#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3h s TYR 112 N 0.00 3.08 -0.20 0.00 5.04 -1.26 -5.01 117.35 119.00 1c3h s TYR 112 Ca 0.00 0.91 -0.06 0.00 -2.44 0.00 0.00 57.07 55.48 1c3h s TYR 112 Cb 0.00 -3.82 -0.03 0.00 0.35 0.00 0.00 41.96 38.46 1c3h s TYR 112 CO 0.00 -2.80 0.03 -1.64 -1.34 0.00 0.00 175.55 169.80 1c3h s MET 113 N 0.29 3.76 -0.57 4.97 -1.94 -1.26 -5.06 119.30 119.50 1c3h s MET 113 Ca 0.63 -0.45 -0.25 0.00 -1.71 0.00 0.00 55.69 53.91 1c3h s MET 113 Cb -0.41 -3.16 0.04 0.00 2.01 0.00 0.00 34.83 33.30 1c3h s MET 113 CO 0.38 0.08 0.99 0.71 -0.01 0.00 0.00 175.02 177.17 1c3h s TYR 114 N 0.85 2.75 -0.11 -0.03 1.51 -1.26 -5.01 117.35 116.05 1c3h s TYR 114 Ca 0.02 0.02 0.01 0.00 -1.01 0.00 0.00 57.07 56.11 1c3h s TYR 114 Cb -0.14 -4.16 -0.02 0.00 -0.11 0.00 0.00 41.96 37.53 1c3h s TYR 114 CO 0.02 -1.42 -0.15 1.03 -1.11 0.00 0.00 175.55 173.92 1c3h s ARG 115 N 4.14 3.13 -0.29 -0.62 0.52 -1.26 -4.97 118.95 119.59 1c3h s ARG 115 Ca 0.32 -0.72 0.03 0.00 -0.52 0.00 0.00 55.73 54.84 1c3h s ARG 115 Cb -0.12 -2.52 0.20 0.00 0.52 0.00 0.00 34.95 33.02 1c3h s ARG 115 CO 0.19 0.31 0.60 0.45 0.02 0.00 0.00 175.30 176.87 1c3h s SER 116 N 0.09 -1.52 0.16 0.23 0.15 -1.26 -4.95 113.70 106.60 1c3h s SER 116 Ca -0.07 0.49 -0.21 0.00 0.70 0.00 0.00 55.95 56.87 1c3h s SER 116 Cb -0.15 2.09 0.06 0.00 -1.71 0.00 0.00 66.02 66.31 1c3h s SER 116 CO 0.05 -0.28 0.55 0.00 1.20 0.00 0.00 173.24 174.75 1c3h s ALA 117 N 2.84 -1.37 -0.04 5.45 0.00 -1.26 -0.02 121.76 127.36 1c3h s ALA 117 Ca 0.15 0.28 -0.27 0.00 0.00 0.00 0.00 51.96 52.12 1c3h s ALA 117 Cb -0.12 0.83 0.06 0.00 0.00 0.00 0.00 23.12 23.89 1c3h s ALA 117 CO -0.24 -0.75 0.59 -0.59 0.00 0.00 0.00 175.76 174.77 1c3h s PHE 118 N -3.78 -0.54 -0.22 0.00 -0.12 -0.53 -4.39 117.98 108.41 1c3h s PHE 118 Ca 0.02 0.91 -0.04 0.00 -0.05 0.00 0.00 56.93 57.78 1c3h s PHE 118 Cb -0.00 0.33 0.10 0.00 -0.63 0.00 0.00 43.02 42.81 1c3h s PHE 118 CO -0.11 -0.55 0.22 0.45 -0.05 0.00 0.00 175.22 175.17 1c3h s SER 119 N -1.23 1.60 0.18 1.98 0.15 0.60 -1.63 113.70 115.36 1c3h s SER 119 Ca -0.12 -0.37 0.08 0.00 0.70 0.00 0.00 55.95 56.25 1c3h s SER 119 Cb -0.01 0.31 -0.04 0.00 -1.71 0.00 0.00 66.02 64.56 1c3h s SER 119 CO 0.09 -0.34 -0.17 0.68 1.20 0.00 0.00 173.24 174.70 1c3h s VAL 120 N 2.30 1.81 0.14 4.45 -7.23 0.04 -0.31 120.40 121.59 1c3h s VAL 120 Ca 0.07 -2.05 0.05 0.00 -1.81 0.00 0.00 61.98 58.24 1c3h s VAL 120 Cb -0.16 -1.93 -0.04 0.00 0.56 0.00 0.00 36.38 34.81 1c3h s VAL 120 CO -0.16 -0.43 -0.11 -0.83 -0.31 0.00 0.00 175.10 173.26 1c3h s GLY 121 N -2.95 1.07 -0.04 2.32 0.00 0.27 -0.83 107.32 107.17 1c3h s GLY 121 Ca 0.19 -1.42 -0.29 0.00 0.00 0.00 0.00 44.72 43.20 1c3h s GLY 121 CO 0.07 -1.51 0.94 -2.27 0.00 0.00 0.00 173.10 170.33 1c3h s LEU 122 N -2.93 4.33 -0.23 0.66 2.96 -0.35 -0.70 118.68 122.42 1c3h s LEU 122 Ca 0.14 1.54 -0.05 0.00 -0.22 0.00 0.00 54.13 55.54 1c3h s LEU 122 Cb -0.00 -3.48 -0.13 0.00 0.50 0.00 0.00 46.19 43.08 1c3h s LEU 122 CO 0.02 -0.29 -0.25 -0.62 -1.32 0.00 0.00 176.35 173.89 1c3h n GLU 123 N 4.18 0.54 0.00 1.98 1.02 -1.26 -4.62 120.64 122.48 1c3h n GLU 123 Ca 0.05 0.18 0.00 0.00 -0.02 0.00 0.00 57.16 57.37 1c3h n GLU 123 Cb 0.50 -1.41 0.00 0.00 -0.02 0.00 0.00 31.44 30.52 1c3h n GLU 123 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1c3h n THR 124 N -3.60 0.00 -5.01 2.62 -2.24 -1.26 -4.65 114.28 100.14 1c3h n THR 124 Ca -0.44 0.00 -0.27 0.00 -2.27 0.00 0.00 64.05 61.07 1c3h n THR 124 Cb 0.88 -0.34 -0.15 0.00 -2.10 0.00 0.00 70.33 68.62 1c3h n THR 124 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1c3h s ARG 125 N 2.05 1.70 -0.12 -0.78 3.00 -1.26 -4.54 118.95 119.00 1c3h s ARG 125 Ca 0.00 -0.78 -0.16 0.00 0.00 0.00 0.00 55.73 54.79 1c3h s ARG 125 Cb 0.00 -1.66 -0.05 0.00 0.00 0.00 0.00 34.95 33.25 1c3h s ARG 125 CO 0.00 0.45 0.40 0.08 0.00 0.00 0.00 175.30 176.23 1c3h s VAL 126 N -0.53 5.22 0.00 3.52 1.01 -1.26 -4.89 120.40 123.47 1c3h s VAL 126 Ca 0.08 0.78 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1c3h s VAL 126 Cb -0.08 -3.73 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1c3h s VAL 126 CO -0.01 0.38 0.00 0.41 0.00 0.00 0.00 175.10 175.88 1c3h n THR 127 N 3.44 0.00 -3.28 3.92 -1.04 -1.26 -4.42 114.28 111.63 1c3h n THR 127 Ca -0.10 0.00 -0.45 0.00 -2.04 0.00 0.00 64.05 61.47 1c3h n THR 127 Cb 0.52 0.84 -0.06 0.00 -1.82 0.00 0.00 70.33 69.80 1c3h n THR 127 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1c3h s VAL 128 N 0.00 5.10 0.98 12.58 1.01 -1.26 -4.78 120.40 134.03 1c3h s VAL 128 Ca 0.00 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 1c3h s VAL 128 Cb 0.00 -4.27 0.18 0.00 0.00 0.00 0.00 36.38 32.29 1c3h s VAL 128 CO 0.00 -0.78 1.09 -2.84 0.00 0.00 0.00 175.10 172.58 1c3h s PRO 129 N 1.97 0.56 -1.13 2.72 0.02 -1.26 -4.18 135.00 133.70 1c3h s PRO 129 Ca 0.07 0.59 -0.08 0.00 0.02 0.00 0.00 61.00 61.60 1c3h s PRO 129 Cb -0.25 -1.75 0.06 0.00 0.02 0.00 0.00 34.50 32.59 1c3h s PRO 129 CO 0.07 -2.66 0.36 0.09 -0.33 0.00 0.00 177.00 174.52 1c3h n ASN 130 N -4.14 -3.26 -3.84 2.53 3.02 -0.76 -4.94 115.26 103.87 1c3h n ASN 130 Ca 0.06 -0.25 -0.12 0.00 -0.03 0.00 0.00 54.58 54.23 1c3h n ASN 130 Cb 0.57 -2.74 -0.13 0.00 -0.61 0.00 0.00 39.78 36.87 1c3h n ASN 130 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1c3h s VAL 131 N -2.79 0.00 -0.08 2.41 -7.23 -1.26 -4.99 120.40 106.47 1c3h s VAL 131 Ca 0.32 -0.03 -0.38 0.00 -1.81 0.00 0.00 61.98 60.08 1c3h s VAL 131 Cb -0.17 -0.16 -0.16 0.00 0.56 0.00 0.00 36.38 36.45 1c3h s VAL 131 CO 0.39 -0.01 1.58 -0.81 -0.31 0.00 0.00 175.10 175.93 1c3h n PRO 132 N 2.97 1.31 -2.20 4.82 -0.04 -1.26 -4.28 135.00 136.32 1c3h n PRO 132 Ca -0.13 0.48 -0.42 0.00 -0.04 0.00 0.00 63.50 63.39 1c3h n PRO 132 Cb 0.59 -2.16 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 1c3h n PRO 132 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1c3h s ILE 133 N 2.12 3.29 -0.88 0.52 1.01 0.15 -4.80 121.20 122.62 1c3h s ILE 133 Ca 0.91 0.98 -0.16 0.00 0.00 0.00 0.00 60.65 62.38 1c3h s ILE 133 Cb -0.96 -3.63 0.19 0.00 0.01 0.00 0.00 42.46 38.07 1c3h s ILE 133 CO 0.55 0.11 0.92 -0.13 0.00 0.00 0.00 174.94 176.38 1c3h s ARG 134 N 0.58 3.62 0.24 2.79 1.81 -1.26 -4.53 118.95 122.19 1c3h s ARG 134 Ca 0.61 -2.21 -0.30 0.00 -1.72 0.00 0.00 55.73 52.11 1c3h s ARG 134 Cb -0.36 -4.62 -0.09 0.00 -0.45 0.00 0.00 34.95 29.42 1c3h s ARG 134 CO 0.34 -1.48 1.15 -0.06 -0.68 0.00 0.00 175.30 174.57 1c3h s PHE 135 N 1.12 3.49 0.00 -0.53 0.40 -1.26 -4.81 117.98 116.38 1c3h s PHE 135 Ca 0.24 1.57 0.00 0.00 -0.60 0.00 0.00 56.93 58.14 1c3h s PHE 135 Cb -0.08 -3.36 0.00 0.00 0.51 0.00 0.00 43.02 40.09 1c3h s PHE 135 CO -0.09 -0.88 0.11 0.25 0.70 0.00 0.00 175.22 175.31 1c3h n THR 136 N 1.80 0.00 -2.79 0.64 -2.24 -0.70 -4.64 114.28 106.34 1c3h n THR 136 Ca 0.01 -0.34 -0.42 0.00 -2.27 0.00 0.00 64.05 61.03 1c3h n THR 136 Cb 0.45 1.10 -0.03 0.00 -2.10 0.00 0.00 70.33 69.75 1c3h n THR 136 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 1c3h s LYS 137 N -0.46 4.00 -0.41 -0.78 2.20 0.13 -4.90 119.74 119.52 1c3h s LYS 137 Ca 0.00 0.81 -0.14 0.00 -0.36 0.00 0.00 55.97 56.28 1c3h s LYS 137 Cb 0.00 -3.74 0.03 0.00 -1.51 0.00 0.00 37.83 32.62 1c3h s LYS 137 CO 0.00 -0.79 0.29 0.42 -0.36 0.00 0.00 175.35 174.91 1c3h s ILE 138 N 3.30 5.06 0.03 5.43 1.09 -1.26 0.94 121.20 135.79 1c3h s ILE 138 Ca 0.39 -0.79 0.03 0.00 -1.10 0.00 0.00 60.65 59.18 1c3h s ILE 138 Cb -0.13 -3.86 -0.25 0.00 -1.06 0.00 0.00 42.46 37.16 1c3h s ILE 138 CO 0.14 -0.34 0.95 -0.26 -0.10 0.00 0.00 174.94 175.34 1c3h h PHE 139 N 8.60 0.23 -1.77 3.97 -1.00 -1.03 -3.47 116.94 122.46 1c3h h PHE 139 Ca -0.27 -0.17 0.03 0.00 2.81 0.00 0.00 57.97 60.38 1c3h h PHE 139 Cb 1.11 -0.01 -0.24 0.00 3.61 0.00 0.00 35.95 40.42 1c3h h PHE 139 CO 0.57 1.19 0.28 -0.47 -1.61 0.00 0.00 178.31 178.27 1c3h s TYR 140 N -2.64 -0.67 -0.27 -0.55 5.04 -0.69 -4.93 117.35 112.63 1c3h s TYR 140 Ca -0.05 1.54 0.06 0.00 -2.44 0.00 0.00 57.07 56.18 1c3h s TYR 140 Cb 0.08 0.37 0.21 0.00 0.35 0.00 0.00 41.96 42.97 1c3h s TYR 140 CO 0.84 -0.33 1.13 -1.71 -1.34 0.00 0.00 175.55 174.14 1c3h n ASN 141 N 2.88 -1.15 -0.18 4.32 5.15 -1.26 -0.29 115.26 124.73 1c3h n ASN 141 Ca -0.15 -1.84 0.19 0.00 -0.60 0.00 0.00 54.58 52.18 1c3h n ASN 141 Cb 0.56 0.71 0.55 0.00 -0.53 0.00 0.00 39.78 41.07 1c3h n ASN 141 CO 0.00 0.00 0.00 -0.61 1.40 0.00 0.00 177.26 178.05 1c3h h GLN 142 N 1.06 0.32 -0.01 1.20 5.75 -1.97 -0.87 115.11 120.59 1c3h h GLN 142 Ca -0.35 -0.02 0.00 0.00 -0.15 0.00 0.00 58.65 58.13 1c3h h GLN 142 Cb 1.22 -0.07 0.00 0.00 1.07 0.00 0.00 27.48 29.70 1c3h h GLN 142 CO -0.13 0.21 -0.22 1.04 -2.65 0.00 0.00 178.83 177.08 1c3h n GLN 143 N -4.46 1.32 -1.77 1.69 3.00 -1.26 -4.93 117.38 110.96 1c3h n GLN 143 Ca 0.16 -0.92 -0.20 0.00 -0.01 0.00 0.00 57.00 56.03 1c3h n GLN 143 Cb 0.64 -1.48 -0.07 0.00 0.00 0.00 0.00 30.24 29.34 1c3h n GLN 143 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 1c3h n ASN 144 N -0.04 -5.48 0.25 1.08 3.02 -0.33 -4.85 115.26 108.91 1c3h n ASN 144 Ca 0.13 0.37 0.14 0.00 -0.03 0.00 0.00 54.58 55.19 1c3h n ASN 144 Cb 0.41 -4.68 0.50 0.00 -0.61 0.00 0.00 39.78 35.41 1c3h n ASN 144 CO 0.00 0.00 0.00 0.45 -2.62 0.00 0.00 177.26 175.09 1c3h h HIS 145 N 0.00 0.00 -2.93 3.10 3.86 -1.87 -3.41 115.15 113.89 1c3h h HIS 145 Ca -0.42 0.00 -0.63 0.00 -1.16 0.00 0.00 60.37 58.15 1c3h h HIS 145 Cb 1.31 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 29.70 1c3h h HIS 145 CO 0.55 0.07 -0.45 -0.47 0.86 0.00 0.00 177.93 178.50 1c3h s TYR 146 N -3.54 3.54 -0.32 2.45 5.04 -1.26 -0.67 117.35 122.58 1c3h s TYR 146 Ca 0.02 0.51 -0.06 0.00 -2.44 0.00 0.00 57.07 55.10 1c3h s TYR 146 Cb 0.08 -2.08 0.03 0.00 0.35 0.00 0.00 41.96 40.35 1c3h s TYR 146 CO 0.60 0.54 0.08 0.34 -1.34 0.00 0.00 175.55 175.76 1c3h s ASP 147 N -0.44 5.16 0.59 4.32 -1.08 0.29 -4.97 116.67 120.54 1c3h s ASP 147 Ca 0.14 -1.06 0.37 0.00 -0.52 0.00 0.00 52.55 51.48 1c3h s ASP 147 Cb -0.12 -1.84 1.76 0.00 -1.46 0.00 0.00 42.92 41.26 1c3h s ASP 147 CO 0.03 -0.28 2.13 1.23 0.52 0.00 0.00 175.17 178.80 1c3h h GLY 148 N 8.18 0.00 1.93 2.66 0.00 -1.87 0.99 103.07 114.97 1c3h h GLY 148 Ca -0.25 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.91 1c3h h GLY 148 CO 0.59 0.00 -0.81 1.48 0.00 0.00 0.00 176.54 177.80 1c3h h SER 149 N 0.00 0.08 0.00 0.19 4.64 -1.93 -3.30 113.55 113.22 1c3h h SER 149 Ca -0.00 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1c3h h SER 149 Cb 0.31 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1c3h h SER 149 CO 0.00 0.85 -0.93 0.35 -0.87 0.00 0.00 176.83 176.24 1c3h n THR 150 N -3.63 0.00 -1.23 2.95 -2.24 -1.01 -5.00 114.28 104.14 1c3h n THR 150 Ca -0.01 -0.25 -0.08 0.00 -2.27 0.00 0.00 64.05 61.44 1c3h n THR 150 Cb 0.77 0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1c3h n THR 150 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3h n GLY 151 N 1.54 0.98 3.55 3.38 0.00 0.34 -4.78 105.19 110.19 1c3h n GLY 151 Ca 0.00 -0.58 -0.30 0.00 0.00 0.00 0.00 46.02 45.15 1c3h n GLY 151 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c3h s LYS 152 N -2.55 2.01 -0.18 1.61 1.02 -1.12 -4.57 119.74 115.97 1c3h s LYS 152 Ca 0.00 -1.08 -0.09 0.00 0.02 0.00 0.00 55.97 54.82 1c3h s LYS 152 Cb 0.00 -2.24 -0.05 0.00 -0.52 0.00 0.00 37.83 35.02 1c3h s LYS 152 CO 0.00 0.50 0.13 0.12 -0.92 0.00 0.00 175.35 175.17 1c3h s PHE 153 N -1.20 3.44 -0.23 3.18 5.36 0.25 -0.55 117.98 128.25 1c3h s PHE 153 Ca 0.20 0.36 -0.03 0.00 -0.96 0.00 0.00 56.93 56.50 1c3h s PHE 153 Cb -0.11 -2.10 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 1c3h s PHE 153 CO 0.13 0.39 -0.05 0.71 -1.46 0.00 0.00 175.22 174.94 1c3h s TYR 154 N 0.01 2.97 0.01 10.12 2.02 0.16 -1.52 117.35 131.11 1c3h s TYR 154 Ca 0.09 -1.11 -0.30 0.00 -0.37 0.00 0.00 57.07 55.38 1c3h s TYR 154 Cb -0.11 -2.09 -0.06 0.00 -0.40 0.00 0.00 41.96 39.30 1c3h s TYR 154 CO -0.00 -0.60 1.38 0.00 -1.57 0.00 0.00 175.55 174.75 1c3h n ASN 156 N 5.13 0.41 -3.75 0.00 3.02 -1.26 -0.90 115.26 117.91 1c3h n ASN 156 Ca 0.13 -0.71 -0.25 0.00 -0.03 0.00 0.00 54.58 53.72 1c3h n ASN 156 Cb 0.44 0.79 -0.17 0.00 -0.61 0.00 0.00 39.78 40.23 1c3h n ASN 156 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1c3h s ILE 157 N -1.13 0.43 0.46 2.41 1.01 -1.26 -4.89 121.20 118.22 1c3h s ILE 157 Ca 0.02 -0.16 -0.24 0.00 0.00 0.00 0.00 60.65 60.27 1c3h s ILE 157 Cb 0.03 -0.74 -0.07 0.00 0.01 0.00 0.00 42.46 41.68 1c3h s ILE 157 CO 0.13 0.06 1.30 -2.16 0.00 0.00 0.00 174.94 174.27 1c3h s PRO 158 N 1.93 3.68 0.00 2.79 0.04 -1.26 -4.80 135.00 137.38 1c3h s PRO 158 Ca 0.03 2.13 0.00 0.00 0.04 0.00 0.00 61.00 63.19 1c3h s PRO 158 Cb -0.14 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.85 1c3h s PRO 158 CO -0.07 -0.72 0.00 0.41 0.04 0.00 0.00 177.00 176.66 1c3h n GLY 159 N 0.62 -0.77 3.70 0.56 0.00 -0.58 -0.65 105.19 108.08 1c3h n GLY 159 Ca 0.06 -1.34 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 1c3h n GLY 159 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3h s LEU 160 N 0.00 4.19 0.08 0.99 2.96 0.23 -0.55 118.68 126.59 1c3h s LEU 160 Ca 0.00 0.38 0.09 0.00 -0.22 0.00 0.00 54.13 54.38 1c3h s LEU 160 Cb 0.00 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.35 1c3h s LEU 160 CO 0.00 0.07 -0.21 -0.31 -1.32 0.00 0.00 176.35 174.58 1c3h s TYR 161 N 0.74 2.47 -0.13 5.38 1.51 -0.41 0.12 117.35 127.02 1c3h s TYR 161 Ca 0.14 -0.31 -0.02 0.00 -1.01 0.00 0.00 57.07 55.87 1c3h s TYR 161 Cb -0.13 -1.38 -0.03 0.00 -0.11 0.00 0.00 41.96 40.31 1c3h s TYR 161 CO 0.04 0.28 -0.06 -0.47 -1.11 0.00 0.00 175.55 174.23 1c3h s TYR 162 N -0.99 2.96 -0.01 2.71 5.04 -0.22 -1.03 117.35 125.80 1c3h s TYR 162 Ca 0.15 -0.29 0.06 0.00 -2.44 0.00 0.00 57.07 54.55 1c3h s TYR 162 Cb -0.10 -1.88 -0.02 0.00 0.35 0.00 0.00 41.96 40.31 1c3h s TYR 162 CO 0.06 0.01 -0.19 -0.06 -1.34 0.00 0.00 175.55 174.04 1c3h s PHE 163 N 0.09 1.70 -0.01 4.97 0.40 -0.38 -0.71 117.98 124.03 1c3h s PHE 163 Ca -0.02 -0.32 -0.05 0.00 -0.60 0.00 0.00 56.93 55.93 1c3h s PHE 163 Cb -0.14 -1.09 0.00 0.00 0.51 0.00 0.00 43.02 42.31 1c3h s PHE 163 CO 0.03 -0.02 0.11 0.45 0.70 0.00 0.00 175.22 176.49 1c3h s SER 164 N -0.51 0.01 -0.03 1.36 0.15 0.11 -1.41 113.70 113.39 1c3h s SER 164 Ca 0.07 -0.11 -0.11 0.00 0.70 0.00 0.00 55.95 56.50 1c3h s SER 164 Cb -0.07 0.21 0.02 0.00 -1.71 0.00 0.00 66.02 64.46 1c3h s SER 164 CO -0.01 -0.26 0.25 -0.72 1.20 0.00 0.00 173.24 173.70 1c3h s TYR 165 N -0.94 -0.14 -0.03 3.44 -0.85 0.06 0.46 117.35 119.35 1c3h s TYR 165 Ca -0.10 0.24 0.01 0.00 -0.52 0.00 0.00 57.07 56.70 1c3h s TYR 165 Cb -0.06 0.05 0.01 0.00 0.38 0.00 0.00 41.96 42.35 1c3h s TYR 165 CO 0.01 -0.31 -0.04 -1.01 -1.52 0.00 0.00 175.55 172.68 1c3h s HIS 166 N -1.03 0.58 -0.06 -3.49 3.76 -0.46 -1.03 115.29 113.56 1c3h s HIS 166 Ca -0.11 -0.13 0.01 0.00 -0.15 0.00 0.00 55.06 54.68 1c3h s HIS 166 Cb -0.05 -0.50 0.02 0.00 1.11 0.00 0.00 32.58 33.16 1c3h s HIS 166 CO 0.03 -0.11 -0.05 0.42 -0.85 0.00 0.00 174.74 174.17 1c3h s ILE 167 N 0.57 0.64 -0.17 0.60 1.01 0.26 0.46 121.20 124.58 1c3h s ILE 167 Ca -0.07 -0.16 -0.29 0.00 0.00 0.00 0.00 60.65 60.13 1c3h s ILE 167 Cb -0.10 -0.66 -0.00 0.00 0.01 0.00 0.00 42.46 41.70 1c3h s ILE 167 CO -0.00 0.26 1.01 -0.89 0.00 0.00 0.00 174.94 175.31 1c3h s THR 168 N 1.05 4.74 -0.21 2.92 2.01 -1.25 -0.92 115.64 123.99 1c3h s THR 168 Ca -0.09 2.00 -0.11 0.00 0.31 0.00 0.00 61.69 63.80 1c3h s THR 168 Cb -0.14 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.02 1c3h s THR 168 CO -0.01 -0.08 0.18 0.68 -0.69 0.00 0.00 174.62 174.71 1c3h s VAL 169 N 2.60 5.36 -0.05 3.82 -7.23 -0.53 -1.46 120.40 122.92 1c3h s VAL 169 Ca 0.45 0.28 -0.14 0.00 -1.81 0.00 0.00 61.98 60.77 1c3h s VAL 169 Cb -0.17 -3.52 0.03 0.00 0.56 0.00 0.00 36.38 33.28 1c3h s VAL 169 CO 0.12 0.39 0.31 -0.47 -0.31 0.00 0.00 175.10 175.14 1c3h s TYR 170 N 0.66 -0.24 0.00 2.82 5.04 -1.25 -2.80 117.35 121.58 1c3h s TYR 170 Ca 0.10 0.48 0.00 0.00 -2.44 0.00 0.00 57.07 55.20 1c3h s TYR 170 Cb -0.12 0.10 0.00 0.00 0.35 0.00 0.00 41.96 42.29 1c3h s TYR 170 CO 0.02 -0.31 0.00 -1.33 -1.34 0.00 0.00 175.55 172.58 1c3h n MET 171 N 1.84 0.00 -4.32 4.97 2.81 -1.26 -4.73 117.12 116.42 1c3h n MET 171 Ca -0.19 0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.47 1c3h n MET 171 Cb 0.57 0.00 -0.08 0.00 -0.71 0.00 0.00 33.22 33.00 1c3h n MET 171 CO 0.00 0.00 0.00 0.15 1.51 0.00 0.00 175.97 177.63 1c3h s LYS 172 N 0.00 2.14 1.02 0.03 1.02 -1.26 -4.91 119.74 117.77 1c3h s LYS 172 Ca 0.00 -1.58 -0.15 0.00 0.02 0.00 0.00 55.97 54.27 1c3h s LYS 172 Cb 0.00 -2.03 0.07 0.00 -0.52 0.00 0.00 37.83 35.35 1c3h s LYS 172 CO 0.00 0.28 0.31 -0.25 -0.92 0.00 0.00 175.35 174.76 1c3h n ASP 173 N -0.88 -2.11 -3.94 2.83 10.43 -1.26 -4.56 116.55 117.06 1c3h n ASP 173 Ca -0.05 0.16 -0.25 0.00 2.57 0.00 0.00 54.79 57.21 1c3h n ASP 173 Cb 0.60 -1.13 -0.17 0.00 1.84 0.00 0.00 41.12 42.27 1c3h n ASP 173 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1c3h s VAL 174 N -2.35 0.98 -0.21 2.53 1.01 0.32 -3.62 120.40 119.06 1c3h s VAL 174 Ca 0.57 -0.32 -0.04 0.00 0.00 0.00 0.00 61.98 62.19 1c3h s VAL 174 Cb -0.18 -0.97 0.09 0.00 0.00 0.00 0.00 36.38 35.32 1c3h s VAL 174 CO 0.67 0.34 0.16 -0.75 0.00 0.00 0.00 175.10 175.52 1c3h s LYS 175 N 1.28 0.15 0.26 2.72 2.20 -1.26 0.71 119.74 125.80 1c3h s LYS 175 Ca -0.03 -0.07 0.11 0.00 -0.36 0.00 0.00 55.97 55.62 1c3h s LYS 175 Cb -0.14 -1.39 -0.05 0.00 -1.51 0.00 0.00 37.83 34.74 1c3h s LYS 175 CO -0.03 -0.76 -0.17 0.14 -0.36 0.00 0.00 175.35 174.17 1c3h s VAL 176 N 2.22 2.67 0.00 4.02 -7.23 -0.67 -0.10 120.40 121.31 1c3h s VAL 176 Ca 0.06 -2.25 0.02 0.00 -1.81 0.00 0.00 61.98 58.00 1c3h s VAL 176 Cb -0.16 -2.39 -0.01 0.00 0.56 0.00 0.00 36.38 34.39 1c3h s VAL 176 CO -0.17 -0.35 -0.05 -0.55 -0.31 0.00 0.00 175.10 173.67 1c3h s SER 177 N -3.41 0.58 -0.14 4.85 0.15 0.84 -1.27 113.70 115.30 1c3h s SER 177 Ca 0.29 -0.13 -0.20 0.00 0.70 0.00 0.00 55.95 56.62 1c3h s SER 177 Cb -0.06 -0.05 -0.04 0.00 -1.71 0.00 0.00 66.02 64.16 1c3h s SER 177 CO 0.15 0.03 0.55 -0.22 1.20 0.00 0.00 173.24 174.96 1c3h s LEU 178 N -0.24 4.23 0.00 3.45 2.96 0.63 -0.90 118.68 128.81 1c3h s LEU 178 Ca 0.01 0.85 0.02 0.00 -0.22 0.00 0.00 54.13 54.79 1c3h s LEU 178 Cb -0.03 -2.80 -0.04 0.00 0.50 0.00 0.00 46.19 43.83 1c3h s LEU 178 CO -0.00 -0.11 -0.03 -0.36 -1.32 0.00 0.00 176.35 174.53 1c3h s PHE 179 N 1.11 2.99 -0.04 5.38 0.40 0.98 -0.39 117.98 128.41 1c3h s PHE 179 Ca 0.28 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.63 1c3h s PHE 179 Cb -0.16 -1.64 0.03 0.00 0.51 0.00 0.00 43.02 41.76 1c3h s PHE 179 CO 0.11 0.43 0.03 0.21 0.70 0.00 0.00 175.22 176.70 1c3h s LYS 180 N -1.52 0.19 -1.30 0.44 2.20 -0.65 -1.70 119.74 117.39 1c3h s LYS 180 Ca 0.19 0.22 -0.04 0.00 -0.36 0.00 0.00 55.97 55.97 1c3h s LYS 180 Cb -0.11 -0.60 -0.00 0.00 -1.51 0.00 0.00 37.83 35.61 1c3h s LYS 180 CO 0.09 -0.26 0.62 1.63 -0.36 0.00 0.00 175.35 177.07 1c3h n LYS 181 N 4.87 -3.53 -1.16 4.03 5.02 -0.57 -1.63 118.16 125.19 1c3h n LYS 181 Ca -0.12 0.52 -0.05 0.00 -2.02 0.00 0.00 58.31 56.63 1c3h n LYS 181 Cb 0.50 -4.76 -0.02 0.00 -0.02 0.00 0.00 35.03 30.73 1c3h n LYS 181 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1c3h n ASP 182 N -2.96 -5.68 -4.15 4.39 8.00 -1.26 -4.97 116.55 109.92 1c3h n ASP 182 Ca -0.26 0.13 -0.28 0.00 0.71 0.00 0.00 54.79 55.10 1c3h n ASP 182 Cb 0.66 -3.66 -0.16 0.00 -0.02 0.00 0.00 41.12 37.94 1c3h n ASP 182 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1c3h s LYS 183 N -2.36 2.14 0.16 -1.24 1.02 -0.65 -5.10 119.74 113.71 1c3h s LYS 183 Ca 0.00 -0.67 -0.32 0.00 0.02 0.00 0.00 55.97 55.00 1c3h s LYS 183 Cb 0.00 -1.76 -0.10 0.00 -0.52 0.00 0.00 37.83 35.44 1c3h s LYS 183 CO 0.00 0.21 1.63 0.00 -0.92 0.00 0.00 175.35 176.27 1c3h s ALA 184 N 0.19 3.81 -0.08 5.17 0.00 -1.26 -1.63 121.76 127.95 1c3h s ALA 184 Ca -0.09 1.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.26 1c3h s ALA 184 Cb -0.14 -3.65 -0.04 0.00 0.00 0.00 0.00 23.12 19.28 1c3h s ALA 184 CO 0.04 -0.87 -0.09 0.28 0.00 0.00 0.00 175.76 175.12 1c3h n VAL 185 N 4.10 0.43 -4.85 0.00 0.31 0.47 -4.93 118.33 113.86 1c3h n VAL 185 Ca 0.15 -0.14 -0.25 0.00 -0.01 0.00 0.00 64.34 64.09 1c3h n VAL 185 Cb 0.38 -1.22 -0.15 0.00 -0.91 0.00 0.00 33.84 31.94 1c3h n VAL 185 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 1c3h s LEU 186 N -5.97 2.01 -0.03 7.52 2.96 -1.11 -4.96 118.68 119.10 1c3h s LEU 186 Ca -0.11 -0.33 0.06 0.00 -0.22 0.00 0.00 54.13 53.54 1c3h s LEU 186 Cb 0.04 -0.92 -0.01 0.00 0.50 0.00 0.00 46.19 45.79 1c3h s LEU 186 CO 0.15 0.20 -0.22 -0.36 -1.32 0.00 0.00 176.35 174.81 1c3h s PHE 187 N -0.32 2.06 -0.06 5.38 0.40 -1.26 -0.27 117.98 123.90 1c3h s PHE 187 Ca 0.05 -0.46 -0.01 0.00 -0.60 0.00 0.00 56.93 55.90 1c3h s PHE 187 Cb -0.08 -1.34 0.03 0.00 0.51 0.00 0.00 43.02 42.14 1c3h s PHE 187 CO -0.00 -0.08 0.01 0.99 0.70 0.00 0.00 175.22 176.84 1c3h s THR 188 N -0.39 0.26 -0.07 0.64 2.01 -0.40 -5.02 115.64 112.67 1c3h s THR 188 Ca 0.05 0.19 0.04 0.00 0.31 0.00 0.00 61.69 62.27 1c3h s THR 188 Cb -0.10 -0.44 -0.02 0.00 0.01 0.00 0.00 72.50 71.96 1c3h s THR 188 CO 0.00 0.24 -0.18 -0.47 -0.69 0.00 0.00 174.62 173.52 1c3h s TYR 189 N 1.96 2.63 -0.25 4.92 5.04 -1.26 -1.66 117.35 128.73 1c3h s TYR 189 Ca 0.04 -0.49 -0.02 0.00 -2.44 0.00 0.00 57.07 54.16 1c3h s TYR 189 Cb -0.12 -1.68 0.12 0.00 0.35 0.00 0.00 41.96 40.64 1c3h s TYR 189 CO -0.04 -0.07 0.30 0.34 -1.34 0.00 0.00 175.55 174.74 1c3h s ASP 190 N -0.23 1.10 0.54 4.32 -1.08 0.22 -4.99 116.67 116.54 1c3h s ASP 190 Ca -0.00 -0.29 -0.19 0.00 -0.52 0.00 0.00 52.55 51.55 1c3h s ASP 190 Cb -0.13 0.67 -0.06 0.00 -1.46 0.00 0.00 42.92 41.94 1c3h s ASP 190 CO 0.03 -0.34 1.07 -1.10 0.52 0.00 0.00 175.17 175.35 1c3h s GLN 191 N 2.41 3.50 -0.10 4.34 -0.21 -1.26 -0.52 119.66 127.82 1c3h s GLN 191 Ca 0.10 1.41 -0.00 0.00 0.02 0.00 0.00 55.36 56.88 1c3h s GLN 191 Cb -0.15 -2.05 -0.02 0.00 1.00 0.00 0.00 33.01 31.79 1c3h s GLN 191 CO -0.21 -0.69 -0.09 -0.47 -2.12 0.00 0.00 175.29 171.71 1c3h s TYR 192 N -2.04 2.89 -0.14 0.91 5.04 -1.26 -4.86 117.35 117.89 1c3h s TYR 192 Ca 0.68 -0.26 0.02 0.00 -2.44 0.00 0.00 57.07 55.07 1c3h s TYR 192 Cb -0.19 -1.79 0.00 0.00 0.35 0.00 0.00 41.96 40.33 1c3h s TYR 192 CO 0.27 0.08 -0.20 -0.65 -1.34 0.00 0.00 175.55 173.71 1c3h s GLN 193 N -0.22 3.11 0.10 4.97 -1.52 -1.26 -4.76 119.66 120.09 1c3h s GLN 193 Ca 0.02 -0.82 -0.30 0.00 -1.95 0.00 0.00 55.36 52.32 1c3h s GLN 193 Cb -0.13 -2.48 -0.16 0.00 -0.22 0.00 0.00 33.01 30.02 1c3h s GLN 193 CO 0.03 0.05 0.68 0.39 -0.25 0.00 0.00 175.29 176.19 1c3h n GLU 194 N 3.92 0.00 -1.34 2.91 1.02 -1.26 -0.28 120.64 125.62 1c3h n GLU 194 Ca -0.19 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.83 1c3h n GLU 194 Cb 0.52 -1.09 -0.05 0.00 -0.02 0.00 0.00 31.44 30.80 1c3h n GLU 194 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1c3h n LYS 195 N 1.09 -0.86 -3.36 3.49 5.02 -1.26 -4.95 118.16 117.33 1c3h n LYS 195 Ca 0.17 0.90 -0.25 0.00 -2.02 0.00 0.00 58.31 57.10 1c3h n LYS 195 Cb 0.15 -4.90 -0.10 0.00 -0.02 0.00 0.00 35.03 30.17 1c3h n LYS 195 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1c3h s ASN 196 N -2.83 1.47 0.23 4.39 2.47 0.61 -5.11 114.94 116.17 1c3h s ASN 196 Ca 0.00 -2.77 -0.30 0.00 0.42 0.00 0.00 52.86 50.21 1c3h s ASN 196 Cb 0.00 -0.23 -0.09 0.00 -1.45 0.00 0.00 41.25 39.48 1c3h s ASN 196 CO 0.00 -0.19 1.28 -0.69 -3.72 0.00 0.00 177.10 173.78 1c3h s VAL 197 N 0.34 3.18 0.51 -5.21 1.01 -1.26 -4.13 120.40 114.84 1c3h s VAL 197 Ca 0.30 1.02 0.02 0.00 0.00 0.00 0.00 61.98 63.31 1c3h s VAL 197 Cb -0.02 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.70 1c3h s VAL 197 CO -0.15 0.18 0.04 -1.81 0.00 0.00 0.00 175.10 173.36 1c3h s ASP 198 N 0.08 4.18 -0.13 3.32 1.01 -1.12 -4.97 116.67 119.04 1c3h s ASP 198 Ca 0.54 -1.61 -0.01 0.00 0.71 0.00 0.00 52.55 52.18 1c3h s ASP 198 Cb -0.36 0.50 0.03 0.00 1.01 0.00 0.00 42.92 44.10 1c3h s ASP 198 CO 0.41 -0.87 -0.05 -1.10 0.21 0.00 0.00 175.17 173.76 1c3h s GLN 199 N -3.91 1.34 -0.05 8.23 -1.52 -1.26 -1.45 119.66 121.04 1c3h s GLN 199 Ca 0.09 -0.33 0.03 0.00 -1.95 0.00 0.00 55.36 53.20 1c3h s GLN 199 Cb 0.01 -1.72 -0.03 0.00 -0.22 0.00 0.00 33.01 31.06 1c3h s GLN 199 CO 0.05 -0.36 -0.11 0.00 -0.25 0.00 0.00 175.29 174.62 1c3h s ALA 200 N 1.72 2.81 0.09 6.09 0.00 -0.09 -4.94 121.76 127.43 1c3h s ALA 200 Ca 0.03 -0.96 -0.06 0.00 0.00 0.00 0.00 51.96 50.97 1c3h s ALA 200 Cb -0.14 -1.07 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1c3h s ALA 200 CO -0.08 0.57 0.14 -1.54 0.00 0.00 0.00 175.76 174.85 1c3h s SER 201 N -0.86 0.21 0.04 0.00 1.04 -1.26 0.92 113.70 113.80 1c3h s SER 201 Ca 0.12 -0.79 -0.17 0.00 0.48 0.00 0.00 55.95 55.60 1c3h s SER 201 Cb -0.11 0.31 0.03 0.00 0.10 0.00 0.00 66.02 66.36 1c3h s SER 201 CO 0.02 -0.71 0.38 -0.83 0.98 0.00 0.00 173.24 173.07 1c3h s GLY 202 N -2.90 -0.22 -0.08 7.32 0.00 -0.20 -4.98 107.32 106.26 1c3h s GLY 202 Ca 0.08 0.20 -0.28 0.00 0.00 0.00 0.00 44.72 44.72 1c3h s GLY 202 CO -0.09 -0.04 0.63 -1.35 0.00 0.00 0.00 173.10 172.25 1c3h s SER 203 N -2.03 -0.60 0.07 1.64 1.04 -1.26 -0.76 113.70 111.80 1c3h s SER 203 Ca -0.05 0.74 -0.26 0.00 0.48 0.00 0.00 55.95 56.86 1c3h s SER 203 Cb -0.01 0.65 0.09 0.00 0.10 0.00 0.00 66.02 66.84 1c3h s SER 203 CO -0.03 -0.53 0.73 0.54 0.98 0.00 0.00 173.24 174.94 1c3h s VAL 204 N -0.95 0.00 -0.13 5.02 0.11 -0.50 -5.00 120.40 118.95 1c3h s VAL 204 Ca -0.09 0.00 -0.03 0.00 -2.93 0.00 0.00 61.98 58.92 1c3h s VAL 204 Cb -0.01 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.80 1c3h s VAL 204 CO 0.08 0.00 -0.01 -0.76 -3.33 0.00 0.00 175.10 171.08 1c3h s LEU 205 N -2.53 3.47 -0.02 2.54 1.43 -1.26 -1.25 118.68 121.07 1c3h s LEU 205 Ca 0.02 0.02 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 1c3h s LEU 205 Cb -0.01 -1.82 0.02 0.00 0.03 0.00 0.00 46.19 44.40 1c3h s LEU 205 CO -0.10 0.26 -0.00 -0.76 0.23 0.00 0.00 176.35 175.97 1c3h s LEU 206 N -0.15 1.44 0.06 1.79 1.43 -0.20 -4.97 118.68 118.07 1c3h s LEU 206 Ca 0.04 -0.02 -0.27 0.00 -1.03 0.00 0.00 54.13 52.85 1c3h s LEU 206 Cb -0.13 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.88 1c3h s LEU 206 CO 0.02 -0.06 0.85 -2.28 0.23 0.00 0.00 176.35 175.11 1c3h s HIS 207 N 0.66 3.75 0.09 0.29 5.65 -1.26 -1.29 115.29 123.19 1c3h s HIS 207 Ca -0.06 1.59 0.08 0.00 0.25 0.00 0.00 55.06 56.92 1c3h s HIS 207 Cb -0.09 -2.92 -0.03 0.00 -1.18 0.00 0.00 32.58 28.35 1c3h s HIS 207 CO -0.01 0.23 -0.21 -0.51 -0.65 0.00 0.00 174.74 173.58 1c3h s LEU 208 N 0.06 2.28 0.22 8.88 1.43 0.29 -4.97 118.68 126.87 1c3h s LEU 208 Ca 0.42 -0.67 0.08 0.00 -1.03 0.00 0.00 54.13 52.94 1c3h s LEU 208 Cb -0.21 -0.89 -0.04 0.00 0.03 0.00 0.00 46.19 45.07 1c3h s LEU 208 CO 0.25 0.07 0.01 -1.61 0.23 0.00 0.00 176.35 175.31 1c3h s GLU 209 N -1.82 2.39 0.13 1.70 0.41 -1.26 -1.53 118.70 118.73 1c3h s GLU 209 Ca 0.06 -1.24 -0.34 0.00 -0.41 0.00 0.00 54.97 53.04 1c3h s GLU 209 Cb -0.10 -2.28 -0.14 0.00 -1.78 0.00 0.00 34.13 29.82 1c3h s GLU 209 CO 0.04 0.41 1.54 0.28 -0.49 0.00 0.00 175.26 177.04 1c3h n VAL 210 N -0.54 0.02 0.00 2.63 0.31 -1.26 -1.41 118.33 118.08 1c3h n VAL 210 Ca -0.08 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.24 1c3h n VAL 210 Cb 0.57 -1.41 0.00 0.00 -0.91 0.00 0.00 33.84 32.09 1c3h n VAL 210 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c3h n GLY 211 N 3.28 2.93 3.73 2.92 0.00 -0.08 -5.00 105.19 112.97 1c3h n GLY 211 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1c3h n GLY 211 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3h n ASP 212 N 0.00 3.78 -4.68 1.61 8.00 -0.50 -4.67 116.55 120.08 1c3h n ASP 212 Ca 0.00 1.11 -0.33 0.00 0.71 0.00 0.00 54.79 56.28 1c3h n ASP 212 Cb 0.00 -1.56 -0.09 0.00 -0.02 0.00 0.00 41.12 39.44 1c3h n ASP 212 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1c3h s GLN 213 N 0.16 2.86 0.00 -1.24 -0.21 -1.26 -1.27 119.66 118.70 1c3h s GLN 213 Ca 0.69 -0.53 0.02 0.00 0.02 0.00 0.00 55.36 55.56 1c3h s GLN 213 Cb -0.52 -2.71 -0.01 0.00 1.00 0.00 0.00 33.01 30.77 1c3h s GLN 213 CO 0.42 0.65 -0.07 0.08 -2.12 0.00 0.00 175.29 174.25 1c3h s VAL 214 N -1.01 0.56 0.15 1.09 1.01 -0.58 -1.51 120.40 120.12 1c3h s VAL 214 Ca 0.17 -0.44 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 1c3h s VAL 214 Cb -0.11 -0.50 0.07 0.00 0.00 0.00 0.00 36.38 35.83 1c3h s VAL 214 CO 0.07 0.06 0.76 -1.66 0.00 0.00 0.00 175.10 174.34 1c3h s TRP 215 N -0.38 -0.34 -0.13 5.22 -2.14 -0.69 -0.58 118.94 119.91 1c3h s TRP 215 Ca 0.01 0.07 -0.06 0.00 2.66 0.00 0.00 56.10 58.78 1c3h s TRP 215 Cb -0.04 0.60 -0.04 0.00 -3.10 0.00 0.00 33.47 30.89 1c3h s TRP 215 CO -0.00 -0.86 0.10 -0.51 -2.66 0.00 0.00 176.95 173.02 1c3h s LEU 216 N -2.76 4.12 -0.01 -4.66 1.43 -1.26 -0.01 118.68 115.53 1c3h s LEU 216 Ca 0.06 0.33 -0.02 0.00 -1.03 0.00 0.00 54.13 53.48 1c3h s LEU 216 Cb -0.02 -2.00 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1c3h s LEU 216 CO -0.05 0.36 0.04 -1.58 0.23 0.00 0.00 176.35 175.35 1c3h s GLN 217 N -0.71 0.08 0.26 1.70 0.74 -0.08 -0.68 119.66 120.97 1c3h s GLN 217 Ca 0.13 0.01 -0.29 0.00 0.05 0.00 0.00 55.36 55.26 1c3h s GLN 217 Cb -0.12 0.03 -0.09 0.00 1.10 0.00 0.00 33.01 33.93 1c3h s GLN 217 CO 0.03 -0.01 1.27 0.08 -0.55 0.00 0.00 175.29 176.11 1c3h s VAL 218 N -0.09 3.07 -0.02 1.34 1.01 -1.26 -0.11 120.40 124.34 1c3h s VAL 218 Ca -0.01 0.97 -0.06 0.00 0.00 0.00 0.00 61.98 62.88 1c3h s VAL 218 Cb -0.01 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.72 1c3h s VAL 218 CO 0.00 0.19 -0.12 0.00 0.00 0.00 0.00 175.10 175.17 1c3h n TYR 219 N 1.70 0.00 -2.74 5.22 9.36 0.86 -1.82 117.16 129.73 1c3h n TYR 219 Ca 0.03 0.00 -0.09 0.00 3.32 0.00 0.00 57.90 61.16 1c3h n TYR 219 Cb 0.43 -0.21 0.09 0.00 -0.63 0.00 0.00 39.34 39.02 1c3h n TYR 219 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1c3h n GLY 220 N 2.71 1.07 0.00 2.98 0.00 -1.15 -4.80 105.19 106.00 1c3h n GLY 220 Ca -0.08 -0.18 0.00 0.00 0.00 0.00 0.00 46.02 45.76 1c3h n GLY 220 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3h n ASP 221 N 0.00 0.00 -1.38 1.61 9.92 -1.26 -4.39 116.55 121.06 1c3h n ASP 221 Ca 0.04 0.00 -0.07 0.00 -0.53 0.00 0.00 54.79 54.23 1c3h n ASP 221 Cb 0.75 0.00 0.05 0.00 -0.64 0.00 0.00 41.12 41.29 1c3h n ASP 221 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1c3h n GLY 222 N 1.69 2.78 2.20 0.44 0.00 -1.26 -4.75 105.19 106.28 1c3h n GLY 222 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 1c3h n GLY 222 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3h n ASP 223 N 0.05 -3.68 -0.88 1.61 8.00 -1.26 -4.37 116.55 116.01 1c3h n ASP 223 Ca 0.18 0.25 -0.03 0.00 0.71 0.00 0.00 54.79 55.90 1c3h n ASP 223 Cb 0.83 -3.13 -0.03 0.00 -0.02 0.00 0.00 41.12 38.78 1c3h n ASP 223 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1c3h n HIS 224 N -1.75 0.00 0.00 1.24 8.25 -1.26 -4.97 115.22 116.73 1c3h n HIS 224 Ca -0.10 -0.31 0.00 0.00 -0.26 0.00 0.00 57.72 57.05 1c3h n HIS 224 Cb 0.42 0.28 0.00 0.00 1.12 0.00 0.00 29.99 31.81 1c3h n HIS 224 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1c3h n ASN 225 N 0.08 0.00 -3.15 0.41 5.03 -1.26 -4.90 115.26 111.46 1c3h n ASN 225 Ca -0.12 0.00 0.04 0.00 0.87 0.00 0.00 54.58 55.37 1c3h n ASN 225 Cb 0.71 0.00 -0.00 0.00 -1.02 0.00 0.00 39.78 39.47 1c3h n ASN 225 CO 0.00 0.00 0.00 -0.83 -1.83 0.00 0.00 177.26 174.60 1c3h s GLY 226 N 0.00 -1.19 0.56 7.41 0.00 -1.24 -4.56 107.32 108.31 1c3h s GLY 226 Ca 0.00 1.30 0.01 0.00 0.00 0.00 0.00 44.72 46.04 1c3h s GLY 226 CO 0.00 3.60 0.79 1.08 0.00 0.00 0.00 173.10 178.58 1c3h s LEU 227 N 2.84 3.25 0.01 0.66 1.43 -1.26 -3.92 118.68 121.69 1c3h s LEU 227 Ca 0.13 -0.07 -0.04 0.00 -1.03 0.00 0.00 54.13 53.11 1c3h s LEU 227 Cb -0.11 -2.75 -0.01 0.00 0.03 0.00 0.00 46.19 43.34 1c3h s LEU 227 CO -0.24 -1.21 0.07 -0.47 0.23 0.00 0.00 176.35 174.73 1c3h s TYR 228 N -2.79 0.15 -0.15 0.29 5.04 -0.53 -4.51 117.35 114.85 1c3h s TYR 228 Ca 0.58 -0.33 -0.31 0.00 -2.44 0.00 0.00 57.07 54.57 1c3h s TYR 228 Cb -0.10 -0.11 0.13 0.00 0.35 0.00 0.00 41.96 42.23 1c3h s TYR 228 CO 0.39 -0.27 1.06 0.00 -1.34 0.00 0.00 175.55 175.39 1c3h s ALA 229 N -1.61 -1.96 0.03 3.97 0.00 -1.26 -4.13 121.76 116.80 1c3h s ALA 229 Ca -0.14 1.51 -0.02 0.00 0.00 0.00 0.00 51.96 53.31 1c3h s ALA 229 Cb -0.07 -0.47 0.01 0.00 0.00 0.00 0.00 23.12 22.58 1c3h s ALA 229 CO -0.00 -0.43 0.12 -0.40 0.00 0.00 0.00 175.76 175.04 1c3h n ASP 230 N 0.35 -0.22 -0.37 0.00 5.68 -0.61 -4.85 116.55 116.53 1c3h n ASP 230 Ca -0.07 -1.13 0.30 0.00 -0.50 0.00 0.00 54.79 53.40 1c3h n ASP 230 Cb 0.59 0.36 0.57 0.00 -1.14 0.00 0.00 41.12 41.50 1c3h n ASP 230 CO 0.00 0.00 0.00 0.78 -1.33 0.00 0.00 177.20 176.65 1c3h h ASN 231 N 0.23 0.37 -0.03 -1.12 4.21 -1.96 -1.52 115.58 115.77 1c3h h ASN 231 Ca -0.03 0.18 -0.06 0.00 1.21 0.00 0.00 56.30 57.60 1c3h h ASN 231 Cb 0.14 0.15 -0.10 0.00 -1.12 0.00 0.00 38.32 37.40 1c3h h ASN 231 CO 0.04 -0.20 -0.63 1.33 -1.29 0.00 0.00 177.43 176.69 1c3h n VAL 232 N -4.93 1.75 -3.78 2.81 0.24 -1.26 -5.01 118.33 108.16 1c3h n VAL 232 Ca 0.35 -2.81 -0.13 0.00 -2.04 0.00 0.00 64.34 59.71 1c3h n VAL 232 Cb 1.21 0.00 -0.12 0.00 -1.47 0.00 0.00 33.84 33.46 1c3h n VAL 232 CO 0.00 0.00 0.00 0.20 -2.14 0.00 0.00 176.83 174.89 1c3h s ASN 233 N -3.00 -0.25 0.10 -1.34 0.01 -0.57 -5.16 114.94 104.73 1c3h s ASN 233 Ca 0.37 0.48 0.06 0.00 -0.71 0.00 0.00 52.86 53.07 1c3h s ASN 233 Cb 0.37 0.46 -0.03 0.00 0.41 0.00 0.00 41.25 42.46 1c3h s ASN 233 CO -0.09 -0.10 -0.15 -1.81 -1.51 0.00 0.00 177.10 173.44 1c3h s ASP 234 N 0.41 1.92 -0.14 -1.22 1.01 -1.26 -1.57 116.67 115.82 1c3h s ASP 234 Ca -0.02 -0.72 -0.04 0.00 0.71 0.00 0.00 52.55 52.48 1c3h s ASP 234 Cb -0.04 -0.07 0.05 0.00 1.01 0.00 0.00 42.92 43.88 1c3h s ASP 234 CO -0.02 -0.10 0.06 -0.44 0.21 0.00 0.00 175.17 174.89 1c3h s SER 235 N -2.12 2.11 0.30 0.27 0.01 -1.26 -3.80 113.70 109.21 1c3h s SER 235 Ca 0.04 -0.45 0.10 0.00 1.31 0.00 0.00 55.95 56.96 1c3h s SER 235 Cb -0.07 -0.31 -0.05 0.00 0.21 0.00 0.00 66.02 65.80 1c3h s SER 235 CO 0.03 -0.30 -0.08 0.42 0.41 0.00 0.00 173.24 173.72 1c3h s THR 236 N 2.08 2.70 -0.04 1.44 -4.23 0.17 -1.22 115.64 116.54 1c3h s THR 236 Ca 0.02 -2.14 -0.02 0.00 -1.18 0.00 0.00 61.69 58.37 1c3h s THR 236 Cb -0.15 -2.62 0.03 0.00 1.34 0.00 0.00 72.50 71.10 1c3h s THR 236 CO -0.07 -0.31 0.06 0.12 -0.54 0.00 0.00 174.62 173.89 1c3h s PHE 237 N -2.49 0.04 0.07 3.99 5.36 -0.01 -1.35 117.98 123.60 1c3h s PHE 237 Ca 0.32 0.27 0.04 0.00 -0.96 0.00 0.00 56.93 56.60 1c3h s PHE 237 Cb -0.03 -0.45 -0.03 0.00 -0.34 0.00 0.00 43.02 42.18 1c3h s PHE 237 CO 0.18 -0.18 -0.12 0.99 -1.46 0.00 0.00 175.22 174.62 1c3h s THR 238 N 2.07 0.94 -0.09 0.12 2.01 0.17 -0.78 115.64 120.09 1c3h s THR 238 Ca 0.04 -1.33 -0.30 0.00 0.31 0.00 0.00 61.69 60.41 1c3h s THR 238 Cb -0.12 -1.03 0.08 0.00 0.01 0.00 0.00 72.50 71.44 1c3h s THR 238 CO -0.03 -0.33 0.72 -0.83 -0.69 0.00 0.00 174.62 173.45 1c3h s GLY 239 N -1.86 -0.54 -0.06 4.40 0.00 -0.64 0.07 107.32 108.68 1c3h s GLY 239 Ca -0.02 1.49 -0.28 0.00 0.00 0.00 0.00 44.72 45.91 1c3h s GLY 239 CO 0.01 1.08 0.62 -0.11 0.00 0.00 0.00 173.10 174.70 1c3h s PHE 240 N -0.96 -0.59 -0.03 1.90 -0.12 0.11 -1.45 117.98 116.83 1c3h s PHE 240 Ca -0.09 1.04 -0.30 0.00 -0.05 0.00 0.00 56.93 57.53 1c3h s PHE 240 Cb -0.01 0.35 -0.05 0.00 -0.63 0.00 0.00 43.02 42.68 1c3h s PHE 240 CO 0.08 -0.55 1.41 -1.17 -0.05 0.00 0.00 175.22 174.94 1c3h s LEU 241 N -1.10 4.30 -0.12 -1.99 2.96 0.97 -1.06 118.68 122.64 1c3h s LEU 241 Ca -0.11 2.07 -0.09 0.00 -0.22 0.00 0.00 54.13 55.79 1c3h s LEU 241 Cb -0.01 -3.55 -0.03 0.00 0.50 0.00 0.00 46.19 43.09 1c3h s LEU 241 CO 0.08 -0.75 -0.18 -0.11 -1.32 0.00 0.00 176.35 174.08 1c3h n LEU 242 N 5.72 1.49 -3.90 -0.68 0.00 0.32 -4.83 117.00 115.12 1c3h n LEU 242 Ca 0.14 0.50 -0.28 0.00 0.00 0.00 0.00 56.01 56.37 1c3h n LEU 242 Cb 0.44 -0.78 -0.17 0.00 0.00 0.00 0.00 43.42 42.91 1c3h n LEU 242 CO 0.59 -0.44 -0.43 -0.31 0.00 0.00 0.00 177.39 176.79 1c3h s TYR 243 N -2.13 1.63 0.62 1.96 2.02 -1.06 -4.97 117.35 115.42 1c3h s TYR 243 Ca -0.15 -0.97 -0.15 0.00 -0.37 0.00 0.00 57.07 55.43 1c3h s TYR 243 Cb 0.02 -1.29 -0.02 0.00 -0.40 0.00 0.00 41.96 40.27 1c3h s TYR 243 CO 0.22 -0.58 1.07 -3.38 -1.57 0.00 0.00 175.55 171.30 1c3h s HIS 244 N 1.66 2.94 0.26 2.71 -3.43 -1.26 -0.60 115.29 117.56 1c3h s HIS 244 Ca 0.02 1.51 -0.30 0.00 -0.80 0.00 0.00 55.06 55.49 1c3h s HIS 244 Cb -0.14 -3.02 -0.09 0.00 -1.43 0.00 0.00 32.58 27.90 1c3h s HIS 244 CO -0.08 -1.23 1.06 -0.51 -2.00 0.00 0.00 174.74 171.98 1c3h s ASP 245 N -2.89 7.36 -0.77 7.38 1.01 0.17 -4.86 116.67 124.07 1c3h s ASP 245 Ca 0.63 2.17 -0.06 0.00 0.71 0.00 0.00 52.55 56.00 1c3h s ASP 245 Cb -0.16 -2.62 0.20 0.00 1.01 0.00 0.00 42.92 41.34 1c3h s ASP 245 CO 0.40 -0.08 0.65 0.42 0.21 0.00 0.00 175.17 176.78 1c3h s THR 246 N -1.06 4.56 0.00 -1.27 -4.23 -1.26 -4.96 115.64 107.42 1c3h s THR 246 Ca 0.44 -3.04 0.00 0.00 -1.18 0.00 0.00 61.69 57.91 1c3h s THR 246 Cb -0.30 -3.87 0.00 0.00 1.34 0.00 0.00 72.50 69.67 1c3h s THR 246 CO 0.38 -0.99 0.00 -0.46 -0.54 0.00 0.00 174.62 173.01