.01 0.00 0.00 175.02 175.10 1s57 s ALA 156 N -0.52 1.79 0.08 3.03 0.00 -0.47 -0.59 121.76 125.08 1s57 s ALA 156 Ca -0.06 -0.85 0.09 0.00 0.00 0.00 0.00 51.96 51.15 1s57 s ALA 156 Cb -0.04 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.04 1s57 s ALA 156 CO -0.00 -0.34 -0.22 -1.58 0.00 0.00 0.00 175.76 173.62 1s57 s TRP 157 N 1.43 2.44 0.06 0.00 0.52 -0.54 -0.84 118.94 122.01 1s57 s TRP 157 Ca 0.03 -0.32 0.09 0.00 0.02 0.00 0.00 56.10 55.92 1s57 s TRP 157 Cb -0.13 -1.37 -0.03 0.00 -1.15 0.00 0.00 33.47 30.79 1s57 s TRP 157 CO -0.09 0.28 -0.25 -2.00 0.02 0.00 0.00 176.95 174.90 1s57 s GLU 158 N -1.71 1.64 0.00 4.98 2.12 0.70 -0.99 118.70 125.43 1s57 s GLU 158 Ca 0.15 -1.12 0.00 0.00 0.36 0.00 0.00 54.97 54.36 1s57 s GLU 158 Cb -0.10 -1.86 0.00 0.00 0.26 0.00 0.00 34.13 32.43 1s57 s GLU 158 CO 0.06 0.47 0.00 0.41 -0.54 0.00 0.00 175.26 175.66 1s57 n GLY 159 N 1.63 3.75 3.67 -1.50 0.00 -0.42 -1.57 105.19 110.75 1s57 n GLY 159 Ca -0.17 -0.65 -0.42 0.00 0.00 0.00 0.00 46.02 44.78 1s57 n GLY 159 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s57 s VAL 160 N -1.99 3.35 -0.06 1.61 0.11 -1.26 -1.73 120.40 120.43 1s57 s VAL 160 Ca 0.00 0.56 0.00 0.00 -2.93 0.00 0.00 61.98 59.61 1s57 s VAL 160 Cb 0.00 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1s57 s VAL 160 CO 0.00 -0.03 0.00 0.61 -3.33 0.00 0.00 175.10 172.35 1s57 n GLY 161 N 4.13 0.47 0.29 6.54 0.00 -1.26 -4.94 105.19 110.43 1s57 n GLY 161 Ca 0.17 -0.20 0.04 0.00 0.00 0.00 0.00 46.02 46.03 1s57 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s57 h VAL 162 N 0.00 1.10 0.46 1.61 3.04 -1.65 -1.74 116.25 119.08 1s57 h VAL 162 Ca -0.01 -0.25 -0.02 0.00 -1.01 0.00 0.00 66.70 65.41 1s57 h VAL 162 Cb 0.15 0.67 0.00 0.00 -2.01 0.00 0.00 31.29 30.10 1s57 h VAL 162 CO 0.02 0.11 -0.22 0.58 -1.01 0.00 0.00 177.57 177.04 1s57 h VAL 163 N 0.44 0.52 -0.51 1.51 2.07 -1.86 0.02 116.25 118.44 1s57 h VAL 163 Ca 0.12 -0.24 -0.07 0.00 0.82 0.00 0.00 66.70 67.32 1s57 h VAL 163 Cb 0.01 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.39 1s57 h VAL 163 CO -0.02 0.04 0.02 0.00 0.02 0.00 0.00 177.57 177.63 1s57 h ALA 164 N -0.30 1.08 -0.50 1.67 0.00 -1.86 -2.45 119.26 116.90 1s57 h ALA 164 Ca -0.06 -0.26 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1s57 h ALA 164 Cb 0.54 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 1s57 h ALA 164 CO 0.10 0.58 0.10 1.03 0.00 0.00 0.00 179.25 181.07 1s57 h SER 165 N 0.78 0.78 -0.64 0.00 0.87 -1.25 -1.78 113.55 112.31 1s57 h SER 165 Ca 0.15 -0.25 -0.07 0.00 -1.23 0.00 0.00 61.79 60.40 1s57 h SER 165 Cb 0.44 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1s57 h SER 165 CO 0.02 0.82 0.15 0.00 -0.53 0.00 0.00 176.83 177.29 1s57 h ALA 166 N 0.98 1.01 -0.66 6.23 0.00 -0.83 -0.27 119.26 125.72 1s57 h ALA 166 Ca 0.15 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1s57 h ALA 166 Cb 0.36 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 1s57 h ALA 166 CO 0.01 0.64 0.43 0.00 0.00 0.00 0.00 179.25 180.32 1s57 h ARG 167 N 1.00 0.87 -0.33 0.00 2.47 -1.20 0.33 114.38 117.51 1s57 h ARG 167 Ca 0.21 -0.06 -0.04 0.00 -1.26 0.00 0.00 59.98 58.83 1s57 h ARG 167 Cb 0.37 -0.19 -0.01 0.00 -1.65 0.00 0.00 29.97 28.48 1s57 h ARG 167 CO 0.00 0.59 0.06 -0.22 0.56 0.00 0.00 179.97 180.96 1s57 h LYS 168 N 0.89 0.55 0.00 0.04 3.64 -0.85 -2.10 116.57 118.74 1s57 h LYS 168 Ca 0.24 -0.15 -0.04 0.00 -1.27 0.00 0.00 60.65 59.44 1s57 h LYS 168 Cb -0.08 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.67 1s57 h LYS 168 CO -0.05 0.63 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.50 1s57 h LEU 169 N 0.38 0.00 -0.08 5.20 3.38 -0.67 -2.95 115.31 120.57 1s57 h LEU 169 Ca 0.10 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.82 1s57 h LEU 169 Cb 0.34 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.11 1s57 h LEU 169 CO 0.01 0.19 -0.93 0.40 0.09 0.00 0.00 178.44 178.19 1s57 h ILE 170 N 0.00 1.28 0.00 1.22 2.04 -0.66 0.30 117.51 121.69 1s57 h ILE 170 Ca -0.00 -2.14 0.00 0.00 1.00 0.00 0.00 64.86 63.72 1s57 h ILE 170 Cb 0.33 2.21 0.00 0.00 -0.74 0.00 0.00 36.82 38.62 1s57 h ILE 170 CO 0.02 0.67 0.00 0.61 0.00 0.00 0.00 178.15 179.45 1s57 n GLY 171 N 0.91 0.19 3.65 5.37 0.00 -0.81 -1.48 105.19 113.02 1s57 n GLY 171 Ca -0.09 -1.87 -0.37 0.00 0.00 0.00 0.00 46.02 43.69 1s57 n GLY 171 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1s57 n LYS 172 N 0.33 0.84 -0.29 1.61 5.02 -1.26 -4.90 118.16 119.51 1s57 n LYS 172 Ca 0.00 0.34 0.09 0.00 -2.02 0.00 0.00 58.31 56.72 1s57 n LYS 172 Cb 0.00 -2.31 0.25 0.00 -0.02 0.00 0.00 35.03 32.95 1s57 n LYS 172 CO 0.00 0.00 0.00 1.15 -0.52 0.00 0.00 177.40 178.03 1s57 h THR 173 N 0.25 0.62 -3.39 -0.18 2.02 -1.98 -3.35 112.91 106.91 1s57 h THR 173 Ca -0.49 -0.18 -0.64 0.00 0.77 0.00 0.00 66.41 65.88 1s57 h THR 173 Cb 1.35 0.06 -0.14 0.00 -1.74 0.00 0.00 68.15 67.68 1s57 h THR 173 CO 0.50 0.09 0.34 -0.62 0.37 0.00 0.00 175.52 176.20 1s57 s ASP 174 N -5.32 6.33 0.52 4.18 -1.08 -1.26 -4.50 116.67 115.53 1s57 s ASP 174 Ca -0.12 -0.40 0.31 0.00 -0.52 0.00 0.00 52.55 51.82 1s57 s ASP 174 Cb 0.23 -2.37 1.44 0.00 -1.46 0.00 0.00 42.92 40.76 1s57 s ASP 174 CO 0.78 -1.01 1.84 -0.65 0.52 0.00 0.00 175.17 176.65 1s57 h PRO 175 N 9.09 0.07 -0.02 4.34 0.11 -1.82 0.28 132.00 144.05 1s57 h PRO 175 Ca -0.26 -0.00 -0.07 0.00 0.11 0.00 0.00 66.00 65.77 1s57 h PRO 175 Cb 1.08 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.17 1s57 h PRO 175 CO 1.00 0.05 -0.34 -0.07 -0.21 0.00 0.00 178.00 178.43 1s57 h LEU 176 N 0.07 0.04 0.00 2.35 3.38 -1.79 -3.07 115.31 116.29 1s57 h LEU 176 Ca 0.51 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.38 1s57 h LEU 176 Cb 1.90 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 1s57 h LEU 176 CO -0.05 0.38 -1.55 0.00 0.09 0.00 0.00 178.44 177.30 1s57 n GLN 177 N -4.13 0.63 -1.76 1.13 1.13 0.87 -4.92 117.38 110.33 1s57 n GLN 177 Ca -0.02 0.05 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 1s57 n GLN 177 Cb 0.39 -1.70 -0.00 0.00 0.11 0.00 0.00 30.24 29.03 1s57 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s57 n ALA 178 N -2.32 2.32 -1.79 -1.58 0.00 -0.44 -4.85 120.51 111.85 1s57 n ALA 178 Ca -0.07 0.35 -0.35 0.00 0.00 0.00 0.00 53.44 53.37 1s57 n ALA 178 Cb 0.70 -2.42 -0.02 0.00 0.00 0.00 0.00 19.45 17.72 1s57 n ALA 178 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s57 s GLU 179 N -1.75 3.69 0.37 0.00 0.41 -1.26 -4.31 118.70 115.85 1s57 s GLU 179 Ca 0.56 1.48 -0.28 0.00 -0.41 0.00 0.00 54.97 56.32 1s57 s GLU 179 Cb -0.49 -2.13 -0.11 0.00 -1.78 0.00 0.00 34.13 29.63 1s57 s GLU 179 CO 0.61 -0.54 1.45 -2.14 -0.49 0.00 0.00 175.26 174.14 1s57 s PRO 180 N -3.15 4.12 0.00 0.39 0.02 -1.26 -2.13 135.00 132.99 1s57 s PRO 180 Ca 0.68 2.49 0.00 0.00 0.02 0.00 0.00 61.00 64.19 1s57 s PRO 180 Cb -0.20 -2.96 0.00 0.00 0.02 0.00 0.00 34.50 31.36 1s57 s PRO 180 CO 0.24 -0.49 0.00 0.41 -0.33 0.00 0.00 177.00 176.82 1s57 n GLY 181 N 0.53 1.82 3.94 0.52 0.00 -1.26 -4.96 105.19 105.77 1s57 n GLY 181 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 1s57 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s57 s THR 182 N -1.99 4.43 0.10 2.61 -4.23 -0.90 -4.93 115.64 110.73 1s57 s THR 182 Ca 0.00 -0.29 -0.25 0.00 -1.18 0.00 0.00 61.69 59.97 1s57 s THR 182 Cb 0.00 -3.65 -0.12 0.00 1.34 0.00 0.00 72.50 70.06 1s57 s THR 182 CO 0.00 -0.51 1.69 0.40 -0.54 0.00 0.00 174.62 175.66 1s57 h ILE 183 N 0.39 0.73 -0.36 2.99 2.04 -0.95 -0.34 117.51 122.01 1s57 h ILE 183 Ca -0.47 0.00 -0.12 0.00 1.00 0.00 0.00 64.86 65.27 1s57 h ILE 183 Cb 1.23 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 38.03 1s57 h ILE 183 CO 0.60 0.00 -0.26 0.03 0.00 0.00 0.00 178.15 178.51 1s57 h ARG 184 N -0.27 0.75 -0.07 2.37 3.08 -1.52 0.34 114.38 119.06 1s57 h ARG 184 Ca 0.01 -0.32 -0.06 0.00 0.07 0.00 0.00 59.98 59.68 1s57 h ARG 184 Cb 0.26 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.27 1s57 h ARG 184 CO -0.04 0.93 -0.25 0.78 -1.07 0.00 0.00 179.97 180.32 1s57 h GLY 185 N 0.96 0.13 0.67 0.04 0.00 -1.64 -2.26 103.07 100.97 1s57 h GLY 185 Ca 0.08 -0.09 -0.33 0.00 0.00 0.00 0.00 47.33 46.99 1s57 h GLY 185 CO 0.06 0.08 -1.94 1.22 0.00 0.00 0.00 176.54 175.96 1s57 n ASP 186 N -4.20 1.25 -0.07 0.19 8.00 -0.16 -4.54 116.55 117.02 1s57 n ASP 186 Ca -0.02 0.26 0.01 0.00 0.71 0.00 0.00 54.79 55.75 1s57 n ASP 186 Cb 0.33 -0.21 0.02 0.00 -0.02 0.00 0.00 41.12 41.23 1s57 n ASP 186 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 1s57 n LEU 187 N -3.16 2.08 -4.13 0.64 4.77 0.09 -5.07 117.00 112.22 1s57 n LEU 187 Ca -0.26 -1.98 -0.09 0.00 -0.03 0.00 0.00 56.01 53.66 1s57 n LEU 187 Cb 1.06 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 42.02 1s57 n LEU 187 CO 0.43 0.52 -0.32 0.00 -1.33 0.00 0.00 177.39 176.69 1s57 s ALA 188 N -0.98 0.74 0.00 -1.18 0.00 -0.85 -4.99 121.76 114.50 1s57 s ALA 188 Ca 0.03 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.60 1s57 s ALA 188 Cb 0.01 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.81 1s57 s ALA 188 CO 0.02 -0.45 0.00 1.33 0.00 0.00 0.00 175.76 176.66 1s57 n VAL 189 N -0.03 0.00 -3.90 0.00 0.24 -1.26 -4.52 118.33 108.86 1s57 n VAL 189 Ca -0.08 -0.21 -0.11 0.00 -2.04 0.00 0.00 64.34 61.90 1s57 n VAL 189 Cb 0.63 0.83 -0.13 0.00 -1.47 0.00 0.00 33.84 33.71 1s57 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s57 s GLN 190 N -0.67 0.15 0.22 7.34 0.74 -1.26 -4.27 119.66 121.91 1s57 s GLN 190 Ca 0.00 -0.20 -0.07 0.00 0.05 0.00 0.00 55.36 55.14 1s57 s GLN 190 Cb 0.00 0.06 0.33 0.00 1.10 0.00 0.00 33.01 34.50 1s57 s GLN 190 CO 0.00 -0.03 1.77 1.15 -0.55 0.00 0.00 175.29 177.64 1s57 h THR 191 N 4.90 0.83 0.00 -0.34 2.02 -1.93 -1.09 112.91 117.31 1s57 h THR 191 Ca -0.27 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1s57 h THR 191 Cb 1.21 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1s57 h THR 191 CO 0.46 0.11 0.00 0.61 0.37 0.00 0.00 175.52 177.06 1s57 n GLY 192 N -1.30 -1.02 2.32 2.16 0.00 -1.26 -3.07 105.19 103.02 1s57 n GLY 192 Ca 0.11 0.11 -0.22 0.00 0.00 0.00 0.00 46.02 46.02 1s57 n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s57 n ARG 193 N -2.10 1.36 -1.13 1.61 5.12 -0.43 -4.95 116.66 116.14 1s57 n ARG 193 Ca 0.01 -3.66 -0.24 0.00 -1.93 0.00 0.00 57.85 52.03 1s57 n ARG 193 Cb 0.13 -1.68 0.14 0.00 -1.16 0.00 0.00 32.46 29.89 1s57 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s57 n ASN 194 N 0.60 4.43 0.00 0.55 0.23 -1.13 -4.39 115.26 115.55 1s57 n ASN 194 Ca 0.25 -3.49 0.00 0.00 -0.53 0.00 0.00 54.58 50.81 1s57 n ASN 194 Cb 0.56 -0.84 0.00 0.00 -2.08 0.00 0.00 39.78 37.42 1s57 n ASN 194 CO 0.00 0.00 0.00 -0.38 -0.93 0.00 0.00 177.26 175.95 1s57 n ILE 195 N -0.93 0.00 -3.96 1.53 5.41 -1.26 -4.76 119.36 115.39 1s57 n ILE 195 Ca 0.55 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 64.20 1s57 n ILE 195 Cb 1.38 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 40.23 1s57 n ILE 195 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 1s57 s VAL 196 N 0.00 0.11 0.02 1.39 0.11 -1.26 -0.28 120.40 120.49 1s57 s VAL 196 Ca 0.00 -1.43 0.02 0.00 -2.93 0.00 0.00 61.98 57.64 1s57 s VAL 196 Cb 0.00 -1.68 -0.01 0.00 -1.53 0.00 0.00 36.38 33.16 1s57 s VAL 196 CO 0.00 -0.50 -0.07 -2.28 -3.33 0.00 0.00 175.10 168.92 1s57 s HIS 197 N -3.94 0.63 -0.01 1.54 2.46 0.08 -4.90 115.29 111.14 1s57 s HIS 197 Ca 0.13 -0.31 0.01 0.00 0.47 0.00 0.00 55.06 55.36 1s57 s HIS 197 Cb 0.05 -0.38 0.00 0.00 -0.13 0.00 0.00 32.58 32.12 1s57 s HIS 197 CO -0.04 -0.04 -0.01 0.20 -2.47 0.00 0.00 174.74 172.37 1s57 s GLY 198 N -0.90 0.12 0.35 1.59 0.00 -1.26 -0.95 107.32 106.27 1s57 s GLY 198 Ca -0.04 -0.03 -0.27 0.00 0.00 0.00 0.00 44.72 44.39 1s57 s GLY 198 CO 0.00 0.06 1.09 1.44 0.00 0.00 0.00 173.10 175.69 1s57 n SER 199 N 3.24 1.71 0.00 1.64 7.64 -0.73 -4.90 113.62 122.23 1s57 n SER 199 Ca -0.15 1.14 0.13 0.00 1.01 0.00 0.00 58.87 60.99 1s57 n SER 199 Cb 0.58 -1.37 0.36 0.00 -1.01 0.00 0.00 64.21 62.77 1s57 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s57 n ASP 200 N 0.83 0.35 -3.62 6.43 5.68 -1.26 -4.77 116.55 120.19 1s57 n ASP 200 Ca 0.08 -0.02 -0.10 0.00 -0.50 0.00 0.00 54.79 54.24 1s57 n ASP 200 Cb 0.36 0.02 -0.04 0.00 -1.14 0.00 0.00 41.12 40.33 1s57 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s57 s SER 201 N -3.01 -0.34 0.18 -1.12 1.04 -1.26 -4.93 113.70 104.26 1s57 s SER 201 Ca 0.12 -0.29 -0.13 0.00 0.48 0.00 0.00 55.95 56.12 1s57 s SER 201 Cb 0.18 0.55 0.14 0.00 0.10 0.00 0.00 66.02 66.99 1s57 s SER 201 CO 0.65 -0.97 1.77 1.55 0.98 0.00 0.00 173.24 177.22 1s57 h PRO 202 N 2.20 0.43 -0.37 4.02 0.13 -1.92 0.16 132.00 136.64 1s57 h PRO 202 Ca -0.32 -0.03 -0.09 0.00 -0.87 0.00 0.00 66.00 64.69 1s57 h PRO 202 Cb 1.27 -0.10 -0.02 0.00 0.13 0.00 0.00 31.00 32.29 1s57 h PRO 202 CO 0.40 0.28 -0.15 0.93 -0.23 0.00 0.00 178.00 179.24 1s57 h GLU 203 N 0.44 0.68 0.00 0.86 4.39 -1.97 -1.13 114.58 117.85 1s57 h GLU 203 Ca 0.22 -0.23 -0.05 0.00 0.34 0.00 0.00 59.36 59.65 1s57 h GLU 203 Cb 0.17 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.76 1s57 h GLU 203 CO -0.18 0.80 -0.22 -0.91 -1.16 0.00 0.00 179.01 177.34 1s57 h ASN 204 N 0.61 0.00 -0.19 1.42 2.35 -1.82 0.19 115.58 118.13 1s57 h ASN 204 Ca 0.10 0.00 -0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1s57 h ASN 204 Cb 0.60 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.97 1s57 h ASN 204 CO 0.04 0.22 -0.14 1.23 -1.65 0.00 0.00 177.43 177.13 1s57 h GLY 205 N 1.98 0.48 1.01 2.83 0.00 0.22 0.67 103.07 110.27 1s57 h GLY 205 Ca -0.00 -0.46 -0.04 0.00 0.00 0.00 0.00 47.33 46.83 1s57 h GLY 205 CO 0.03 0.42 0.28 0.50 0.00 0.00 0.00 176.54 177.76 1s57 h LYS 206 N 0.12 1.00 -0.51 4.80 1.57 -0.68 -1.40 116.57 121.47 1s57 h LYS 206 Ca 0.04 -0.18 -0.11 0.00 -1.87 0.00 0.00 60.65 58.54 1s57 h LYS 206 Cb 0.66 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.79 1s57 h LYS 206 CO 0.04 0.83 -0.10 -0.09 -0.57 0.00 0.00 179.45 179.56 1s57 h ARG 207 N 0.95 0.96 -0.23 3.15 2.43 -0.52 -2.48 114.38 118.64 1s57 h ARG 207 Ca 0.23 -0.36 -0.19 0.00 -0.81 0.00 0.00 59.98 58.85 1s57 h ARG 207 Cb 0.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 1s57 h ARG 207 CO -0.02 1.03 -0.62 0.93 -1.51 0.00 0.00 179.97 179.78 1s57 h GLU 208 N 0.83 0.79 -0.46 0.20 5.08 -0.74 -2.30 114.58 117.98 1s57 h GLU 208 Ca 0.13 -0.54 -0.04 0.00 -1.00 0.00 0.00 59.36 57.91 1s57 h GLU 208 Cb 0.65 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1s57 h GLU 208 CO 0.05 1.17 0.12 0.82 -1.00 0.00 0.00 179.01 180.16 1s57 h ILE 209 N 0.58 1.20 0.00 3.13 2.04 -1.27 -0.72 117.51 122.47 1s57 h ILE 209 Ca -0.01 -0.69 -0.10 0.00 1.00 0.00 0.00 64.86 65.06 1s57 h ILE 209 Cb 1.22 0.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.00 1s57 h ILE 209 CO 0.13 0.26 -0.48 1.23 0.00 0.00 0.00 178.15 179.29 1s57 h GLY 210 N 0.87 0.00 0.96 5.37 0.00 -1.25 -1.35 103.07 107.67 1s57 h GLY 210 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 47.17 1s57 h GLY 210 CO -0.01 0.00 -1.48 1.41 0.00 0.00 0.00 176.54 176.46 1s57 h LEU 211 N 0.00 0.65 0.07 3.11 4.07 -0.82 -3.39 115.31 119.00 1s57 h LEU 211 Ca -0.00 -0.92 -0.29 0.00 0.08 0.00 0.00 57.88 56.74 1s57 h LEU 211 Cb 0.88 -0.21 -0.02 0.00 1.08 0.00 0.00 40.66 42.39 1s57 h LEU 211 CO 0.06 1.69 -1.53 -0.50 -1.08 0.00 0.00 178.44 177.08 1s57 h TRP 212 N -0.00 0.29 -2.29 1.13 4.06 -1.19 -3.47 115.95 114.47 1s57 h TRP 212 Ca -0.28 -0.21 -0.50 0.00 2.06 0.00 0.00 58.89 59.96 1s57 h TRP 212 Cb 2.02 -0.01 -0.03 0.00 -1.00 0.00 0.00 29.16 30.13 1s57 h TRP 212 CO 0.13 1.27 -0.49 -0.06 -3.56 0.00 0.00 178.44 175.73 1s57 s PHE 213 N -2.62 3.28 0.63 0.49 0.40 -0.51 -5.09 117.98 114.55 1s57 s PHE 213 Ca -0.08 -0.04 0.03 0.00 -0.60 0.00 0.00 56.93 56.24 1s57 s PHE 213 Cb 0.08 -1.50 0.12 0.00 0.51 0.00 0.00 43.02 42.22 1s57 s PHE 213 CO 0.84 0.49 0.86 1.63 0.70 0.00 0.00 175.22 179.74 1s57 n LYS 214 N -1.11 0.20 0.00 0.44 5.02 -1.26 -4.68 118.16 116.76 1s57 n LYS 214 Ca -0.08 -2.68 0.00 0.00 -2.02 0.00 0.00 58.31 53.53 1s57 n LYS 214 Cb 0.57 -0.47 0.00 0.00 -0.02 0.00 0.00 35.03 35.11 1s57 n LYS 214 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1s57 n GLU 215 N -2.52 0.00 -0.02 1.97 -0.58 -1.26 -3.09 120.64 115.14 1s57 n GLU 215 Ca 0.15 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.89 1s57 n GLU 215 Cb 0.55 -0.42 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 1s57 n GLU 215 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1s57 n GLY 216 N 0.00 2.04 0.12 0.62 0.00 -1.26 -3.79 105.19 102.93 1s57 n GLY 216 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1s57 n GLY 216 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1s57 h GLU 217 N 0.03 0.00 -6.86 1.61 4.81 -1.94 -3.44 114.58 108.79 1s57 h GLU 217 Ca 0.01 0.00 -0.47 0.00 -0.13 0.00 0.00 59.36 58.77 1s57 h GLU 217 Cb 1.03 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 1s57 h GLU 217 CO 0.02 0.63 0.29 -0.51 -0.73 0.00 0.00 179.01 178.70 1s57 s LEU 218 N -6.52 4.24 -0.22 1.64 1.43 -1.25 -4.75 118.68 113.26 1s57 s LEU 218 Ca 0.03 1.69 0.02 0.00 -1.03 0.00 0.00 54.13 54.84 1s57 s LEU 218 Cb 0.08 -4.06 0.04 0.00 0.03 0.00 0.00 46.19 42.28 1s57 s LEU 218 CO 0.76 -0.12 -0.15 0.00 0.23 0.00 0.00 176.35 177.07 1s57 s LYS 220 N 1.21 4.18 0.18 0.00 -0.14 -1.26 -4.54 119.74 119.37 1s57 s LYS 220 Ca -0.01 0.46 -0.15 0.00 -1.36 0.00 0.00 55.97 54.92 1s57 s LYS 220 Cb -0.16 -3.34 0.02 0.00 -1.68 0.00 0.00 37.83 32.66 1s57 s LYS 220 CO -0.09 0.40 0.44 1.67 -0.76 0.00 0.00 175.35 177.00 1s57 s TRP 221 N -0.16 0.06 -0.21 3.18 1.48 -1.26 -5.15 118.94 116.88 1s57 s TRP 221 Ca 0.25 -0.41 -0.04 0.00 -1.06 0.00 0.00 56.10 54.84 1s57 s TRP 221 Cb -0.16 0.24 -0.02 0.00 -1.16 0.00 0.00 33.47 32.37 1s57 s TRP 221 CO 0.12 -0.85 -0.02 -0.51 -4.06 0.00 0.00 176.95 171.63 1s57 s ASP 222 N -2.90 4.54 0.14 -2.66 1.01 -1.26 -5.08 116.67 110.45 1s57 s ASP 222 Ca 0.12 -0.30 -0.30 0.00 0.71 0.00 0.00 52.55 52.77 1s57 s ASP 222 Cb 0.01 -1.78 -0.07 0.00 1.01 0.00 0.00 42.92 42.09 1s57 s ASP 222 CO -0.02 0.02 1.17 -0.55 0.21 0.00 0.00 175.17 176.00 1s57 s SER 223 N 1.25 7.14 0.46 0.27 0.15 -1.26 -4.93 113.70 116.77 1s57 s SER 223 Ca 0.03 2.11 0.17 0.00 0.70 0.00 0.00 55.95 58.96 1s57 s SER 223 Cb -0.14 -2.60 1.08 0.00 -1.71 0.00 0.00 66.02 62.65 1s57 s SER 223 CO -0.00 -0.36 2.00 0.00 1.20 0.00 0.00 173.24 176.08 1s57 h ALA 224 N 5.77 1.62 -0.19 5.45 0.00 -2.06 -2.15 119.26 127.70 1s57 h ALA 224 Ca -0.43 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.32 1s57 h ALA 224 Cb 1.21 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.98 1s57 h ALA 224 CO 0.76 0.22 0.00 1.28 0.00 0.00 0.00 179.25 181.51 1s57 n LEU 225 N -4.20 1.91 -0.29 0.00 4.77 -1.26 -4.51 117.00 113.42 1s57 n LEU 225 Ca -0.02 -0.80 0.09 0.00 -0.03 0.00 0.00 56.01 55.24 1s57 n LEU 225 Cb 0.25 -0.12 0.21 0.00 -2.33 0.00 0.00 43.42 41.42 1s57 n LEU 225 CO 0.35 0.40 0.84 0.00 -1.33 0.00 0.00 177.39 177.65 1s57 h ALA 226 N 4.11 0.96 0.00 -1.18 0.00 -1.78 0.30 119.26 121.67 1s57 h ALA 226 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1s57 h ALA 226 Cb 0.55 0.45 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1s57 h ALA 226 CO 0.00 -0.46 0.00 1.15 0.00 0.00 0.00 179.25 179.94 1s57 h THR 227 N 0.10 0.00 -0.19 0.00 2.02 -1.79 -2.37 112.91 110.68 1s57 h THR 227 Ca 0.48 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.46 1s57 h THR 227 Cb 0.91 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 68.30 1s57 h THR 227 CO -0.73 0.00 0.00 0.79 0.37 0.00 0.00 175.52 175.95 1s57 n TRP 228 N -2.59 0.23 -0.00 3.16 7.02 0.10 -4.28 117.44 121.08 1s57 n TRP 228 Ca 0.00 -0.13 0.02 0.00 -1.02 0.00 0.00 57.50 56.37 1s57 n TRP 228 Cb 0.17 -0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.02 1s57 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s57 n LEU 229 N 1.28 0.00 -3.73 -0.99 4.77 -0.95 -5.00 117.00 112.39 1s57 n LEU 229 Ca 0.15 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 56.01 1s57 n LEU 229 Cb 0.55 0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.52 1s57 n LEU 229 CO 0.14 0.01 -0.12 -0.60 -1.33 0.00 0.00 177.39 175.48 1s57 s ARG 230 N -2.34 0.20 0.00 3.23 3.52 -0.94 -5.12 118.95 117.51 1s57 s ARG 230 Ca -0.02 0.53 0.27 0.00 -0.13 0.00 0.00 55.73 56.38 1s57 s ARG 230 Cb 0.03 -0.12 1.60 0.00 -1.56 0.00 0.00 34.95 34.90 1s57 s ARG 230 CO 0.21 -0.17 1.95 -0.85 -0.81 0.00 0.00 175.30 175.63