#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s59 n MET 80 N 0.00 3.60 -5.29 -1.46 0.00 -1.26 -4.96 117.12 107.74 1s59 n MET 80 Ca 0.00 -4.03 -0.31 0.00 0.00 0.00 0.00 57.70 53.36 1s59 n MET 80 Cb 0.00 -2.83 -0.16 0.00 0.00 0.00 0.00 33.22 30.23 1s59 n MET 80 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 175.97 174.76 1s59 s GLU 81 N 0.08 2.28 -0.06 0.03 2.02 -1.26 -5.10 118.70 116.69 1s59 s GLU 81 Ca 0.38 -0.92 -0.28 0.00 0.02 0.00 0.00 54.97 54.16 1s59 s GLU 81 Cb -0.01 -2.08 -0.02 0.00 0.10 0.00 0.00 34.13 32.11 1s59 s GLU 81 CO -0.01 0.49 0.93 0.16 0.02 0.00 0.00 175.26 176.86 1s59 s ASP 82 N -0.44 7.24 -0.25 -0.19 -4.77 -1.26 -4.99 116.67 112.01 1s59 s ASP 82 Ca 0.05 1.50 -0.21 0.00 -3.30 0.00 0.00 52.55 50.59 1s59 s ASP 82 Cb -0.11 -2.53 -0.02 0.00 -1.09 0.00 0.00 42.92 39.17 1s59 s ASP 82 CO 0.01 -0.31 0.64 -0.69 0.70 0.00 0.00 175.17 175.52 1s59 s VAL 83 N 1.39 4.98 0.45 2.11 1.01 -1.26 -4.35 120.40 124.72 1s59 s VAL 83 Ca 0.47 1.16 0.08 0.00 0.00 0.00 0.00 61.98 63.69 1s59 s VAL 83 Cb -0.19 -3.95 -0.00 0.00 0.00 0.00 0.00 36.38 32.24 1s59 s VAL 83 CO 0.22 0.03 0.43 -1.83 0.00 0.00 0.00 175.10 173.95 1s59 s GLU 84 N 2.48 2.51 0.09 2.72 -1.05 -0.58 -4.85 118.70 120.01 1s59 s GLU 84 Ca 0.27 -1.58 0.08 0.00 -0.15 0.00 0.00 54.97 53.59 1s59 s GLU 84 Cb -0.15 -2.40 -0.03 0.00 -0.44 0.00 0.00 34.13 31.10 1s59 s GLU 84 CO 0.08 -0.31 -0.20 -1.21 0.95 0.00 0.00 175.26 174.57 1s59 s GLU 85 N -4.22 1.15 0.02 -4.83 2.02 -1.26 -1.71 118.70 109.88 1s59 s GLU 85 Ca 0.48 -1.10 0.02 0.00 0.02 0.00 0.00 54.97 54.39 1s59 s GLU 85 Cb -0.04 -1.37 -0.02 0.00 0.10 0.00 0.00 34.13 32.81 1s59 s GLU 85 CO 0.28 0.32 -0.08 -0.08 0.02 0.00 0.00 175.26 175.73 1s59 s THR 86 N -1.09 0.60 -0.28 3.63 -1.32 -0.31 -4.31 115.64 112.56 1s59 s THR 86 Ca 0.06 -0.76 -0.17 0.00 -1.21 0.00 0.00 61.69 59.61 1s59 s THR 86 Cb -0.10 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.28 1s59 s THR 86 CO 0.04 -0.13 0.47 -0.47 -2.21 0.00 0.00 174.62 172.32 1s59 s TYR 87 N -0.83 3.25 -0.12 9.09 5.04 -1.26 -1.45 117.35 131.07 1s59 s TYR 87 Ca -0.04 0.49 0.03 0.00 -2.44 0.00 0.00 57.07 55.12 1s59 s TYR 87 Cb -0.07 -2.71 0.01 0.00 0.35 0.00 0.00 41.96 39.54 1s59 s TYR 87 CO 0.00 -0.31 -0.22 0.42 -1.34 0.00 0.00 175.55 174.10 1s59 s ILE 88 N 2.25 2.01 -0.01 3.14 1.01 -0.51 -2.18 121.20 126.90 1s59 s ILE 88 Ca 0.19 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.92 1s59 s ILE 88 Cb -0.16 -1.76 -0.01 0.00 0.01 0.00 0.00 42.46 40.54 1s59 s ILE 88 CO 0.10 0.54 -0.16 -0.32 0.00 0.00 0.00 174.94 175.10 1s59 s MET 89 N 0.63 1.30 -0.38 2.79 -2.45 -0.51 -0.06 119.30 120.63 1s59 s MET 89 Ca -0.12 -0.57 -0.19 0.00 -1.25 0.00 0.00 55.69 53.56 1s59 s MET 89 Cb -0.16 -1.26 0.01 0.00 1.25 0.00 0.00 34.83 34.67 1s59 s MET 89 CO 0.03 0.34 0.54 0.08 1.05 0.00 0.00 175.02 177.06 1s59 s VAL 90 N -0.36 4.97 1.07 10.11 1.01 -0.20 -0.59 120.40 136.40 1s59 s VAL 90 Ca 0.06 0.20 -0.12 0.00 0.00 0.00 0.00 61.98 62.12 1s59 s VAL 90 Cb -0.06 -4.04 0.23 0.00 0.00 0.00 0.00 36.38 32.50 1s59 s VAL 90 CO -0.01 -0.35 1.06 -0.54 0.00 0.00 0.00 175.10 175.27 1s59 s LYS 91 N 2.49 -0.15 0.37 2.72 1.02 -0.96 -1.59 119.74 123.64 1s59 s LYS 91 Ca 0.19 0.87 0.15 0.00 0.02 0.00 0.00 55.97 57.20 1s59 s LYS 91 Cb -0.15 -1.64 1.00 0.00 -0.52 0.00 0.00 37.83 36.52 1s59 s LYS 91 CO 0.15 -3.21 1.78 -1.35 -0.92 0.00 0.00 175.35 171.80 1s59 h PRO 92 N -2.26 0.48 0.00 -1.68 0.11 -1.83 -0.74 132.00 126.08 1s59 h PRO 92 Ca -0.56 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.41 1s59 h PRO 92 Cb 1.32 -0.11 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1s59 h PRO 92 CO 0.51 0.32 -0.52 0.38 -0.21 0.00 0.00 178.00 178.48 1s59 h ASP 93 N 0.49 0.00 -0.38 -2.05 2.03 -1.90 -2.29 116.42 112.32 1s59 h ASP 93 Ca 0.57 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 1s59 h ASP 93 Cb 1.29 0.00 -0.02 0.00 -0.83 0.00 0.00 39.33 39.77 1s59 h ASP 93 CO -0.31 0.52 0.24 1.23 -1.03 0.00 0.00 179.24 179.89 1s59 h GLY 94 N 1.73 0.55 0.95 7.15 0.00 -1.32 -0.74 103.07 111.38 1s59 h GLY 94 Ca -0.01 -0.22 -0.03 0.00 0.00 0.00 0.00 47.33 47.08 1s59 h GLY 94 CO 0.07 0.21 -0.25 -2.22 0.00 0.00 0.00 176.54 174.35 1s59 h ILE 95 N 0.51 0.48 -1.07 2.60 5.03 -1.47 -1.42 117.51 122.17 1s59 h ILE 95 Ca 0.14 -0.10 0.29 0.00 -0.12 0.00 0.00 64.86 65.07 1s59 h ILE 95 Cb -0.02 0.52 -0.11 0.00 -3.03 0.00 0.00 36.82 34.18 1s59 h ILE 95 CO -0.03 0.02 0.67 1.56 -0.68 0.00 0.00 178.15 179.69 1s59 h GLN 96 N -0.76 0.37 -0.63 2.37 1.08 -1.21 0.12 115.11 116.44 1s59 h GLN 96 Ca -0.07 -0.02 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1s59 h GLN 96 Cb 0.57 -0.08 0.00 0.00 -0.05 0.00 0.00 27.48 27.91 1s59 h GLN 96 CO 0.12 0.25 0.00 0.54 -0.95 0.00 0.00 178.83 178.78 1s59 n ARG 97 N -4.71 3.14 -3.92 1.46 1.74 -0.30 -4.94 116.66 109.13 1s59 n ARG 97 Ca 0.27 -2.09 -0.29 0.00 -0.77 0.00 0.00 57.85 54.97 1s59 n ARG 97 Cb 0.93 -1.79 0.02 0.00 -1.02 0.00 0.00 32.46 30.60 1s59 n ARG 97 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1s59 n GLY 98 N 0.80 -0.43 0.76 -0.13 0.00 0.40 -4.87 105.19 101.73 1s59 n GLY 98 Ca 0.19 0.17 0.07 0.00 0.00 0.00 0.00 46.02 46.44 1s59 n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s59 n LEU 99 N -4.55 3.12 0.26 0.99 4.77 -0.58 -4.64 117.00 116.37 1s59 n LEU 99 Ca -0.05 -2.03 -0.16 0.00 -0.03 0.00 0.00 56.01 53.74 1s59 n LEU 99 Cb 0.56 -0.28 -0.08 0.00 -2.33 0.00 0.00 43.42 41.29 1s59 n LEU 99 CO 0.76 0.77 0.73 0.58 -1.33 0.00 0.00 177.39 178.89 1s59 h VAL 100 N 2.36 0.57 0.41 4.08 2.07 -1.89 -2.28 116.25 121.57 1s59 h VAL 100 Ca 0.00 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 1s59 h VAL 100 Cb 0.80 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.11 1s59 h VAL 100 CO 0.01 0.00 -0.43 1.23 0.02 0.00 0.00 177.57 178.40 1s59 h GLY 101 N -0.60 -1.02 -0.47 2.17 0.00 -1.97 -1.52 103.07 99.66 1s59 h GLY 101 Ca -0.06 0.49 0.15 0.00 0.00 0.00 0.00 47.33 47.91 1s59 h GLY 101 CO 0.10 -0.33 -0.16 -2.09 0.00 0.00 0.00 176.54 174.05 1s59 h GLU 102 N -0.86 0.01 -0.19 4.80 4.81 -1.85 0.98 114.58 122.28 1s59 h GLU 102 Ca -0.04 -0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.20 1s59 h GLU 102 Cb 0.77 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 1s59 h GLU 102 CO -0.07 0.01 0.11 0.82 -0.73 0.00 0.00 179.01 179.14 1s59 h ILE 103 N 0.01 1.03 -0.66 2.32 2.04 -1.14 -2.11 117.51 118.99 1s59 h ILE 103 Ca 0.36 -0.08 0.04 0.00 1.00 0.00 0.00 64.86 66.19 1s59 h ILE 103 Cb 0.56 0.78 -0.05 0.00 -0.74 0.00 0.00 36.82 37.37 1s59 h ILE 103 CO -0.75 0.04 0.39 0.40 0.00 0.00 0.00 178.15 178.23 1s59 h ILE 104 N 0.23 1.03 0.00 -0.67 2.04 0.08 -2.16 117.51 118.06 1s59 h ILE 104 Ca 0.07 -0.26 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 1s59 h ILE 104 Cb -0.01 0.22 -0.00 0.00 -0.74 0.00 0.00 36.82 36.28 1s59 h ILE 104 CO -0.03 0.14 -0.13 0.28 0.00 0.00 0.00 178.15 178.40 1s59 h SER 105 N 0.75 0.00 -0.23 1.72 0.02 -0.51 -0.81 113.55 114.49 1s59 h SER 105 Ca 0.28 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.22 1s59 h SER 105 Cb 0.10 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 1s59 h SER 105 CO -0.14 0.13 0.10 0.03 -1.14 0.00 0.00 176.83 175.82 1s59 h ARG 106 N 0.00 0.33 -0.08 3.45 3.08 -0.72 0.88 114.38 121.32 1s59 h ARG 106 Ca -0.00 -0.05 -0.20 0.00 0.07 0.00 0.00 59.98 59.80 1s59 h ARG 106 Cb 0.26 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 1s59 h ARG 106 CO 0.02 0.35 -0.77 0.74 -1.07 0.00 0.00 179.97 179.24 1s59 h PHE 107 N 0.23 0.67 -0.22 3.04 0.04 -1.48 -0.86 116.94 118.36 1s59 h PHE 107 Ca 0.08 -0.31 0.00 0.00 2.80 0.00 0.00 57.97 60.54 1s59 h PHE 107 Cb 0.14 -0.10 -0.01 0.00 2.20 0.00 0.00 35.95 38.18 1s59 h PHE 107 CO -0.02 1.09 0.14 0.93 -0.60 0.00 0.00 178.31 179.85 1s59 h GLU 108 N 0.33 0.29 0.00 1.51 5.08 -0.98 -2.19 114.58 118.62 1s59 h GLU 108 Ca -0.04 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.20 1s59 h GLU 108 Cb 1.37 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.54 1s59 h GLU 108 CO 0.14 0.21 -0.47 0.87 -1.00 0.00 0.00 179.01 178.76 1s59 h LYS 109 N 0.29 0.00 -0.68 2.33 1.57 -0.81 -2.65 116.57 116.61 1s59 h LYS 109 Ca 0.08 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.90 1s59 h LYS 109 Cb -0.01 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.26 1s59 h LYS 109 CO -0.02 0.47 0.45 -0.22 -0.57 0.00 0.00 179.45 179.56 1s59 h LYS 110 N 0.00 0.76 0.00 3.15 1.63 -0.53 -3.46 116.57 118.12 1s59 h LYS 110 Ca -0.00 -0.05 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 1s59 h LYS 110 Cb 0.88 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 32.33 1s59 h LYS 110 CO 0.06 0.51 0.00 0.41 -3.45 0.00 0.00 179.45 176.98 1s59 n GLY 111 N -1.45 1.09 3.89 5.01 0.00 -0.99 -5.09 105.19 107.65 1s59 n GLY 111 Ca 0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 1s59 n GLY 111 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1s59 s PHE 112 N -2.00 3.24 -0.16 1.61 0.08 -1.10 -5.04 117.98 114.61 1s59 s PHE 112 Ca 0.00 0.99 -0.07 0.00 0.12 0.00 0.00 56.93 57.97 1s59 s PHE 112 Cb 0.00 -3.16 -0.04 0.00 -0.57 0.00 0.00 43.02 39.25 1s59 s PHE 112 CO 0.00 -1.31 0.07 0.21 -0.10 0.00 0.00 175.22 174.09 1s59 s LYS 113 N -5.40 3.82 -0.30 0.44 2.20 -0.73 -4.67 119.74 115.09 1s59 s LYS 113 Ca 0.59 -0.32 -0.19 0.00 -0.36 0.00 0.00 55.97 55.69 1s59 s LYS 113 Cb -0.11 -3.18 -0.01 0.00 -1.51 0.00 0.00 37.83 33.02 1s59 s LYS 113 CO 0.51 0.39 0.57 -1.17 -0.36 0.00 0.00 175.35 175.28 1s59 s LEU 114 N 0.05 4.15 0.00 5.43 2.96 -1.26 -0.52 118.68 129.49 1s59 s LEU 114 Ca 0.06 0.36 0.00 0.00 -0.22 0.00 0.00 54.13 54.33 1s59 s LEU 114 Cb -0.12 -2.71 -0.00 0.00 0.50 0.00 0.00 46.19 43.85 1s59 s LEU 114 CO 0.01 -0.41 0.22 2.30 -1.32 0.00 0.00 176.35 177.14 1s59 n ILE 115 N 5.32 0.00 -3.70 6.68 -5.35 -0.14 -4.93 119.36 117.24 1s59 n ILE 115 Ca -0.03 -0.50 -0.12 0.00 -0.27 0.00 0.00 62.75 61.84 1s59 n ILE 115 Cb 0.49 1.00 -0.12 0.00 -1.74 0.00 0.00 39.64 39.27 1s59 n ILE 115 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s59 s GLY 116 N -0.59 -0.21 -0.26 3.28 0.00 -0.86 0.14 107.32 108.81 1s59 s GLY 116 Ca 0.00 1.19 -0.14 0.00 0.00 0.00 0.00 44.72 45.77 1s59 s GLY 116 CO 0.00 1.57 0.64 -2.27 0.00 0.00 0.00 173.10 173.04 1s59 s LEU 117 N 1.55 -0.85 -0.28 0.66 2.96 -1.26 0.10 118.68 121.56 1s59 s LEU 117 Ca -0.07 1.42 -0.21 0.00 -0.22 0.00 0.00 54.13 55.04 1s59 s LEU 117 Cb -0.10 2.20 0.12 0.00 0.50 0.00 0.00 46.19 48.91 1s59 s LEU 117 CO -0.10 -0.23 0.97 -1.59 -1.32 0.00 0.00 176.35 174.07 1s59 s LYS 118 N 1.81 0.50 0.25 1.98 -2.85 -0.73 -4.99 119.74 115.72 1s59 s LYS 118 Ca -0.09 0.70 -0.30 0.00 -1.00 0.00 0.00 55.97 55.28 1s59 s LYS 118 Cb -0.07 0.19 -0.09 0.00 -2.06 0.00 0.00 37.83 35.81 1s59 s LYS 118 CO -0.19 -0.08 1.08 1.41 0.10 0.00 0.00 175.35 177.68 1s59 s MET 119 N 0.70 4.66 -0.14 1.78 -2.45 -1.26 -0.89 119.30 121.70 1s59 s MET 119 Ca -0.02 1.75 -0.15 0.00 -1.25 0.00 0.00 55.69 56.02 1s59 s MET 119 Cb -0.05 -3.22 0.04 0.00 1.25 0.00 0.00 34.83 32.86 1s59 s MET 119 CO -0.10 0.23 0.42 0.12 1.05 0.00 0.00 175.02 176.74 1s59 s PHE 120 N -0.99 -0.44 -0.53 4.11 5.36 0.48 -4.93 117.98 121.04 1s59 s PHE 120 Ca 0.45 1.05 -0.13 0.00 -0.96 0.00 0.00 56.93 57.33 1s59 s PHE 120 Cb -0.31 0.16 0.13 0.00 -0.34 0.00 0.00 43.02 42.66 1s59 s PHE 120 CO 0.39 -0.25 0.46 -1.14 -1.46 0.00 0.00 175.22 173.22 1s59 s GLN 121 N 0.04 2.83 0.07 10.12 2.00 -1.26 -0.76 119.66 132.69 1s59 s GLN 121 Ca -0.02 -1.79 -0.31 0.00 -2.00 0.00 0.00 55.36 51.25 1s59 s GLN 121 Cb -0.03 -4.16 -0.07 0.00 0.80 0.00 0.00 33.01 29.54 1s59 s GLN 121 CO 0.01 -1.28 1.45 0.00 -0.50 0.00 0.00 175.29 174.98 1s59 s PRO 123 N 1.79 4.51 0.28 0.00 0.02 -1.26 -4.68 135.00 135.66 1s59 s PRO 123 Ca 0.66 1.51 0.01 0.00 0.02 0.00 0.00 61.00 63.20 1s59 s PRO 123 Cb -0.36 -2.88 0.67 0.00 0.02 0.00 0.00 34.50 31.95 1s59 s PRO 123 CO 0.29 0.17 1.64 0.87 -0.33 0.00 0.00 177.00 179.65 1s59 h LYS 124 N 3.25 0.18 -0.98 5.54 1.57 -1.95 0.13 116.57 124.32 1s59 h LYS 124 Ca -0.47 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1s59 h LYS 124 Cb 1.20 -0.04 -0.07 0.00 0.08 0.00 0.00 32.23 33.41 1s59 h LYS 124 CO 0.65 0.12 0.63 1.49 -0.57 0.00 0.00 179.45 181.77 1s59 h GLU 125 N 0.19 1.12 -0.05 3.15 4.81 -2.00 -0.98 114.58 120.82 1s59 h GLU 125 Ca 0.53 -0.07 -0.20 0.00 -0.13 0.00 0.00 59.36 59.50 1s59 h GLU 125 Cb 1.06 -0.25 -0.00 0.00 0.63 0.00 0.00 28.75 30.18 1s59 h GLU 125 CO -0.66 0.74 -0.80 1.25 -0.73 0.00 0.00 179.01 178.81 1s59 h LEU 126 N 1.15 0.51 -1.11 1.64 5.85 -1.16 -2.76 115.31 119.43 1s59 h LEU 126 Ca 0.42 -0.36 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1s59 h LEU 126 Cb 0.15 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1s59 h LEU 126 CO -0.17 1.13 -0.42 0.00 -0.34 0.00 0.00 178.44 178.64 1s59 h ALA 127 N 0.86 1.18 0.16 1.25 0.00 -0.74 -2.61 119.26 119.36 1s59 h ALA 127 Ca -0.05 -0.38 -0.29 0.00 0.00 0.00 0.00 54.91 54.19 1s59 h ALA 127 Cb 1.40 -0.07 0.02 0.00 0.00 0.00 0.00 17.79 19.15 1s59 h ALA 127 CO 0.14 0.52 -1.29 0.93 0.00 0.00 0.00 179.25 179.55 1s59 h GLU 128 N 0.00 0.43 0.00 0.00 5.08 -1.17 -2.23 114.58 116.69 1s59 h GLU 128 Ca -0.00 -0.67 0.00 0.00 -1.00 0.00 0.00 59.36 57.68 1s59 h GLU 128 Cb 0.80 0.24 0.00 0.00 0.50 0.00 0.00 28.75 30.29 1s59 h GLU 128 CO 0.05 1.31 0.00 1.49 -1.00 0.00 0.00 179.01 180.86 1s59 h GLU 129 N 0.14 0.00 0.00 2.33 4.57 -1.45 0.17 114.58 120.34 1s59 h GLU 129 Ca -0.18 0.00 -0.27 0.00 -1.18 0.00 0.00 59.36 57.73 1s59 h GLU 129 Cb 1.99 0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 30.54 1s59 h GLU 129 CO 0.23 0.00 -1.53 1.25 -1.18 0.00 0.00 179.01 177.78 1s59 h HIS 130 N 0.00 0.00 -0.14 0.92 2.76 -1.39 -3.35 115.15 113.95 1s59 h HIS 130 Ca 0.00 0.00 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 1s59 h HIS 130 Cb 0.51 0.00 -0.04 0.00 1.55 0.00 0.00 27.41 29.44 1s59 h HIS 130 CO 0.00 0.99 -0.22 0.66 -1.30 0.00 0.00 177.93 178.06 1s59 n TYR 131 N -3.11 0.45 -0.25 5.26 4.01 -0.85 -4.78 117.16 117.89 1s59 n TYR 131 Ca -0.13 -1.38 0.19 0.00 -0.16 0.00 0.00 57.90 56.42 1s59 n TYR 131 Cb 1.02 -0.32 0.50 0.00 -0.31 0.00 0.00 39.34 40.24 1s59 n TYR 131 CO 0.00 0.00 0.00 1.57 -0.46 0.00 0.00 176.86 177.97 1s59 h LYS 132 N 0.90 0.41 0.00 -0.72 2.10 -0.81 -0.12 116.57 118.32 1s59 h LYS 132 Ca 0.07 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.70 1s59 h LYS 132 Cb 1.26 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 1s59 h LYS 132 CO 0.15 0.27 0.00 -0.25 -2.00 0.00 0.00 179.45 177.62 1s59 n ASP 133 N -4.52 0.00 -0.06 7.07 10.43 -1.26 -2.13 116.55 126.08 1s59 n ASP 133 Ca 0.19 0.24 0.01 0.00 2.57 0.00 0.00 54.79 57.80 1s59 n ASP 133 Cb 0.69 -0.36 0.00 0.00 1.84 0.00 0.00 41.12 43.29 1s59 n ASP 133 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 1s59 n LEU 134 N -1.36 0.96 -0.50 0.64 4.77 -0.08 -4.74 117.00 116.70 1s59 n LEU 134 Ca 0.05 -0.91 0.43 0.00 -0.03 0.00 0.00 56.01 55.55 1s59 n LEU 134 Cb 0.12 0.00 0.77 0.00 -2.33 0.00 0.00 43.42 41.98 1s59 n LEU 134 CO 0.11 0.22 1.39 0.77 -1.33 0.00 0.00 177.39 178.55 1s59 h SER 135 N 0.30 0.03 0.70 -1.43 4.64 -1.20 0.61 113.55 117.20 1s59 h SER 135 Ca 0.00 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.33 1s59 h SER 135 Cb 0.07 0.01 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1s59 h SER 135 CO 0.00 -0.01 -0.31 0.00 -0.87 0.00 0.00 176.83 175.64 1s59 n ALA 136 N -2.81 3.08 -1.20 5.18 0.00 -1.26 -4.88 120.51 118.62 1s59 n ALA 136 Ca 0.34 -0.25 -0.30 0.00 0.00 0.00 0.00 53.44 53.23 1s59 n ALA 136 Cb 1.58 -1.25 0.12 0.00 0.00 0.00 0.00 19.45 19.90 1s59 n ALA 136 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1s59 s LYS 137 N -3.00 1.58 0.38 0.00 -0.14 0.21 -4.95 119.74 113.81 1s59 s LYS 137 Ca 0.12 0.97 0.23 0.00 -1.36 0.00 0.00 55.97 55.93 1s59 s LYS 137 Cb 0.18 -1.83 0.26 0.00 -1.68 0.00 0.00 37.83 34.76 1s59 s LYS 137 CO 0.64 -2.06 1.48 0.66 -0.76 0.00 0.00 175.35 175.30 1s59 h SER 138 N -1.42 0.00 0.42 2.83 4.64 -1.91 -3.24 113.55 114.87 1s59 h SER 138 Ca -0.47 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 1s59 h SER 138 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 1s59 h SER 138 CO 0.53 0.00 -0.78 2.22 -0.87 0.00 0.00 176.83 177.93 1s59 n PHE 139 N -2.99 0.14 -0.09 4.77 1.16 -1.26 -4.43 117.46 114.76 1s59 n PHE 139 Ca 0.03 0.04 -0.10 0.00 -1.87 0.00 0.00 57.45 55.55 1s59 n PHE 139 Cb 0.53 -0.31 -0.04 0.00 -1.61 0.00 0.00 39.48 38.05 1s59 n PHE 139 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 1s59 h PHE 140 N 0.00 -1.13 -0.53 2.97 3.57 -1.79 0.74 116.94 120.77 1s59 h PHE 140 Ca 0.00 0.06 0.10 0.00 3.53 0.00 0.00 57.97 61.65 1s59 h PHE 140 Cb 0.60 0.54 -0.11 0.00 2.79 0.00 0.00 35.95 39.78 1s59 h PHE 140 CO 0.00 -0.43 -0.34 -1.35 -2.23 0.00 0.00 178.31 173.95 1s59 h PRO 141 N -0.35 -0.19 -0.15 6.41 0.11 -1.81 0.21 132.00 136.23 1s59 h PRO 141 Ca 0.13 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.25 1s59 h PRO 141 Cb 0.58 0.04 -0.01 0.00 0.11 0.00 0.00 31.00 31.73 1s59 h PRO 141 CO -0.51 -0.13 0.10 -0.91 -0.21 0.00 0.00 178.00 176.34 1s59 h ASN 142 N -0.20 0.16 -0.43 -2.05 2.35 -1.73 -2.34 115.58 111.36 1s59 h ASN 142 Ca 0.21 -0.00 0.08 0.00 -0.55 0.00 0.00 56.30 56.03 1s59 h ASN 142 Cb 0.55 -0.04 -0.09 0.00 0.05 0.00 0.00 38.32 38.79 1s59 h ASN 142 CO -0.64 0.12 -0.37 0.25 -1.65 0.00 0.00 177.43 175.14 1s59 h LEU 143 N 0.20 -1.23 -0.82 1.61 5.85 0.59 0.43 115.31 121.94 1s59 h LEU 143 Ca 0.05 0.21 0.12 0.00 0.84 0.00 0.00 57.88 59.10 1s59 h LEU 143 Cb -0.02 0.56 -0.08 0.00 0.37 0.00 0.00 40.66 41.49 1s59 h LEU 143 CO -0.01 -0.34 0.43 0.40 -0.34 0.00 0.00 178.44 178.58 1s59 h ILE 144 N -0.27 0.80 -0.16 4.05 1.08 -0.40 0.11 117.51 122.72 1s59 h ILE 144 Ca 0.17 -0.23 -0.15 0.00 -0.39 0.00 0.00 64.86 64.25 1s59 h ILE 144 Cb 0.56 0.07 -0.01 0.00 -3.07 0.00 0.00 36.82 34.38 1s59 h ILE 144 CO -0.57 0.12 -0.55 -0.33 -0.69 0.00 0.00 178.15 176.13 1s59 h GLU 145 N 0.67 0.47 0.25 2.37 5.08 -0.50 -2.89 114.58 120.03 1s59 h GLU 145 Ca 0.42 -0.30 -0.01 0.00 -1.00 0.00 0.00 59.36 58.47 1s59 h GLU 145 Cb 0.52 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1s59 h GLU 145 CO -0.31 0.90 -0.12 -0.92 -1.00 0.00 0.00 179.01 177.56 1s59 h TYR 146 N 0.36 -0.31 0.00 4.33 3.20 0.91 0.26 116.97 125.72 1s59 h TYR 146 Ca 0.01 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.87 1s59 h TYR 146 Cb 1.08 0.10 0.00 0.00 1.54 0.00 0.00 36.73 39.45 1s59 h TYR 146 CO 0.04 -0.01 0.00 0.97 -1.64 0.00 0.00 178.16 177.52 1s59 h ILE 147 N -0.62 0.00 -0.13 1.81 6.09 -0.88 -2.00 117.51 121.78 1s59 h ILE 147 Ca -0.03 -0.02 0.00 0.00 -1.37 0.00 0.00 64.86 63.43 1s59 h ILE 147 Cb 0.45 0.94 0.00 0.00 0.47 0.00 0.00 36.82 38.67 1s59 h ILE 147 CO 0.06 0.00 0.00 0.35 -3.07 0.00 0.00 178.15 175.49 1s59 n THR 148 N -2.95 0.39 0.81 2.19 -2.24 -1.09 -4.59 114.28 106.80 1s59 n THR 148 Ca -0.03 -0.70 0.08 0.00 -2.27 0.00 0.00 64.05 61.14 1s59 n THR 148 Cb 0.07 0.93 0.42 0.00 -2.10 0.00 0.00 70.33 69.65 1s59 n THR 148 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1s59 n SER 149 N 0.48 0.00 -3.69 3.42 3.41 0.06 -4.86 113.62 112.45 1s59 n SER 149 Ca 0.07 -0.07 0.03 0.00 -0.26 0.00 0.00 58.87 58.65 1s59 n SER 149 Cb 0.30 -0.22 0.00 0.00 -0.26 0.00 0.00 64.21 64.04 1s59 n SER 149 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1s59 s GLY 150 N -2.44 -0.39 0.83 5.00 0.00 -1.26 -5.10 107.32 103.95 1s59 s GLY 150 Ca 0.17 0.65 -0.12 0.00 0.00 0.00 0.00 44.72 45.43 1s59 s GLY 150 CO 0.23 2.07 1.15 2.56 0.00 0.00 0.00 173.10 179.12 1s59 s PRO 151 N -2.10 1.63 0.35 2.90 0.04 -1.26 -4.67 135.00 131.89 1s59 s PRO 151 Ca 0.20 1.54 0.03 0.00 0.04 0.00 0.00 61.00 62.81 1s59 s PRO 151 Cb 0.05 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.75 1s59 s PRO 151 CO -0.05 -2.17 0.11 0.14 0.04 0.00 0.00 177.00 175.07 1s59 s VAL 152 N -2.49 0.74 -0.26 -0.36 -7.23 0.06 -4.00 120.40 106.86 1s59 s VAL 152 Ca 0.68 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.87 1s59 s VAL 152 Cb -0.24 -2.55 0.07 0.00 0.56 0.00 0.00 36.38 34.22 1s59 s VAL 152 CO 0.53 0.00 -0.05 -0.69 -0.31 0.00 0.00 175.10 174.58 1s59 s VAL 153 N -3.36 1.77 0.41 1.32 1.01 -0.62 -0.39 120.40 120.53 1s59 s VAL 153 Ca 0.31 -1.49 -0.22 0.00 0.00 0.00 0.00 61.98 60.58 1s59 s VAL 153 Cb 0.06 -2.04 -0.10 0.00 0.00 0.00 0.00 36.38 34.30 1s59 s VAL 153 CO 0.15 -0.17 0.98 0.00 0.00 0.00 0.00 175.10 176.05 1s59 s MET 155 N -2.84 0.62 -0.16 0.00 -1.94 0.91 -1.77 119.30 114.13 1s59 s MET 155 Ca 0.60 -0.28 -0.00 0.00 -1.71 0.00 0.00 55.69 54.29 1s59 s MET 155 Cb -0.14 0.27 0.04 0.00 2.01 0.00 0.00 34.83 37.01 1s59 s MET 155 CO 0.18 -0.17 -0.06 0.00 -0.01 0.00 0.00 175.02 174.97 1s59 s ALA 156 N -1.44 1.48 -0.07 3.03 0.00 0.11 -1.43 121.76 123.43 1s59 s ALA 156 Ca -0.13 -0.80 0.03 0.00 0.00 0.00 0.00 51.96 51.05 1s59 s ALA 156 Cb -0.06 -1.09 -0.02 0.00 0.00 0.00 0.00 23.12 21.95 1s59 s ALA 156 CO 0.03 -0.72 -0.15 -1.58 0.00 0.00 0.00 175.76 173.33 1s59 s TRP 157 N 1.64 2.70 0.07 0.00 0.52 -0.53 -0.96 118.94 122.38 1s59 s TRP 157 Ca 0.01 -0.37 0.06 0.00 0.02 0.00 0.00 56.10 55.83 1s59 s TRP 157 Cb -0.15 -1.69 -0.04 0.00 -1.15 0.00 0.00 33.47 30.44 1s59 s TRP 157 CO -0.08 0.02 -0.09 -2.00 0.02 0.00 0.00 176.95 174.83 1s59 s GLU 158 N -0.34 2.27 0.00 4.98 2.12 0.32 -1.16 118.70 126.89 1s59 s GLU 158 Ca 0.03 -0.93 0.00 0.00 0.36 0.00 0.00 54.97 54.43 1s59 s GLU 158 Cb -0.13 -2.37 0.00 0.00 0.26 0.00 0.00 34.13 31.90 1s59 s GLU 158 CO 0.02 0.54 0.00 0.41 -0.54 0.00 0.00 175.26 175.69 1s59 n GLY 159 N 0.95 2.77 3.67 -1.50 0.00 -0.69 -1.78 105.19 108.60 1s59 n GLY 159 Ca -0.14 -0.92 -0.43 0.00 0.00 0.00 0.00 46.02 44.54 1s59 n GLY 159 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1s59 s VAL 160 N -2.00 4.34 -0.86 1.61 1.01 -1.26 -1.53 120.40 121.71 1s59 s VAL 160 Ca 0.00 1.62 0.00 0.00 0.00 0.00 0.00 61.98 63.60 1s59 s VAL 160 Cb 0.00 -4.05 0.00 0.00 0.00 0.00 0.00 36.38 32.33 1s59 s VAL 160 CO 0.00 -0.11 0.00 0.61 0.00 0.00 0.00 175.10 175.60 1s59 n GLY 161 N 3.52 0.96 0.27 4.51 0.00 -1.26 -4.89 105.19 108.29 1s59 n GLY 161 Ca 0.13 -0.35 0.09 0.00 0.00 0.00 0.00 46.02 45.89 1s59 n GLY 161 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1s59 h VAL 162 N 0.00 0.98 0.86 1.61 3.04 -1.81 -1.88 116.25 119.05 1s59 h VAL 162 Ca -0.17 -0.00 -0.04 0.00 -1.01 0.00 0.00 66.70 65.48 1s59 h VAL 162 Cb 0.69 0.98 0.01 0.00 -2.01 0.00 0.00 31.29 30.96 1s59 h VAL 162 CO 0.24 0.00 -0.41 0.58 -1.01 0.00 0.00 177.57 176.97 1s59 h VAL 163 N 0.00 0.07 -0.74 1.51 2.07 -1.87 0.15 116.25 117.45 1s59 h VAL 163 Ca 0.02 -0.10 -0.03 0.00 0.82 0.00 0.00 66.70 67.40 1s59 h VAL 163 Cb 0.08 0.08 -0.03 0.00 -1.52 0.00 0.00 31.29 29.90 1s59 h VAL 163 CO -0.00 0.00 0.33 0.00 0.02 0.00 0.00 177.57 177.93 1s59 h ALA 164 N -1.19 0.96 -0.12 1.67 0.00 -1.86 -2.32 119.26 116.40 1s59 h ALA 164 Ca -0.12 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 1s59 h ALA 164 Cb 0.89 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 1s59 h ALA 164 CO 0.19 0.55 0.07 1.03 0.00 0.00 0.00 179.25 181.10 1s59 h SER 165 N 1.06 0.15 -0.72 0.00 0.87 -1.31 -1.53 113.55 112.06 1s59 h SER 165 Ca 0.25 -0.05 0.08 0.00 -1.23 0.00 0.00 61.79 60.85 1s59 h SER 165 Cb 0.16 -0.04 -0.07 0.00 -0.44 0.00 0.00 62.40 62.02 1s59 h SER 165 CO -0.03 0.15 0.38 0.00 -0.53 0.00 0.00 176.83 176.80 1s59 h ALA 166 N 1.00 0.99 -0.74 6.23 0.00 -0.49 0.23 119.26 126.48 1s59 h ALA 166 Ca 0.04 0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1s59 h ALA 166 Cb 0.03 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1s59 h ALA 166 CO -0.01 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.52 1s59 h ARG 167 N 0.65 1.11 -0.26 0.00 3.08 -1.08 -1.75 114.38 116.13 1s59 h ARG 167 Ca 0.35 -0.21 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1s59 h ARG 167 Cb 0.32 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.18 1s59 h ARG 167 CO -0.24 0.91 0.06 -0.22 -1.07 0.00 0.00 179.97 179.41 1s59 h LYS 168 N 1.08 0.42 0.00 0.04 3.64 -0.20 -2.34 116.57 119.21 1s59 h LYS 168 Ca 0.25 -0.10 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1s59 h LYS 168 Cb 0.23 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.00 1s59 h LYS 168 CO -0.02 0.52 0.00 1.28 -2.27 0.00 0.00 179.45 178.96 1s59 n LEU 169 N -4.70 0.51 -0.04 5.20 4.32 0.70 -2.83 117.00 120.16 1s59 n LEU 169 Ca -0.03 0.71 -0.20 0.00 -0.02 0.00 0.00 56.01 56.47 1s59 n LEU 169 Cb 0.18 -0.74 -0.13 0.00 -1.62 0.00 0.00 43.42 41.11 1s59 n LEU 169 CO 0.37 -0.81 -0.97 -0.38 -1.22 0.00 0.00 177.39 174.38 1s59 n ILE 170 N -2.16 1.69 0.00 -0.08 5.41 -0.70 -0.64 119.36 122.88 1s59 n ILE 170 Ca -0.00 -0.63 0.00 0.00 1.00 0.00 0.00 62.75 63.11 1s59 n ILE 170 Cb 0.08 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.38 1s59 n ILE 170 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1s59 n GLY 171 N 2.07 1.14 3.71 7.39 0.00 -1.04 0.38 105.19 118.84 1s59 n GLY 171 Ca -0.36 -2.03 -0.35 0.00 0.00 0.00 0.00 46.02 43.28 1s59 n GLY 171 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s59 s LYS 172 N -1.76 2.03 0.44 1.61 1.02 -1.26 -4.87 119.74 116.94 1s59 s LYS 172 Ca 0.00 1.90 0.23 0.00 0.02 0.00 0.00 55.97 58.12 1s59 s LYS 172 Cb 0.00 -1.80 1.23 0.00 -0.52 0.00 0.00 37.83 36.73 1s59 s LYS 172 CO 0.00 -1.96 1.79 1.15 -0.92 0.00 0.00 175.35 175.41 1s59 h THR 173 N -0.27 0.50 -3.31 2.17 2.02 -1.99 -3.33 112.91 108.71 1s59 h THR 173 Ca -0.48 -0.10 -0.68 0.00 0.77 0.00 0.00 66.41 65.92 1s59 h THR 173 Cb 1.32 0.20 -0.18 0.00 -1.74 0.00 0.00 68.15 67.74 1s59 h THR 173 CO 0.49 0.05 0.03 -0.62 0.37 0.00 0.00 175.52 175.84 1s59 s ASP 174 N -5.28 6.23 0.44 4.18 -1.08 -1.26 -4.45 116.67 115.45 1s59 s ASP 174 Ca -0.08 -0.85 0.22 0.00 -0.52 0.00 0.00 52.55 51.32 1s59 s ASP 174 Cb 0.24 -2.29 1.18 0.00 -1.46 0.00 0.00 42.92 40.60 1s59 s ASP 174 CO 0.80 -0.85 1.62 -0.65 0.52 0.00 0.00 175.17 176.60 1s59 h PRO 175 N 8.96 0.00 0.00 4.34 0.11 -1.82 0.37 132.00 143.96 1s59 h PRO 175 Ca -0.27 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.79 1s59 h PRO 175 Cb 1.10 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1s59 h PRO 175 CO 0.94 0.00 -0.45 -0.07 -0.21 0.00 0.00 178.00 178.21 1s59 h LEU 176 N 0.00 0.00 0.04 2.35 3.38 -1.81 -3.35 115.31 115.92 1s59 h LEU 176 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1s59 h LEU 176 Cb 0.46 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.16 1s59 h LEU 176 CO 0.00 0.21 -1.99 0.00 0.09 0.00 0.00 178.44 176.75 1s59 n GLN 177 N -3.05 0.65 -1.28 1.13 1.13 0.11 -4.95 117.38 111.12 1s59 n GLN 177 Ca 0.01 0.33 -0.49 0.00 -1.94 0.00 0.00 57.00 54.91 1s59 n GLN 177 Cb 0.63 -1.64 -0.06 0.00 0.11 0.00 0.00 30.24 29.27 1s59 n GLN 177 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1s59 n ALA 178 N -3.40 -3.13 -1.77 -1.58 0.00 -0.21 -4.85 120.51 105.57 1s59 n ALA 178 Ca -0.39 0.50 -0.36 0.00 0.00 0.00 0.00 53.44 53.19 1s59 n ALA 178 Cb 0.91 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.86 1s59 n ALA 178 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1s59 s GLU 179 N -0.13 3.39 0.44 0.00 0.41 -1.26 -4.31 118.70 117.24 1s59 s GLU 179 Ca 0.75 1.70 -0.25 0.00 -0.41 0.00 0.00 54.97 56.76 1s59 s GLU 179 Cb -1.05 -2.10 -0.08 0.00 -1.78 0.00 0.00 34.13 29.12 1s59 s GLU 179 CO 0.49 -0.84 1.40 -2.14 -0.49 0.00 0.00 175.26 173.69 1s59 s PRO 180 N -3.14 3.73 0.00 0.39 0.02 -1.26 -2.43 135.00 132.32 1s59 s PRO 180 Ca 0.71 2.37 0.00 0.00 0.02 0.00 0.00 61.00 64.10 1s59 s PRO 180 Cb -0.26 -2.67 0.00 0.00 0.02 0.00 0.00 34.50 31.58 1s59 s PRO 180 CO 0.30 -0.76 0.00 0.41 -0.33 0.00 0.00 177.00 176.62 1s59 n GLY 181 N 0.59 2.34 3.93 0.52 0.00 -1.26 -4.96 105.19 106.35 1s59 n GLY 181 Ca 0.05 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1s59 n GLY 181 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1s59 s THR 182 N -2.32 2.76 0.06 2.61 -4.23 -1.02 -4.93 115.64 108.57 1s59 s THR 182 Ca 0.00 -0.25 -0.22 0.00 -1.18 0.00 0.00 61.69 60.03 1s59 s THR 182 Cb 0.00 -3.14 -0.14 0.00 1.34 0.00 0.00 72.50 70.56 1s59 s THR 182 CO 0.00 -0.14 1.54 0.40 -0.54 0.00 0.00 174.62 175.88 1s59 h ILE 183 N -0.36 1.20 -0.17 2.99 2.04 -0.59 -2.32 117.51 120.29 1s59 h ILE 183 Ca -0.44 -0.60 -0.20 0.00 1.00 0.00 0.00 64.86 64.61 1s59 h ILE 183 Cb 1.29 1.43 0.00 0.00 -0.74 0.00 0.00 36.82 38.81 1s59 h ILE 183 CO 0.59 0.17 -0.70 0.03 0.00 0.00 0.00 178.15 178.24 1s59 h ARG 184 N -0.07 0.72 0.00 2.37 3.08 -0.35 -1.19 114.38 118.93 1s59 h ARG 184 Ca 0.03 -0.55 -0.05 0.00 0.07 0.00 0.00 59.98 59.48 1s59 h ARG 184 Cb 0.25 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.39 1s59 h ARG 184 CO 0.00 1.16 -0.25 0.78 -1.07 0.00 0.00 179.97 180.60 1s59 h GLY 185 N 0.77 0.00 0.93 0.04 0.00 -1.72 -1.24 103.07 101.85 1s59 h GLY 185 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.96 1s59 h GLY 185 CO 0.14 0.00 -1.76 -0.55 0.00 0.00 0.00 176.54 174.38 1s59 h ASP 186 N 0.00 0.47 -0.02 0.19 3.32 -1.34 -3.43 116.42 115.62 1s59 h ASP 186 Ca -0.00 -0.78 0.00 0.00 0.02 0.00 0.00 57.03 56.27 1s59 h ASP 186 Cb 0.51 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.90 1s59 h ASP 186 CO 0.03 1.67 0.00 0.18 -1.72 0.00 0.00 179.24 179.40 1s59 n LEU 187 N -3.49 1.43 -4.26 1.55 4.77 -0.46 -5.04 117.00 111.49 1s59 n LEU 187 Ca -0.24 -1.30 -0.14 0.00 -0.03 0.00 0.00 56.01 54.30 1s59 n LEU 187 Cb 1.06 -0.01 -0.10 0.00 -2.33 0.00 0.00 43.42 42.04 1s59 n LEU 187 CO 0.49 0.35 -0.39 0.00 -1.33 0.00 0.00 177.39 176.50 1s59 s ALA 188 N -0.39 1.49 0.00 -1.18 0.00 -0.47 -5.01 121.76 116.20 1s59 s ALA 188 Ca 0.02 -1.54 0.00 0.00 0.00 0.00 0.00 51.96 50.44 1s59 s ALA 188 Cb 0.01 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.31 1s59 s ALA 188 CO 0.02 -0.15 0.57 1.33 0.00 0.00 0.00 175.76 177.53 1s59 n VAL 189 N -0.24 0.32 -3.64 0.00 0.24 -1.26 -4.51 118.33 109.24 1s59 n VAL 189 Ca -0.09 -0.42 -0.13 0.00 -2.04 0.00 0.00 64.34 61.65 1s59 n VAL 189 Cb 0.61 1.02 -0.07 0.00 -1.47 0.00 0.00 33.84 33.93 1s59 n VAL 189 CO 0.00 0.00 0.00 -1.58 -2.14 0.00 0.00 176.83 173.11 1s59 s GLN 190 N -0.32 0.78 0.09 7.34 0.74 -1.26 -4.60 119.66 122.42 1s59 s GLN 190 Ca 0.00 0.96 -0.24 0.00 0.05 0.00 0.00 55.36 56.13 1s59 s GLN 190 Cb 0.00 0.37 -0.09 0.00 1.10 0.00 0.00 33.01 34.39 1s59 s GLN 190 CO 0.00 -0.10 1.39 1.15 -0.55 0.00 0.00 175.29 177.18 1s59 h THR 191 N 4.13 0.00 0.00 -0.34 2.02 -1.93 -0.68 112.91 116.11 1s59 h THR 191 Ca -0.29 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.89 1s59 h THR 191 Cb 1.17 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 1s59 h THR 191 CO 0.08 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1s59 n GLY 192 N -1.29 0.00 2.56 2.16 0.00 -1.26 -1.37 105.19 105.99 1s59 n GLY 192 Ca -0.04 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.88 1s59 n GLY 192 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1s59 n ARG 193 N -0.90 1.10 -0.95 1.61 5.12 -0.29 -4.97 116.66 117.38 1s59 n ARG 193 Ca 0.00 -2.86 -0.20 0.00 -1.93 0.00 0.00 57.85 52.86 1s59 n ARG 193 Cb 0.00 -1.10 0.05 0.00 -1.16 0.00 0.00 32.46 30.25 1s59 n ARG 193 CO 0.00 0.00 0.00 0.27 -1.93 0.00 0.00 177.63 175.97 1s59 n ASN 194 N -0.04 6.32 0.00 0.55 0.23 -0.47 -4.44 115.26 117.42 1s59 n ASN 194 Ca 0.10 -3.19 0.00 0.00 -0.53 0.00 0.00 54.58 50.97 1s59 n ASN 194 Cb 0.77 -1.00 0.00 0.00 -2.08 0.00 0.00 39.78 37.47 1s59 n ASN 194 CO 0.00 0.00 0.00 2.30 -0.93 0.00 0.00 177.26 178.63 1s59 n ILE 195 N 0.01 0.00 -3.49 1.53 -5.35 -1.26 -4.72 119.36 106.09 1s59 n ILE 195 Ca 0.37 0.00 -0.16 0.00 -0.27 0.00 0.00 62.75 62.69 1s59 n ILE 195 Cb 0.67 0.00 -0.05 0.00 -1.74 0.00 0.00 39.64 38.52 1s59 n ILE 195 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1s59 s VAL 196 N 0.00 0.00 0.12 7.28 0.11 -1.26 -2.27 120.40 124.37 1s59 s VAL 196 Ca 0.00 0.00 0.08 0.00 -2.93 0.00 0.00 61.98 59.13 1s59 s VAL 196 Cb 0.00 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.81 1s59 s VAL 196 CO 0.00 0.00 -0.19 -2.28 -3.33 0.00 0.00 175.10 169.30 1s59 s HIS 197 N -2.07 1.74 -0.11 1.54 2.46 0.24 -4.92 115.29 114.18 1s59 s HIS 197 Ca -0.07 -0.44 -0.13 0.00 0.47 0.00 0.00 55.06 54.89 1s59 s HIS 197 Cb -0.00 -0.93 0.03 0.00 -0.13 0.00 0.00 32.58 31.55 1s59 s HIS 197 CO 0.02 0.23 0.34 0.20 -2.47 0.00 0.00 174.74 173.06 1s59 s GLY 198 N -2.14 -0.24 0.38 1.59 0.00 -1.26 -1.42 107.32 104.24 1s59 s GLY 198 Ca 0.09 0.84 -0.27 0.00 0.00 0.00 0.00 44.72 45.38 1s59 s GLY 198 CO 0.05 0.69 1.30 1.44 0.00 0.00 0.00 173.10 176.58 1s59 n SER 199 N 2.54 2.77 -0.48 1.64 7.64 -0.93 -4.90 113.62 121.91 1s59 n SER 199 Ca -0.15 1.16 0.13 0.00 1.01 0.00 0.00 58.87 61.03 1s59 n SER 199 Cb 0.57 -1.51 0.43 0.00 -1.01 0.00 0.00 64.21 62.70 1s59 n SER 199 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 1s59 n ASP 200 N 0.47 1.57 -3.49 6.43 5.68 -1.26 -4.75 116.55 121.20 1s59 n ASP 200 Ca 0.05 -1.42 -0.12 0.00 -0.50 0.00 0.00 54.79 52.81 1s59 n ASP 200 Cb 0.38 0.05 -0.03 0.00 -1.14 0.00 0.00 41.12 40.37 1s59 n ASP 200 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1s59 s SER 201 N -2.13 -0.49 0.30 -1.12 1.04 -1.26 -5.00 113.70 105.04 1s59 s SER 201 Ca 0.33 0.20 0.02 0.00 0.48 0.00 0.00 55.95 56.99 1s59 s SER 201 Cb 0.20 0.47 0.59 0.00 0.10 0.00 0.00 66.02 67.39 1s59 s SER 201 CO 0.38 -0.69 1.86 -0.65 0.98 0.00 0.00 173.24 175.12 1s59 h PRO 202 N 2.28 0.93 -0.11 4.02 0.11 -1.92 0.31 132.00 137.63 1s59 h PRO 202 Ca -0.26 -0.06 -0.02 0.00 0.11 0.00 0.00 66.00 65.77 1s59 h PRO 202 Cb 1.23 -0.21 -0.00 0.00 0.11 0.00 0.00 31.00 32.13 1s59 h PRO 202 CO 0.35 0.62 -0.01 1.05 -0.21 0.00 0.00 178.00 179.79 1s59 h GLU 203 N 0.96 0.21 0.00 1.05 4.11 -1.96 -1.64 114.58 117.31 1s59 h GLU 203 Ca 0.46 -0.07 -0.02 0.00 0.07 0.00 0.00 59.36 59.80 1s59 h GLU 203 Cb 0.44 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.67 1s59 h GLU 203 CO -0.22 0.48 -0.10 -0.91 0.07 0.00 0.00 179.01 178.34 1s59 h ASN 204 N -0.09 0.00 0.90 3.06 2.35 -1.83 -0.96 115.58 119.01 1s59 h ASN 204 Ca 0.03 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.74 1s59 h ASN 204 Cb 0.40 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.78 1s59 h ASN 204 CO 0.01 0.10 -0.43 1.23 -1.65 0.00 0.00 177.43 176.68 1s59 h GLY 205 N 1.16 -1.26 0.30 2.83 0.00 0.36 0.13 103.07 106.60 1s59 h GLY 205 Ca -0.00 0.47 0.14 0.00 0.00 0.00 0.00 47.33 47.94 1s59 h GLY 205 CO 0.01 -0.46 0.51 0.50 0.00 0.00 0.00 176.54 177.10 1s59 h LYS 206 N -1.22 0.72 0.80 4.80 1.57 -0.88 -1.68 116.57 120.68 1s59 h LYS 206 Ca -0.12 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.57 1s59 h LYS 206 Cb 0.92 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 33.08 1s59 h LYS 206 CO 0.20 0.48 -0.38 -0.09 -0.57 0.00 0.00 179.45 179.08 1s59 h ARG 207 N 0.74 -1.04 -0.88 3.15 2.43 -0.94 -1.78 114.38 116.06 1s59 h ARG 207 Ca 0.48 0.07 0.02 0.00 -0.81 0.00 0.00 59.98 59.74 1s59 h ARG 207 Cb 0.62 0.24 -0.05 0.00 -0.42 0.00 0.00 29.97 30.36 1s59 h ARG 207 CO -0.33 -0.68 0.58 0.93 -1.51 0.00 0.00 179.97 178.96 1s59 h GLU 208 N -1.16 1.12 -0.82 0.20 5.08 -0.50 0.24 114.58 118.74 1s59 h GLU 208 Ca -0.11 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1s59 h GLU 208 Cb 0.84 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.79 1s59 h GLU 208 CO 0.18 0.74 0.48 0.82 -1.00 0.00 0.00 179.01 180.23 1s59 h ILE 209 N 1.16 1.23 -0.04 3.13 2.04 -1.32 0.70 117.51 124.42 1s59 h ILE 209 Ca 0.33 -0.53 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1s59 h ILE 209 Cb -0.09 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.07 1s59 h ILE 209 CO -0.09 0.25 -0.51 1.23 0.00 0.00 0.00 178.15 179.04 1s59 h GLY 210 N 1.15 0.10 1.04 5.37 0.00 -0.25 0.27 103.07 110.75 1s59 h GLY 210 Ca 0.29 -0.11 -0.21 0.00 0.00 0.00 0.00 47.33 47.31 1s59 h GLY 210 CO -0.05 0.10 -0.77 -2.00 0.00 0.00 0.00 176.54 173.82 1s59 h LEU 211 N 0.08 0.78 0.06 3.11 5.85 0.37 -3.38 115.31 122.18 1s59 h LEU 211 Ca 0.00 -0.70 -0.34 0.00 0.84 0.00 0.00 57.88 57.69 1s59 h LEU 211 Cb 0.92 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.68 1s59 h LEU 211 CO 0.07 1.36 -1.94 0.79 -0.34 0.00 0.00 178.44 178.38 1s59 n TRP 212 N -4.04 0.97 -3.94 1.25 7.02 0.15 -4.91 117.44 113.94 1s59 n TRP 212 Ca -0.09 0.27 -0.35 0.00 -1.02 0.00 0.00 57.50 56.30 1s59 n TRP 212 Cb 0.74 -1.15 -0.09 0.00 -2.42 0.00 0.00 31.31 28.40 1s59 n TRP 212 CO 0.00 0.00 0.00 -0.06 -2.02 0.00 0.00 177.69 175.61 1s59 s PHE 213 N -2.57 3.33 0.81 -5.99 0.40 0.95 -5.09 117.98 109.83 1s59 s PHE 213 Ca -0.15 0.20 -0.11 0.00 -0.60 0.00 0.00 56.93 56.27 1s59 s PHE 213 Cb 0.07 -2.07 0.08 0.00 0.51 0.00 0.00 43.02 41.62 1s59 s PHE 213 CO 0.78 0.28 1.09 0.15 0.70 0.00 0.00 175.22 178.23 1s59 s LYS 214 N 0.13 1.94 -0.27 0.44 1.02 -1.26 -4.52 119.74 117.22 1s59 s LYS 214 Ca 0.06 0.70 -0.28 0.00 0.02 0.00 0.00 55.97 56.47 1s59 s LYS 214 Cb -0.12 -1.90 -0.03 0.00 -0.52 0.00 0.00 37.83 35.26 1s59 s LYS 214 CO 0.00 -1.73 1.89 -1.21 -0.92 0.00 0.00 175.35 173.37 1s59 s GLU 215 N -5.10 3.39 0.00 1.68 0.41 -1.26 -2.05 118.70 115.77 1s59 s GLU 215 Ca 0.61 1.67 0.00 0.00 -0.41 0.00 0.00 54.97 56.84 1s59 s GLU 215 Cb -0.15 -4.22 0.00 0.00 -1.78 0.00 0.00 34.13 27.98 1s59 s GLU 215 CO 0.55 -1.80 0.00 0.41 -0.49 0.00 0.00 175.26 173.93 1s59 n GLY 216 N 5.37 0.78 0.10 -1.39 0.00 -1.26 -4.96 105.19 103.84 1s59 n GLY 216 Ca 0.24 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.30 1s59 n GLY 216 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1s59 h GLU 217 N 3.33 0.00 -6.67 1.61 5.08 -1.77 -3.46 114.58 112.71 1s59 h GLU 217 Ca 0.00 0.00 -0.51 0.00 -1.00 0.00 0.00 59.36 57.85 1s59 h GLU 217 Cb 0.00 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1s59 h GLU 217 CO 0.00 0.18 0.44 -0.51 -1.00 0.00 0.00 179.01 178.13 1s59 s LEU 218 N -5.65 4.51 -0.25 1.33 1.43 -1.26 -4.74 118.68 114.04 1s59 s LEU 218 Ca -0.02 2.05 -0.04 0.00 -1.03 0.00 0.00 54.13 55.09 1s59 s LEU 218 Cb 0.09 -3.60 0.01 0.00 0.03 0.00 0.00 46.19 42.71 1s59 s LEU 218 CO 0.80 -0.15 -0.01 0.00 0.23 0.00 0.00 176.35 177.22 1s59 s LYS 220 N 1.44 4.16 0.15 0.00 -0.14 -1.26 -4.47 119.74 119.61 1s59 s LYS 220 Ca 0.03 0.70 -0.24 0.00 -1.36 0.00 0.00 55.97 55.10 1s59 s LYS 220 Cb -0.16 -3.07 0.07 0.00 -1.68 0.00 0.00 37.83 32.99 1s59 s LYS 220 CO -0.02 0.54 0.74 1.67 -0.76 0.00 0.00 175.35 177.52 1s59 s TRP 221 N -1.31 -0.36 -0.23 3.18 1.48 -1.26 -5.14 118.94 115.29 1s59 s TRP 221 Ca 0.35 0.10 -0.07 0.00 -1.06 0.00 0.00 56.10 55.42 1s59 s TRP 221 Cb -0.18 0.60 -0.03 0.00 -1.16 0.00 0.00 33.47 32.70 1s59 s TRP 221 CO 0.20 -0.86 0.05 -0.51 -4.06 0.00 0.00 176.95 171.77 1s59 s ASP 222 N -2.75 5.13 0.08 -2.66 1.01 -1.26 -5.07 116.67 111.14 1s59 s ASP 222 Ca 0.06 -0.17 -0.31 0.00 0.71 0.00 0.00 52.55 52.84 1s59 s ASP 222 Cb -0.02 -1.91 -0.06 0.00 1.01 0.00 0.00 42.92 41.94 1s59 s ASP 222 CO -0.06 0.02 1.22 -0.55 0.21 0.00 0.00 175.17 176.01 1s59 s SER 223 N 1.31 7.05 0.07 0.27 0.15 -1.26 -4.89 113.70 116.41 1s59 s SER 223 Ca 0.05 2.06 0.12 0.00 0.70 0.00 0.00 55.95 58.88 1s59 s SER 223 Cb -0.15 -2.58 0.52 0.00 -1.71 0.00 0.00 66.02 62.10 1s59 s SER 223 CO 0.03 -0.48 1.36 0.00 1.20 0.00 0.00 173.24 175.35 1s59 n ALA 224 N 3.84 1.37 0.33 5.45 0.00 -1.26 -1.30 120.51 128.93 1s59 n ALA 224 Ca 0.09 0.01 0.07 0.00 0.00 0.00 0.00 53.44 53.61 1s59 n ALA 224 Cb 0.46 -1.18 0.09 0.00 0.00 0.00 0.00 19.45 18.81 1s59 n ALA 224 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1s59 n LEU 225 N -1.68 2.38 -0.33 0.00 4.77 -1.26 -4.62 117.00 116.26 1s59 n LEU 225 Ca 0.02 -1.29 0.22 0.00 -0.03 0.00 0.00 56.01 54.93 1s59 n LEU 225 Cb 0.10 -0.08 0.42 0.00 -2.33 0.00 0.00 43.42 41.54 1s59 n LEU 225 CO 0.09 0.50 0.96 0.00 -1.33 0.00 0.00 177.39 177.61 1s59 h ALA 226 N 2.52 1.64 0.00 -1.18 0.00 -1.58 0.84 119.26 121.51 1s59 h ALA 226 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1s59 h ALA 226 Cb 0.61 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.80 1s59 h ALA 226 CO 0.00 -0.69 0.00 -2.37 0.00 0.00 0.00 179.25 176.19 1s59 n THR 227 N -5.30 0.81 0.34 0.00 5.66 -1.26 -1.51 114.28 113.01 1s59 n THR 227 Ca 0.29 0.20 0.04 0.00 -3.05 0.00 0.00 64.05 61.53 1s59 n THR 227 Cb 0.96 -0.92 -0.02 0.00 -1.55 0.00 0.00 70.33 68.80 1s59 n THR 227 CO 0.00 0.00 0.00 0.79 -3.05 0.00 0.00 175.07 172.81 1s59 n TRP 228 N -1.46 0.00 -0.05 1.09 7.02 0.28 -4.52 117.44 119.80 1s59 n TRP 228 Ca 0.05 0.00 -0.20 0.00 -1.02 0.00 0.00 57.50 56.33 1s59 n TRP 228 Cb 0.18 0.00 -0.13 0.00 -2.42 0.00 0.00 31.31 28.94 1s59 n TRP 228 CO 0.00 0.00 0.00 1.28 -2.02 0.00 0.00 177.69 176.95 1s59 n LEU 229 N -0.73 2.75 -4.39 -0.99 7.99 -0.50 -5.03 117.00 116.11 1s59 n LEU 229 Ca 0.02 0.08 -0.21 0.00 -0.01 0.00 0.00 56.01 55.90 1s59 n LEU 229 Cb 0.14 -1.04 -0.09 0.00 -0.11 0.00 0.00 43.42 42.32 1s59 n LEU 229 CO 0.12 0.88 -0.20 -0.13 -1.51 0.00 0.00 177.39 176.55 1s59 s ARG 230 N -2.54 1.69 0.00 3.23 0.52 -0.57 -5.11 118.95 116.18 1s59 s ARG 230 Ca -0.27 -1.98 0.27 0.00 -0.52 0.00 0.00 55.73 53.22 1s59 s ARG 230 Cb 0.08 -0.26 0.85 0.00 0.52 0.00 0.00 34.95 36.14 1s59 s ARG 230 CO 0.70 -0.45 1.63 0.39 0.02 0.00 0.00 175.30 177.60