#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qa2 h SER 114 N 0.00 0.12 -0.52 2.98 4.64 -2.05 0.41 113.55 119.13 1qa2 h SER 114 Ca 0.00 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.50 1qa2 h SER 114 Cb 0.00 0.18 -0.03 0.00 -0.31 0.00 0.00 62.40 62.24 1qa2 h SER 114 CO 0.00 -0.04 0.31 0.40 -0.87 0.00 0.00 176.83 176.63 1qa2 h ILE 115 N 0.31 1.06 -0.06 0.95 1.08 -2.06 0.65 117.51 119.44 1qa2 h ILE 115 Ca 0.48 -0.21 -0.02 0.00 -0.39 0.00 0.00 64.86 64.72 1qa2 h ILE 115 Cb 0.87 0.39 -0.00 0.00 -3.07 0.00 0.00 36.82 35.00 1qa2 h ILE 115 CO -0.53 0.11 -0.03 -0.08 -0.69 0.00 0.00 178.15 176.93 1qa2 h GLU 116 N 0.62 0.12 -0.61 2.37 4.81 -1.43 -3.00 114.58 117.46 1qa2 h GLU 116 Ca 0.21 -0.05 0.04 0.00 -0.13 0.00 0.00 59.36 59.43 1qa2 h GLU 116 Cb 0.01 -0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.34 1qa2 h GLU 116 CO -0.09 0.49 0.35 0.00 -0.73 0.00 0.00 179.01 179.03 1qa2 h ALA 117 N 0.62 0.80 -0.12 2.92 0.00 -0.11 -1.63 119.26 121.75 1qa2 h ALA 117 Ca 0.01 0.00 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1qa2 h ALA 117 Cb 0.46 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1qa2 h ALA 117 CO 0.01 0.05 0.11 -0.44 0.00 0.00 0.00 179.25 178.98 1qa2 h ASP 118 N 0.67 0.00 0.04 0.00 3.32 -0.85 -2.30 116.42 117.30 1qa2 h ASP 118 Ca 0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.31 1qa2 h ASP 118 Cb 0.11 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.66 1qa2 h ASP 118 CO -0.14 0.00 -1.18 0.29 -1.72 0.00 0.00 179.24 176.49 1qa2 n LYS 119 N -4.00 0.14 0.00 3.56 5.02 -0.69 -4.55 118.16 117.63 1qa2 n LYS 119 Ca -0.00 -0.04 0.04 0.00 -2.02 0.00 0.00 58.31 56.29 1qa2 n LYS 119 Cb 0.23 -1.51 -0.01 0.00 -0.02 0.00 0.00 35.03 33.72 1qa2 n LYS 119 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 1qa2 n LYS 120 N -1.67 2.47 -4.24 1.97 2.85 -0.72 -5.02 118.16 113.80 1qa2 n LYS 120 Ca 0.02 -0.48 -0.30 0.00 -1.05 0.00 0.00 58.31 56.51 1qa2 n LYS 120 Cb 0.38 -1.00 -0.10 0.00 -0.65 0.00 0.00 35.03 33.66 1qa2 n LYS 120 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 177.40 177.29 1qa2 s PHE 121 N -1.26 2.79 0.11 5.58 0.08 -1.00 -5.08 117.98 119.22 1qa2 s PHE 121 Ca 0.06 -0.12 -0.30 0.00 0.12 0.00 0.00 56.93 56.69 1qa2 s PHE 121 Cb 0.06 -1.47 -0.07 0.00 -0.57 0.00 0.00 43.02 40.98 1qa2 s PHE 121 CO 0.22 0.43 1.18 0.21 -0.10 0.00 0.00 175.22 177.15 1qa2 s LYS 122 N -2.13 4.48 -0.02 0.44 2.47 -1.26 -4.96 119.74 118.75 1qa2 s LYS 122 Ca 0.22 1.78 -0.24 0.00 -1.56 0.00 0.00 55.97 56.17 1qa2 s LYS 122 Cb -0.11 -3.31 -0.04 0.00 -1.46 0.00 0.00 37.83 32.91 1qa2 s LYS 122 CO 0.14 -0.15 0.72 0.71 0.16 0.00 0.00 175.35 176.93 1qa2 s TYR 123 N 0.54 3.64 -0.28 4.03 2.02 -1.26 -5.04 117.35 121.00 1qa2 s TYR 123 Ca 0.55 1.33 -0.23 0.00 -0.37 0.00 0.00 57.07 58.36 1qa2 s TYR 123 Cb -0.30 -2.80 0.09 0.00 -0.40 0.00 0.00 41.96 38.55 1qa2 s TYR 123 CO 0.32 0.17 0.82 0.45 -1.57 0.00 0.00 175.55 175.73 1qa2 s SER 124 N 0.45 -0.69 0.19 2.29 0.15 -1.26 -1.69 113.70 113.14 1qa2 s SER 124 Ca 0.38 1.26 0.08 0.00 0.70 0.00 0.00 55.95 58.37 1qa2 s SER 124 Cb -0.19 1.28 -0.04 0.00 -1.71 0.00 0.00 66.02 65.36 1qa2 s SER 124 CO 0.20 -0.21 -0.03 0.68 1.20 0.00 0.00 173.24 175.07 1qa2 s VAL 125 N 0.66 3.51 -0.00 4.45 -7.23 -1.00 -4.97 120.40 115.82 1qa2 s VAL 125 Ca -0.02 -1.56 0.06 0.00 -1.81 0.00 0.00 61.98 58.65 1qa2 s VAL 125 Cb -0.05 -2.77 -0.02 0.00 0.56 0.00 0.00 36.38 34.11 1qa2 s VAL 125 CO -0.06 -0.14 -0.18 -1.59 -0.31 0.00 0.00 175.10 172.82 1qa2 s LYS 126 N -2.99 1.41 0.51 4.82 -2.85 -1.26 -0.75 119.74 118.63 1qa2 s LYS 126 Ca 0.27 -0.68 0.23 0.00 -1.00 0.00 0.00 55.97 54.79 1qa2 s LYS 126 Cb -0.09 -1.39 1.32 0.00 -2.06 0.00 0.00 37.83 35.62 1qa2 s LYS 126 CO 0.18 0.38 1.99 1.25 0.10 0.00 0.00 175.35 179.24 1qa2 h LEU 127 N 5.55 0.08 -2.87 2.77 5.85 -1.55 -1.77 115.31 123.36 1qa2 h LEU 127 Ca -0.38 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.35 1qa2 h LEU 127 Cb 1.15 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 42.17 1qa2 h LEU 127 CO 0.47 0.04 0.02 0.77 -0.34 0.00 0.00 178.44 179.40 1qa2 h SER 128 N 0.08 0.00 0.24 1.25 4.64 -1.90 -0.78 113.55 117.08 1qa2 h SER 128 Ca 0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.58 1qa2 h SER 128 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1qa2 h SER 128 CO -0.02 0.00 -0.19 0.47 -0.87 0.00 0.00 176.83 176.22 1qa2 n ASP 129 N -3.03 0.93 -4.29 4.97 8.00 -0.66 -4.92 116.55 117.55 1qa2 n ASP 129 Ca -0.03 -0.88 -0.19 0.00 0.71 0.00 0.00 54.79 54.40 1qa2 n ASP 129 Cb 0.08 0.07 -0.11 0.00 -0.02 0.00 0.00 41.12 41.14 1qa2 n ASP 129 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1qa2 s TYR 130 N -2.43 1.56 0.04 1.24 2.02 -0.30 -5.05 117.35 114.43 1qa2 s TYR 130 Ca 0.27 -0.55 -0.13 0.00 -0.37 0.00 0.00 57.07 56.29 1qa2 s TYR 130 Cb 0.20 -0.78 -0.33 0.00 -0.40 0.00 0.00 41.96 40.64 1qa2 s TYR 130 CO 0.49 0.23 1.04 -1.00 -1.57 0.00 0.00 175.55 174.74 1qa2 h PRO 131 N 3.20 0.49 -5.68 -1.71 0.13 -1.91 -3.47 132.00 123.04 1qa2 h PRO 131 Ca -0.40 -0.82 -0.52 0.00 -0.87 0.00 0.00 66.00 63.40 1qa2 h PRO 131 Cb 1.20 0.30 -0.14 0.00 0.13 0.00 0.00 31.00 32.49 1qa2 h PRO 131 CO 0.54 1.39 -0.70 0.95 -0.23 0.00 0.00 178.00 179.94 1qa2 s THR 132 N -2.65 1.87 0.23 1.56 -4.23 -1.26 -5.04 115.64 106.12 1qa2 s THR 132 Ca -0.08 -2.20 -0.00 0.00 -1.18 0.00 0.00 61.69 58.23 1qa2 s THR 132 Cb 0.05 -2.34 0.00 0.00 1.34 0.00 0.00 72.50 71.55 1qa2 s THR 132 CO 0.93 -0.38 1.61 0.25 -0.54 0.00 0.00 174.62 176.49 1qa2 h LEU 133 N 2.32 0.54 -0.81 4.79 5.85 -1.96 -2.92 115.31 123.12 1qa2 h LEU 133 Ca -0.40 -0.24 -0.03 0.00 0.84 0.00 0.00 57.88 58.06 1qa2 h LEU 133 Cb 1.24 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 42.08 1qa2 h LEU 133 CO 0.65 0.88 0.41 -0.61 -0.34 0.00 0.00 178.44 179.43 1qa2 h GLN 134 N 0.42 1.15 -0.44 1.25 5.75 -1.96 -0.08 115.11 121.21 1qa2 h GLN 134 Ca 0.04 -0.16 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 1qa2 h GLN 134 Cb 0.89 -0.21 -0.02 0.00 1.07 0.00 0.00 27.48 29.20 1qa2 h GLN 134 CO 0.08 0.88 0.28 -0.44 -2.65 0.00 0.00 178.83 176.98 1qa2 h ASP 135 N 1.14 0.51 -0.48 -0.69 3.45 -1.94 0.15 116.42 118.56 1qa2 h ASP 135 Ca 0.28 -0.02 -0.01 0.00 0.43 0.00 0.00 57.03 57.71 1qa2 h ASP 135 Cb 0.09 -0.13 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 1qa2 h ASP 135 CO -0.04 0.38 0.26 0.00 -1.57 0.00 0.00 179.24 178.27 1qa2 h ALA 136 N 1.15 0.62 -0.75 3.45 0.00 -1.32 -2.31 119.26 120.10 1qa2 h ALA 136 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1qa2 h ALA 136 Cb -0.05 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.50 1qa2 h ALA 136 CO -0.03 0.15 0.48 0.00 0.00 0.00 0.00 179.25 179.84 1qa2 h ALA 137 N 1.10 0.98 -0.22 0.00 0.00 -0.49 -1.33 119.26 119.30 1qa2 h ALA 137 Ca 0.17 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.98 1qa2 h ALA 137 Cb 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1qa2 h ALA 137 CO -0.03 0.28 -0.15 0.77 0.00 0.00 0.00 179.25 180.13 1qa2 h SER 138 N 0.94 0.35 1.61 0.00 0.02 -0.43 -2.95 113.55 113.08 1qa2 h SER 138 Ca 0.30 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 61.10 1qa2 h SER 138 Cb -0.00 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.44 1qa2 h SER 138 CO -0.10 0.53 -0.40 0.00 -1.14 0.00 0.00 176.83 175.71 1qa2 h ALA 139 N 1.51 0.79 -2.98 3.77 0.00 -0.92 -3.47 119.26 117.95 1qa2 h ALA 139 Ca 0.06 -0.28 -0.54 0.00 0.00 0.00 0.00 54.91 54.15 1qa2 h ALA 139 Cb 0.47 -0.02 0.12 0.00 0.00 0.00 0.00 17.79 18.36 1qa2 h ALA 139 CO 0.03 0.37 0.73 0.00 0.00 0.00 0.00 179.25 180.37 1qa2 s ALA 140 N -3.08 3.31 0.00 0.00 0.00 -0.55 -4.94 121.76 116.50 1qa2 s ALA 140 Ca 0.04 1.52 0.00 0.00 0.00 0.00 0.00 51.96 53.52 1qa2 s ALA 140 Cb 0.07 -3.61 0.00 0.00 0.00 0.00 0.00 23.12 19.58 1qa2 s ALA 140 CO 0.72 -1.20 0.00 0.28 0.00 0.00 0.00 175.76 175.56 1qa2 n VAL 141 N -0.09 0.00 0.02 0.00 0.31 -1.26 -5.02 118.33 112.29 1qa2 n VAL 141 Ca 0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.37 1qa2 n VAL 141 Cb 0.41 -0.87 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 1qa2 n VAL 141 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1qa2 n ASP 142 N -2.62 0.03 -4.89 4.52 4.64 -1.26 -4.81 116.55 112.15 1qa2 n ASP 142 Ca 0.00 0.06 -0.22 0.00 -1.38 0.00 0.00 54.79 53.25 1qa2 n ASP 142 Cb 0.42 0.03 -0.03 0.00 -1.04 0.00 0.00 41.12 40.49 1qa2 n ASP 142 CO 0.00 0.00 0.00 -0.83 -0.82 0.00 0.00 177.20 175.55 1qa2 s GLY 143 N -3.83 1.34 -0.12 0.27 0.00 -0.68 -1.17 107.32 103.13 1qa2 s GLY 143 Ca 0.00 -1.32 -0.04 0.00 0.00 0.00 0.00 44.72 43.36 1qa2 s GLY 143 CO 0.00 -1.35 0.20 -2.27 0.00 0.00 0.00 173.10 169.69 1qa2 s LEU 144 N -3.86 -0.14 -0.21 0.66 2.96 -0.62 -2.37 118.68 115.10 1qa2 s LEU 144 Ca 0.33 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.47 1qa2 s LEU 144 Cb -0.09 0.41 -0.03 0.00 0.50 0.00 0.00 46.19 46.99 1qa2 s LEU 144 CO 0.27 -0.26 0.06 -0.22 -1.32 0.00 0.00 176.35 174.88 1qa2 s LEU 145 N 2.34 3.57 -0.69 -0.68 2.96 0.08 -0.86 118.68 125.40 1qa2 s LEU 145 Ca 0.03 -0.09 -0.18 0.00 -0.22 0.00 0.00 54.13 53.67 1qa2 s LEU 145 Cb -0.13 -1.93 0.12 0.00 0.50 0.00 0.00 46.19 44.76 1qa2 s LEU 145 CO -0.08 0.07 0.80 -0.63 -1.32 0.00 0.00 176.35 175.19 1qa2 s ILE 146 N 1.01 4.90 -1.31 6.68 -1.09 0.20 -1.24 121.20 130.35 1qa2 s ILE 146 Ca 0.04 -1.29 0.14 0.00 -2.23 0.00 0.00 60.65 57.31 1qa2 s ILE 146 Cb -0.14 -4.55 0.38 0.00 -1.58 0.00 0.00 42.46 36.57 1qa2 s ILE 146 CO 0.03 -1.20 1.30 -0.90 -1.23 0.00 0.00 174.94 172.94 1qa2 n ASP 147 N 6.08 3.14 -3.78 3.58 5.75 -1.26 -0.66 116.55 129.40 1qa2 n ASP 147 Ca 0.00 -1.96 -0.13 0.00 -0.01 0.00 0.00 54.79 52.69 1qa2 n ASP 147 Cb 0.44 -0.28 -0.10 0.00 -1.03 0.00 0.00 41.12 40.16 1qa2 n ASP 147 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1qa2 s ARG 148 N -1.03 0.54 0.39 0.11 1.70 -1.26 -4.84 118.95 114.55 1qa2 s ARG 148 Ca 0.30 -0.04 -0.27 0.00 -0.47 0.00 0.00 55.73 55.24 1qa2 s ARG 148 Cb 0.16 0.24 -0.11 0.00 -0.57 0.00 0.00 34.95 34.67 1qa2 s ARG 148 CO 0.21 -0.13 1.45 -0.25 -1.08 0.00 0.00 175.30 175.50 1qa2 n ASP 149 N 1.81 3.56 -3.92 -2.89 10.43 -1.26 -4.58 116.55 119.69 1qa2 n ASP 149 Ca -0.19 1.21 -0.27 0.00 2.57 0.00 0.00 54.79 58.10 1qa2 n ASP 149 Cb 0.56 -1.60 -0.17 0.00 1.84 0.00 0.00 41.12 41.76 1qa2 n ASP 149 CO 0.00 0.00 0.00 -0.47 -1.07 0.00 0.00 177.20 175.66 1qa2 s TYR 150 N -1.13 1.60 -0.24 1.24 6.14 0.49 -4.95 117.35 120.50 1qa2 s TYR 150 Ca 0.55 -0.83 -0.21 0.00 0.64 0.00 0.00 57.07 57.22 1qa2 s TYR 150 Cb -0.48 -1.29 -0.02 0.00 0.42 0.00 0.00 41.96 40.58 1qa2 s TYR 150 CO 0.63 -0.54 0.65 -0.80 0.64 0.00 0.00 175.55 176.13 1qa2 s ASN 151 N 1.67 6.64 0.22 4.32 0.01 -1.26 -0.35 114.94 126.19 1qa2 s ASN 151 Ca 0.05 0.79 0.09 0.00 -0.71 0.00 0.00 52.86 53.07 1qa2 s ASN 151 Cb -0.13 -2.35 -0.04 0.00 0.41 0.00 0.00 41.25 39.14 1qa2 s ASN 151 CO -0.09 -0.36 -0.00 0.72 -1.51 0.00 0.00 177.10 175.86 1qa2 s PHE 152 N 2.38 2.77 0.09 2.20 -0.12 0.07 -4.94 117.98 120.43 1qa2 s PHE 152 Ca 0.28 -0.18 -0.02 0.00 -0.05 0.00 0.00 56.93 56.96 1qa2 s PHE 152 Cb -0.16 -1.28 -0.05 0.00 -0.63 0.00 0.00 43.02 40.91 1qa2 s PHE 152 CO 0.09 0.56 0.27 1.52 -0.05 0.00 0.00 175.22 177.61 1qa2 s TYR 153 N -2.02 3.50 0.09 3.49 -0.85 -1.26 -4.51 117.35 115.80 1qa2 s TYR 153 Ca 0.29 0.35 -0.32 0.00 -0.52 0.00 0.00 57.07 56.87 1qa2 s TYR 153 Cb -0.08 -1.84 -0.12 0.00 0.38 0.00 0.00 41.96 40.30 1qa2 s TYR 153 CO 0.19 0.53 1.79 0.41 -1.52 0.00 0.00 175.55 176.95 1qa2 n GLY 154 N 0.18 1.51 0.37 5.49 0.00 -1.25 -1.22 105.19 110.27 1qa2 n GLY 154 Ca -0.04 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.71 1qa2 n GLY 154 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 155 N 4.07 0.46 3.67 -0.02 0.00 0.10 -4.86 105.19 108.62 1qa2 n GLY 155 Ca 0.19 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1qa2 n GLY 155 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1qa2 n GLU 156 N -2.00 2.65 -4.72 1.61 2.13 -0.36 -4.76 120.64 115.20 1qa2 n GLU 156 Ca 0.00 0.97 -0.33 0.00 0.66 0.00 0.00 57.16 58.46 1qa2 n GLU 156 Cb 0.00 -2.88 -0.14 0.00 0.27 0.00 0.00 31.44 28.70 1qa2 n GLU 156 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1qa2 s THR 157 N 3.79 3.22 -0.13 6.31 2.01 -1.26 -0.56 115.64 129.02 1qa2 s THR 157 Ca 0.88 -0.61 -0.00 0.00 0.31 0.00 0.00 61.69 62.27 1qa2 s THR 157 Cb -0.52 -2.35 -0.01 0.00 0.01 0.00 0.00 72.50 69.62 1qa2 s THR 157 CO 0.43 0.53 -0.13 -0.69 -0.69 0.00 0.00 174.62 174.07 1qa2 s VAL 158 N 0.18 3.01 -0.32 3.82 1.01 0.81 -4.93 120.40 123.98 1qa2 s VAL 158 Ca -0.06 -0.68 -0.09 0.00 0.00 0.00 0.00 61.98 61.15 1qa2 s VAL 158 Cb -0.15 -2.26 0.00 0.00 0.00 0.00 0.00 36.38 33.97 1qa2 s VAL 158 CO 0.05 0.52 0.15 -0.62 0.00 0.00 0.00 175.10 175.20 1qa2 s ASP 159 N 0.37 5.51 -0.03 3.32 3.68 -1.26 -0.69 116.67 127.57 1qa2 s ASP 159 Ca -0.11 -0.62 0.10 0.00 2.13 0.00 0.00 52.55 54.06 1qa2 s ASP 159 Cb -0.16 -1.99 0.35 0.00 -1.45 0.00 0.00 42.92 39.67 1qa2 s ASP 159 CO 0.06 -0.22 1.24 0.49 0.13 0.00 0.00 175.17 176.87 1qa2 n PHE 160 N 4.97 0.63 -1.86 -5.34 3.01 -0.67 -4.70 117.46 113.49 1qa2 n PHE 160 Ca -0.14 -0.28 -0.16 0.00 1.01 0.00 0.00 57.45 57.89 1qa2 n PHE 160 Cb 0.48 -0.07 -0.04 0.00 -0.01 0.00 0.00 39.48 39.84 1qa2 n PHE 160 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1qa2 n GLY 161 N 0.92 0.68 2.33 1.37 0.00 -1.20 -1.76 105.19 107.53 1qa2 n GLY 161 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 1qa2 n GLY 161 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 162 N -0.55 0.42 3.77 -0.02 0.00 0.11 -5.00 105.19 103.93 1qa2 n GLY 162 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.47 1qa2 n GLY 162 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1qa2 s LYS 163 N -0.44 4.41 -0.70 1.61 1.02 -0.72 -3.64 119.74 121.28 1qa2 s LYS 163 Ca 0.00 1.61 -0.21 0.00 0.02 0.00 0.00 55.97 57.39 1qa2 s LYS 163 Cb 0.00 -2.84 0.10 0.00 -0.52 0.00 0.00 37.83 34.56 1qa2 s LYS 163 CO 0.00 0.06 0.92 0.08 -0.92 0.00 0.00 175.35 175.49 1qa2 s VAL 164 N -1.44 4.57 0.15 3.17 1.01 -1.26 -0.28 120.40 126.33 1qa2 s VAL 164 Ca 0.51 -0.84 0.07 0.00 0.00 0.00 0.00 61.98 61.72 1qa2 s VAL 164 Cb -0.26 -4.65 -0.04 0.00 0.00 0.00 0.00 36.38 31.44 1qa2 s VAL 164 CO 0.33 -1.37 -0.01 -0.76 0.00 0.00 0.00 175.10 173.29 1qa2 s LEU 165 N 3.31 3.31 -0.36 3.92 1.43 -1.26 -4.75 118.68 124.28 1qa2 s LEU 165 Ca 0.21 -0.36 -0.04 0.00 -1.03 0.00 0.00 54.13 52.91 1qa2 s LEU 165 Cb -0.16 -1.99 0.07 0.00 0.03 0.00 0.00 46.19 44.14 1qa2 s LEU 165 CO 0.05 0.11 0.12 -0.89 0.23 0.00 0.00 176.35 175.97 1qa2 s THR 166 N -1.61 3.45 -0.33 5.49 2.01 -0.32 -1.97 115.64 122.36 1qa2 s THR 166 Ca 0.27 -1.51 -0.15 0.00 0.31 0.00 0.00 61.69 60.61 1qa2 s THR 166 Cb -0.10 -3.10 -0.02 0.00 0.01 0.00 0.00 72.50 69.30 1qa2 s THR 166 CO 0.18 -0.34 0.34 -0.63 -0.69 0.00 0.00 174.62 173.48 1qa2 s ILE 167 N 1.28 5.19 -0.27 1.82 1.01 0.87 -1.59 121.20 129.52 1qa2 s ILE 167 Ca 0.01 0.08 -0.08 0.00 0.00 0.00 0.00 60.65 60.66 1qa2 s ILE 167 Cb -0.21 -3.78 -0.02 0.00 0.01 0.00 0.00 42.46 38.46 1qa2 s ILE 167 CO -0.01 -0.04 0.10 -0.70 0.00 0.00 0.00 174.94 174.29 1qa2 s GLU 168 N 1.98 3.56 -0.22 2.79 2.12 -0.04 -0.57 118.70 128.32 1qa2 s GLU 168 Ca 0.11 -0.55 -0.09 0.00 0.36 0.00 0.00 54.97 54.80 1qa2 s GLU 168 Cb -0.17 -3.40 -0.04 0.00 0.26 0.00 0.00 34.13 30.78 1qa2 s GLU 168 CO 0.11 -0.26 0.11 0.00 -0.54 0.00 0.00 175.26 174.69 1qa2 n LYS 170 N 4.02 0.75 -3.98 0.00 5.02 0.17 -4.64 118.16 119.50 1qa2 n LYS 170 Ca -0.16 -1.72 -0.13 0.00 -2.02 0.00 0.00 58.31 54.29 1qa2 n LYS 170 Cb 0.52 -0.98 -0.01 0.00 -0.02 0.00 0.00 35.03 34.54 1qa2 n LYS 170 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1qa2 s ALA 171 N -1.36 0.28 0.18 7.82 0.00 -1.10 -4.81 121.76 122.77 1qa2 s ALA 171 Ca 0.14 -1.28 0.04 0.00 0.00 0.00 0.00 51.96 50.86 1qa2 s ALA 171 Cb 0.13 0.97 -0.04 0.00 0.00 0.00 0.00 23.12 24.18 1qa2 s ALA 171 CO 0.01 -0.86 0.24 0.15 0.00 0.00 0.00 175.76 175.30 1qa2 s LYS 172 N -2.61 3.21 -0.31 0.00 1.02 -1.26 -4.36 119.74 115.44 1qa2 s LYS 172 Ca 0.25 -0.77 -0.06 0.00 0.02 0.00 0.00 55.97 55.41 1qa2 s LYS 172 Cb -0.02 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.50 1qa2 s LYS 172 CO 0.18 0.48 0.08 -0.06 -0.92 0.00 0.00 175.35 175.10 1qa2 s PHE 173 N -1.84 3.18 -0.17 3.18 0.08 -0.55 -0.38 117.98 121.48 1qa2 s PHE 173 Ca 0.33 -1.18 -0.03 0.00 0.12 0.00 0.00 56.93 56.17 1qa2 s PHE 173 Cb -0.10 -2.24 -0.02 0.00 -0.57 0.00 0.00 43.02 40.09 1qa2 s PHE 173 CO 0.27 -0.64 -0.06 0.42 -0.10 0.00 0.00 175.22 175.11 1qa2 s ILE 174 N 1.45 3.60 0.00 0.64 1.01 0.53 -2.04 121.20 126.39 1qa2 s ILE 174 Ca 0.01 -0.45 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1qa2 s ILE 174 Cb -0.18 -2.58 0.00 0.00 0.01 0.00 0.00 42.46 39.71 1qa2 s ILE 174 CO 0.02 0.48 0.00 0.61 0.00 0.00 0.00 174.94 176.05 1qa2 n GLY 175 N 3.85 2.81 3.86 6.18 0.00 -0.31 -0.75 105.19 120.82 1qa2 n GLY 175 Ca -0.18 -0.69 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 1qa2 n GLY 175 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qa2 s ASP 176 N 0.00 6.71 0.00 1.61 -0.00 -1.26 -4.07 116.67 119.66 1qa2 s ASP 176 Ca 0.00 0.88 0.00 0.00 -0.00 0.00 0.00 52.55 53.43 1qa2 s ASP 176 Cb 0.00 -2.21 0.00 0.00 -0.00 0.00 0.00 42.92 40.71 1qa2 s ASP 176 CO 0.00 0.20 0.00 0.61 -0.00 0.00 0.00 175.17 175.98 1qa2 n GLY 177 N 1.12 -1.69 3.69 0.21 0.00 0.24 -3.85 105.19 104.91 1qa2 n GLY 177 Ca -0.09 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.53 1qa2 n GLY 177 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qa2 s ASN 178 N -4.00 5.45 -0.29 1.61 -0.87 -1.26 -0.86 114.94 114.71 1qa2 s ASN 178 Ca 0.00 0.16 -0.07 0.00 -1.57 0.00 0.00 52.86 51.38 1qa2 s ASN 178 Cb 0.00 -1.69 0.01 0.00 -0.02 0.00 0.00 41.25 39.55 1qa2 s ASN 178 CO 0.00 0.33 0.08 -0.22 -2.57 0.00 0.00 177.10 174.72 1qa2 s LEU 179 N -0.55 3.84 -0.25 0.60 2.96 -0.18 0.03 118.68 125.13 1qa2 s LEU 179 Ca 0.10 -0.67 -0.09 0.00 -0.22 0.00 0.00 54.13 53.25 1qa2 s LEU 179 Cb -0.12 -1.89 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1qa2 s LEU 179 CO 0.02 -0.18 0.13 -0.63 -1.32 0.00 0.00 176.35 174.36 1qa2 s ILE 180 N 1.51 4.91 -0.23 6.68 1.01 0.28 -0.92 121.20 134.45 1qa2 s ILE 180 Ca 0.03 0.03 -0.08 0.00 0.00 0.00 0.00 60.65 60.62 1qa2 s ILE 180 Cb -0.17 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 38.96 1qa2 s ILE 180 CO 0.03 0.33 0.10 -0.36 0.00 0.00 0.00 174.94 175.03 1qa2 s PHE 181 N 1.39 3.20 0.21 3.97 0.40 -0.05 -0.14 117.98 126.97 1qa2 s PHE 181 Ca 0.06 -0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.39 1qa2 s PHE 181 Cb -0.15 -2.20 -0.05 0.00 0.51 0.00 0.00 43.02 41.13 1qa2 s PHE 181 CO 0.06 -0.07 -0.05 0.95 0.70 0.00 0.00 175.22 176.81 1qa2 s THR 182 N 1.07 1.23 -1.44 0.64 -4.23 0.13 -1.68 115.64 111.36 1qa2 s THR 182 Ca 0.05 -2.07 -0.04 0.00 -1.18 0.00 0.00 61.69 58.45 1qa2 s THR 182 Cb -0.14 -2.21 0.03 0.00 1.34 0.00 0.00 72.50 71.53 1qa2 s THR 182 CO 0.04 -0.45 0.61 0.29 -0.54 0.00 0.00 174.62 174.56 1qa2 n LYS 183 N -0.38 -3.97 -3.32 3.99 5.02 -1.26 -1.67 118.16 116.56 1qa2 n LYS 183 Ca -0.07 0.48 -0.38 0.00 -2.02 0.00 0.00 58.31 56.32 1qa2 n LYS 183 Cb 0.63 -4.89 -0.06 0.00 -0.02 0.00 0.00 35.03 30.69 1qa2 n LYS 183 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1qa2 s LEU 184 N -6.98 4.49 0.61 -0.35 1.43 -1.26 0.07 118.68 116.70 1qa2 s LEU 184 Ca 0.18 1.16 -0.15 0.00 -1.03 0.00 0.00 54.13 54.30 1qa2 s LEU 184 Cb -0.10 -2.82 -0.03 0.00 0.03 0.00 0.00 46.19 43.28 1qa2 s LEU 184 CO 0.87 0.26 1.07 -0.83 0.23 0.00 0.00 176.35 177.94 1qa2 s GLY 185 N -0.92 2.09 0.16 -3.19 0.00 0.62 -4.62 107.32 101.45 1qa2 s GLY 185 Ca 0.28 0.39 -0.32 0.00 0.00 0.00 0.00 44.72 45.07 1qa2 s GLY 185 CO 0.17 0.72 1.77 1.17 0.00 0.00 0.00 173.10 176.93 1qa2 n LYS 186 N -2.20 2.71 0.00 2.90 4.81 -1.25 -1.68 118.16 123.44 1qa2 n LYS 186 Ca 0.09 0.98 0.00 0.00 -0.87 0.00 0.00 58.31 58.51 1qa2 n LYS 186 Cb 0.53 -2.84 0.00 0.00 0.02 0.00 0.00 35.03 32.73 1qa2 n LYS 186 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1qa2 n GLY 187 N 4.05 0.57 3.77 3.14 0.00 0.50 -4.85 105.19 112.37 1qa2 n GLY 187 Ca 0.17 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.83 1qa2 n GLY 187 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1qa2 s SER 188 N -2.17 6.02 -0.01 1.61 0.01 -0.68 -4.82 113.70 113.66 1qa2 s SER 188 Ca 0.00 2.25 0.03 0.00 1.31 0.00 0.00 55.95 59.54 1qa2 s SER 188 Cb 0.00 -2.59 -0.00 0.00 0.21 0.00 0.00 66.02 63.63 1qa2 s SER 188 CO 0.00 -1.02 -0.09 -0.13 0.41 0.00 0.00 173.24 172.41 1qa2 s ARG 189 N -2.91 0.80 -0.17 12.44 0.52 -0.83 -1.96 118.95 126.84 1qa2 s ARG 189 Ca 0.67 -0.31 0.01 0.00 -0.52 0.00 0.00 55.73 55.58 1qa2 s ARG 189 Cb -0.27 -0.76 0.02 0.00 0.52 0.00 0.00 34.95 34.46 1qa2 s ARG 189 CO 0.32 0.16 -0.18 0.42 0.02 0.00 0.00 175.30 176.04 1qa2 s ILE 190 N -0.06 1.85 -0.04 1.52 1.01 -0.28 -0.09 121.20 125.10 1qa2 s ILE 190 Ca 0.01 -0.81 0.06 0.00 0.00 0.00 0.00 60.65 59.91 1qa2 s ILE 190 Cb -0.05 -1.69 -0.01 0.00 0.01 0.00 0.00 42.46 40.71 1qa2 s ILE 190 CO -0.00 0.51 -0.22 0.00 0.00 0.00 0.00 174.94 175.23 1qa2 s ALA 191 N 1.36 1.86 -0.19 9.38 0.00 0.27 -0.17 121.76 134.25 1qa2 s ALA 191 Ca 0.05 -0.90 0.00 0.00 0.00 0.00 0.00 51.96 51.11 1qa2 s ALA 191 Cb -0.13 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1qa2 s ALA 191 CO -0.12 0.38 0.00 0.41 0.00 0.00 0.00 175.76 176.43 1qa2 n GLY 192 N 2.91 0.52 3.73 0.00 0.00 0.03 -0.74 105.19 111.66 1qa2 n GLY 192 Ca -0.17 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1qa2 n GLY 192 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 1qa2 n VAL 193 N -2.81 1.78 -3.85 1.61 3.14 -1.26 -4.68 118.33 112.26 1qa2 n VAL 193 Ca -0.02 -0.45 -0.28 0.00 -2.96 0.00 0.00 64.34 60.63 1qa2 n VAL 193 Cb 0.13 -1.78 -0.16 0.00 -1.06 0.00 0.00 33.84 30.97 1qa2 n VAL 193 CO 0.00 0.00 0.00 0.12 -6.46 0.00 0.00 176.83 170.49 1qa2 s PHE 194 N -0.87 1.66 -0.13 1.45 5.36 -1.26 -0.32 117.98 123.87 1qa2 s PHE 194 Ca 0.57 -1.19 -0.10 0.00 -0.96 0.00 0.00 56.93 55.25 1qa2 s PHE 194 Cb -0.53 -1.29 -0.05 0.00 -0.34 0.00 0.00 43.02 40.82 1qa2 s PHE 194 CO 0.60 -0.65 0.20 -1.64 -1.46 0.00 0.00 175.22 172.27 1qa2 s MET 195 N 1.64 3.82 -0.08 10.12 -1.94 -0.86 -1.48 119.30 130.52 1qa2 s MET 195 Ca -0.02 -0.03 -0.05 0.00 -1.71 0.00 0.00 55.69 53.88 1qa2 s MET 195 Cb -0.17 -3.29 0.04 0.00 2.01 0.00 0.00 34.83 33.42 1qa2 s MET 195 CO -0.07 0.57 0.20 -2.00 -0.01 0.00 0.00 175.02 173.71 1qa2 s GLU 196 N -0.47 0.17 0.76 2.03 2.12 -0.86 -0.64 118.70 121.81 1qa2 s GLU 196 Ca 0.15 0.42 -0.11 0.00 0.36 0.00 0.00 54.97 55.79 1qa2 s GLU 196 Cb -0.13 -0.09 0.05 0.00 0.26 0.00 0.00 34.13 34.23 1qa2 s GLU 196 CO 0.04 -0.13 1.09 -1.54 -0.54 0.00 0.00 175.26 174.17 1qa2 s SER 197 N 0.97 4.64 -0.02 -1.70 1.04 -1.16 -1.17 113.70 116.31 1qa2 s SER 197 Ca -0.07 1.78 0.14 0.00 0.48 0.00 0.00 55.95 58.28 1qa2 s SER 197 Cb -0.09 -2.51 -0.21 0.00 0.10 0.00 0.00 66.02 63.31 1qa2 s SER 197 CO -0.06 -1.94 0.69 0.35 0.98 0.00 0.00 173.24 173.26 1qa2 n THR 198 N -3.46 1.49 -3.05 2.02 -2.24 -1.26 -4.59 114.28 103.19 1qa2 n THR 198 Ca 0.09 -0.77 -0.39 0.00 -2.27 0.00 0.00 64.05 60.71 1qa2 n THR 198 Cb 0.53 -0.95 -0.06 0.00 -2.10 0.00 0.00 70.33 67.75 1qa2 n THR 198 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1qa2 s THR 199 N -2.68 4.47 -0.42 4.28 2.01 -1.26 -5.04 115.64 116.99 1qa2 s THR 199 Ca -0.04 1.54 -0.09 0.00 0.31 0.00 0.00 61.69 63.41 1qa2 s THR 199 Cb 0.08 -4.04 0.08 0.00 0.01 0.00 0.00 72.50 68.63 1qa2 s THR 199 CO 0.82 0.46 0.26 -0.89 -0.69 0.00 0.00 174.62 174.59 1qa2 s THR 200 N -1.22 4.22 0.79 -0.82 2.01 -1.26 -4.95 115.64 114.41 1qa2 s THR 200 Ca 0.36 -1.43 -0.07 0.00 0.31 0.00 0.00 61.69 60.86 1qa2 s THR 200 Cb -0.21 -3.60 0.13 0.00 0.01 0.00 0.00 72.50 68.83 1qa2 s THR 200 CO 0.24 -0.52 1.10 -2.16 -0.69 0.00 0.00 174.62 172.58 1qa2 s PRO 201 N 1.42 1.51 -0.12 4.92 0.04 -1.26 -4.69 135.00 136.83 1qa2 s PRO 201 Ca 0.03 -0.65 -0.26 0.00 0.04 0.00 0.00 61.00 60.17 1qa2 s PRO 201 Cb -0.23 -2.14 -0.02 0.00 0.04 0.00 0.00 34.50 32.15 1qa2 s PRO 201 CO 0.02 -1.68 0.83 -1.58 0.04 0.00 0.00 177.00 174.63 1qa2 s TRP 202 N -3.40 3.50 0.10 0.56 0.52 -1.26 -1.27 118.94 117.69 1qa2 s TRP 202 Ca 0.67 1.34 0.08 0.00 0.02 0.00 0.00 56.10 58.21 1qa2 s TRP 202 Cb -0.06 -2.99 -0.03 0.00 -1.15 0.00 0.00 33.47 29.23 1qa2 s TRP 202 CO 0.47 -0.13 -0.22 0.14 0.02 0.00 0.00 176.95 177.24 1qa2 s VAL 203 N 1.66 1.78 0.16 4.03 -7.23 0.10 -4.34 120.40 116.55 1qa2 s VAL 203 Ca 0.41 -1.54 0.04 0.00 -1.81 0.00 0.00 61.98 59.08 1qa2 s VAL 203 Cb -0.18 -1.60 -0.04 0.00 0.56 0.00 0.00 36.38 35.12 1qa2 s VAL 203 CO 0.16 -0.02 0.16 0.27 -0.31 0.00 0.00 175.10 175.37 1qa2 s ILE 204 N -1.12 4.65 -0.42 -0.62 -4.36 -0.36 -2.14 121.20 116.84 1qa2 s ILE 204 Ca 0.07 -0.98 0.02 0.00 -0.26 0.00 0.00 60.65 59.51 1qa2 s ILE 204 Cb -0.10 -3.37 0.15 0.00 1.25 0.00 0.00 42.46 40.39 1qa2 s ILE 204 CO 0.04 -0.09 0.29 -0.75 0.24 0.00 0.00 174.94 174.67 1qa2 s LYS 205 N -3.08 0.99 0.00 0.37 2.20 -1.26 -1.84 119.74 117.13 1qa2 s LYS 205 Ca 0.32 -1.93 0.00 0.00 -0.36 0.00 0.00 55.97 54.00 1qa2 s LYS 205 Cb -0.10 -1.73 0.00 0.00 -1.51 0.00 0.00 37.83 34.48 1qa2 s LYS 205 CO 0.24 -1.27 0.93 -2.30 -0.36 0.00 0.00 175.35 172.59 1qa2 n PRO 206 N 3.32 0.47 -3.77 4.03 -0.02 -1.26 -4.79 135.00 132.98 1qa2 n PRO 206 Ca 0.19 0.00 -0.10 0.00 -2.02 0.00 0.00 63.50 61.56 1qa2 n PRO 206 Cb 0.40 -1.27 -0.07 0.00 -0.02 0.00 0.00 33.50 32.55 1qa2 n PRO 206 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 1qa2 s TRP 207 N 1.05 -0.03 0.66 6.00 -2.14 -1.26 -1.01 118.94 122.20 1qa2 s TRP 207 Ca 0.00 -0.24 0.03 0.00 2.66 0.00 0.00 56.10 58.55 1qa2 s TRP 207 Cb 0.00 0.07 0.10 0.00 -3.10 0.00 0.00 33.47 30.55 1qa2 s TRP 207 CO 0.00 -0.55 0.90 0.95 -2.66 0.00 0.00 176.95 175.59 1qa2 s THR 208 N -3.23 2.21 -0.27 0.66 -4.23 0.11 -4.88 115.64 106.02 1qa2 s THR 208 Ca -0.00 -0.73 0.25 0.00 -1.18 0.00 0.00 61.69 60.03 1qa2 s THR 208 Cb 0.02 -2.48 0.26 0.00 1.34 0.00 0.00 72.50 71.64 1qa2 s THR 208 CO -0.08 0.00 1.76 0.44 -0.54 0.00 0.00 174.62 176.21 1qa2 h ASP 209 N -0.24 0.00 -0.59 3.99 3.45 -2.00 0.25 116.42 121.28 1qa2 h ASP 209 Ca -0.35 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.11 1qa2 h ASP 209 Cb 1.28 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.05 1qa2 h ASP 209 CO 0.41 0.00 0.00 0.47 -1.57 0.00 0.00 179.24 178.55 1qa2 n ASP 210 N -2.38 3.66 -2.68 6.45 8.00 -1.26 -4.95 116.55 123.39 1qa2 n ASP 210 Ca 0.01 -1.99 -0.19 0.00 0.71 0.00 0.00 54.79 53.33 1qa2 n ASP 210 Cb 0.17 -0.39 0.04 0.00 -0.02 0.00 0.00 41.12 40.91 1qa2 n ASP 210 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1qa2 n ASN 211 N 1.42 -5.50 -4.86 -2.24 5.15 0.86 -5.01 115.26 105.08 1qa2 n ASN 211 Ca 0.21 -0.28 -0.37 0.00 -0.60 0.00 0.00 54.58 53.55 1qa2 n ASN 211 Cb 0.58 -4.30 -0.06 0.00 -0.53 0.00 0.00 39.78 35.48 1qa2 n ASN 211 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 1qa2 s GLN 212 N -5.62 3.66 0.39 1.20 -0.21 -1.26 -4.79 119.66 113.03 1qa2 s GLN 212 Ca 0.30 0.09 -0.25 0.00 0.02 0.00 0.00 55.36 55.53 1qa2 s GLN 212 Cb -0.13 -3.16 -0.09 0.00 1.00 0.00 0.00 33.01 30.63 1qa2 s GLN 212 CO 0.37 0.70 1.07 -1.58 -2.12 0.00 0.00 175.29 173.73 1qa2 s TRP 213 N -1.14 3.27 -0.18 0.91 0.52 -1.26 0.05 118.94 121.11 1qa2 s TRP 213 Ca 0.22 1.64 -0.09 0.00 0.02 0.00 0.00 56.10 57.90 1qa2 s TRP 213 Cb -0.14 -3.18 -0.05 0.00 -1.15 0.00 0.00 33.47 28.96 1qa2 s TRP 213 CO 0.11 -0.71 0.12 -0.51 0.02 0.00 0.00 176.95 175.98 1qa2 s LEU 214 N -2.51 4.19 -0.00 2.99 1.43 -0.18 -4.86 118.68 119.73 1qa2 s LEU 214 Ca 0.56 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.96 1qa2 s LEU 214 Cb -0.24 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 1qa2 s LEU 214 CO 0.30 0.24 0.10 0.35 0.23 0.00 0.00 176.35 177.58 1qa2 n THR 215 N 3.11 0.00 -2.70 5.49 -2.24 -1.26 -4.83 114.28 111.85 1qa2 n THR 215 Ca -0.17 -0.28 -0.42 0.00 -2.27 0.00 0.00 64.05 60.90 1qa2 n THR 215 Cb 0.53 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.50 1qa2 n THR 215 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1qa2 s ASP 216 N -1.72 7.19 0.23 3.42 2.15 -1.26 -4.75 116.67 121.93 1qa2 s ASP 216 Ca 0.00 1.47 -0.06 0.00 0.43 0.00 0.00 52.55 54.38 1qa2 s ASP 216 Cb 0.02 -2.54 0.38 0.00 -0.30 0.00 0.00 42.92 40.48 1qa2 s ASP 216 CO 0.12 -0.49 1.74 0.00 -0.17 0.00 0.00 175.17 176.37 1qa2 h ALA 217 N 7.19 0.95 -0.77 3.66 0.00 -1.85 -1.48 119.26 126.97 1qa2 h ALA 217 Ca -0.28 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 1qa2 h ALA 217 Cb 1.13 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 1qa2 h ALA 217 CO 0.88 -0.19 0.28 0.00 0.00 0.00 0.00 179.25 180.23 1qa2 h ALA 218 N 1.49 1.04 -0.48 0.00 0.00 -1.93 -0.90 119.26 118.49 1qa2 h ALA 218 Ca 0.37 -0.21 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1qa2 h ALA 218 Cb 0.51 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 1qa2 h ALA 218 CO -0.36 0.66 -0.09 0.00 0.00 0.00 0.00 179.25 179.46 1qa2 h ALA 219 N 1.17 0.92 -0.36 0.00 0.00 -1.78 -2.31 119.26 116.91 1qa2 h ALA 219 Ca 0.25 -0.32 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 1qa2 h ALA 219 Cb 0.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1qa2 h ALA 219 CO -0.02 0.63 -0.38 0.28 0.00 0.00 0.00 179.25 179.76 1qa2 h VAL 220 N 0.79 1.28 -0.46 0.00 2.07 -0.99 -2.97 116.25 115.96 1qa2 h VAL 220 Ca 0.13 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.07 1qa2 h VAL 220 Cb 0.61 1.44 -0.02 0.00 -1.52 0.00 0.00 31.29 31.79 1qa2 h VAL 220 CO 0.04 0.52 0.19 0.58 0.02 0.00 0.00 177.57 178.91 1qa2 h VAL 221 N 0.70 1.17 0.00 2.57 2.07 -1.08 -1.54 116.25 120.14 1qa2 h VAL 221 Ca 0.05 -0.54 0.00 0.00 0.82 0.00 0.00 66.70 67.03 1qa2 h VAL 221 Cb 0.97 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 1qa2 h VAL 221 CO 0.09 0.21 0.00 0.00 0.02 0.00 0.00 177.57 177.89 1qa2 n ALA 222 N -2.46 1.37 1.42 1.67 0.00 -0.88 -2.30 120.51 119.33 1qa2 n ALA 222 Ca 0.03 0.12 0.14 0.00 0.00 0.00 0.00 53.44 53.73 1qa2 n ALA 222 Cb 0.15 -1.33 0.53 0.00 0.00 0.00 0.00 19.45 18.81 1qa2 n ALA 222 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1qa2 n THR 223 N -2.15 0.00 -1.63 0.00 -2.24 -0.58 -4.96 114.28 102.72 1qa2 n THR 223 Ca 0.01 -0.13 -0.48 0.00 -2.27 0.00 0.00 64.05 61.18 1qa2 n THR 223 Cb 0.13 0.20 -0.04 0.00 -2.10 0.00 0.00 70.33 68.52 1qa2 n THR 223 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1qa2 n LEU 224 N -0.56 2.36 -3.49 3.22 7.94 -0.97 -4.41 117.00 121.09 1qa2 n LEU 224 Ca 0.16 1.11 -0.12 0.00 -1.11 0.00 0.00 56.01 56.05 1qa2 n LEU 224 Cb 0.31 -1.31 -0.03 0.00 0.53 0.00 0.00 43.42 42.92 1qa2 n LEU 224 CO 0.22 -0.74 0.33 -1.59 -1.11 0.00 0.00 177.39 174.50 1qa2 s LYS 225 N 0.34 1.20 -0.26 1.96 -2.85 -0.91 -4.98 119.74 114.25 1qa2 s LYS 225 Ca 0.78 -0.51 -0.17 0.00 -1.00 0.00 0.00 55.97 55.08 1qa2 s LYS 225 Cb -0.79 0.55 -0.03 0.00 -2.06 0.00 0.00 37.83 35.49 1qa2 s LYS 225 CO 0.45 -0.51 0.45 -0.65 0.10 0.00 0.00 175.35 175.20 1qa2 s GLN 226 N -3.64 4.06 0.02 1.78 -0.21 -1.26 0.00 119.66 120.41 1qa2 s GLN 226 Ca 0.01 0.21 -0.28 0.00 0.02 0.00 0.00 55.36 55.32 1qa2 s GLN 226 Cb -0.00 -3.65 0.09 0.00 1.00 0.00 0.00 33.01 30.45 1qa2 s GLN 226 CO -0.12 -0.30 0.79 0.45 -2.12 0.00 0.00 175.29 173.99 1qa2 s SER 227 N 1.55 -0.47 0.00 5.90 0.15 -0.40 -4.97 113.70 115.46 1qa2 s SER 227 Ca 0.19 0.17 0.23 0.00 0.70 0.00 0.00 55.95 57.23 1qa2 s SER 227 Cb -0.16 0.46 0.61 0.00 -1.71 0.00 0.00 66.02 65.23 1qa2 s SER 227 CO 0.09 -0.68 1.49 0.29 1.20 0.00 0.00 173.24 175.63 1qa2 n LYS 228 N 0.03 2.04 -2.48 5.44 5.02 -1.26 -4.06 118.16 122.88 1qa2 n LYS 228 Ca -0.13 -1.56 -0.04 0.00 -2.02 0.00 0.00 58.31 54.57 1qa2 n LYS 228 Cb 0.61 -1.45 0.01 0.00 -0.02 0.00 0.00 35.03 34.19 1qa2 n LYS 228 CO 0.00 0.00 0.00 -2.37 -0.52 0.00 0.00 177.40 174.51 1qa2 n THR 229 N 0.80 0.00 -3.68 -0.18 5.66 -1.26 -3.66 114.28 111.96 1qa2 n THR 229 Ca 0.17 -0.46 -0.23 0.00 -3.05 0.00 0.00 64.05 60.48 1qa2 n THR 229 Cb 0.45 0.48 0.05 0.00 -1.55 0.00 0.00 70.33 69.77 1qa2 n THR 229 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1qa2 n ASP 230 N -1.20 -3.37 0.00 1.09 2.03 -1.26 -4.85 116.55 109.00 1qa2 n ASP 230 Ca -0.04 -0.71 0.00 0.00 0.52 0.00 0.00 54.79 54.56 1qa2 n ASP 230 Cb 0.30 -4.43 0.00 0.00 -0.72 0.00 0.00 41.12 36.27 1qa2 n ASP 230 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1qa2 n GLY 231 N -1.61 -1.62 3.23 0.27 0.00 -1.26 -4.73 105.19 99.47 1qa2 n GLY 231 Ca -0.15 -1.45 -0.09 0.00 0.00 0.00 0.00 46.02 44.34 1qa2 n GLY 231 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1qa2 s TYR 232 N -2.10 0.07 0.01 1.61 -0.85 -0.76 -4.51 117.35 110.81 1qa2 s TYR 232 Ca 0.00 -0.47 -0.30 0.00 -0.52 0.00 0.00 57.07 55.78 1qa2 s TYR 232 Cb 0.00 0.01 -0.04 0.00 0.38 0.00 0.00 41.96 42.31 1qa2 s TYR 232 CO 0.00 -0.58 1.20 -0.65 -1.52 0.00 0.00 175.55 174.00 1qa2 s GLN 233 N -3.82 4.40 0.53 -3.49 -0.21 -1.26 -1.22 119.66 114.59 1qa2 s GLN 233 Ca 0.04 1.72 -0.22 0.00 0.02 0.00 0.00 55.36 56.92 1qa2 s GLN 233 Cb 0.04 -3.45 -0.05 0.00 1.00 0.00 0.00 33.01 30.54 1qa2 s GLN 233 CO -0.11 -0.34 1.37 -2.14 -2.12 0.00 0.00 175.29 171.94 1qa2 s PRO 234 N 1.61 3.20 0.36 2.91 0.02 -1.26 -4.71 135.00 137.13 1qa2 s PRO 234 Ca 0.57 2.25 0.04 0.00 0.02 0.00 0.00 61.00 63.89 1qa2 s PRO 234 Cb -0.27 -2.30 -0.03 0.00 0.02 0.00 0.00 34.50 31.91 1qa2 s PRO 234 CO 0.26 -1.14 0.15 0.95 -0.33 0.00 0.00 177.00 176.88 1qa2 s THR 235 N -1.29 0.51 0.50 0.99 -4.23 -1.26 -4.54 115.64 106.32 1qa2 s THR 235 Ca 0.70 -2.00 0.16 0.00 -1.18 0.00 0.00 61.69 59.37 1qa2 s THR 235 Cb -0.41 -2.46 0.29 0.00 1.34 0.00 0.00 72.50 71.27 1qa2 s THR 235 CO 0.49 0.00 2.11 -0.37 -0.54 0.00 0.00 174.62 176.30 1qa2 h VAL 236 N 1.99 0.97 0.00 2.29 -1.51 -2.00 -1.11 116.25 116.88 1qa2 h VAL 236 Ca -0.34 -0.03 -0.02 0.00 -1.23 0.00 0.00 66.70 65.07 1qa2 h VAL 236 Cb 1.26 0.87 -0.00 0.00 -2.13 0.00 0.00 31.29 31.28 1qa2 h VAL 236 CO 0.54 0.02 -0.10 0.77 -1.23 0.00 0.00 177.57 177.57 1qa2 h SER 237 N 0.10 0.00 0.67 4.19 4.64 -1.98 -0.05 113.55 121.12 1qa2 h SER 237 Ca 0.07 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.33 1qa2 h SER 237 Cb 0.16 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.25 1qa2 h SER 237 CO -0.01 0.10 -0.27 0.44 -0.87 0.00 0.00 176.83 176.22 1qa2 h ASP 238 N 0.00 0.00 0.24 4.97 3.32 -1.58 -1.56 116.42 121.80 1qa2 h ASP 238 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 1qa2 h ASP 238 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1qa2 h ASP 238 CO 0.01 0.27 -0.25 1.88 -1.72 0.00 0.00 179.24 179.44 1qa2 h TYR 239 N 0.00 0.02 0.11 4.55 0.05 -1.05 -0.58 116.97 120.07 1qa2 h TYR 239 Ca -0.00 -0.00 -0.22 0.00 0.05 0.00 0.00 58.73 58.55 1qa2 h TYR 239 Cb 0.68 -0.01 0.00 0.00 1.01 0.00 0.00 36.73 38.42 1qa2 h TYR 239 CO 0.00 0.27 -1.10 0.28 -1.05 0.00 0.00 178.16 176.56 1qa2 h VAL 240 N 0.02 1.25 -0.55 -2.88 2.07 -1.43 -3.34 116.25 111.38 1qa2 h VAL 240 Ca 0.00 -2.44 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 1qa2 h VAL 240 Cb 0.45 2.91 -0.02 0.00 -1.52 0.00 0.00 31.29 33.10 1qa2 h VAL 240 CO 0.03 0.68 0.23 0.50 0.02 0.00 0.00 177.57 179.03 1qa2 h LYS 241 N -0.41 0.81 -3.15 1.57 1.63 -1.14 -3.34 116.57 112.53 1qa2 h LYS 241 Ca -0.23 -0.14 -0.63 0.00 -0.85 0.00 0.00 60.65 58.80 1qa2 h LYS 241 Cb 1.64 -0.14 -0.42 0.00 -0.60 0.00 0.00 32.23 32.72 1qa2 h LYS 241 CO 0.07 0.70 -0.56 -0.06 -3.45 0.00 0.00 179.45 176.15 1qa2 s PHE 242 N -5.59 3.53 -0.14 1.91 0.08 -0.24 -5.05 117.98 112.48 1qa2 s PHE 242 Ca -0.13 -3.30 -0.38 0.00 0.12 0.00 0.00 56.93 53.24 1qa2 s PHE 242 Cb 0.12 -2.75 -0.15 0.00 -0.57 0.00 0.00 43.02 39.67 1qa2 s PHE 242 CO 0.78 -0.58 1.66 -0.35 -0.10 0.00 0.00 175.22 176.62 1qa2 n PRO 243 N 2.17 1.36 -0.01 0.24 -0.04 -1.25 -1.47 135.00 136.00 1qa2 n PRO 243 Ca 0.17 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1qa2 n PRO 243 Cb 0.35 -2.20 0.00 0.00 -0.04 0.00 0.00 33.50 31.61 1qa2 n PRO 243 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qa2 n GLY 244 N 3.78 0.20 0.20 0.55 0.00 -1.26 -4.57 105.19 104.09 1qa2 n GLY 244 Ca 0.23 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.31 1qa2 n GLY 244 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1qa2 h ILE 245 N 0.00 1.01 -0.88 -0.61 2.10 -1.54 -2.95 117.51 114.64 1qa2 h ILE 245 Ca 0.00 -1.26 0.07 0.00 1.08 0.00 0.00 64.86 64.75 1qa2 h ILE 245 Cb 0.00 1.73 -0.06 0.00 -1.09 0.00 0.00 36.82 37.39 1qa2 h ILE 245 CO 0.00 0.33 0.54 -0.08 -1.08 0.00 0.00 178.15 177.86 1qa2 h GLU 246 N 0.00 0.94 0.00 2.19 4.81 -1.87 -0.38 114.58 120.28 1qa2 h GLU 246 Ca -0.00 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 59.17 1qa2 h GLU 246 Cb 0.70 -0.21 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1qa2 h GLU 246 CO 0.04 0.62 -0.39 1.79 -0.73 0.00 0.00 179.01 180.35 1qa2 h THR 247 N 0.97 0.00 0.00 0.32 1.35 -1.94 -3.34 112.91 110.27 1qa2 h THR 247 Ca 0.39 -0.55 -0.24 0.00 -0.55 0.00 0.00 66.41 65.46 1qa2 h THR 247 Cb 0.21 1.30 -0.04 0.00 -1.73 0.00 0.00 68.15 67.88 1qa2 h THR 247 CO -0.19 0.00 -1.65 0.18 -0.25 0.00 0.00 175.52 173.61 1qa2 n LEU 248 N -2.26 0.78 -4.74 3.87 4.77 -0.68 -4.92 117.00 113.81 1qa2 n LEU 248 Ca 0.04 0.36 -0.41 0.00 -0.03 0.00 0.00 56.01 55.96 1qa2 n LEU 248 Cb 0.45 0.16 -0.02 0.00 -2.33 0.00 0.00 43.42 41.67 1qa2 n LEU 248 CO 0.34 0.29 1.12 -0.76 -1.33 0.00 0.00 177.39 177.05 1qa2 s LEU 249 N -5.88 4.38 0.53 2.23 1.43 -0.24 -4.98 118.68 116.15 1qa2 s LEU 249 Ca -0.04 2.69 -0.20 0.00 -1.03 0.00 0.00 54.13 55.54 1qa2 s LEU 249 Cb 0.08 -3.62 -0.06 0.00 0.03 0.00 0.00 46.19 42.62 1qa2 s LEU 249 CO 0.82 -0.72 1.17 -2.16 0.23 0.00 0.00 176.35 175.68 1qa2 s PRO 250 N -0.31 3.39 0.50 1.29 0.04 -1.26 -4.92 135.00 133.73 1qa2 s PRO 250 Ca 0.60 1.73 0.24 0.00 0.04 0.00 0.00 61.00 63.61 1qa2 s PRO 250 Cb -0.42 -2.12 1.32 0.00 0.04 0.00 0.00 34.50 33.32 1qa2 s PRO 250 CO 0.43 -0.85 1.95 -1.00 0.04 0.00 0.00 177.00 177.57 1qa2 h PRO 251 N 1.40 0.11 0.00 0.56 0.13 -1.95 -1.12 132.00 131.13 1qa2 h PRO 251 Ca -0.50 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 1qa2 h PRO 251 Cb 1.27 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.37 1qa2 h PRO 251 CO 0.58 0.07 0.00 0.27 -0.23 0.00 0.00 178.00 178.69 1qa2 n ASN 252 N -4.38 0.00 -0.52 1.44 0.23 -1.26 -2.64 115.26 108.12 1qa2 n ASN 252 Ca 0.13 -0.30 0.08 0.00 -0.53 0.00 0.00 54.58 53.96 1qa2 n ASN 252 Cb 0.67 -0.20 0.04 0.00 -2.08 0.00 0.00 39.78 38.21 1qa2 n ASN 252 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1qa2 n ALA 253 N -1.20 2.78 -2.83 -2.53 0.00 -0.43 -4.79 120.51 111.52 1qa2 n ALA 253 Ca 0.14 -0.59 -0.33 0.00 0.00 0.00 0.00 53.44 52.67 1qa2 n ALA 253 Cb 0.17 -0.55 -0.06 0.00 0.00 0.00 0.00 19.45 19.00 1qa2 n ALA 253 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1qa2 s LYS 254 N -1.59 3.20 -1.62 0.00 1.02 -1.08 -4.49 119.74 115.17 1qa2 s LYS 254 Ca 0.16 -0.42 0.00 0.00 0.02 0.00 0.00 55.97 55.73 1qa2 s LYS 254 Cb 0.13 -2.95 0.00 0.00 -0.52 0.00 0.00 37.83 34.49 1qa2 s LYS 254 CO 0.29 0.66 0.00 0.41 -0.92 0.00 0.00 175.35 175.79 1qa2 n GLY 255 N 1.12 0.70 3.79 -3.33 0.00 -1.26 -4.99 105.19 101.22 1qa2 n GLY 255 Ca -0.12 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.37 1qa2 n GLY 255 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1qa2 s GLN 256 N -4.12 3.26 -0.35 1.61 -0.21 -1.26 -5.00 119.66 113.60 1qa2 s GLN 256 Ca 0.00 1.29 0.15 0.00 0.02 0.00 0.00 55.36 56.82 1qa2 s GLN 256 Cb 0.00 -2.02 0.43 0.00 1.00 0.00 0.00 33.01 32.42 1qa2 s GLN 256 CO 0.00 -0.87 1.00 -1.71 -2.12 0.00 0.00 175.29 171.60 1qa2 n ASN 257 N -1.95 0.60 -4.63 5.90 4.05 -1.26 -4.99 115.26 112.98 1qa2 n ASN 257 Ca 0.09 -2.74 -0.39 0.00 0.45 0.00 0.00 54.58 51.99 1qa2 n ASN 257 Cb 0.52 -0.17 -0.08 0.00 1.23 0.00 0.00 39.78 41.29 1qa2 n ASN 257 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1qa2 s ILE 258 N -2.29 5.10 -0.23 -1.44 -1.09 -1.26 -4.91 121.20 115.08 1qa2 s ILE 258 Ca 0.28 0.83 -0.16 0.00 -2.23 0.00 0.00 60.65 59.36 1qa2 s ILE 258 Cb 0.43 -3.80 0.07 0.00 -1.58 0.00 0.00 42.46 37.57 1qa2 s ILE 258 CO -0.00 0.13 0.59 -0.89 -1.23 0.00 0.00 174.94 173.54 1qa2 s THR 259 N 2.06 -0.01 -0.51 2.92 2.01 -1.26 -1.24 115.64 119.60 1qa2 s THR 259 Ca 0.20 0.02 -0.15 0.00 0.31 0.00 0.00 61.69 62.07 1qa2 s THR 259 Cb -0.16 -0.85 0.11 0.00 0.01 0.00 0.00 72.50 71.62 1qa2 s THR 259 CO 0.09 0.01 0.46 -0.55 -0.69 0.00 0.00 174.62 173.94 1qa2 s SER 260 N 1.09 6.15 -0.16 3.53 0.15 0.25 -0.59 113.70 124.11 1qa2 s SER 260 Ca -0.06 -1.65 -0.04 0.00 0.70 0.00 0.00 55.95 54.89 1qa2 s SER 260 Cb -0.05 -2.19 -0.03 0.00 -1.71 0.00 0.00 66.02 62.04 1qa2 s SER 260 CO -0.10 -0.78 -0.02 -0.89 1.20 0.00 0.00 173.24 172.64 1qa2 s THR 261 N 1.60 4.05 -0.37 6.45 2.01 -0.04 -1.46 115.64 127.88 1qa2 s THR 261 Ca 0.03 -0.30 -0.19 0.00 0.31 0.00 0.00 61.69 61.54 1qa2 s THR 261 Cb -0.28 -2.78 0.00 0.00 0.01 0.00 0.00 72.50 69.45 1qa2 s THR 261 CO 0.04 0.49 0.55 -0.22 -0.69 0.00 0.00 174.62 174.79 1qa2 s LEU 262 N 0.34 4.41 -0.22 4.42 2.96 -0.36 -1.01 118.68 129.21 1qa2 s LEU 262 Ca -0.03 -0.12 -0.07 0.00 -0.22 0.00 0.00 54.13 53.69 1qa2 s LEU 262 Cb -0.14 -2.62 -0.03 0.00 0.50 0.00 0.00 46.19 43.90 1qa2 s LEU 262 CO 0.02 -0.56 0.05 -0.70 -1.32 0.00 0.00 176.35 173.84 1qa2 s GLU 263 N 2.49 3.70 -0.27 1.98 2.12 -0.10 -1.19 118.70 127.44 1qa2 s GLU 263 Ca 0.20 -0.47 -0.10 0.00 0.36 0.00 0.00 54.97 54.96 1qa2 s GLU 263 Cb -0.15 -3.23 -0.05 0.00 0.26 0.00 0.00 34.13 30.96 1qa2 s GLU 263 CO 0.15 -0.04 0.16 0.42 -0.54 0.00 0.00 175.26 175.40 1qa2 s ILE 264 N 1.20 5.12 -0.17 -3.70 -1.09 0.68 -0.87 121.20 122.38 1qa2 s ILE 264 Ca 0.04 0.10 -0.00 0.00 -2.23 0.00 0.00 60.65 58.56 1qa2 s ILE 264 Cb -0.14 -3.42 -0.00 0.00 -1.58 0.00 0.00 42.46 37.31 1qa2 s ILE 264 CO 0.03 0.29 -0.14 -0.60 -1.23 0.00 0.00 174.94 173.29 1qa2 s ARG 265 N 1.60 3.24 -1.41 2.79 3.52 -0.67 -0.92 118.95 127.10 1qa2 s ARG 265 Ca 0.07 -0.73 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 1qa2 s ARG 265 Cb -0.15 -2.68 0.00 0.00 -1.56 0.00 0.00 34.95 30.55 1qa2 s ARG 265 CO 0.08 -0.02 0.37 0.39 -0.81 0.00 0.00 175.30 175.31 1qa2 n GLU 266 N 4.17 -2.70 -4.24 5.12 1.02 0.10 -4.39 120.64 119.73 1qa2 n GLU 266 Ca -0.19 0.34 -0.23 0.00 -0.02 0.00 0.00 57.16 57.06 1qa2 n GLU 266 Cb 0.51 -4.29 -0.07 0.00 -0.02 0.00 0.00 31.44 27.57 1qa2 n GLU 266 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1qa2 s ILE 268 N -2.42 0.77 -0.97 0.00 1.01 -1.26 -2.32 121.20 116.00 1qa2 s ILE 268 Ca 0.35 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.59 1qa2 s ILE 268 Cb -0.03 -0.69 0.01 0.00 0.01 0.00 0.00 42.46 41.76 1qa2 s ILE 268 CO 0.21 0.24 0.84 0.61 0.00 0.00 0.00 174.94 176.84 1qa2 n GLY 269 N 3.35 -0.13 3.51 6.18 0.00 -0.76 -3.76 105.19 113.59 1qa2 n GLY 269 Ca -0.19 -0.01 -0.34 0.00 0.00 0.00 0.00 46.02 45.49 1qa2 n GLY 269 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qa2 s VAL 270 N -3.23 3.73 -0.03 1.61 1.01 -1.25 -0.37 120.40 121.87 1qa2 s VAL 270 Ca 0.39 -0.43 0.07 0.00 0.00 0.00 0.00 61.98 62.01 1qa2 s VAL 270 Cb -0.17 -2.59 -0.02 0.00 0.00 0.00 0.00 36.38 33.60 1qa2 s VAL 270 CO 0.52 0.53 -0.24 -1.61 0.00 0.00 0.00 175.10 174.31 1qa2 s GLU 271 N -0.04 2.27 -0.24 2.72 2.02 -0.83 -2.16 118.70 122.45 1qa2 s GLU 271 Ca 0.00 -0.89 -0.03 0.00 0.02 0.00 0.00 54.97 54.07 1qa2 s GLU 271 Cb -0.13 -2.11 0.01 0.00 0.10 0.00 0.00 34.13 31.99 1qa2 s GLU 271 CO 0.03 0.52 -0.05 0.08 0.02 0.00 0.00 175.26 175.86 1qa2 s VAL 272 N -0.51 3.11 -0.04 2.63 1.01 0.14 -1.13 120.40 125.60 1qa2 s VAL 272 Ca 0.07 -0.77 0.04 0.00 0.00 0.00 0.00 61.98 61.31 1qa2 s VAL 272 Cb -0.11 -2.50 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 1qa2 s VAL 272 CO 0.00 0.30 -0.15 -1.00 0.00 0.00 0.00 175.10 174.26 1qa2 s HIS 273 N 1.40 2.69 -1.57 5.22 3.76 0.76 -0.39 115.29 127.16 1qa2 s HIS 273 Ca 0.03 -0.17 -0.14 0.00 -0.15 0.00 0.00 55.06 54.63 1qa2 s HIS 273 Cb -0.15 -1.62 0.10 0.00 1.11 0.00 0.00 32.58 32.02 1qa2 s HIS 273 CO -0.04 0.19 0.88 0.54 -0.85 0.00 0.00 174.74 175.46 1qa2 n ARG 274 N 2.26 -4.68 -2.52 1.40 1.74 -0.56 -0.79 116.66 113.52 1qa2 n ARG 274 Ca -0.17 0.52 -0.36 0.00 -0.77 0.00 0.00 57.85 57.07 1qa2 n ARG 274 Cb 0.52 -5.31 -0.04 0.00 -1.02 0.00 0.00 32.46 26.62 1qa2 n ARG 274 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qa2 s ALA 275 N -3.35 3.00 0.04 7.54 0.00 -1.26 -3.67 121.76 124.06 1qa2 s ALA 275 Ca 0.62 0.69 -0.00 0.00 0.00 0.00 0.00 51.96 53.27 1qa2 s ALA 275 Cb -0.32 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.52 1qa2 s ALA 275 CO 0.86 -0.29 0.06 0.45 0.00 0.00 0.00 175.76 176.84 1qa2 n SER 276 N -0.41 -0.16 0.00 0.00 2.88 0.56 -0.33 113.62 116.16 1qa2 n SER 276 Ca 0.07 -1.25 0.00 0.00 -1.33 0.00 0.00 58.87 56.36 1qa2 n SER 276 Cb 0.50 0.31 0.00 0.00 -0.75 0.00 0.00 64.21 64.27 1qa2 n SER 276 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1qa2 n GLY 277 N -0.08 -0.11 2.90 0.46 0.00 -1.26 -2.02 105.19 105.08 1qa2 n GLY 277 Ca 0.00 -1.56 -0.25 0.00 0.00 0.00 0.00 46.02 44.22 1qa2 n GLY 277 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qa2 s LEU 278 N 0.00 1.16 -1.53 0.99 1.43 0.19 -1.38 118.68 119.54 1qa2 s LEU 278 Ca 0.00 -0.24 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 1qa2 s LEU 278 Cb 0.00 -0.71 0.01 0.00 0.03 0.00 0.00 46.19 45.51 1qa2 s LEU 278 CO 0.00 -0.10 0.68 0.23 0.23 0.00 0.00 176.35 177.39 1qa2 n MET 279 N 4.69 -5.26 -3.49 1.70 2.81 0.21 -2.96 117.12 114.83 1qa2 n MET 279 Ca -0.15 0.90 -0.32 0.00 -1.81 0.00 0.00 57.70 56.33 1qa2 n MET 279 Cb 0.50 -5.78 -0.05 0.00 -0.71 0.00 0.00 33.22 27.19 1qa2 n MET 279 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1qa2 s ALA 280 N -3.20 3.63 0.01 3.04 0.00 -0.42 -0.58 121.76 124.24 1qa2 s ALA 280 Ca 0.34 -0.35 -0.05 0.00 0.00 0.00 0.00 51.96 51.90 1qa2 s ALA 280 Cb -0.15 -2.35 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 1qa2 s ALA 280 CO 0.41 0.55 0.08 0.20 0.00 0.00 0.00 175.76 177.01 1qa2 s GLY 281 N -2.36 0.12 -0.13 0.00 0.00 -0.53 -3.22 107.32 101.19 1qa2 s GLY 281 Ca 0.45 -0.30 -0.01 0.00 0.00 0.00 0.00 44.72 44.86 1qa2 s GLY 281 CO 0.22 -0.42 -0.04 -1.36 0.00 0.00 0.00 173.10 171.50 1qa2 s PHE 282 N -1.44 1.34 -0.16 1.90 0.40 0.13 -1.23 117.98 118.91 1qa2 s PHE 282 Ca -0.15 -0.74 0.01 0.00 -0.60 0.00 0.00 56.93 55.45 1qa2 s PHE 282 Cb -0.08 -1.15 0.02 0.00 0.51 0.00 0.00 43.02 42.32 1qa2 s PHE 282 CO 0.01 -0.52 -0.18 -1.17 0.70 0.00 0.00 175.22 174.06 1qa2 s LEU 283 N 1.75 1.97 -0.40 -0.37 2.96 -0.34 -1.25 118.68 123.01 1qa2 s LEU 283 Ca 0.03 -0.58 -0.13 0.00 -0.22 0.00 0.00 54.13 53.23 1qa2 s LEU 283 Cb -0.14 -1.36 0.04 0.00 0.50 0.00 0.00 46.19 45.23 1qa2 s LEU 283 CO -0.07 -0.00 0.27 -0.36 -1.32 0.00 0.00 176.35 174.86 1qa2 s PHE 284 N 1.26 3.25 -0.30 5.38 0.40 0.22 -0.23 117.98 127.97 1qa2 s PHE 284 Ca 0.02 -0.89 -0.08 0.00 -0.60 0.00 0.00 56.93 55.39 1qa2 s PHE 284 Cb -0.13 -2.63 0.00 0.00 0.51 0.00 0.00 43.02 40.77 1qa2 s PHE 284 CO -0.10 -0.67 0.10 0.50 0.70 0.00 0.00 175.22 175.75 1qa2 s ARG 285 N 1.59 3.19 -1.10 0.44 3.52 -0.09 -1.33 118.95 125.17 1qa2 s ARG 285 Ca 0.03 -0.80 0.00 0.00 -0.13 0.00 0.00 55.73 54.83 1qa2 s ARG 285 Cb -0.20 -3.42 0.00 0.00 -1.56 0.00 0.00 34.95 29.77 1qa2 s ARG 285 CO 0.07 -0.42 0.00 0.41 -0.81 0.00 0.00 175.30 174.55 1qa2 n GLY 286 N 4.90 0.04 3.96 8.12 0.00 0.20 0.01 105.19 122.42 1qa2 n GLY 286 Ca -0.14 -0.37 -0.22 0.00 0.00 0.00 0.00 46.02 45.28 1qa2 n GLY 286 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa2 s HIS 288 N -2.08 -0.03 -1.47 0.00 3.76 -0.98 -4.47 115.29 110.02 1qa2 s HIS 288 Ca 0.36 0.08 -0.08 0.00 -0.15 0.00 0.00 55.06 55.27 1qa2 s HIS 288 Cb -0.09 -0.01 0.02 0.00 1.11 0.00 0.00 32.58 33.61 1qa2 s HIS 288 CO 0.31 -0.12 0.82 1.19 -0.85 0.00 0.00 174.74 176.09 1qa2 n PHE 289 N 2.50 -2.28 -4.10 1.40 3.01 0.30 -1.83 117.46 116.45 1qa2 n PHE 289 Ca -0.16 0.72 -0.29 0.00 1.01 0.00 0.00 57.45 58.73 1qa2 n PHE 289 Cb 0.58 -4.45 -0.07 0.00 -0.01 0.00 0.00 39.48 35.53 1qa2 n PHE 289 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1qa2 s LYS 291 N -2.60 0.36 -0.41 0.00 1.02 -0.92 -1.41 119.74 115.78 1qa2 s LYS 291 Ca 0.28 -0.31 -0.09 0.00 0.02 0.00 0.00 55.97 55.88 1qa2 s LYS 291 Cb -0.11 -0.26 0.08 0.00 -0.52 0.00 0.00 37.83 37.01 1qa2 s LYS 291 CO 0.21 0.06 0.25 1.41 -0.92 0.00 0.00 175.35 176.36 1qa2 s MET 292 N -0.53 2.59 -0.13 1.68 -2.45 0.34 -0.69 119.30 120.12 1qa2 s MET 292 Ca -0.02 -1.44 -0.02 0.00 -1.25 0.00 0.00 55.69 52.96 1qa2 s MET 292 Cb -0.04 -3.75 -0.02 0.00 1.25 0.00 0.00 34.83 32.27 1qa2 s MET 292 CO -0.00 -0.93 -0.08 0.08 1.05 0.00 0.00 175.02 175.14 1qa2 s VAL 293 N 1.42 3.54 -1.43 10.11 1.01 0.48 -0.98 120.40 134.54 1qa2 s VAL 293 Ca 0.03 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.48 1qa2 s VAL 293 Cb -0.23 -2.51 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1qa2 s VAL 293 CO 0.02 0.52 0.56 0.47 0.00 0.00 0.00 175.10 176.67 1qa2 n ASP 294 N 3.30 -1.15 -4.66 3.32 8.00 0.01 -1.50 116.55 123.87 1qa2 n ASP 294 Ca -0.18 -0.95 -0.51 0.00 0.71 0.00 0.00 54.79 53.86 1qa2 n ASP 294 Cb 0.53 -3.31 -0.06 0.00 -0.02 0.00 0.00 41.12 38.27 1qa2 n ASP 294 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qa2 n ALA 295 N -4.40 0.23 -1.76 2.24 0.00 -1.26 -3.14 120.51 112.43 1qa2 n ALA 295 Ca -0.24 0.41 -0.40 0.00 0.00 0.00 0.00 53.44 53.21 1qa2 n ALA 295 Cb 0.65 -2.28 -0.01 0.00 0.00 0.00 0.00 19.45 17.81 1qa2 n ALA 295 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1qa2 n ASN 296 N 4.40 8.25 -3.75 0.00 5.15 0.55 -1.42 115.26 128.44 1qa2 n ASN 296 Ca 0.21 -2.94 -0.24 0.00 -0.60 0.00 0.00 54.58 51.01 1qa2 n ASN 296 Cb 0.22 -1.43 0.02 0.00 -0.53 0.00 0.00 39.78 38.06 1qa2 n ASN 296 CO 0.00 0.00 0.00 -3.20 1.40 0.00 0.00 177.26 175.46 1qa2 n ASN 297 N 2.41 -1.65 -4.76 1.20 4.05 -0.57 -4.60 115.26 111.34 1qa2 n ASN 297 Ca 0.68 -0.89 -0.37 0.00 0.45 0.00 0.00 54.58 54.44 1qa2 n ASN 297 Cb 0.24 -3.73 0.01 0.00 1.23 0.00 0.00 39.78 37.54 1qa2 n ASN 297 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 1qa2 s PRO 298 N -6.08 3.48 -0.26 1.20 0.04 -1.25 -4.63 135.00 127.50 1qa2 s PRO 298 Ca 0.08 1.89 -0.15 0.00 0.04 0.00 0.00 61.00 62.86 1qa2 s PRO 298 Cb -0.02 -2.29 -0.04 0.00 0.04 0.00 0.00 34.50 32.19 1qa2 s PRO 298 CO 0.84 -0.81 0.38 0.45 0.04 0.00 0.00 177.00 177.90 1qa2 s SER 299 N -1.31 6.28 0.83 6.66 0.15 -0.48 -1.77 113.70 124.06 1qa2 s SER 299 Ca 0.68 0.32 -0.11 0.00 0.70 0.00 0.00 55.95 57.54 1qa2 s SER 299 Cb -0.31 -2.21 0.09 0.00 -1.71 0.00 0.00 66.02 61.87 1qa2 s SER 299 CO 0.37 -0.17 1.09 -0.83 1.20 0.00 0.00 173.24 174.90 1qa2 s GLY 300 N 1.55 1.65 0.00 9.45 0.00 -0.33 -0.62 107.32 119.03 1qa2 s GLY 300 Ca 0.16 0.13 0.00 0.00 0.00 0.00 0.00 44.72 45.01 1qa2 s GLY 300 CO 0.09 0.54 0.00 0.61 0.00 0.00 0.00 173.10 174.34 1qa2 n GLY 301 N -1.15 3.22 0.23 0.20 0.00 -1.20 -3.76 105.19 102.74 1qa2 n GLY 301 Ca 0.08 -1.79 -0.15 0.00 0.00 0.00 0.00 46.02 44.16 1qa2 n GLY 301 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1qa2 h LYS 302 N 0.00 0.79 -7.30 1.61 1.63 -1.48 -0.34 116.57 111.49 1qa2 h LYS 302 Ca 0.00 -0.56 -0.46 0.00 -0.85 0.00 0.00 60.65 58.79 1qa2 h LYS 302 Cb 0.00 0.09 0.10 0.00 -0.60 0.00 0.00 32.23 31.82 1qa2 h LYS 302 CO 0.00 1.18 0.19 -0.51 -3.45 0.00 0.00 179.45 176.86 1qa2 s ASP 303 N -7.00 4.18 0.51 4.20 1.01 -1.26 -4.01 116.67 114.29 1qa2 s ASP 303 Ca -0.10 -0.06 -0.22 0.00 0.71 0.00 0.00 52.55 52.89 1qa2 s ASP 303 Cb 0.10 -0.32 -0.07 0.00 1.01 0.00 0.00 42.92 43.64 1qa2 s ASP 303 CO 0.89 -1.99 1.13 0.61 0.21 0.00 0.00 175.17 176.02 1qa2 n GLY 304 N -3.05 0.13 0.18 0.21 0.00 -1.26 -4.56 105.19 96.84 1qa2 n GLY 304 Ca 0.13 0.04 -0.16 0.00 0.00 0.00 0.00 46.02 46.04 1qa2 n GLY 304 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1qa2 h ILE 305 N 1.30 1.34 -3.32 -0.61 2.04 -1.32 -3.38 117.51 113.55 1qa2 h ILE 305 Ca -0.48 -1.78 -0.53 0.00 1.00 0.00 0.00 64.86 63.08 1qa2 h ILE 305 Cb 1.33 2.04 -0.39 0.00 -0.74 0.00 0.00 36.82 39.07 1qa2 h ILE 305 CO 0.56 0.54 -0.78 -0.63 0.00 0.00 0.00 178.15 177.84 1qa2 s ILE 306 N -3.82 0.83 -0.08 -0.67 1.01 0.46 0.17 121.20 119.09 1qa2 s ILE 306 Ca -0.12 -0.54 0.03 0.00 0.00 0.00 0.00 60.65 60.02 1qa2 s ILE 306 Cb 0.07 -1.13 0.01 0.00 0.01 0.00 0.00 42.46 41.41 1qa2 s ILE 306 CO 0.84 0.01 -0.18 -0.89 0.00 0.00 0.00 174.94 174.72 1qa2 s THR 307 N 1.74 1.60 -0.38 2.92 2.01 -0.38 -1.03 115.64 122.12 1qa2 s THR 307 Ca 0.00 -0.75 -0.03 0.00 0.31 0.00 0.00 61.69 61.22 1qa2 s THR 307 Cb -0.16 -1.41 0.09 0.00 0.01 0.00 0.00 72.50 71.03 1qa2 s THR 307 CO -0.07 0.46 0.15 -0.36 -0.69 0.00 0.00 174.62 174.11 1qa2 s PHE 308 N 0.51 3.50 -0.20 4.92 0.40 -0.19 -0.61 117.98 126.30 1qa2 s PHE 308 Ca -0.17 -2.23 -0.03 0.00 -0.60 0.00 0.00 56.93 53.91 1qa2 s PHE 308 Cb -0.17 -2.91 -0.01 0.00 0.51 0.00 0.00 43.02 40.44 1qa2 s PHE 308 CO 0.06 -0.92 -0.07 -2.00 0.70 0.00 0.00 175.22 173.00 1qa2 s GLU 309 N 1.18 3.36 -0.38 0.44 2.12 -0.44 -0.62 118.70 124.36 1qa2 s GLU 309 Ca 0.05 -0.64 0.12 0.00 0.36 0.00 0.00 54.97 54.85 1qa2 s GLU 309 Cb -0.22 -2.92 0.42 0.00 0.26 0.00 0.00 34.13 31.67 1qa2 s GLU 309 CO -0.03 -0.13 0.96 0.09 -0.54 0.00 0.00 175.26 175.61 1qa2 n ASN 310 N 4.58 2.53 0.19 -1.70 4.13 -0.71 -0.63 115.26 123.64 1qa2 n ASN 310 Ca -0.18 -3.12 0.05 0.00 1.68 0.00 0.00 54.58 53.01 1qa2 n ASN 310 Cb 0.51 -0.53 0.36 0.00 -1.54 0.00 0.00 39.78 38.58 1qa2 n ASN 310 CO 0.00 0.00 0.00 -0.07 0.28 0.00 0.00 177.26 177.47 1qa2 h LEU 311 N 2.88 0.00 -9.30 3.41 3.38 -1.87 -3.42 115.31 110.40 1qa2 h LEU 311 Ca 0.06 0.00 -0.65 0.00 0.09 0.00 0.00 57.88 57.39 1qa2 h LEU 311 Cb 1.02 0.00 -0.15 0.00 0.09 0.00 0.00 40.66 41.62 1qa2 h LEU 311 CO 0.63 0.38 -0.73 -0.44 0.09 0.00 0.00 178.44 178.36 1qa2 s SER 312 N -6.51 4.36 0.00 -0.43 0.01 -1.26 -4.99 113.70 104.89 1qa2 s SER 312 Ca -0.01 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.79 1qa2 s SER 312 Cb 0.12 -0.80 0.00 0.00 0.21 0.00 0.00 66.02 65.54 1qa2 s SER 312 CO 0.69 0.14 0.00 0.61 0.41 0.00 0.00 173.24 175.09 1qa2 n GLY 313 N 0.40 -0.40 3.85 3.44 0.00 -1.26 -4.82 105.19 106.41 1qa2 n GLY 313 Ca -0.12 -1.11 -0.31 0.00 0.00 0.00 0.00 46.02 44.48 1qa2 n GLY 313 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1qa2 s ASP 314 N -4.00 5.68 0.33 1.61 -0.00 -1.26 -5.00 116.67 114.03 1qa2 s ASP 314 Ca 0.00 1.39 -0.29 0.00 -0.00 0.00 0.00 52.55 53.65 1qa2 s ASP 314 Cb 0.00 -2.31 -0.10 0.00 -0.00 0.00 0.00 42.92 40.51 1qa2 s ASP 314 CO 0.00 -1.22 1.39 0.26 -0.00 0.00 0.00 175.17 175.60 1qa2 s TRP 315 N -3.19 2.90 0.38 4.23 0.52 -1.26 -4.87 118.94 117.65 1qa2 s TRP 315 Ca 0.57 1.26 -0.28 0.00 0.02 0.00 0.00 56.10 57.67 1qa2 s TRP 315 Cb -0.12 -3.82 -0.11 0.00 -1.15 0.00 0.00 33.47 28.28 1qa2 s TRP 315 CO 0.54 -2.37 1.46 0.20 0.02 0.00 0.00 176.95 176.79 1qa2 s GLY 316 N -0.22 2.95 -0.05 0.98 0.00 -0.40 -4.70 107.32 105.88 1qa2 s GLY 316 Ca 0.52 1.53 -0.10 0.00 0.00 0.00 0.00 44.72 46.67 1qa2 s GLY 316 CO 0.54 2.20 0.25 1.25 0.00 0.00 0.00 173.10 177.34 1qa2 s LYS 317 N -2.11 0.46 -0.12 2.90 2.20 -1.26 -0.39 119.74 121.42 1qa2 s LYS 317 Ca 0.53 -0.00 0.00 0.00 -0.36 0.00 0.00 55.97 56.14 1qa2 s LYS 317 Cb -0.45 0.21 0.00 0.00 -1.51 0.00 0.00 37.83 36.07 1qa2 s LYS 317 CO 0.61 -0.10 0.00 0.41 -0.36 0.00 0.00 175.35 175.91 1qa2 n GLY 318 N 2.04 0.48 3.64 5.54 0.00 0.64 -0.54 105.19 116.99 1qa2 n GLY 318 Ca -0.18 -0.21 -0.40 0.00 0.00 0.00 0.00 46.02 45.23 1qa2 n GLY 318 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qa2 s ASN 319 N -2.24 6.56 0.10 1.61 0.02 -1.26 -3.11 114.94 116.62 1qa2 s ASN 319 Ca 0.00 0.68 0.04 0.00 -1.02 0.00 0.00 52.86 52.56 1qa2 s ASN 319 Cb 0.00 -2.32 -0.04 0.00 0.02 0.00 0.00 41.25 38.92 1qa2 s ASN 319 CO 0.00 -0.29 -0.11 -0.31 0.02 0.00 0.00 177.10 176.41 1qa2 s TYR 320 N 2.14 1.10 -0.25 2.20 2.02 -0.50 -1.47 117.35 122.60 1qa2 s TYR 320 Ca 0.25 -0.62 -0.00 0.00 -0.37 0.00 0.00 57.07 56.32 1qa2 s TYR 320 Cb -0.16 -0.60 0.04 0.00 -0.40 0.00 0.00 41.96 40.84 1qa2 s TYR 320 CO 0.09 0.02 -0.08 0.08 -1.57 0.00 0.00 175.55 174.10 1qa2 s VAL 321 N -2.30 2.65 -0.20 0.71 1.01 -0.30 -0.50 120.40 121.47 1qa2 s VAL 321 Ca 0.05 -1.20 0.01 0.00 0.00 0.00 0.00 61.98 60.85 1qa2 s VAL 321 Cb -0.04 -2.39 0.03 0.00 0.00 0.00 0.00 36.38 33.98 1qa2 s VAL 321 CO 0.01 0.14 -0.17 -0.63 0.00 0.00 0.00 175.10 174.45 1qa2 s ILE 322 N 1.26 2.05 0.00 2.22 -1.09 -0.15 -1.47 121.20 124.02 1qa2 s ILE 322 Ca -0.02 -1.10 0.00 0.00 -2.23 0.00 0.00 60.65 57.30 1qa2 s ILE 322 Cb -0.17 -1.94 0.00 0.00 -1.58 0.00 0.00 42.46 38.76 1qa2 s ILE 322 CO -0.05 0.38 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 1qa2 n GLY 323 N 4.58 -1.40 4.22 6.18 0.00 -0.03 -0.81 105.19 117.93 1qa2 n GLY 323 Ca -0.19 -1.17 0.02 0.00 0.00 0.00 0.00 46.02 44.69 1qa2 n GLY 323 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 324 N -0.05 -1.94 3.41 -0.02 0.00 -1.25 -4.18 105.19 101.16 1qa2 n GLY 324 Ca 0.00 -1.36 -0.10 0.00 0.00 0.00 0.00 46.02 44.56 1qa2 n GLY 324 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1qa2 s ARG 325 N -0.57 1.22 0.11 1.61 1.70 -0.50 -1.47 118.95 121.03 1qa2 s ARG 325 Ca 0.00 -0.71 0.01 0.00 -0.47 0.00 0.00 55.73 54.56 1qa2 s ARG 325 Cb 0.00 0.51 -0.04 0.00 -0.57 0.00 0.00 34.95 34.85 1qa2 s ARG 325 CO 0.00 -0.51 -0.03 0.95 -1.08 0.00 0.00 175.30 174.64 1qa2 s THR 326 N -3.82 0.49 0.02 4.99 -4.23 -0.89 -1.52 115.64 110.69 1qa2 s THR 326 Ca 0.05 -1.91 0.00 0.00 -1.18 0.00 0.00 61.69 58.65 1qa2 s THR 326 Cb 0.00 -1.78 -0.02 0.00 1.34 0.00 0.00 72.50 72.05 1qa2 s THR 326 CO -0.09 -0.77 -0.03 -0.44 -0.54 0.00 0.00 174.62 172.75 1qa2 s SER 327 N -3.04 0.25 0.97 3.99 0.01 -0.73 -1.55 113.70 113.60 1qa2 s SER 327 Ca 0.15 -0.39 0.00 0.00 1.31 0.00 0.00 55.95 57.02 1qa2 s SER 327 Cb 0.06 0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.36 1qa2 s SER 327 CO -0.03 -0.22 0.00 -1.22 0.41 0.00 0.00 173.24 172.18 1qa2 n TYR 328 N 1.94 0.00 0.00 2.43 4.02 -0.57 -1.18 117.16 123.80 1qa2 n TYR 328 Ca -0.21 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.68 1qa2 n TYR 328 Cb 0.56 0.08 0.00 0.00 -0.02 0.00 0.00 39.34 39.96 1qa2 n TYR 328 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1qa2 n GLY 329 N 0.00 0.83 0.11 2.72 0.00 -1.25 -4.22 105.19 103.39 1qa2 n GLY 329 Ca 0.00 -1.57 -0.06 0.00 0.00 0.00 0.00 46.02 44.39 1qa2 n GLY 329 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1qa2 h SER 330 N 0.00 0.10 0.00 1.61 0.02 -1.24 0.59 113.55 114.63 1qa2 h SER 330 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1qa2 h SER 330 Cb 0.00 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1qa2 h SER 330 CO 0.00 0.88 0.00 1.33 -1.14 0.00 0.00 176.83 177.90 1qa2 n VAL 331 N -3.62 0.00 -2.57 2.27 0.24 -1.26 -3.37 118.33 110.03 1qa2 n VAL 331 Ca -0.02 0.00 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 1qa2 n VAL 331 Cb 0.78 0.00 -0.05 0.00 -1.47 0.00 0.00 33.84 33.11 1qa2 n VAL 331 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1qa2 s SER 332 N 0.96 7.14 0.07 -1.34 0.01 -1.26 -2.24 113.70 117.05 1qa2 s SER 332 Ca 0.00 2.09 -0.22 0.00 1.31 0.00 0.00 55.95 59.14 1qa2 s SER 332 Cb 0.00 -2.60 -0.12 0.00 0.21 0.00 0.00 66.02 63.50 1qa2 s SER 332 CO 0.00 -0.22 1.59 0.28 0.41 0.00 0.00 173.24 175.30 1qa2 h SER 333 N 3.30 0.17 -3.70 2.44 0.02 -1.26 -2.95 113.55 111.57 1qa2 h SER 333 Ca -0.47 -0.19 -0.58 0.00 -0.84 0.00 0.00 61.79 59.72 1qa2 h SER 333 Cb 1.21 -0.04 -0.32 0.00 0.14 0.00 0.00 62.40 63.38 1qa2 h SER 333 CO 0.65 0.31 -0.84 -0.69 -1.14 0.00 0.00 176.83 175.12 1qa2 s VAL 334 N -5.46 1.49 -0.02 2.27 1.01 -0.92 -0.40 120.40 118.37 1qa2 s VAL 334 Ca -0.14 -0.73 0.01 0.00 0.00 0.00 0.00 61.98 61.12 1qa2 s VAL 334 Cb 0.06 -1.30 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1qa2 s VAL 334 CO 0.69 0.43 -0.02 -1.10 0.00 0.00 0.00 175.10 175.10 1qa2 s GLN 335 N 0.23 0.35 -0.05 2.72 -0.21 -0.20 -1.22 119.66 121.27 1qa2 s GLN 335 Ca -0.09 -0.03 0.06 0.00 0.02 0.00 0.00 55.36 55.33 1qa2 s GLN 335 Cb -0.14 -0.43 -0.01 0.00 1.00 0.00 0.00 33.01 33.43 1qa2 s GLN 335 CO 0.04 -0.04 -0.24 -0.06 -2.12 0.00 0.00 175.29 172.87 1qa2 s PHE 336 N 0.55 2.46 -0.09 0.91 0.40 -0.72 -1.03 117.98 120.46 1qa2 s PHE 336 Ca -0.06 -0.63 0.00 0.00 -0.60 0.00 0.00 56.93 55.65 1qa2 s PHE 336 Cb -0.09 -1.60 0.02 0.00 0.51 0.00 0.00 43.02 41.87 1qa2 s PHE 336 CO -0.01 -0.15 -0.08 -0.51 0.70 0.00 0.00 175.22 175.17 1qa2 s LEU 337 N -0.26 1.24 -1.18 -0.37 1.02 0.21 -2.03 118.68 117.32 1qa2 s LEU 337 Ca -0.00 -0.27 -0.16 0.00 0.02 0.00 0.00 54.13 53.72 1qa2 s LEU 337 Cb -0.13 -0.77 -0.01 0.00 0.02 0.00 0.00 46.19 45.30 1qa2 s LEU 337 CO 0.03 -0.09 0.76 -1.14 0.02 0.00 0.00 176.35 175.93 1qa2 n ARG 338 N 4.64 -1.86 -5.06 1.70 0.63 -0.25 -1.74 116.66 114.72 1qa2 n ARG 338 Ca -0.15 0.50 -0.31 0.00 -0.92 0.00 0.00 57.85 56.97 1qa2 n ARG 338 Cb 0.50 -4.39 -0.15 0.00 0.45 0.00 0.00 32.46 28.88 1qa2 n ARG 338 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 1qa2 s ASN 339 N -3.64 3.23 -0.18 6.15 -0.87 -1.21 -1.27 114.94 117.15 1qa2 s ASN 339 Ca 0.38 -0.50 -0.05 0.00 -1.57 0.00 0.00 52.86 51.12 1qa2 s ASN 339 Cb -0.13 -0.37 0.06 0.00 -0.02 0.00 0.00 41.25 40.79 1qa2 s ASN 339 CO 0.85 0.29 0.10 0.21 -2.57 0.00 0.00 177.10 175.98 1qa2 s ASN 340 N -0.96 2.29 0.00 -1.22 3.84 0.48 -1.13 114.94 118.25 1qa2 s ASN 340 Ca 0.11 -0.60 0.28 0.00 0.21 0.00 0.00 52.86 52.86 1qa2 s ASN 340 Cb -0.10 -0.19 1.62 0.00 -0.55 0.00 0.00 41.25 42.03 1qa2 s ASN 340 CO 0.01 -0.35 2.00 0.61 -2.79 0.00 0.00 177.10 176.58 1qa2 n GLY 341 N 5.28 -0.93 1.45 1.21 0.00 -0.80 -4.40 105.19 107.01 1qa2 n GLY 341 Ca -0.07 -0.17 0.08 0.00 0.00 0.00 0.00 46.02 45.86 1qa2 n GLY 341 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 342 N 0.79 -2.04 0.26 -0.02 0.00 -1.26 -0.77 105.19 102.16 1qa2 n GLY 342 Ca 0.20 -1.35 0.10 0.00 0.00 0.00 0.00 46.02 44.97 1qa2 n GLY 342 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1qa2 h PHE 343 N -0.54 0.00 0.00 1.61 0.04 -1.95 0.23 116.94 116.33 1qa2 h PHE 343 Ca 0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.78 1qa2 h PHE 343 Cb 0.53 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.68 1qa2 h PHE 343 CO 0.00 0.04 0.00 -0.85 -0.60 0.00 0.00 178.31 176.90 1qa2 n GLU 344 N -4.27 0.26 -3.81 1.51 0.00 -1.26 -4.89 120.64 108.18 1qa2 n GLU 344 Ca -0.03 0.11 -0.23 0.00 0.00 0.00 0.00 57.16 57.01 1qa2 n GLU 344 Cb 0.12 -1.50 0.01 0.00 0.00 0.00 0.00 31.44 30.07 1qa2 n GLU 344 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1qa2 n ARG 345 N -1.29 -4.22 -2.82 3.44 5.12 0.07 -4.88 116.66 112.07 1qa2 n ARG 345 Ca 0.09 0.53 -0.43 0.00 -1.93 0.00 0.00 57.85 56.10 1qa2 n ARG 345 Cb 0.15 -4.91 -0.01 0.00 -1.16 0.00 0.00 32.46 26.54 1qa2 n ARG 345 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 1qa2 s ASP 346 N -4.35 6.85 0.00 0.55 2.15 0.05 -4.55 116.67 117.37 1qa2 s ASP 346 Ca 0.02 -2.48 0.00 0.00 0.43 0.00 0.00 52.55 50.52 1qa2 s ASP 346 Cb -0.01 -2.46 0.00 0.00 -0.30 0.00 0.00 42.92 40.15 1qa2 s ASP 346 CO 0.85 -1.00 0.00 0.61 -0.17 0.00 0.00 175.17 175.46 1qa2 n GLY 347 N 5.03 3.32 0.00 2.66 0.00 -1.26 -0.26 105.19 114.68 1qa2 n GLY 347 Ca 0.36 -1.24 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1qa2 n GLY 347 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 348 N -1.45 0.74 3.07 -0.02 0.00 -0.54 -0.92 105.19 106.08 1qa2 n GLY 348 Ca 0.00 -2.08 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 1qa2 n GLY 348 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qa2 s VAL 349 N -1.47 1.68 -0.04 1.61 1.01 0.04 -1.15 120.40 122.07 1qa2 s VAL 349 Ca 0.00 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.25 1qa2 s VAL 349 Cb 0.00 -1.53 0.03 0.00 0.00 0.00 0.00 36.38 34.88 1qa2 s VAL 349 CO 0.00 0.48 -0.02 -0.63 0.00 0.00 0.00 175.10 174.93 1qa2 s ILE 350 N 1.11 0.34 -1.36 2.22 1.01 -0.54 -1.46 121.20 122.52 1qa2 s ILE 350 Ca -0.03 0.02 -0.02 0.00 0.00 0.00 0.00 60.65 60.62 1qa2 s ILE 350 Cb -0.14 -0.43 0.00 0.00 0.01 0.00 0.00 42.46 41.90 1qa2 s ILE 350 CO -0.05 0.20 0.28 0.61 0.00 0.00 0.00 174.94 175.98 1qa2 n GLY 351 N 4.32 -0.32 3.81 6.18 0.00 -0.95 -0.85 105.19 117.37 1qa2 n GLY 351 Ca -0.22 -0.09 -0.28 0.00 0.00 0.00 0.00 46.02 45.43 1qa2 n GLY 351 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1qa2 s PHE 352 N -2.98 3.22 -0.09 1.61 5.36 -1.25 -3.43 117.98 120.44 1qa2 s PHE 352 Ca 0.14 0.05 0.02 0.00 -0.96 0.00 0.00 56.93 56.18 1qa2 s PHE 352 Cb -0.06 -1.59 0.01 0.00 -0.34 0.00 0.00 43.02 41.04 1qa2 s PHE 352 CO 0.17 0.52 -0.14 0.99 -1.46 0.00 0.00 175.22 175.30 1qa2 s THR 353 N -1.59 1.37 -0.12 0.12 2.01 -0.54 -0.89 115.64 116.00 1qa2 s THR 353 Ca 0.31 -0.59 0.01 0.00 0.31 0.00 0.00 61.69 61.73 1qa2 s THR 353 Cb -0.11 -1.24 -0.01 0.00 0.01 0.00 0.00 72.50 71.15 1qa2 s THR 353 CO 0.24 0.41 -0.16 -0.55 -0.69 0.00 0.00 174.62 173.86 1qa2 s SER 354 N 0.78 3.73 -0.07 3.53 0.15 -0.56 -2.09 113.70 119.16 1qa2 s SER 354 Ca -0.12 -0.40 0.05 0.00 0.70 0.00 0.00 55.95 56.19 1qa2 s SER 354 Cb -0.16 -1.55 -0.01 0.00 -1.71 0.00 0.00 66.02 62.60 1qa2 s SER 354 CO 0.02 0.16 -0.25 -0.47 1.20 0.00 0.00 173.24 173.91 1qa2 s TYR 355 N 0.36 2.46 -1.38 3.44 6.14 -0.59 -1.21 117.35 126.57 1qa2 s TYR 355 Ca -0.13 -0.83 -0.03 0.00 0.64 0.00 0.00 57.07 56.72 1qa2 s TYR 355 Cb -0.17 -1.63 0.00 0.00 0.42 0.00 0.00 41.96 40.59 1qa2 s TYR 355 CO 0.07 -0.29 0.44 -2.13 0.64 0.00 0.00 175.55 174.28 1qa2 n ARG 356 N 3.15 -2.90 -2.16 4.97 3.00 -0.34 -1.52 116.66 120.86 1qa2 n ARG 356 Ca -0.18 0.39 -0.41 0.00 -0.00 0.00 0.00 57.85 57.65 1qa2 n ARG 356 Cb 0.52 -4.39 -0.03 0.00 0.00 0.00 0.00 32.46 28.57 1qa2 n ARG 356 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1qa2 s ALA 357 N -3.92 3.52 0.43 5.13 0.00 -1.26 -3.26 121.76 122.40 1qa2 s ALA 357 Ca 0.06 1.19 0.32 0.00 0.00 0.00 0.00 51.96 53.54 1qa2 s ALA 357 Cb -0.02 -3.48 1.67 0.00 0.00 0.00 0.00 23.12 21.29 1qa2 s ALA 357 CO 0.89 -0.58 2.13 0.78 0.00 0.00 0.00 175.76 178.99 1qa2 h GLY 358 N 4.25 0.00 0.00 0.00 0.00 -0.74 0.86 103.07 107.43 1qa2 h GLY 358 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 1qa2 h GLY 358 CO 0.71 0.00 0.00 -2.21 0.00 0.00 0.00 176.54 175.04 1qa2 n GLU 359 N -3.44 0.00 -4.27 4.80 2.13 -0.95 -4.35 120.64 114.56 1qa2 n GLU 359 Ca -0.02 0.00 -0.23 0.00 0.66 0.00 0.00 57.16 57.57 1qa2 n GLU 359 Cb 0.20 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 31.84 1qa2 n GLU 359 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1qa2 s SER 360 N 1.00 4.63 0.02 4.31 0.01 -1.26 -0.83 113.70 121.57 1qa2 s SER 360 Ca 0.00 -0.62 -0.26 0.00 1.31 0.00 0.00 55.95 56.37 1qa2 s SER 360 Cb 0.00 -0.88 -0.16 0.00 0.21 0.00 0.00 66.02 65.19 1qa2 s SER 360 CO 0.00 -0.02 1.21 1.23 0.41 0.00 0.00 173.24 176.07 1qa2 h GLY 361 N 1.83 -0.74 -5.95 3.44 0.00 -0.52 -1.62 103.07 99.51 1qa2 h GLY 361 Ca -0.44 0.27 -0.47 0.00 0.00 0.00 0.00 47.33 46.69 1qa2 h GLY 361 CO 0.61 -0.27 -0.80 0.14 0.00 0.00 0.00 176.54 176.22 1qa2 s VAL 362 N -4.79 0.88 -0.03 4.60 1.01 -0.85 -2.15 120.40 119.06 1qa2 s VAL 362 Ca -0.14 -0.34 0.01 0.00 0.00 0.00 0.00 61.98 61.51 1qa2 s VAL 362 Cb 0.02 -0.83 0.02 0.00 0.00 0.00 0.00 36.38 35.60 1qa2 s VAL 362 CO 0.49 0.29 -0.01 -0.75 0.00 0.00 0.00 175.10 175.12 1qa2 s LYS 363 N 0.69 0.44 -0.20 2.72 2.20 -0.35 -0.41 119.74 124.83 1qa2 s LYS 363 Ca -0.12 0.02 -0.08 0.00 -0.36 0.00 0.00 55.97 55.43 1qa2 s LYS 363 Cb -0.15 -0.56 -0.04 0.00 -1.51 0.00 0.00 37.83 35.57 1qa2 s LYS 363 CO 0.02 -0.11 0.07 0.95 -0.36 0.00 0.00 175.35 175.92 1qa2 s THR 364 N 0.93 4.72 0.71 3.43 -4.23 -0.51 -1.76 115.64 118.93 1qa2 s THR 364 Ca -0.10 -0.05 -0.15 0.00 -1.18 0.00 0.00 61.69 60.21 1qa2 s THR 364 Cb -0.13 -3.15 0.03 0.00 1.34 0.00 0.00 72.50 70.58 1qa2 s THR 364 CO -0.01 0.42 1.16 0.26 -0.54 0.00 0.00 174.62 175.91 1qa2 s TRP 365 N 0.73 2.27 0.12 3.99 0.52 -0.86 -4.47 118.94 121.24 1qa2 s TRP 365 Ca 0.04 1.59 0.10 0.00 0.02 0.00 0.00 56.10 57.85 1qa2 s TRP 365 Cb -0.13 -3.33 -0.04 0.00 -1.15 0.00 0.00 33.47 28.82 1qa2 s TRP 365 CO 0.02 -2.23 -0.24 -0.65 0.02 0.00 0.00 176.95 173.87 1qa2 s GLN 366 N -4.04 1.30 1.44 4.98 1.11 -1.26 -3.93 119.66 119.26 1qa2 s GLN 366 Ca 0.71 -1.29 0.00 0.00 0.01 0.00 0.00 55.36 54.78 1qa2 s GLN 366 Cb -0.25 -1.69 0.00 0.00 -1.01 0.00 0.00 33.01 30.06 1qa2 s GLN 366 CO 0.45 0.39 0.00 0.41 0.01 0.00 0.00 175.29 176.55 1qa2 n GLY 367 N 0.91 -1.69 3.73 3.09 0.00 -0.93 -4.83 105.19 105.49 1qa2 n GLY 367 Ca -0.18 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.13 1qa2 n GLY 367 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1qa2 s THR 368 N 0.00 5.07 -0.19 2.61 2.01 -1.26 -1.87 115.64 122.01 1qa2 s THR 368 Ca 0.00 1.17 0.01 0.00 0.31 0.00 0.00 61.69 63.18 1qa2 s THR 368 Cb 0.00 -3.91 0.04 0.00 0.01 0.00 0.00 72.50 68.64 1qa2 s THR 368 CO 0.00 0.33 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.47 1qa2 s VAL 369 N 0.42 1.59 0.00 3.82 1.01 0.38 -4.92 120.40 122.70 1qa2 s VAL 369 Ca 0.31 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.34 1qa2 s VAL 369 Cb -0.17 -1.66 0.00 0.00 0.00 0.00 0.00 36.38 34.55 1qa2 s VAL 369 CO 0.14 0.19 0.00 0.61 0.00 0.00 0.00 175.10 176.04 1qa2 n GLY 370 N 4.71 1.89 0.24 4.51 0.00 -1.26 -2.69 105.19 112.58 1qa2 n GLY 370 Ca -0.15 -0.52 0.04 0.00 0.00 0.00 0.00 46.02 45.40 1qa2 n GLY 370 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1qa2 n SER 371 N 8.57 2.45 -3.79 1.61 2.88 -1.26 -5.04 113.62 119.04 1qa2 n SER 371 Ca 0.00 -2.30 -0.20 0.00 -1.33 0.00 0.00 58.87 55.04 1qa2 n SER 371 Cb 0.00 -0.18 -0.09 0.00 -0.75 0.00 0.00 64.21 63.19 1qa2 n SER 371 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1qa2 s THR 372 N -1.53 0.22 0.31 2.46 -1.32 -1.09 -4.71 115.64 109.98 1qa2 s THR 372 Ca 0.15 -2.00 -0.27 0.00 -1.21 0.00 0.00 61.69 58.36 1qa2 s THR 372 Cb 0.11 -2.47 -0.09 0.00 -1.51 0.00 0.00 72.50 68.53 1qa2 s THR 372 CO 0.05 0.00 0.98 0.28 -2.21 0.00 0.00 174.62 173.72 1qa2 s THR 373 N -3.52 4.02 -1.28 5.08 -1.32 -0.81 -0.47 115.64 117.35 1qa2 s THR 373 Ca 0.36 1.78 0.12 0.00 -1.21 0.00 0.00 61.69 62.73 1qa2 s THR 373 Cb 0.04 -4.04 0.19 0.00 -1.51 0.00 0.00 72.50 67.18 1qa2 s THR 373 CO 0.20 0.24 1.04 -1.54 -2.21 0.00 0.00 174.62 172.35 1qa2 n SER 374 N 0.77 2.39 -4.67 8.08 3.41 -0.78 -4.50 113.62 118.33 1qa2 n SER 374 Ca 0.01 -1.70 -0.30 0.00 -0.26 0.00 0.00 58.87 56.62 1qa2 n SER 374 Cb 0.49 -0.10 0.16 0.00 -0.26 0.00 0.00 64.21 64.50 1qa2 n SER 374 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 1qa2 s ARG 375 N -0.99 0.96 0.04 4.33 0.52 -1.25 -1.09 118.95 121.46 1qa2 s ARG 375 Ca 0.18 1.13 0.03 0.00 -0.52 0.00 0.00 55.73 56.55 1qa2 s ARG 375 Cb 0.11 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.81 1qa2 s ARG 375 CO 0.16 -2.54 -0.09 -0.80 0.02 0.00 0.00 175.30 172.05 1qa2 s ASN 376 N -3.01 1.07 0.08 0.23 -0.87 -1.26 -2.29 114.94 108.89 1qa2 s ASN 376 Ca 0.65 -0.47 0.02 0.00 -1.57 0.00 0.00 52.86 51.49 1qa2 s ASN 376 Cb -0.21 -0.02 -0.04 0.00 -0.02 0.00 0.00 41.25 40.97 1qa2 s ASN 376 CO 0.58 -0.10 -0.07 -0.31 -2.57 0.00 0.00 177.10 174.64 1qa2 s TYR 377 N -1.07 0.82 -1.57 2.20 1.51 -0.28 -4.88 117.35 114.08 1qa2 s TYR 377 Ca -0.05 -0.84 -0.12 0.00 -1.01 0.00 0.00 57.07 55.05 1qa2 s TYR 377 Cb -0.08 -0.48 0.09 0.00 -0.11 0.00 0.00 41.96 41.38 1qa2 s TYR 377 CO 0.01 -0.15 0.78 0.09 -1.11 0.00 0.00 175.55 175.16 1qa2 n ASN 378 N 0.28 -3.08 -4.76 2.29 3.02 -0.20 -1.91 115.26 110.90 1qa2 n ASN 378 Ca -0.14 -0.92 -0.22 0.00 -0.03 0.00 0.00 54.58 53.26 1qa2 n ASN 378 Cb 0.60 -3.27 -0.05 0.00 -0.61 0.00 0.00 39.78 36.44 1qa2 n ASN 378 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1qa2 s LEU 379 N -7.18 3.52 -0.05 3.41 1.43 -1.26 -3.23 118.68 115.31 1qa2 s LEU 379 Ca 0.52 -0.47 -0.03 0.00 -1.03 0.00 0.00 54.13 53.12 1qa2 s LEU 379 Cb -0.28 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 43.86 1qa2 s LEU 379 CO 0.88 -0.09 0.11 -1.10 0.23 0.00 0.00 176.35 176.38 1qa2 s GLN 380 N -3.80 3.24 -0.32 1.70 -0.21 -0.10 -0.61 119.66 119.56 1qa2 s GLN 380 Ca 0.34 -0.33 -0.02 0.00 0.02 0.00 0.00 55.36 55.36 1qa2 s GLN 380 Cb -0.07 -3.00 0.12 0.00 1.00 0.00 0.00 33.01 31.07 1qa2 s GLN 380 CO 0.23 0.70 0.17 -0.06 -2.12 0.00 0.00 175.29 174.21 1qa2 s PHE 381 N -1.12 0.46 0.05 0.91 0.40 -0.12 -0.78 117.98 117.78 1qa2 s PHE 381 Ca 0.20 -1.18 -0.03 0.00 -0.60 0.00 0.00 56.93 55.32 1qa2 s PHE 381 Cb -0.12 -0.89 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1qa2 s PHE 381 CO 0.10 -0.83 0.02 1.03 0.70 0.00 0.00 175.22 176.24 1qa2 s ARG 382 N 1.67 0.57 -1.68 0.44 0.52 -0.53 -2.27 118.95 117.66 1qa2 s ARG 382 Ca 0.13 -0.99 -0.14 0.00 -0.52 0.00 0.00 55.73 54.21 1qa2 s ARG 382 Cb -0.19 0.21 0.13 0.00 0.52 0.00 0.00 34.95 35.62 1qa2 s ARG 382 CO -0.21 -0.12 0.55 -0.25 0.02 0.00 0.00 175.30 175.29 1qa2 n ASP 383 N 0.50 -1.73 -4.45 0.23 10.43 -0.47 -2.29 116.55 118.77 1qa2 n ASP 383 Ca -0.17 -1.12 -0.24 0.00 2.57 0.00 0.00 54.79 55.83 1qa2 n ASP 383 Cb 0.60 -2.29 -0.10 0.00 1.84 0.00 0.00 41.12 41.16 1qa2 n ASP 383 CO 0.00 0.00 0.00 -0.44 -1.07 0.00 0.00 177.20 175.69 1qa2 s SER 384 N -3.63 3.45 -0.03 -2.24 0.01 -1.17 -2.25 113.70 107.83 1qa2 s SER 384 Ca 0.53 -1.00 0.03 0.00 1.31 0.00 0.00 55.95 56.82 1qa2 s SER 384 Cb -0.30 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.66 1qa2 s SER 384 CO 0.96 0.03 -0.13 -0.69 0.41 0.00 0.00 173.24 173.82 1qa2 s VAL 385 N -2.44 1.10 -0.10 3.43 1.01 -0.06 -1.53 120.40 121.81 1qa2 s VAL 385 Ca 0.28 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.72 1qa2 s VAL 385 Cb -0.05 -0.96 0.02 0.00 0.00 0.00 0.00 36.38 35.39 1qa2 s VAL 385 CO 0.13 0.33 -0.09 -0.69 0.00 0.00 0.00 175.10 174.78 1qa2 s VAL 386 N 0.12 1.06 -0.03 2.92 1.01 -0.47 -1.50 120.40 123.51 1qa2 s VAL 386 Ca -0.03 -0.34 0.05 0.00 0.00 0.00 0.00 61.98 61.66 1qa2 s VAL 386 Cb -0.10 -1.05 -0.01 0.00 0.00 0.00 0.00 36.38 35.22 1qa2 s VAL 386 CO 0.01 0.37 -0.19 0.27 0.00 0.00 0.00 175.10 175.56 1qa2 s ILE 387 N 1.47 1.51 -1.46 2.22 -4.36 -0.35 -1.47 121.20 118.77 1qa2 s ILE 387 Ca 0.01 -0.79 -0.09 0.00 -0.26 0.00 0.00 60.65 59.53 1qa2 s ILE 387 Cb -0.13 -1.28 0.05 0.00 1.25 0.00 0.00 42.46 42.36 1qa2 s ILE 387 CO -0.06 0.43 0.84 -1.22 0.24 0.00 0.00 174.94 175.18 1qa2 n TYR 388 N 2.89 -2.11 -2.64 1.37 4.02 0.43 -1.20 117.16 119.92 1qa2 n TYR 388 Ca -0.17 0.87 -0.34 0.00 -0.01 0.00 0.00 57.90 58.26 1qa2 n TYR 388 Cb 0.53 -4.06 -0.05 0.00 -0.02 0.00 0.00 39.34 35.74 1qa2 n TYR 388 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 1qa2 s PRO 389 N -6.42 3.97 0.23 -0.72 0.04 -1.26 -3.35 135.00 127.49 1qa2 s PRO 389 Ca 0.40 1.26 0.04 0.00 0.04 0.00 0.00 61.00 62.74 1qa2 s PRO 389 Cb -0.20 -2.13 0.24 0.00 0.04 0.00 0.00 34.50 32.45 1qa2 s PRO 389 CO 0.83 -0.28 1.55 0.28 0.04 0.00 0.00 177.00 179.43 1qa2 h VAL 390 N 1.67 1.39 0.00 -0.36 2.07 -0.77 -0.97 116.25 119.28 1qa2 h VAL 390 Ca -0.49 -2.01 0.00 0.00 0.82 0.00 0.00 66.70 65.02 1qa2 h VAL 390 Cb 1.20 2.02 0.00 0.00 -1.52 0.00 0.00 31.29 33.00 1qa2 h VAL 390 CO 0.60 0.59 0.00 0.79 0.02 0.00 0.00 177.57 179.57 1qa2 n TRP 391 N -3.86 0.00 -4.04 1.57 7.02 -0.01 -3.34 117.44 114.78 1qa2 n TRP 391 Ca -0.02 0.00 -0.22 0.00 -1.02 0.00 0.00 57.50 56.24 1qa2 n TRP 391 Cb 0.63 0.00 -0.04 0.00 -2.42 0.00 0.00 31.31 29.48 1qa2 n TRP 391 CO 0.00 0.00 0.00 -0.51 -2.02 0.00 0.00 177.69 175.16 1qa2 s ASP 392 N -0.18 5.63 -0.02 -0.99 1.01 -1.24 -1.18 116.67 119.71 1qa2 s ASP 392 Ca 0.00 -0.23 -0.06 0.00 0.71 0.00 0.00 52.55 52.97 1qa2 s ASP 392 Cb 0.00 -1.42 -0.03 0.00 1.01 0.00 0.00 42.92 42.48 1qa2 s ASP 392 CO 0.00 -0.09 0.47 1.23 0.21 0.00 0.00 175.17 176.99 1qa2 h GLY 393 N 1.40 -0.22 -5.90 0.21 0.00 -0.55 -1.54 103.07 96.47 1qa2 h GLY 393 Ca -0.49 0.08 -0.61 0.00 0.00 0.00 0.00 47.33 46.31 1qa2 h GLY 393 CO 0.60 -0.08 -0.85 -1.36 0.00 0.00 0.00 176.54 174.86 1qa2 s PHE 394 N -2.37 2.20 -0.50 5.60 0.08 -0.82 -1.86 117.98 120.31 1qa2 s PHE 394 Ca -0.03 -1.07 0.02 0.00 0.12 0.00 0.00 56.93 55.97 1qa2 s PHE 394 Cb 0.00 -1.55 0.13 0.00 -0.57 0.00 0.00 43.02 41.03 1qa2 s PHE 394 CO 0.09 -0.52 0.26 0.34 -0.10 0.00 0.00 175.22 175.28 1qa2 s ASP 395 N 0.94 4.64 -0.26 1.36 2.15 0.45 -0.87 116.67 125.08 1qa2 s ASP 395 Ca -0.07 -2.77 0.12 0.00 0.43 0.00 0.00 52.55 50.27 1qa2 s ASP 395 Cb -0.15 -1.69 0.62 0.00 -0.30 0.00 0.00 42.92 41.39 1qa2 s ASP 395 CO -0.02 -0.30 1.59 0.18 -0.17 0.00 0.00 175.17 176.45 1qa2 n LEU 396 N 3.48 4.83 -4.85 -1.34 4.77 0.15 -1.43 117.00 122.61 1qa2 n LEU 396 Ca 0.05 -3.26 -0.31 0.00 -0.03 0.00 0.00 56.01 52.47 1qa2 n LEU 396 Cb 0.36 -0.65 0.04 0.00 -2.33 0.00 0.00 43.42 40.84 1qa2 n LEU 396 CO 0.32 0.85 0.73 -0.83 -1.33 0.00 0.00 177.39 177.12 1qa2 s GLY 397 N -1.70 1.64 0.00 -0.72 0.00 -1.26 -4.23 107.32 101.06 1qa2 s GLY 397 Ca 0.48 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 45.04 1qa2 s GLY 397 CO 0.09 0.17 0.00 0.00 0.00 0.00 0.00 173.10 173.36 1qa2 n ALA 398 N -3.02 1.90 -2.76 3.20 0.00 -1.26 -4.48 120.51 114.09 1qa2 n ALA 398 Ca 0.07 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.19 1qa2 n ALA 398 Cb 0.55 0.20 -0.07 0.00 0.00 0.00 0.00 19.45 20.13 1qa2 n ALA 398 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1qa2 s ASP 399 N -2.69 5.50 -0.24 0.00 -0.00 -1.26 -2.18 116.67 115.80 1qa2 s ASP 399 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 52.55 52.59 1qa2 s ASP 399 Cb 0.00 -1.50 -0.15 0.00 -0.00 0.00 0.00 42.92 41.27 1qa2 s ASP 399 CO 0.00 0.22 -0.23 0.35 -0.00 0.00 0.00 175.17 175.51 1qa2 n THR 400 N 0.85 1.38 -0.94 -1.27 -2.24 -1.26 -4.87 114.28 105.93 1qa2 n THR 400 Ca -0.11 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.17 1qa2 n THR 400 Cb 0.52 -1.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.34 1qa2 n THR 400 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1qa2 n ASP 407 N -3.33 -1.55 -3.76 3.42 10.43 -1.26 -4.96 116.55 115.54 1qa2 n ASP 407 Ca -0.43 0.00 -0.28 0.00 2.57 0.00 0.00 54.79 56.65 1qa2 n ASP 407 Cb 0.94 -0.80 -0.11 0.00 1.84 0.00 0.00 41.12 42.99 1qa2 n ASP 407 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 1qa2 n ARG 408 N -2.06 1.73 -1.68 -1.24 1.74 -1.26 -4.96 116.66 108.93 1qa2 n ARG 408 Ca 0.00 -4.34 -0.45 0.00 -0.77 0.00 0.00 57.85 52.29 1qa2 n ARG 408 Cb 0.05 -2.19 -0.04 0.00 -1.02 0.00 0.00 32.46 29.26 1qa2 n ARG 408 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1qa2 n PRO 409 N 1.87 2.27 -0.99 5.56 -0.04 -1.26 -1.08 135.00 141.33 1qa2 n PRO 409 Ca 0.23 0.82 0.00 0.00 -0.04 0.00 0.00 63.50 64.50 1qa2 n PRO 409 Cb 0.38 -2.59 0.00 0.00 -0.04 0.00 0.00 33.50 31.25 1qa2 n PRO 409 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1qa2 n GLY 410 N 3.29 0.87 0.19 0.55 0.00 -1.26 -1.92 105.19 106.90 1qa2 n GLY 410 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 1qa2 n GLY 410 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1qa2 n ASP 411 N 0.00 0.20 -4.74 1.61 4.64 -0.24 -4.72 116.55 113.31 1qa2 n ASP 411 Ca 0.00 -1.12 -0.42 0.00 -1.38 0.00 0.00 54.79 51.87 1qa2 n ASP 411 Cb 0.00 0.09 -0.02 0.00 -1.04 0.00 0.00 41.12 40.14 1qa2 n ASP 411 CO 0.00 0.00 0.00 -0.31 -0.82 0.00 0.00 177.20 176.07 1qa2 s TYR 412 N -1.97 2.94 0.58 -0.67 1.51 -1.26 -4.84 117.35 113.65 1qa2 s TYR 412 Ca 0.02 0.80 -0.18 0.00 -1.01 0.00 0.00 57.07 56.70 1qa2 s TYR 412 Cb 0.00 -3.95 -0.04 0.00 -0.11 0.00 0.00 41.96 37.86 1qa2 s TYR 412 CO 0.01 -3.26 1.12 -1.25 -1.11 0.00 0.00 175.55 171.06 1qa2 s PRO 413 N 0.06 3.18 0.62 -1.71 0.04 -1.26 -4.48 135.00 131.45 1qa2 s PRO 413 Ca 0.64 1.52 0.32 0.00 0.04 0.00 0.00 61.00 63.52 1qa2 s PRO 413 Cb -0.45 -1.99 1.83 0.00 0.04 0.00 0.00 34.50 33.93 1qa2 s PRO 413 CO 0.41 -0.97 2.14 0.82 0.04 0.00 0.00 177.00 179.44 1qa2 h ILE 414 N 0.79 0.29 0.00 0.56 1.08 -1.94 0.38 117.51 118.68 1qa2 h ILE 414 Ca -0.49 0.00 -0.07 0.00 -0.39 0.00 0.00 64.86 63.91 1qa2 h ILE 414 Cb 1.25 0.85 -0.01 0.00 -3.07 0.00 0.00 36.82 35.85 1qa2 h ILE 414 CO 0.56 0.00 -0.35 0.71 -0.69 0.00 0.00 178.15 178.38 1qa2 h THR 415 N 0.00 0.73 0.00 -0.27 1.35 -1.98 -3.16 112.91 109.58 1qa2 h THR 415 Ca 0.05 -1.61 -0.09 0.00 -0.55 0.00 0.00 66.41 64.22 1qa2 h THR 415 Cb 0.39 2.05 -0.01 0.00 -1.73 0.00 0.00 68.15 68.84 1qa2 h THR 415 CO -0.00 0.35 -0.58 -0.61 -0.25 0.00 0.00 175.52 174.43 1qa2 h GLN 416 N 0.00 0.00 -4.45 4.72 4.15 -1.32 -3.45 115.11 114.76 1qa2 h GLN 416 Ca -0.00 0.00 -0.59 0.00 0.77 0.00 0.00 58.65 58.83 1qa2 h GLN 416 Cb 1.02 0.00 -0.37 0.00 0.21 0.00 0.00 27.48 28.34 1qa2 h GLN 416 CO 0.05 0.64 -0.81 0.71 -1.93 0.00 0.00 178.83 177.48 1qa2 s TYR 417 N -2.17 2.09 1.15 3.99 2.02 -0.64 -5.05 117.35 118.73 1qa2 s TYR 417 Ca -0.19 -1.30 -0.13 0.00 -0.37 0.00 0.00 57.07 55.08 1qa2 s TYR 417 Cb 0.02 -1.51 0.28 0.00 -0.40 0.00 0.00 41.96 40.35 1qa2 s TYR 417 CO 0.45 -0.67 1.04 -2.14 -1.57 0.00 0.00 175.55 172.65 1qa2 s PRO 418 N 1.51 -0.82 0.30 -1.71 0.02 -1.20 -4.13 135.00 128.97 1qa2 s PRO 418 Ca 0.01 0.90 -0.29 0.00 0.02 0.00 0.00 61.00 61.63 1qa2 s PRO 418 Cb -0.15 -1.56 -0.13 0.00 0.02 0.00 0.00 34.50 32.69 1qa2 s PRO 418 CO -0.09 -3.68 1.39 -0.11 -0.33 0.00 0.00 177.00 174.19 1qa2 n LEU 419 N -4.89 3.57 0.00 -5.54 7.94 -1.26 -1.70 117.00 115.12 1qa2 n LEU 419 Ca 0.04 1.18 0.00 0.00 -1.11 0.00 0.00 56.01 56.11 1qa2 n LEU 419 Cb 0.54 -1.49 0.00 0.00 0.53 0.00 0.00 43.42 43.00 1qa2 n LEU 419 CO 0.57 -0.36 0.00 1.41 -1.11 0.00 0.00 177.39 177.90 1qa2 n HIS 420 N 1.18 0.00 -1.64 1.96 8.25 -1.26 -4.88 115.22 118.83 1qa2 n HIS 420 Ca 0.08 0.00 0.05 0.00 -0.26 0.00 0.00 57.72 57.59 1qa2 n HIS 420 Cb 0.35 -1.13 0.20 0.00 1.12 0.00 0.00 29.99 30.53 1qa2 n HIS 420 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1qa2 n GLN 421 N -0.80 1.62 -2.55 -0.41 6.02 -0.69 -0.18 117.38 120.39 1qa2 n GLN 421 Ca 0.00 -3.31 -0.36 0.00 -0.01 0.00 0.00 57.00 53.32 1qa2 n GLN 421 Cb 0.26 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.88 1qa2 n GLN 421 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1qa2 s LEU 422 N -3.18 4.06 -1.44 1.08 1.43 -1.26 -4.20 118.68 115.18 1qa2 s LEU 422 Ca 0.38 2.00 -0.13 0.00 -1.03 0.00 0.00 54.13 55.36 1qa2 s LEU 422 Cb 0.37 -4.29 0.05 0.00 0.03 0.00 0.00 46.19 42.36 1qa2 s LEU 422 CO -0.07 -0.57 2.23 -0.81 0.23 0.00 0.00 176.35 177.37 1qa2 n PRO 423 N -0.31 3.09 -0.33 1.29 -0.04 -1.26 -1.60 135.00 135.84 1qa2 n PRO 423 Ca 0.06 -2.75 -0.00 0.00 -0.04 0.00 0.00 63.50 60.77 1qa2 n PRO 423 Cb 0.50 -3.17 0.13 0.00 -0.04 0.00 0.00 33.50 30.92 1qa2 n PRO 423 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1qa2 h LEU 424 N 9.28 0.93 2.75 1.53 3.38 -1.90 -3.46 115.31 127.82 1qa2 h LEU 424 Ca 0.57 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 58.12 1qa2 h LEU 424 Cb 0.60 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1qa2 h LEU 424 CO 1.83 0.62 -0.52 0.59 0.09 0.00 0.00 178.44 181.05 1qa2 n ASN 425 N -4.55 -5.89 -4.77 -0.43 4.13 -1.26 -1.03 115.26 101.45 1qa2 n ASN 425 Ca 0.12 0.05 -0.34 0.00 1.68 0.00 0.00 54.58 56.09 1qa2 n ASN 425 Cb 0.12 -4.94 0.04 0.00 -1.54 0.00 0.00 39.78 33.46 1qa2 n ASN 425 CO 0.00 0.00 0.00 -1.00 0.28 0.00 0.00 177.26 176.54 1qa2 s HIS 426 N -3.01 2.57 -0.46 3.10 3.76 -1.26 -4.22 115.29 115.77 1qa2 s HIS 426 Ca 0.00 1.55 -0.14 0.00 -0.15 0.00 0.00 55.06 56.32 1qa2 s HIS 426 Cb 0.00 -3.25 0.07 0.00 1.11 0.00 0.00 32.58 30.51 1qa2 s HIS 426 CO 0.00 -1.77 0.36 -1.17 -0.85 0.00 0.00 174.74 171.31 1qa2 s LEU 427 N -4.52 5.50 -0.20 0.89 2.96 0.22 -4.76 118.68 118.76 1qa2 s LEU 427 Ca 0.70 -1.32 0.00 0.00 -0.22 0.00 0.00 54.13 53.29 1qa2 s LEU 427 Cb -0.23 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.33 1qa2 s LEU 427 CO 0.37 -0.61 -0.15 -0.63 -1.32 0.00 0.00 176.35 174.01 1qa2 s ILE 428 N 1.61 2.38 -0.20 6.68 1.01 -1.26 -0.94 121.20 130.47 1qa2 s ILE 428 Ca 0.04 -0.93 -0.26 0.00 0.00 0.00 0.00 60.65 59.50 1qa2 s ILE 428 Cb -0.24 -2.07 0.07 0.00 0.01 0.00 0.00 42.46 40.23 1qa2 s ILE 428 CO 0.06 0.43 0.68 -0.62 0.00 0.00 0.00 174.94 175.50 1qa2 s ASP 429 N 1.31 -0.69 -0.88 3.58 2.15 -0.96 -2.45 116.67 118.72 1qa2 s ASP 429 Ca 0.03 1.19 -0.04 0.00 0.43 0.00 0.00 52.55 54.17 1qa2 s ASP 429 Cb -0.14 1.17 -0.02 0.00 -0.30 0.00 0.00 42.92 43.62 1qa2 s ASP 429 CO -0.10 -0.34 0.76 -3.20 -0.17 0.00 0.00 175.17 172.12 1qa2 n ASN 430 N 2.22 -6.94 -4.35 -0.34 5.15 -0.92 -2.18 115.26 107.90 1qa2 n ASN 430 Ca -0.15 -0.44 -0.31 0.00 -0.60 0.00 0.00 54.58 53.08 1qa2 n ASN 430 Cb 0.56 -4.72 -0.15 0.00 -0.53 0.00 0.00 39.78 34.93 1qa2 n ASN 430 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1qa2 s LEU 431 N -4.75 2.20 -0.06 1.20 1.43 -1.03 -1.37 118.68 116.31 1qa2 s LEU 431 Ca 0.18 -0.46 0.04 0.00 -1.03 0.00 0.00 54.13 52.86 1qa2 s LEU 431 Cb -0.04 -1.37 -0.00 0.00 0.03 0.00 0.00 46.19 44.82 1qa2 s LEU 431 CO 0.77 0.31 -0.18 -0.22 0.23 0.00 0.00 176.35 177.26 1qa2 s LEU 432 N -0.82 1.90 -0.04 1.79 2.96 -0.58 -1.20 118.68 122.70 1qa2 s LEU 432 Ca 0.11 -0.38 0.02 0.00 -0.22 0.00 0.00 54.13 53.65 1qa2 s LEU 432 Cb -0.10 -1.04 0.01 0.00 0.50 0.00 0.00 46.19 45.56 1qa2 s LEU 432 CO 0.00 0.14 -0.08 -0.69 -1.32 0.00 0.00 176.35 174.40 1qa2 s VAL 433 N 0.18 0.77 -0.05 1.68 1.01 -0.31 -1.37 120.40 122.31 1qa2 s VAL 433 Ca -0.08 -0.31 -0.04 0.00 0.00 0.00 0.00 61.98 61.55 1qa2 s VAL 433 Cb -0.13 -0.71 0.02 0.00 0.00 0.00 0.00 36.38 35.55 1qa2 s VAL 433 CO 0.04 0.26 0.13 -0.60 0.00 0.00 0.00 175.10 174.92 1qa2 s ARG 434 N 0.47 0.14 -0.26 2.72 3.52 -0.54 -0.86 118.95 124.13 1qa2 s ARG 434 Ca -0.08 0.22 0.00 0.00 -0.13 0.00 0.00 55.73 55.75 1qa2 s ARG 434 Cb -0.11 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.30 1qa2 s ARG 434 CO 0.01 -0.05 0.00 0.41 -0.81 0.00 0.00 175.30 174.86 1qa2 n GLY 435 N 3.27 0.58 3.76 8.12 0.00 -0.62 -0.43 105.19 119.87 1qa2 n GLY 435 Ca -0.15 -0.64 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 1qa2 n GLY 435 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa2 s ALA 436 N -2.04 3.57 -0.38 4.61 0.00 -1.25 -3.95 121.76 122.32 1qa2 s ALA 436 Ca 0.00 1.35 0.22 0.00 0.00 0.00 0.00 51.96 53.53 1qa2 s ALA 436 Cb 0.00 -3.54 0.26 0.00 0.00 0.00 0.00 23.12 19.84 1qa2 s ALA 436 CO 0.00 -0.76 1.51 1.25 0.00 0.00 0.00 175.76 177.75 1qa2 h LEU 437 N 4.04 0.00 0.00 0.00 5.85 -1.28 0.73 115.31 124.65 1qa2 h LEU 437 Ca -0.48 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.24 1qa2 h LEU 437 Cb 1.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.25 1qa2 h LEU 437 CO 0.71 0.05 0.00 0.61 -0.34 0.00 0.00 178.44 179.47 1qa2 n GLY 438 N 1.13 1.43 3.80 3.75 0.00 -0.32 -3.67 105.19 111.31 1qa2 n GLY 438 Ca 0.03 -0.39 -0.38 0.00 0.00 0.00 0.00 46.02 45.28 1qa2 n GLY 438 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1qa2 s VAL 439 N 4.16 4.94 -0.02 1.61 1.01 -1.23 -1.61 120.40 129.27 1qa2 s VAL 439 Ca 0.00 1.03 -0.22 0.00 0.00 0.00 0.00 61.98 62.79 1qa2 s VAL 439 Cb 0.00 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.43 1qa2 s VAL 439 CO 0.00 0.52 0.96 1.23 0.00 0.00 0.00 175.10 177.81 1qa2 h GLY 440 N 5.05 -0.52 -6.78 4.51 0.00 -0.97 -0.80 103.07 103.57 1qa2 h GLY 440 Ca -0.49 0.19 -0.48 0.00 0.00 0.00 0.00 47.33 46.55 1qa2 h GLY 440 CO 0.65 -0.19 -0.79 -0.12 0.00 0.00 0.00 176.54 176.10 1qa2 s PHE 441 N -4.00 1.10 0.02 5.60 5.36 0.78 -1.94 117.98 124.91 1qa2 s PHE 441 Ca -0.12 -0.47 0.04 0.00 -0.96 0.00 0.00 56.93 55.42 1qa2 s PHE 441 Cb 0.01 -1.02 -0.02 0.00 -0.34 0.00 0.00 43.02 41.65 1qa2 s PHE 441 CO 0.42 -0.42 -0.12 0.20 -1.46 0.00 0.00 175.22 173.85 1qa2 s GLY 442 N 1.77 0.67 0.12 13.12 0.00 -0.05 -1.21 107.32 121.74 1qa2 s GLY 442 Ca 0.04 -0.70 -0.26 0.00 0.00 0.00 0.00 44.72 43.81 1qa2 s GLY 442 CO -0.06 -0.66 1.05 -3.16 0.00 0.00 0.00 173.10 170.27 1qa2 s MET 443 N -0.88 1.03 0.34 2.90 0.23 -1.08 -0.67 119.30 121.16 1qa2 s MET 443 Ca 0.01 -0.59 0.04 0.00 -1.03 0.00 0.00 55.69 54.12 1qa2 s MET 443 Cb -0.07 0.34 -0.01 0.00 -1.53 0.00 0.00 34.83 33.55 1qa2 s MET 443 CO 0.01 -0.47 0.36 -0.40 -2.03 0.00 0.00 175.02 172.49 1qa2 n ASP 444 N -0.62 -0.97 0.00 -1.18 5.75 -1.26 -1.39 116.55 116.89 1qa2 n ASP 444 Ca -0.06 -3.05 0.00 0.00 -0.01 0.00 0.00 54.79 51.67 1qa2 n ASP 444 Cb 0.61 2.01 0.00 0.00 -1.03 0.00 0.00 41.12 42.71 1qa2 n ASP 444 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1qa2 n GLY 445 N -0.61 2.90 3.27 6.12 0.00 0.75 -4.78 105.19 112.84 1qa2 n GLY 445 Ca 0.05 -2.00 -0.24 0.00 0.00 0.00 0.00 46.02 43.82 1qa2 n GLY 445 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1qa2 s LYS 446 N -2.20 1.21 -1.22 1.61 2.20 -0.63 -2.02 119.74 118.69 1qa2 s LYS 446 Ca 0.00 -1.09 0.00 0.00 -0.36 0.00 0.00 55.97 54.52 1qa2 s LYS 446 Cb 0.00 -1.43 0.00 0.00 -1.51 0.00 0.00 37.83 34.89 1qa2 s LYS 446 CO 0.00 0.34 0.00 0.41 -0.36 0.00 0.00 175.35 175.74 1qa2 n GLY 447 N 1.33 0.05 3.87 5.54 0.00 -0.90 -4.48 105.19 110.60 1qa2 n GLY 447 Ca -0.19 -0.32 -0.31 0.00 0.00 0.00 0.00 46.02 45.20 1qa2 n GLY 447 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1qa2 s MET 448 N -4.46 3.84 -0.14 1.61 -1.94 -1.26 -4.89 119.30 112.06 1qa2 s MET 448 Ca 0.00 0.44 0.02 0.00 -1.71 0.00 0.00 55.69 54.43 1qa2 s MET 448 Cb 0.00 -2.49 0.02 0.00 2.01 0.00 0.00 34.83 34.37 1qa2 s MET 448 CO 0.00 0.13 -0.18 0.71 -0.01 0.00 0.00 175.02 175.67 1qa2 s TYR 449 N -2.09 2.39 -0.03 -0.03 2.02 -1.26 -0.66 117.35 117.69 1qa2 s TYR 449 Ca 0.50 -1.26 0.04 0.00 -0.37 0.00 0.00 57.07 55.98 1qa2 s TYR 449 Cb -0.10 -1.68 -0.00 0.00 -0.40 0.00 0.00 41.96 39.77 1qa2 s TYR 449 CO 0.24 -0.62 -0.14 0.08 -1.57 0.00 0.00 175.55 173.54 1qa2 s VAL 450 N 1.10 1.21 0.01 0.71 1.01 -0.06 -4.39 120.40 119.98 1qa2 s VAL 450 Ca -0.02 -0.60 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1qa2 s VAL 450 Cb -0.14 -1.04 -0.00 0.00 0.00 0.00 0.00 36.38 35.19 1qa2 s VAL 450 CO -0.06 0.35 0.11 -0.94 0.00 0.00 0.00 175.10 174.57 1qa2 s SER 451 N 0.04 0.09 -1.09 3.32 1.04 -1.03 -0.69 113.70 115.38 1qa2 s SER 451 Ca -0.02 -0.32 -0.14 0.00 0.48 0.00 0.00 55.95 55.95 1qa2 s SER 451 Cb -0.10 0.20 -0.04 0.00 0.10 0.00 0.00 66.02 66.19 1qa2 s SER 451 CO 0.01 -0.40 0.85 0.59 0.98 0.00 0.00 173.24 175.27 1qa2 n ASN 452 N 1.27 -6.00 -4.51 7.02 3.02 -0.34 -2.42 115.26 113.30 1qa2 n ASN 452 Ca -0.22 -0.86 -0.34 0.00 -0.03 0.00 0.00 54.58 53.13 1qa2 n ASN 452 Cb 0.56 -4.26 -0.12 0.00 -0.61 0.00 0.00 39.78 35.36 1qa2 n ASN 452 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1qa2 s ILE 453 N -3.42 3.88 -0.16 2.41 -1.09 -1.14 -2.17 121.20 119.52 1qa2 s ILE 453 Ca 0.46 -0.37 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1qa2 s ILE 453 Cb -0.12 -2.69 0.03 0.00 -1.58 0.00 0.00 42.46 38.10 1qa2 s ILE 453 CO 0.80 0.51 -0.12 -0.89 -1.23 0.00 0.00 174.94 174.01 1qa2 s THR 454 N 0.22 1.47 -0.10 2.92 2.01 -0.34 -0.62 115.64 121.20 1qa2 s THR 454 Ca -0.02 -0.66 0.03 0.00 0.31 0.00 0.00 61.69 61.34 1qa2 s THR 454 Cb -0.14 -1.45 0.01 0.00 0.01 0.00 0.00 72.50 70.93 1qa2 s THR 454 CO 0.03 0.36 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.45 1qa2 s VAL 455 N 1.51 1.63 0.01 3.82 1.01 0.13 -1.16 120.40 127.36 1qa2 s VAL 455 Ca 0.03 -0.75 0.02 0.00 0.00 0.00 0.00 61.98 61.29 1qa2 s VAL 455 Cb -0.14 -1.46 -0.01 0.00 0.00 0.00 0.00 36.38 34.77 1qa2 s VAL 455 CO -0.10 0.47 -0.07 -1.61 0.00 0.00 0.00 175.10 173.79 1qa2 s GLU 456 N 0.71 0.52 -0.98 2.72 2.02 -0.04 -0.64 118.70 123.01 1qa2 s GLU 456 Ca -0.12 -0.43 -0.13 0.00 0.02 0.00 0.00 54.97 54.32 1qa2 s GLU 456 Cb -0.16 -0.44 -0.00 0.00 0.10 0.00 0.00 34.13 33.63 1qa2 s GLU 456 CO 0.03 0.11 0.72 -3.47 0.02 0.00 0.00 175.26 172.66 1qa2 n ASP 457 N 2.38 -5.59 -4.53 -0.19 4.64 -0.38 -2.57 116.55 110.31 1qa2 n ASP 457 Ca -0.17 -0.85 -0.31 0.00 -1.38 0.00 0.00 54.79 52.09 1qa2 n ASP 457 Cb 0.57 -3.15 -0.11 0.00 -1.04 0.00 0.00 41.12 37.39 1qa2 n ASP 457 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1qa2 h ALA 459 N 4.18 0.49 -3.86 0.00 0.00 -1.01 -0.86 119.26 118.20 1qa2 h ALA 459 Ca -0.48 -0.72 0.00 0.00 0.00 0.00 0.00 54.91 53.71 1qa2 h ALA 459 Cb 1.16 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1qa2 h ALA 459 CO 0.50 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.05 1qa2 n GLY 460 N 0.88 3.01 3.61 0.00 0.00 -0.63 -2.04 105.19 110.01 1qa2 n GLY 460 Ca -0.04 -2.14 -0.44 0.00 0.00 0.00 0.00 46.02 43.39 1qa2 n GLY 460 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qa2 n SER 461 N -1.91 1.55 -0.13 1.61 7.64 -1.26 -0.34 113.62 120.78 1qa2 n SER 461 Ca 0.00 1.18 -0.12 0.00 1.01 0.00 0.00 58.87 60.95 1qa2 n SER 461 Cb 0.00 -1.32 -0.00 0.00 -1.01 0.00 0.00 64.21 61.88 1qa2 n SER 461 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1qa2 h GLY 462 N 2.09 1.03 -6.07 0.23 0.00 -0.70 -0.77 103.07 98.89 1qa2 h GLY 462 Ca -0.41 -0.98 -0.23 0.00 0.00 0.00 0.00 47.33 45.71 1qa2 h GLY 462 CO 0.61 0.89 -0.59 0.00 0.00 0.00 0.00 176.54 177.45 1qa2 s ALA 463 N -4.52 -0.27 -0.32 3.60 0.00 -1.01 -0.15 121.76 119.08 1qa2 s ALA 463 Ca -0.11 0.61 0.01 0.00 0.00 0.00 0.00 51.96 52.47 1qa2 s ALA 463 Cb 0.12 -0.40 0.10 0.00 0.00 0.00 0.00 23.12 22.94 1qa2 s ALA 463 CO 0.87 -0.13 0.07 -0.47 0.00 0.00 0.00 175.76 176.10 1qa2 s TYR 464 N 0.92 2.67 -0.37 0.00 6.14 -0.35 -1.66 117.35 124.70 1qa2 s TYR 464 Ca -0.07 -2.31 -0.03 0.00 0.64 0.00 0.00 57.07 55.29 1qa2 s TYR 464 Cb -0.09 -2.26 0.08 0.00 0.42 0.00 0.00 41.96 40.11 1qa2 s TYR 464 CO -0.05 -0.91 0.13 -0.51 0.64 0.00 0.00 175.55 174.86 1qa2 s LEU 465 N 1.28 4.70 -1.00 6.97 1.43 0.11 -2.64 118.68 129.53 1qa2 s LEU 465 Ca 0.10 -1.64 -0.03 0.00 -1.03 0.00 0.00 54.13 51.53 1qa2 s LEU 465 Cb -0.18 -1.81 0.24 0.00 0.03 0.00 0.00 46.19 44.47 1qa2 s LEU 465 CO -0.17 -0.43 2.14 0.18 0.23 0.00 0.00 176.35 178.31 1qa2 n LEU 466 N 4.65 7.47 -4.68 1.79 4.77 -0.48 -1.55 117.00 128.97 1qa2 n LEU 466 Ca -0.08 -4.98 -0.24 0.00 -0.03 0.00 0.00 56.01 50.68 1qa2 n LEU 466 Cb 0.43 -1.21 -0.07 0.00 -2.33 0.00 0.00 43.42 40.23 1qa2 n LEU 466 CO 0.31 1.96 -0.30 0.42 -1.33 0.00 0.00 177.39 178.45 1qa2 s THR 467 N -3.35 3.75 0.01 -5.08 -4.23 -1.26 -3.10 115.64 102.38 1qa2 s THR 467 Ca 0.48 -1.60 0.01 0.00 -1.18 0.00 0.00 61.69 59.40 1qa2 s THR 467 Cb 0.26 -2.95 -0.01 0.00 1.34 0.00 0.00 72.50 71.14 1qa2 s THR 467 CO -0.19 -0.25 -0.03 -2.28 -0.54 0.00 0.00 174.62 171.34 1qa2 s HIS 468 N -2.02 0.22 -1.56 3.99 2.46 -0.85 -1.37 115.29 116.16 1qa2 s HIS 468 Ca 0.30 -0.18 -0.11 0.00 0.47 0.00 0.00 55.06 55.54 1qa2 s HIS 468 Cb -0.08 -0.14 0.09 0.00 -0.13 0.00 0.00 32.58 32.31 1qa2 s HIS 468 CO 0.20 -0.05 0.70 0.39 -2.47 0.00 0.00 174.74 173.51 1qa2 n GLU 469 N 2.57 -3.77 -4.42 2.88 1.02 0.36 -2.12 120.64 117.16 1qa2 n GLU 469 Ca -0.16 0.44 -0.22 0.00 -0.02 0.00 0.00 57.16 57.20 1qa2 n GLU 469 Cb 0.58 -5.00 -0.10 0.00 -0.02 0.00 0.00 31.44 26.90 1qa2 n GLU 469 CO 0.00 0.00 0.00 -1.12 1.18 0.00 0.00 177.13 177.19 1qa2 s SER 470 N -3.69 3.22 -0.08 1.62 0.01 -1.26 -2.30 113.70 111.21 1qa2 s SER 470 Ca 0.45 -1.01 0.04 0.00 1.31 0.00 0.00 55.95 56.75 1qa2 s SER 470 Cb -0.24 -0.24 -0.00 0.00 0.21 0.00 0.00 66.02 65.75 1qa2 s SER 470 CO 0.89 -0.02 -0.23 -0.69 0.41 0.00 0.00 173.24 173.60 1qa2 s VAL 471 N -2.57 1.92 -0.18 3.43 1.01 0.17 -1.33 120.40 122.85 1qa2 s VAL 471 Ca 0.26 -0.95 0.00 0.00 0.00 0.00 0.00 61.98 61.29 1qa2 s VAL 471 Cb -0.04 -1.65 0.01 0.00 0.00 0.00 0.00 36.38 34.70 1qa2 s VAL 471 CO 0.12 0.53 -0.16 -0.36 0.00 0.00 0.00 175.10 175.22 1qa2 s PHE 472 N 0.22 2.80 -0.10 5.22 0.08 -0.02 -0.88 117.98 125.29 1qa2 s PHE 472 Ca -0.13 -1.35 0.03 0.00 0.12 0.00 0.00 56.93 55.60 1qa2 s PHE 472 Cb -0.16 -1.93 -0.01 0.00 -0.57 0.00 0.00 43.02 40.35 1qa2 s PHE 472 CO 0.07 -0.66 -0.21 0.99 -0.10 0.00 0.00 175.22 175.30 1qa2 s THR 473 N 1.15 2.31 -0.79 0.64 2.01 0.14 -0.76 115.64 120.35 1qa2 s THR 473 Ca 0.01 -0.94 -0.01 0.00 0.31 0.00 0.00 61.69 61.06 1qa2 s THR 473 Cb -0.14 -1.90 -0.00 0.00 0.01 0.00 0.00 72.50 70.47 1qa2 s THR 473 CO -0.07 0.55 0.69 -3.20 -0.69 0.00 0.00 174.62 171.91 1qa2 n ASN 474 N 3.38 -7.00 -4.64 3.53 5.15 -0.32 -1.20 115.26 114.15 1qa2 n ASN 474 Ca -0.18 -0.33 -0.35 0.00 -0.60 0.00 0.00 54.58 53.12 1qa2 n ASN 474 Cb 0.53 -4.41 -0.10 0.00 -0.53 0.00 0.00 39.78 35.26 1qa2 n ASN 474 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1qa2 s ILE 475 N -3.03 4.33 -0.20 -1.44 -1.09 -0.36 -2.90 121.20 116.51 1qa2 s ILE 475 Ca 0.03 -0.22 0.01 0.00 -2.23 0.00 0.00 60.65 58.24 1qa2 s ILE 475 Cb -0.01 -2.86 0.04 0.00 -1.58 0.00 0.00 42.46 38.05 1qa2 s ILE 475 CO 0.79 0.55 -0.11 0.00 -1.23 0.00 0.00 174.94 174.94 1qa2 s ALA 476 N -0.38 2.07 -0.37 9.38 0.00 0.21 -0.87 121.76 131.80 1qa2 s ALA 476 Ca 0.07 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.81 1qa2 s ALA 476 Cb -0.12 -1.29 0.11 0.00 0.00 0.00 0.00 23.12 21.81 1qa2 s ALA 476 CO 0.02 -0.80 0.11 0.42 0.00 0.00 0.00 175.76 175.51 1qa2 s ILE 477 N 1.36 2.62 -0.31 0.00 -1.09 0.07 -0.69 121.20 123.16 1qa2 s ILE 477 Ca -0.01 -2.30 -0.04 0.00 -2.23 0.00 0.00 60.65 56.07 1qa2 s ILE 477 Cb -0.16 -2.88 0.04 0.00 -1.58 0.00 0.00 42.46 37.88 1qa2 s ILE 477 CO -0.08 -0.64 0.04 -0.63 -1.23 0.00 0.00 174.94 172.40 1qa2 s ILE 478 N 0.92 3.31 -0.77 2.92 -1.09 0.19 -3.26 121.20 123.42 1qa2 s ILE 478 Ca 0.10 -1.26 -0.00 0.00 -2.23 0.00 0.00 60.65 57.26 1qa2 s ILE 478 Cb -0.20 -2.88 -0.00 0.00 -1.58 0.00 0.00 42.46 37.80 1qa2 s ILE 478 CO -0.07 -0.12 0.69 0.47 -1.23 0.00 0.00 174.94 174.69 1qa2 n ASP 479 N 4.70 -7.33 -4.64 3.58 10.43 -1.26 -1.25 116.55 120.78 1qa2 n ASP 479 Ca -0.13 -0.23 -0.30 0.00 2.57 0.00 0.00 54.79 56.71 1qa2 n ASP 479 Cb 0.44 -4.78 -0.09 0.00 1.84 0.00 0.00 41.12 38.52 1qa2 n ASP 479 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 1qa2 s THR 480 N -3.02 1.44 -1.41 -3.53 -4.23 -1.26 -1.89 115.64 101.74 1qa2 s THR 480 Ca 0.02 -2.00 -0.09 0.00 -1.18 0.00 0.00 61.69 58.44 1qa2 s THR 480 Cb -0.00 -2.54 0.06 0.00 1.34 0.00 0.00 72.50 71.36 1qa2 s THR 480 CO 0.77 0.00 0.63 -3.20 -0.54 0.00 0.00 174.62 172.28 1qa2 n ASN 481 N -1.12 -4.52 0.27 3.99 5.15 0.54 -4.84 115.26 114.73 1qa2 n ASN 481 Ca -0.12 -0.46 0.18 0.00 -0.60 0.00 0.00 54.58 53.58 1qa2 n ASN 481 Cb 0.67 -3.68 0.83 0.00 -0.53 0.00 0.00 39.78 37.06 1qa2 n ASN 481 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 1qa2 h THR 482 N -1.32 0.00 -0.32 -0.44 1.35 -1.25 -2.09 112.91 108.85 1qa2 h THR 482 Ca -0.49 -0.27 0.00 0.00 -0.55 0.00 0.00 66.41 65.10 1qa2 h THR 482 Cb 1.33 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 68.94 1qa2 h THR 482 CO 0.58 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 176.14 1qa2 n LYS 483 N -2.91 2.95 -3.15 4.72 5.02 -0.87 -4.98 118.16 118.95 1qa2 n LYS 483 Ca -0.01 -2.48 -0.22 0.00 -2.02 0.00 0.00 58.31 53.59 1qa2 n LYS 483 Cb 0.20 -1.58 0.01 0.00 -0.02 0.00 0.00 35.03 33.63 1qa2 n LYS 483 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1qa2 n ASP 484 N 0.03 -4.38 0.17 4.39 8.00 -0.78 -4.85 116.55 119.12 1qa2 n ASP 484 Ca 0.17 -0.28 0.01 0.00 0.71 0.00 0.00 54.79 55.40 1qa2 n ASP 484 Cb 0.68 -3.61 0.32 0.00 -0.02 0.00 0.00 41.12 38.48 1qa2 n ASP 484 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 1qa2 h PHE 485 N -0.95 0.03 -0.49 1.24 0.04 -1.81 -3.45 116.94 111.55 1qa2 h PHE 485 Ca -0.44 -0.01 -0.67 0.00 2.80 0.00 0.00 57.97 59.65 1qa2 h PHE 485 Cb 1.30 -0.01 -0.13 0.00 2.20 0.00 0.00 35.95 39.31 1qa2 h PHE 485 CO 0.64 0.43 -0.52 -0.65 -0.60 0.00 0.00 178.31 177.61 1qa2 s GLN 486 N -4.11 2.17 0.09 1.51 1.11 -1.26 -5.00 119.66 114.18 1qa2 s GLN 486 Ca -0.03 -2.37 0.27 0.00 0.01 0.00 0.00 55.36 53.24 1qa2 s GLN 486 Cb 0.14 -1.55 0.83 0.00 -1.01 0.00 0.00 33.01 31.43 1qa2 s GLN 486 CO 0.74 -0.33 1.70 0.00 0.01 0.00 0.00 175.29 177.40 1qa2 n ALA 487 N -1.24 2.59 -3.75 6.09 0.00 -1.26 -4.95 120.51 118.00 1qa2 n ALA 487 Ca -0.18 -0.14 -0.08 0.00 0.00 0.00 0.00 53.44 53.05 1qa2 n ALA 487 Cb 0.67 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.73 1qa2 n ALA 487 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1qa2 s ASN 488 N -3.72 -0.30 0.03 0.00 6.03 -1.25 -1.91 114.94 113.82 1qa2 s ASN 488 Ca 0.11 -0.53 -0.10 0.00 -1.03 0.00 0.00 52.86 51.31 1qa2 s ASN 488 Cb 0.16 0.70 -0.32 0.00 -3.03 0.00 0.00 41.25 38.75 1qa2 s ASN 488 CO 0.61 -1.28 0.98 1.56 -2.03 0.00 0.00 177.10 176.95 1qa2 h GLN 489 N 2.02 0.41 -3.55 3.55 4.20 -0.92 -3.38 115.11 117.44 1qa2 h GLN 489 Ca -0.22 -0.70 -0.32 0.00 0.06 0.00 0.00 58.65 57.47 1qa2 h GLN 489 Cb 1.26 0.26 -0.35 0.00 0.30 0.00 0.00 27.48 28.96 1qa2 h GLN 489 CO 0.26 1.33 -0.74 -1.50 -0.67 0.00 0.00 178.83 177.51 1qa2 s ILE 490 N -2.62 0.00 -0.07 2.54 2.07 -0.23 -0.02 121.20 122.88 1qa2 s ILE 490 Ca -0.08 0.21 0.05 0.00 -1.41 0.00 0.00 60.65 59.41 1qa2 s ILE 490 Cb 0.05 -0.14 -0.00 0.00 0.13 0.00 0.00 42.46 42.50 1qa2 s ILE 490 CO 0.91 0.11 -0.23 -0.47 -1.91 0.00 0.00 174.94 173.36 1qa2 s TYR 491 N 1.18 2.31 -0.08 3.50 5.04 -0.67 -1.44 117.35 127.20 1qa2 s TYR 491 Ca -0.08 -0.80 -0.00 0.00 -2.44 0.00 0.00 57.07 53.75 1qa2 s TYR 491 Cb -0.13 -1.54 0.02 0.00 0.35 0.00 0.00 41.96 40.67 1qa2 s TYR 491 CO -0.03 -0.29 -0.04 0.42 -1.34 0.00 0.00 175.55 174.28 1qa2 s ILE 492 N 0.11 0.64 -0.15 3.14 1.01 -0.70 0.05 121.20 125.31 1qa2 s ILE 492 Ca -0.10 -0.08 -0.27 0.00 0.00 0.00 0.00 60.65 60.20 1qa2 s ILE 492 Cb -0.15 -0.72 -0.24 0.00 0.01 0.00 0.00 42.46 41.36 1qa2 s ILE 492 CO 0.05 0.29 0.66 0.77 0.00 0.00 0.00 174.94 176.72 1qa2 h SER 493 N 7.99 0.00 -2.99 3.58 4.64 -1.49 -3.36 113.55 121.93 1qa2 h SER 493 Ca -0.27 -0.89 -0.10 0.00 -0.47 0.00 0.00 61.79 60.06 1qa2 h SER 493 Cb 1.13 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.26 1qa2 h SER 493 CO 0.36 1.03 0.07 0.61 -0.87 0.00 0.00 176.83 178.02 1qa2 n GLY 494 N 1.60 -0.39 3.56 -0.77 0.00 -0.47 -4.45 105.19 104.28 1qa2 n GLY 494 Ca -0.12 -1.80 -0.40 0.00 0.00 0.00 0.00 46.02 43.69 1qa2 n GLY 494 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa2 s ALA 495 N -3.51 2.67 0.44 4.61 0.00 -1.26 -4.06 121.76 120.64 1qa2 s ALA 495 Ca 0.16 -2.18 0.05 0.00 0.00 0.00 0.00 51.96 49.99 1qa2 s ALA 495 Cb -0.01 -4.52 -0.06 0.00 0.00 0.00 0.00 23.12 18.54 1qa2 s ALA 495 CO 0.11 -3.65 0.01 0.00 0.00 0.00 0.00 175.76 172.23 1qa2 s ARG 497 N -3.77 2.55 -0.17 0.00 1.81 -0.44 -1.52 118.95 117.40 1qa2 s ARG 497 Ca 0.26 -0.69 -0.00 0.00 -1.72 0.00 0.00 55.73 53.58 1qa2 s ARG 497 Cb 0.07 -2.07 0.01 0.00 -0.45 0.00 0.00 34.95 32.51 1qa2 s ARG 497 CO 0.13 0.01 -0.15 0.08 -0.68 0.00 0.00 175.30 174.69 1qa2 s VAL 498 N 0.78 2.55 -0.39 3.52 1.01 -0.46 -0.84 120.40 126.57 1qa2 s VAL 498 Ca -0.10 -0.79 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1qa2 s VAL 498 Cb -0.16 -2.09 0.11 0.00 0.00 0.00 0.00 36.38 34.24 1qa2 s VAL 498 CO 0.01 0.51 0.12 0.21 0.00 0.00 0.00 175.10 175.95 1qa2 s ASN 499 N 1.10 4.51 0.00 3.32 3.84 0.06 -2.03 114.94 125.75 1qa2 s ASN 499 Ca 0.00 -2.37 0.00 0.00 0.21 0.00 0.00 52.86 50.70 1qa2 s ASN 499 Cb -0.14 -1.53 0.00 0.00 -0.55 0.00 0.00 41.25 39.03 1qa2 s ASN 499 CO -0.05 -0.34 0.00 0.61 -2.79 0.00 0.00 177.10 174.53 1qa2 n GLY 500 N 3.96 0.01 2.67 1.21 0.00 -0.41 -1.18 105.19 111.45 1qa2 n GLY 500 Ca 0.04 -0.82 -0.25 0.00 0.00 0.00 0.00 46.02 44.99 1qa2 n GLY 500 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1qa2 s LEU 501 N 0.00 0.53 -0.20 0.99 2.96 -0.78 -1.22 118.68 120.96 1qa2 s LEU 501 Ca 0.00 -0.46 -0.10 0.00 -0.22 0.00 0.00 54.13 53.35 1qa2 s LEU 501 Cb 0.00 -0.33 -0.05 0.00 0.50 0.00 0.00 46.19 46.31 1qa2 s LEU 501 CO 0.00 -0.30 0.13 -0.13 -1.32 0.00 0.00 176.35 174.73 1qa2 s ARG 502 N 2.06 4.18 0.05 1.98 0.52 -0.05 -1.44 118.95 126.24 1qa2 s ARG 502 Ca 0.02 -0.23 0.04 0.00 -0.52 0.00 0.00 55.73 55.05 1qa2 s ARG 502 Cb -0.15 -3.43 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 1qa2 s ARG 502 CO -0.07 0.27 -0.12 -0.51 0.02 0.00 0.00 175.30 174.89 1qa2 s LEU 503 N 0.43 2.21 0.04 2.53 1.43 -0.40 -0.75 118.68 124.17 1qa2 s LEU 503 Ca 0.08 -0.51 0.00 0.00 -1.03 0.00 0.00 54.13 52.67 1qa2 s LEU 503 Cb -0.11 -0.47 0.00 0.00 0.03 0.00 0.00 46.19 45.64 1qa2 s LEU 503 CO -0.01 -0.05 0.00 -0.38 0.23 0.00 0.00 176.35 176.14 1qa2 n ILE 504 N 1.67 -2.45 0.00 -0.59 2.08 -1.20 -3.83 119.36 115.04 1qa2 n ILE 504 Ca -0.20 0.36 0.00 0.00 0.56 0.00 0.00 62.75 63.47 1qa2 n ILE 504 Cb 0.55 -1.84 0.00 0.00 -0.75 0.00 0.00 39.64 37.59 1qa2 n ILE 504 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 1qa2 n GLY 505 N -0.08 0.41 0.11 7.39 0.00 -1.26 -4.64 105.19 107.12 1qa2 n GLY 505 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.04 1qa2 n GLY 505 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 1qa2 n ILE 506 N 0.00 0.00 0.00 -0.61 3.06 -1.26 -4.96 119.36 115.59 1qa2 n ILE 506 Ca 0.00 -0.44 0.00 0.00 -2.50 0.00 0.00 62.75 59.81 1qa2 n ILE 506 Cb 0.00 1.06 0.00 0.00 0.54 0.00 0.00 39.64 41.24 1qa2 n ILE 506 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1qa2 n ARG 507 N -0.42 0.00 -1.26 9.51 1.74 -1.26 -5.17 116.66 119.80 1qa2 n ARG 507 Ca 0.02 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.73 1qa2 n ARG 507 Cb 0.10 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 31.59 1qa2 n ARG 507 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1qa2 n LEU 514 N 0.00 -1.28 -0.08 0.55 4.77 -0.80 -4.98 117.00 115.18 1qa2 n LEU 514 Ca 0.00 0.59 -0.14 0.00 -0.03 0.00 0.00 56.01 56.43 1qa2 n LEU 514 Cb 0.00 -1.05 -0.10 0.00 -2.33 0.00 0.00 43.42 39.94 1qa2 n LEU 514 CO 0.00 -3.93 0.03 0.74 -1.33 0.00 0.00 177.39 172.90 1qa2 h THR 515 N -0.23 1.21 -3.51 -5.08 2.02 -1.08 -3.04 112.91 103.20 1qa2 h THR 515 Ca -0.44 -2.05 -0.49 0.00 0.77 0.00 0.00 66.41 64.19 1qa2 h THR 515 Cb 1.38 2.43 -0.33 0.00 -1.74 0.00 0.00 68.15 69.90 1qa2 h THR 515 CO 0.41 0.41 -0.81 -0.51 0.37 0.00 0.00 175.52 175.39 1qa2 s ILE 516 N -2.18 1.04 -0.30 3.11 2.07 -1.05 -0.94 121.20 122.95 1qa2 s ILE 516 Ca -0.19 -0.44 -0.00 0.00 -1.41 0.00 0.00 60.65 58.61 1qa2 s ILE 516 Cb 0.00 -0.95 0.09 0.00 0.13 0.00 0.00 42.46 41.74 1qa2 s ILE 516 CO 0.55 0.33 0.07 -0.62 -1.91 0.00 0.00 174.94 173.36 1qa2 s ASP 517 N 0.59 4.00 -0.39 4.50 2.15 -0.52 -1.16 116.67 125.84 1qa2 s ASP 517 Ca -0.12 -1.59 0.08 0.00 0.43 0.00 0.00 52.55 51.35 1qa2 s ASP 517 Cb -0.14 -0.96 0.26 0.00 -0.30 0.00 0.00 42.92 41.77 1qa2 s ASP 517 CO 0.03 -0.39 0.53 0.00 -0.17 0.00 0.00 175.17 175.17 1qa2 n ALA 518 N 4.78 2.41 -0.38 3.66 0.00 0.17 -1.72 120.51 129.43 1qa2 n ALA 518 Ca -0.03 -3.40 0.31 0.00 0.00 0.00 0.00 53.44 50.32 1qa2 n ALA 518 Cb 0.43 -0.82 0.62 0.00 0.00 0.00 0.00 19.45 19.68 1qa2 n ALA 518 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1qa2 h PRO 519 N 3.95 0.19 -0.33 0.00 0.11 -1.71 -1.58 132.00 132.63 1qa2 h PRO 519 Ca 0.07 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.17 1qa2 h PRO 519 Cb 0.88 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1qa2 h PRO 519 CO 0.46 0.12 0.00 0.09 -0.21 0.00 0.00 178.00 178.47 1qa2 n ASN 520 N -4.50 2.87 -4.85 -2.05 3.02 -1.26 -3.40 115.26 105.09 1qa2 n ASN 520 Ca 0.30 -1.97 -0.28 0.00 -0.03 0.00 0.00 54.58 52.59 1qa2 n ASN 520 Cb 1.18 -0.22 -0.05 0.00 -0.61 0.00 0.00 39.78 40.09 1qa2 n ASN 520 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1qa2 s SER 521 N -1.00 5.90 -0.17 6.41 0.01 -0.60 -3.90 113.70 120.35 1qa2 s SER 521 Ca 0.23 0.06 -0.05 0.00 1.31 0.00 0.00 55.95 57.50 1qa2 s SER 521 Cb 0.12 -1.68 -0.03 0.00 0.21 0.00 0.00 66.02 64.64 1qa2 s SER 521 CO 0.16 0.12 0.00 -0.89 0.41 0.00 0.00 173.24 173.04 1qa2 s THR 522 N -1.59 4.25 0.07 1.44 2.01 -0.58 -0.63 115.64 120.61 1qa2 s THR 522 Ca 0.32 -0.23 0.07 0.00 0.31 0.00 0.00 61.69 62.16 1qa2 s THR 522 Cb -0.12 -2.89 -0.03 0.00 0.01 0.00 0.00 72.50 69.48 1qa2 s THR 522 CO 0.25 0.48 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.79 1qa2 s VAL 523 N 0.41 1.44 -0.03 3.82 1.01 0.10 -1.35 120.40 125.81 1qa2 s VAL 523 Ca -0.01 -1.33 -0.09 0.00 0.00 0.00 0.00 61.98 60.55 1qa2 s VAL 523 Cb -0.13 -1.31 0.01 0.00 0.00 0.00 0.00 36.38 34.94 1qa2 s VAL 523 CO 0.02 -0.05 0.20 -0.55 0.00 0.00 0.00 175.10 174.72 1qa2 s SER 524 N -1.61 -0.09 -0.31 3.32 0.15 -0.86 -2.25 113.70 112.04 1qa2 s SER 524 Ca 0.03 0.04 -0.02 0.00 0.70 0.00 0.00 55.95 56.71 1qa2 s SER 524 Cb -0.09 0.30 0.00 0.00 -1.71 0.00 0.00 66.02 64.52 1qa2 s SER 524 CO 0.03 -0.30 0.27 0.61 1.20 0.00 0.00 173.24 175.04 1qa2 n GLY 525 N 1.84 0.54 3.75 9.45 0.00 -1.26 -1.29 105.19 118.21 1qa2 n GLY 525 Ca -0.20 -0.44 -0.40 0.00 0.00 0.00 0.00 46.02 44.98 1qa2 n GLY 525 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1qa2 s ILE 526 N -3.08 4.25 0.06 -0.61 1.01 -1.26 -1.87 121.20 119.72 1qa2 s ILE 526 Ca 0.11 2.02 0.05 0.00 0.00 0.00 0.00 60.65 62.83 1qa2 s ILE 526 Cb -0.05 -4.30 -0.03 0.00 0.01 0.00 0.00 42.46 38.10 1qa2 s ILE 526 CO 0.17 0.45 -0.14 0.42 0.00 0.00 0.00 174.94 175.84 1qa2 s THR 527 N -0.82 1.12 0.00 2.92 -4.23 -0.52 -4.94 115.64 109.17 1qa2 s THR 527 Ca 0.42 -1.24 0.00 0.00 -1.18 0.00 0.00 61.69 59.68 1qa2 s THR 527 Cb -0.25 -1.06 0.00 0.00 1.34 0.00 0.00 72.50 72.53 1qa2 s THR 527 CO 0.30 -0.18 0.00 0.61 -0.54 0.00 0.00 174.62 174.82 1qa2 n GLY 528 N 1.41 3.51 2.05 3.99 0.00 -1.26 -1.27 105.19 113.62 1qa2 n GLY 528 Ca -0.21 -1.86 -0.16 0.00 0.00 0.00 0.00 46.02 43.79 1qa2 n GLY 528 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1qa2 n MET 529 N -1.27 2.25 -2.41 1.61 2.81 -1.25 -4.94 117.12 113.92 1qa2 n MET 529 Ca 0.00 -1.18 -0.37 0.00 -1.81 0.00 0.00 57.70 54.35 1qa2 n MET 529 Cb 0.00 -2.12 -0.03 0.00 -0.71 0.00 0.00 33.22 30.36 1qa2 n MET 529 CO 0.00 0.00 0.00 0.54 1.51 0.00 0.00 175.97 178.02 1qa2 s VAL 530 N 1.20 3.44 -0.36 2.03 0.11 -1.26 -4.96 120.40 120.61 1qa2 s VAL 530 Ca 0.67 1.08 -0.22 0.00 -2.93 0.00 0.00 61.98 60.58 1qa2 s VAL 530 Cb 0.30 -3.55 0.01 0.00 -1.53 0.00 0.00 36.38 31.60 1qa2 s VAL 530 CO -0.01 -0.01 0.75 -0.62 -3.33 0.00 0.00 175.10 171.88 1qa2 s ASP 531 N -1.48 6.53 0.57 3.54 3.68 -1.26 -4.95 116.67 123.30 1qa2 s ASP 531 Ca 0.61 0.33 0.27 0.00 2.13 0.00 0.00 52.55 55.88 1qa2 s ASP 531 Cb -0.25 -2.38 1.53 0.00 -1.45 0.00 0.00 42.92 40.38 1qa2 s ASP 531 CO 0.31 -0.69 2.04 -0.65 0.13 0.00 0.00 175.17 176.31 1qa2 h PRO 532 N 8.44 0.00 0.00 4.34 0.11 -1.94 -0.02 132.00 142.93 1qa2 h PRO 532 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1qa2 h PRO 532 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1qa2 h PRO 532 CO 0.89 0.00 0.00 -1.13 -0.21 0.00 0.00 178.00 177.55 1qa2 n SER 533 N -3.98 0.05 -1.53 -2.05 3.41 -1.24 -2.74 113.62 105.55 1qa2 n SER 533 Ca 0.05 0.51 0.08 0.00 -0.26 0.00 0.00 58.87 59.24 1qa2 n SER 533 Cb 0.44 -0.52 0.35 0.00 -0.26 0.00 0.00 64.21 64.22 1qa2 n SER 533 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1qa2 n ARG 534 N -1.55 4.18 -4.60 4.33 1.74 -0.02 -4.91 116.66 115.83 1qa2 n ARG 534 Ca 0.04 -3.05 -0.33 0.00 -0.77 0.00 0.00 57.85 53.74 1qa2 n ARG 534 Cb 0.22 -2.12 -0.14 0.00 -1.02 0.00 0.00 32.46 29.40 1qa2 n ARG 534 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1qa2 s ILE 535 N -2.80 3.24 -0.19 0.55 1.01 -1.11 -0.48 121.20 121.43 1qa2 s ILE 535 Ca 0.50 -0.59 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 1qa2 s ILE 535 Cb 0.39 -2.39 0.06 0.00 0.01 0.00 0.00 42.46 40.53 1qa2 s ILE 535 CO 0.13 0.51 0.05 0.21 0.00 0.00 0.00 174.94 175.84 1qa2 s ASN 536 N 0.48 2.74 0.23 3.58 2.47 -0.31 -5.01 114.94 119.13 1qa2 s ASN 536 Ca -0.08 -0.76 0.01 0.00 0.42 0.00 0.00 52.86 52.45 1qa2 s ASN 536 Cb -0.15 -0.49 -0.04 0.00 -1.45 0.00 0.00 41.25 39.12 1qa2 s ASN 536 CO 0.04 -0.32 0.15 0.68 -3.72 0.00 0.00 177.10 173.93 1qa2 s VAL 537 N 1.94 0.06 0.03 -5.21 -7.23 -1.26 -0.66 120.40 108.08 1qa2 s VAL 537 Ca -0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 1qa2 s VAL 537 Cb -0.17 -2.51 -0.35 0.00 0.56 0.00 0.00 36.38 33.91 1qa2 s VAL 537 CO -0.08 0.00 1.00 0.00 -0.31 0.00 0.00 175.10 175.71 1qa2 h ALA 538 N 2.51 -0.15 -2.43 1.32 0.00 -0.87 -3.46 119.26 116.17 1qa2 h ALA 538 Ca -0.34 -0.85 -0.08 0.00 0.00 0.00 0.00 54.91 53.64 1qa2 h ALA 538 Cb 1.25 0.17 -0.24 0.00 0.00 0.00 0.00 17.79 18.97 1qa2 h ALA 538 CO 0.51 0.67 -0.13 1.21 0.00 0.00 0.00 179.25 181.51 1qa2 s ASN 539 N -7.56 -0.61 -0.10 0.00 3.04 -1.10 -5.00 114.94 103.61 1qa2 s ASN 539 Ca -0.09 1.10 0.01 0.00 0.04 0.00 0.00 52.86 53.91 1qa2 s ASN 539 Cb 0.04 1.05 0.02 0.00 -1.54 0.00 0.00 41.25 40.81 1qa2 s ASN 539 CO 0.94 -0.20 -0.11 -0.22 -3.04 0.00 0.00 177.10 174.47 1qa2 s LEU 540 N 0.84 1.50 -0.06 3.21 2.96 -1.26 -0.72 118.68 125.15 1qa2 s LEU 540 Ca -0.05 -0.35 -0.22 0.00 -0.22 0.00 0.00 54.13 53.30 1qa2 s LEU 540 Cb -0.05 -0.93 0.05 0.00 0.50 0.00 0.00 46.19 45.76 1qa2 s LEU 540 CO -0.07 -0.04 0.50 0.00 -1.32 0.00 0.00 176.35 175.43 1qa2 s ALA 541 N 1.20 -1.28 -0.62 5.97 0.00 -0.96 -5.01 121.76 121.06 1qa2 s ALA 541 Ca -0.04 0.94 0.04 0.00 0.00 0.00 0.00 51.96 52.91 1qa2 s ALA 541 Cb -0.14 -0.13 0.16 0.00 0.00 0.00 0.00 23.12 23.01 1qa2 s ALA 541 CO -0.03 -0.30 0.41 -1.21 0.00 0.00 0.00 175.76 174.63 1qa2 s GLU 542 N -0.97 2.14 0.25 0.00 0.41 -1.26 -4.40 118.70 114.87 1qa2 s GLU 542 Ca -0.10 -2.99 0.09 0.00 -0.41 0.00 0.00 54.97 51.56 1qa2 s GLU 542 Cb -0.03 -3.15 0.29 0.00 -1.78 0.00 0.00 34.13 29.46 1qa2 s GLU 542 CO 0.06 -1.25 1.57 0.93 -0.49 0.00 0.00 175.26 176.08 1qa2 h GLU 543 N 5.75 0.05 -0.88 1.61 4.39 -1.99 -3.37 114.58 120.14 1qa2 h GLU 543 Ca 0.10 -0.04 -0.59 0.00 0.34 0.00 0.00 59.36 59.17 1qa2 h GLU 543 Cb 0.81 0.01 -0.39 0.00 -0.10 0.00 0.00 28.75 29.07 1qa2 h GLU 543 CO 0.66 0.68 -0.37 0.41 -1.16 0.00 0.00 179.01 179.24 1qa2 n GLY 544 N 0.34 6.24 3.89 -3.84 0.00 -1.26 -5.04 105.19 105.52 1qa2 n GLY 544 Ca -0.01 -2.58 -0.29 0.00 0.00 0.00 0.00 46.02 43.13 1qa2 n GLY 544 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1qa2 s LEU 545 N -3.66 3.39 0.00 0.99 1.43 -1.26 -5.09 118.68 114.49 1qa2 s LEU 545 Ca 0.54 1.18 0.00 0.00 -1.03 0.00 0.00 54.13 54.82 1qa2 s LEU 545 Cb 0.43 -4.18 0.00 0.00 0.03 0.00 0.00 46.19 42.48 1qa2 s LEU 545 CO 0.01 -0.76 0.00 0.61 0.23 0.00 0.00 176.35 176.44 1qa2 n GLY 546 N -2.54 1.77 3.76 -3.19 0.00 -1.26 -5.02 105.19 98.72 1qa2 n GLY 546 Ca 0.04 -1.88 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1qa2 n GLY 546 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1qa2 s ASN 547 N -1.00 6.52 0.05 1.61 0.01 -1.26 -4.99 114.94 115.87 1qa2 s ASN 547 Ca 0.00 2.87 0.06 0.00 -0.71 0.00 0.00 52.86 55.07 1qa2 s ASN 547 Cb 0.00 -2.65 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 1qa2 s ASN 547 CO 0.00 -0.76 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.08 1qa2 s ILE 548 N -0.71 3.29 -0.06 0.60 1.01 -1.26 -5.12 121.20 118.95 1qa2 s ILE 548 Ca 0.55 -1.06 0.01 0.00 0.00 0.00 0.00 60.65 60.15 1qa2 s ILE 548 Cb -0.44 -2.45 0.02 0.00 0.01 0.00 0.00 42.46 39.60 1qa2 s ILE 548 CO 0.54 0.29 -0.05 -0.60 0.00 0.00 0.00 174.94 175.12 1qa2 s ARG 549 N -1.67 0.97 -0.34 2.79 3.52 -1.26 -5.11 118.95 117.86 1qa2 s ARG 549 Ca 0.18 -0.13 -0.13 0.00 -0.13 0.00 0.00 55.73 55.52 1qa2 s ARG 549 Cb -0.11 -1.00 -0.02 0.00 -1.56 0.00 0.00 34.95 32.27 1qa2 s ARG 549 CO 0.09 -0.11 0.27 0.00 -0.81 0.00 0.00 175.30 174.73 1qa2 s ALA 550 N 1.10 3.51 -0.28 6.12 0.00 -1.26 -5.06 121.76 125.89 1qa2 s ALA 550 Ca -0.08 -1.33 -0.10 0.00 0.00 0.00 0.00 51.96 50.46 1qa2 s ALA 550 Cb -0.14 -2.69 -0.03 0.00 0.00 0.00 0.00 23.12 20.25 1qa2 s ALA 550 CO -0.01 -0.97 0.14 -0.80 0.00 0.00 0.00 175.76 174.12 1qa2 s ASN 551 N 1.73 5.61 -0.20 0.00 0.01 -1.26 -4.92 114.94 115.91 1qa2 s ASN 551 Ca 0.07 -0.21 -0.07 0.00 -0.71 0.00 0.00 52.86 51.94 1qa2 s ASN 551 Cb -0.17 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.42 1qa2 s ASN 551 CO 0.11 -0.09 0.06 -0.55 -1.51 0.00 0.00 177.10 175.12 1qa2 s SER 552 N 1.68 5.50 -0.03 -1.22 0.15 -1.26 -5.06 113.70 113.45 1qa2 s SER 552 Ca 0.06 0.01 0.07 0.00 0.70 0.00 0.00 55.95 56.79 1qa2 s SER 552 Cb -0.16 -1.95 -0.02 0.00 -1.71 0.00 0.00 66.02 62.18 1qa2 s SER 552 CO 0.07 0.12 -0.24 -0.36 1.20 0.00 0.00 173.24 174.04 1qa2 s PHE 553 N 0.68 2.41 0.00 3.44 0.40 -1.26 -4.70 117.98 118.94 1qa2 s PHE 553 Ca 0.03 -0.41 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 1qa2 s PHE 553 Cb -0.13 -1.53 0.00 0.00 0.51 0.00 0.00 43.02 41.86 1qa2 s PHE 553 CO 0.02 -0.01 0.00 0.41 0.70 0.00 0.00 175.22 176.33 1qa2 n GLY 554 N 2.47 0.41 3.31 4.36 0.00 -1.26 -5.00 105.19 109.48 1qa2 n GLY 554 Ca -0.16 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.68 1qa2 n GLY 554 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qa2 s TYR 555 N -2.03 1.56 -2.10 1.61 2.02 -1.26 -5.02 117.35 112.13 1qa2 s TYR 555 Ca 0.00 -0.63 0.18 0.00 -0.37 0.00 0.00 57.07 56.26 1qa2 s TYR 555 Cb 0.00 -0.75 0.91 0.00 -0.40 0.00 0.00 41.96 41.73 1qa2 s TYR 555 CO 0.00 0.26 1.61 -0.25 -1.57 0.00 0.00 175.55 175.60 1qa2 n ASP 556 N -0.26 0.63 -3.71 2.29 10.43 -1.26 -4.87 116.55 119.80 1qa2 n ASP 556 Ca -0.09 -1.56 -0.10 0.00 2.57 0.00 0.00 54.79 55.61 1qa2 n ASP 556 Cb 0.60 -0.04 -0.05 0.00 1.84 0.00 0.00 41.12 43.47 1qa2 n ASP 556 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1qa2 s SER 557 N -1.54 -0.15 0.15 -2.24 1.04 -1.26 -1.37 113.70 108.32 1qa2 s SER 557 Ca 0.28 -0.44 0.11 0.00 0.48 0.00 0.00 55.95 56.38 1qa2 s SER 557 Cb 0.14 0.46 -0.04 0.00 0.10 0.00 0.00 66.02 66.68 1qa2 s SER 557 CO 0.22 -0.86 -0.23 0.00 0.98 0.00 0.00 173.24 173.35 1qa2 s ALA 558 N -3.84 2.51 -0.01 5.32 0.00 -0.21 -4.84 121.76 120.70 1qa2 s ALA 558 Ca 0.05 -1.49 -0.16 0.00 0.00 0.00 0.00 51.96 50.36 1qa2 s ALA 558 Cb 0.02 -0.44 0.03 0.00 0.00 0.00 0.00 23.12 22.73 1qa2 s ALA 558 CO -0.10 0.52 0.34 0.00 0.00 0.00 0.00 175.76 176.52 1qa2 s ALA 559 N -1.27 -0.86 -0.27 0.00 0.00 -1.26 -1.49 121.76 116.61 1qa2 s ALA 559 Ca 0.17 0.38 -0.00 0.00 0.00 0.00 0.00 51.96 52.51 1qa2 s ALA 559 Cb -0.10 0.09 0.08 0.00 0.00 0.00 0.00 23.12 23.20 1qa2 s ALA 559 CO 0.08 -0.28 0.04 0.42 0.00 0.00 0.00 175.76 176.02 1qa2 s ILE 560 N -1.42 1.17 0.15 0.00 1.01 -0.31 -5.01 121.20 116.79 1qa2 s ILE 560 Ca -0.13 -1.30 0.00 0.00 0.00 0.00 0.00 60.65 59.22 1qa2 s ILE 560 Cb -0.04 -1.71 -0.04 0.00 0.01 0.00 0.00 42.46 40.68 1qa2 s ILE 560 CO 0.04 -0.41 0.32 -0.54 0.00 0.00 0.00 174.94 174.35 1qa2 s LYS 561 N 1.51 3.49 -0.05 2.79 1.02 -1.26 -1.08 119.74 126.15 1qa2 s LYS 561 Ca 0.03 -0.42 0.05 0.00 0.02 0.00 0.00 55.97 55.65 1qa2 s LYS 561 Cb -0.18 -2.92 -0.01 0.00 -0.52 0.00 0.00 37.83 34.21 1qa2 s LYS 561 CO -0.14 0.49 -0.21 -0.51 -0.92 0.00 0.00 175.35 174.05 1qa2 s LEU 562 N -3.08 1.99 -0.07 3.17 1.02 -0.33 -4.99 118.68 116.39 1qa2 s LEU 562 Ca 0.37 -0.44 -0.02 0.00 0.02 0.00 0.00 54.13 54.06 1qa2 s LEU 562 Cb -0.11 -1.18 0.03 0.00 0.02 0.00 0.00 46.19 44.94 1qa2 s LEU 562 CO 0.28 0.19 0.01 -0.60 0.02 0.00 0.00 176.35 176.26 1qa2 s ARG 563 N -0.01 0.50 -0.49 1.70 3.52 -1.26 -0.61 118.95 122.30 1qa2 s ARG 563 Ca -0.05 0.13 -0.17 0.00 -0.13 0.00 0.00 55.73 55.50 1qa2 s ARG 563 Cb -0.13 -0.95 0.06 0.00 -1.56 0.00 0.00 34.95 32.37 1qa2 s ARG 563 CO 0.03 -0.32 0.51 0.42 -0.81 0.00 0.00 175.30 175.13 1qa2 s ILE 564 N 2.00 5.05 0.48 4.11 1.01 -1.26 -4.94 121.20 127.65 1qa2 s ILE 564 Ca 0.05 -0.74 0.26 0.00 0.00 0.00 0.00 60.65 60.22 1qa2 s ILE 564 Cb -0.12 -4.20 0.30 0.00 0.01 0.00 0.00 42.46 38.44 1qa2 s ILE 564 CO -0.05 -0.68 2.13 0.45 0.00 0.00 0.00 174.94 176.79 1qa2 h HIS 565 N 8.87 0.00 -0.24 3.97 3.86 -1.95 -0.19 115.15 129.47 1qa2 h HIS 565 Ca -0.28 0.00 -0.08 0.00 -1.16 0.00 0.00 60.37 58.85 1qa2 h HIS 565 Cb 1.10 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 1qa2 h HIS 565 CO 0.69 0.08 -0.19 -0.22 0.86 0.00 0.00 177.93 179.16 1qa2 h LYS 566 N 0.00 0.42 0.01 2.45 3.64 -2.02 -3.17 116.57 117.91 1qa2 h LYS 566 Ca -0.00 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.24 1qa2 h LYS 566 Cb 0.20 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1qa2 h LYS 566 CO 0.01 0.60 -0.01 1.25 -2.27 0.00 0.00 179.45 179.03 1qa2 h LEU 567 N 0.38 -0.01 -7.00 5.20 5.85 -1.52 -3.48 115.31 114.74 1qa2 h LEU 567 Ca 0.07 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.09 1qa2 h LEU 567 Cb 0.55 0.00 -0.22 0.00 0.37 0.00 0.00 40.66 41.37 1qa2 h LEU 567 CO 0.04 0.81 0.13 -0.55 -0.34 0.00 0.00 178.44 178.52 1qa2 s SER 568 N -5.98 -0.79 0.07 1.25 0.15 -0.37 -5.03 113.70 103.01 1qa2 s SER 568 Ca -0.14 1.41 0.24 0.00 0.70 0.00 0.00 55.95 58.16 1qa2 s SER 568 Cb -0.02 1.39 0.37 0.00 -1.71 0.00 0.00 66.02 66.06 1qa2 s SER 568 CO 0.51 -0.24 1.32 0.29 1.20 0.00 0.00 173.24 176.32 1qa2 n LYS 569 N 3.23 0.20 -0.01 5.44 5.02 -1.25 -3.89 118.16 126.90 1qa2 n LYS 569 Ca -0.16 0.05 0.07 0.00 -2.02 0.00 0.00 58.31 56.25 1qa2 n LYS 569 Cb 0.56 -1.62 -0.10 0.00 -0.02 0.00 0.00 35.03 33.85 1qa2 n LYS 569 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1qa2 n THR 570 N -1.91 0.00 -5.21 -0.18 -2.24 -1.26 -3.59 114.28 99.89 1qa2 n THR 570 Ca 0.04 -0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.20 1qa2 n THR 570 Cb 0.41 0.30 -0.16 0.00 -2.10 0.00 0.00 70.33 68.78 1qa2 n THR 570 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1qa2 s LEU 571 N -3.78 2.16 0.31 3.22 1.43 -1.26 -5.01 118.68 115.75 1qa2 s LEU 571 Ca -0.04 -0.47 -0.28 0.00 -1.03 0.00 0.00 54.13 52.32 1qa2 s LEU 571 Cb 0.09 -1.40 -0.09 0.00 0.03 0.00 0.00 46.19 44.82 1qa2 s LEU 571 CO 0.58 0.26 1.12 -1.81 0.23 0.00 0.00 176.35 176.74 1qa2 s ASP 572 N -0.27 7.09 0.17 2.29 -0.00 -1.26 -4.68 116.67 120.01 1qa2 s ASP 572 Ca -0.00 2.30 0.23 0.00 -0.00 0.00 0.00 52.55 55.08 1qa2 s ASP 572 Cb -0.13 -2.62 0.16 0.00 -0.00 0.00 0.00 42.92 40.33 1qa2 s ASP 572 CO 0.03 -0.27 1.19 0.77 -0.00 0.00 0.00 175.17 176.88 1qa2 h SER 573 N 3.51 0.00 -5.38 0.27 4.64 -1.23 -3.43 113.55 111.93 1qa2 h SER 573 Ca -0.47 -0.11 0.24 0.00 -0.47 0.00 0.00 61.79 60.97 1qa2 h SER 573 Cb 1.22 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.20 1qa2 h SER 573 CO 0.66 0.05 0.64 -0.83 -0.87 0.00 0.00 176.83 176.49 1qa2 s GLY 574 N -4.02 -0.33 0.12 -0.77 0.00 -1.15 -1.51 107.32 99.66 1qa2 s GLY 574 Ca 0.03 0.51 -0.24 0.00 0.00 0.00 0.00 44.72 45.02 1qa2 s GLY 574 CO 0.76 0.11 0.67 0.00 0.00 0.00 0.00 173.10 174.63 1qa2 s ALA 575 N -2.87 -1.65 -0.21 3.20 0.00 -1.16 -1.19 121.76 117.88 1qa2 s ALA 575 Ca 0.12 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.72 1qa2 s ALA 575 Cb 0.01 0.77 0.04 0.00 0.00 0.00 0.00 23.12 23.94 1qa2 s ALA 575 CO -0.01 -0.75 -0.15 -1.17 0.00 0.00 0.00 175.76 173.68 1qa2 s LEU 576 N -2.67 2.56 0.30 0.00 2.96 -0.24 -0.98 118.68 120.62 1qa2 s LEU 576 Ca 0.02 -0.93 0.10 0.00 -0.22 0.00 0.00 54.13 53.10 1qa2 s LEU 576 Cb -0.01 -1.44 -0.05 0.00 0.50 0.00 0.00 46.19 45.19 1qa2 s LEU 576 CO -0.12 -0.09 -0.08 -0.31 -1.32 0.00 0.00 176.35 174.43 1qa2 s TYR 577 N 1.26 2.48 -0.07 5.38 2.02 0.07 -1.16 117.35 127.33 1qa2 s TYR 577 Ca -0.01 -0.34 0.00 0.00 -0.37 0.00 0.00 57.07 56.35 1qa2 s TYR 577 Cb -0.16 -1.20 0.02 0.00 -0.40 0.00 0.00 41.96 40.22 1qa2 s TYR 577 CO -0.09 0.62 -0.04 0.45 -1.57 0.00 0.00 175.55 174.91 1qa2 s SER 578 N -3.61 1.52 0.00 2.29 0.15 -0.55 -1.41 113.70 112.08 1qa2 s SER 578 Ca 0.32 -0.17 0.07 0.00 0.70 0.00 0.00 55.95 56.87 1qa2 s SER 578 Cb -0.04 -0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 63.68 1qa2 s SER 578 CO 0.18 -0.10 -0.21 -1.00 1.20 0.00 0.00 173.24 173.30 1qa2 s HIS 579 N 1.41 1.90 0.30 3.44 3.76 0.18 -1.04 115.29 125.24 1qa2 s HIS 579 Ca -0.03 -0.37 -0.29 0.00 -0.15 0.00 0.00 55.06 54.23 1qa2 s HIS 579 Cb -0.13 -1.20 -0.10 0.00 1.11 0.00 0.00 32.58 32.25 1qa2 s HIS 579 CO -0.03 0.00 1.43 0.42 -0.85 0.00 0.00 174.74 175.72 1qa2 s ILE 580 N -0.58 2.49 -0.27 0.60 1.01 -0.47 -0.66 121.20 123.31 1qa2 s ILE 580 Ca 0.08 0.44 -0.09 0.00 0.00 0.00 0.00 60.65 61.08 1qa2 s ILE 580 Cb -0.08 -3.28 -0.03 0.00 0.01 0.00 0.00 42.46 39.07 1qa2 s ILE 580 CO -0.00 0.09 0.12 0.20 0.00 0.00 0.00 174.94 175.35 1qa2 s ASN 581 N 0.07 5.51 0.52 3.58 0.02 -0.37 -4.81 114.94 119.46 1qa2 s ASN 581 Ca 0.56 -0.17 0.00 0.00 -1.02 0.00 0.00 52.86 52.23 1qa2 s ASN 581 Cb -0.43 -2.01 0.00 0.00 0.02 0.00 0.00 41.25 38.83 1qa2 s ASN 581 CO 0.50 -0.06 0.00 0.61 0.02 0.00 0.00 177.10 178.17 1qa2 n GLY 582 N 4.98 1.49 0.00 0.66 0.00 -1.26 -4.64 105.19 106.42 1qa2 n GLY 582 Ca -0.15 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.41 1qa2 n GLY 582 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1qa2 n GLY 583 N 0.00 3.01 3.72 -0.02 0.00 -1.26 -5.09 105.19 105.55 1qa2 n GLY 583 Ca 0.00 -1.32 -0.39 0.00 0.00 0.00 0.00 46.02 44.31 1qa2 n GLY 583 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qa2 n ALA 584 N -3.00 1.38 -1.13 4.61 0.00 -1.26 -2.44 120.51 118.67 1qa2 n ALA 584 Ca 0.00 0.16 -0.05 0.00 0.00 0.00 0.00 53.44 53.56 1qa2 n ALA 584 Cb 0.00 -2.31 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 1qa2 n ALA 584 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qa2 n GLY 585 N 0.82 0.63 0.17 0.00 0.00 -1.26 -4.87 105.19 100.67 1qa2 n GLY 585 Ca 0.09 -0.17 0.13 0.00 0.00 0.00 0.00 46.02 46.07 1qa2 n GLY 585 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1qa2 h SER 586 N 0.00 0.00 -0.69 1.61 4.64 -1.78 -3.47 113.55 113.86 1qa2 h SER 586 Ca -0.09 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 60.93 1qa2 h SER 586 Cb 0.66 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.63 1qa2 h SER 586 CO 0.14 0.00 -0.27 0.61 -0.87 0.00 0.00 176.83 176.44 1qa2 n GLY 587 N 1.01 1.50 2.89 -0.77 0.00 -1.26 -4.99 105.19 103.57 1qa2 n GLY 587 Ca 0.04 -0.31 -0.12 0.00 0.00 0.00 0.00 46.02 45.63 1qa2 n GLY 587 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1qa2 s SER 588 N -2.82 0.09 0.15 1.61 0.15 -1.26 -5.11 113.70 106.50 1qa2 s SER 588 Ca 0.00 -0.06 -0.15 0.00 0.70 0.00 0.00 55.95 56.44 1qa2 s SER 588 Cb 0.00 0.00 0.02 0.00 -1.71 0.00 0.00 66.02 64.34 1qa2 s SER 588 CO 0.00 -0.02 0.40 0.00 1.20 0.00 0.00 173.24 174.82 1qa2 s ALA 589 N -0.16 -0.73 0.02 5.45 0.00 -1.26 -1.24 121.76 123.85 1qa2 s ALA 589 Ca -0.01 -0.27 0.08 0.00 0.00 0.00 0.00 51.96 51.75 1qa2 s ALA 589 Cb -0.01 0.74 -0.02 0.00 0.00 0.00 0.00 23.12 23.83 1qa2 s ALA 589 CO -0.00 -0.68 -0.23 1.52 0.00 0.00 0.00 175.76 176.37 1qa2 s TYR 590 N -3.85 2.01 -0.16 0.00 1.13 0.16 -4.79 117.35 111.85 1qa2 s TYR 590 Ca 0.07 -0.39 -0.08 0.00 -1.41 0.00 0.00 57.07 55.27 1qa2 s TYR 590 Cb 0.02 -1.23 -0.04 0.00 -1.10 0.00 0.00 41.96 39.60 1qa2 s TYR 590 CO -0.08 0.06 0.11 0.99 -2.51 0.00 0.00 175.55 174.12 1qa2 s THR 591 N -0.71 5.23 -0.01 -3.49 2.01 -0.44 -0.65 115.64 117.58 1qa2 s THR 591 Ca 0.09 0.11 0.02 0.00 0.31 0.00 0.00 61.69 62.22 1qa2 s THR 591 Cb -0.09 -3.32 0.00 0.00 0.01 0.00 0.00 72.50 69.10 1qa2 s THR 591 CO 0.01 0.53 -0.06 0.00 -0.69 0.00 0.00 174.62 174.41 1qa2 s GLN 592 N -0.29 0.60 -0.23 4.92 -2.07 -0.50 -0.50 119.66 121.60 1qa2 s GLN 592 Ca 0.10 -0.21 -0.05 0.00 -1.82 0.00 0.00 55.36 53.38 1qa2 s GLN 592 Cb -0.12 -0.59 -0.01 0.00 -1.09 0.00 0.00 33.01 31.20 1qa2 s GLN 592 CO 0.01 0.10 -0.00 -1.17 -1.32 0.00 0.00 175.29 172.90 1qa2 s LEU 593 N 0.07 3.10 0.38 2.60 2.96 -0.20 -0.75 118.68 126.85 1qa2 s LEU 593 Ca -0.01 -0.36 0.08 0.00 -0.22 0.00 0.00 54.13 53.63 1qa2 s LEU 593 Cb -0.05 -1.80 -0.07 0.00 0.50 0.00 0.00 46.19 44.77 1qa2 s LEU 593 CO -0.00 -0.03 0.00 0.42 -1.32 0.00 0.00 176.35 175.42 1qa2 s THR 594 N 1.52 2.18 -0.04 3.68 -4.23 -0.15 -1.11 115.64 117.49 1qa2 s THR 594 Ca 0.06 -2.02 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 1qa2 s THR 594 Cb -0.15 -2.88 0.02 0.00 1.34 0.00 0.00 72.50 70.83 1qa2 s THR 594 CO -0.01 -0.08 0.23 0.00 -0.54 0.00 0.00 174.62 174.22 1qa2 s ALA 595 N -2.65 -0.58 0.24 3.99 0.00 -0.10 -2.97 121.76 119.70 1qa2 s ALA 595 Ca 0.35 0.31 -0.24 0.00 0.00 0.00 0.00 51.96 52.38 1qa2 s ALA 595 Cb 0.06 -0.09 -0.09 0.00 0.00 0.00 0.00 23.12 23.00 1qa2 s ALA 595 CO 0.18 -0.19 0.83 -1.50 0.00 0.00 0.00 175.76 175.08 1qa2 s ILE 596 N -0.82 4.35 -0.11 0.00 2.07 -0.57 -2.03 121.20 124.08 1qa2 s ILE 596 Ca -0.09 1.65 -0.10 0.00 -1.41 0.00 0.00 60.65 60.70 1qa2 s ILE 596 Cb -0.05 -4.03 0.03 0.00 0.13 0.00 0.00 42.46 38.55 1qa2 s ILE 596 CO 0.02 0.30 0.30 -0.55 -1.91 0.00 0.00 174.94 173.10 1qa2 s SER 597 N -1.46 -0.32 -1.47 4.50 0.15 -1.14 -4.88 113.70 109.08 1qa2 s SER 597 Ca 0.43 0.61 -0.08 0.00 0.70 0.00 0.00 55.95 57.62 1qa2 s SER 597 Cb -0.20 0.59 0.03 0.00 -1.71 0.00 0.00 66.02 64.73 1qa2 s SER 597 CO 0.24 -0.12 0.79 0.61 1.20 0.00 0.00 173.24 175.97 1qa2 n GLY 598 N 3.20 -0.52 2.56 9.45 0.00 -1.26 -1.38 105.19 117.23 1qa2 n GLY 598 Ca -0.15 0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 1qa2 n GLY 598 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1qa2 n SER 599 N -2.66 -5.47 -4.16 1.61 7.64 -1.26 -4.95 113.62 104.37 1qa2 n SER 599 Ca -0.05 0.45 -0.36 0.00 1.01 0.00 0.00 58.87 59.92 1qa2 n SER 599 Cb 0.58 -4.80 -0.13 0.00 -1.01 0.00 0.00 64.21 58.86 1qa2 n SER 599 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1qa2 s THR 600 N -2.78 3.24 0.45 0.44 2.01 -0.48 -5.08 115.64 113.44 1qa2 s THR 600 Ca 0.00 -1.67 -0.25 0.00 0.31 0.00 0.00 61.69 60.08 1qa2 s THR 600 Cb 0.00 -3.03 -0.09 0.00 0.01 0.00 0.00 72.50 69.39 1qa2 s THR 600 CO 0.00 -0.40 1.28 -0.81 -0.69 0.00 0.00 174.62 174.00 1qa2 n PRO 601 N 4.63 1.88 -1.69 4.92 -0.04 -1.26 -2.41 135.00 141.03 1qa2 n PRO 601 Ca -0.08 0.67 -0.19 0.00 -0.04 0.00 0.00 63.50 63.87 1qa2 n PRO 601 Cb 0.43 -2.41 -0.07 0.00 -0.04 0.00 0.00 33.50 31.41 1qa2 n PRO 601 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1qa2 n ASP 602 N 0.00 -5.30 -0.21 3.54 10.43 -1.23 -4.88 116.55 118.90 1qa2 n ASP 602 Ca 0.07 0.38 0.03 0.00 2.57 0.00 0.00 54.79 57.85 1qa2 n ASP 602 Cb 0.41 -4.44 0.29 0.00 1.84 0.00 0.00 41.12 39.21 1qa2 n ASP 602 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1qa2 h ALA 603 N 0.15 1.56 -3.93 2.24 0.00 -1.05 -3.42 119.26 114.82 1qa2 h ALA 603 Ca -0.40 -0.04 -0.67 0.00 0.00 0.00 0.00 54.91 53.81 1qa2 h ALA 603 Cb 1.25 -0.26 -0.32 0.00 0.00 0.00 0.00 17.79 18.46 1qa2 h ALA 603 CO 0.56 0.36 -0.88 0.08 0.00 0.00 0.00 179.25 179.38 1qa2 s VAL 604 N -5.79 1.95 0.04 0.00 1.01 -0.86 -4.99 120.40 111.76 1qa2 s VAL 604 Ca -0.11 -1.00 -0.22 0.00 0.00 0.00 0.00 61.98 60.66 1qa2 s VAL 604 Cb 0.19 -1.66 0.05 0.00 0.00 0.00 0.00 36.38 34.96 1qa2 s VAL 604 CO 0.78 0.54 0.50 -0.94 0.00 0.00 0.00 175.10 175.98 1qa2 s SER 605 N -0.08 -0.41 -0.13 3.32 1.04 -1.26 -0.92 113.70 115.25 1qa2 s SER 605 Ca -0.05 0.16 -0.03 0.00 0.48 0.00 0.00 55.95 56.51 1qa2 s SER 605 Cb -0.14 0.47 -0.03 0.00 0.10 0.00 0.00 66.02 66.43 1qa2 s SER 605 CO 0.04 -0.69 -0.02 -0.22 0.98 0.00 0.00 173.24 173.32 1qa2 s LEU 606 N -1.92 3.38 0.13 2.42 0.20 -0.26 -4.21 118.68 118.41 1qa2 s LEU 606 Ca -0.06 -0.04 0.11 0.00 0.69 0.00 0.00 54.13 54.83 1qa2 s LEU 606 Cb -0.01 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.91 1qa2 s LEU 606 CO -0.01 0.23 -0.26 -0.54 -0.29 0.00 0.00 176.35 175.48 1qa2 s LYS 607 N -0.02 1.44 -0.15 1.98 3.01 -0.68 -1.04 119.74 124.28 1qa2 s LYS 607 Ca 0.02 -1.33 -0.00 0.00 -1.01 0.00 0.00 55.97 53.65 1qa2 s LYS 607 Cb -0.13 -1.92 0.03 0.00 -1.01 0.00 0.00 37.83 34.80 1qa2 s LYS 607 CO 0.02 0.45 -0.08 0.08 0.51 0.00 0.00 175.35 176.34 1qa2 s VAL 608 N -1.07 1.19 -0.27 3.17 1.01 0.35 -0.45 120.40 124.33 1qa2 s VAL 608 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.57 1qa2 s VAL 608 Cb -0.10 -1.27 0.00 0.00 0.00 0.00 0.00 36.38 35.01 1qa2 s VAL 608 CO 0.06 0.25 0.00 -3.20 0.00 0.00 0.00 175.10 172.21 1qa2 n ASN 609 N 4.87 -2.37 -4.71 3.32 4.05 -0.68 -1.33 115.26 118.40 1qa2 n ASN 609 Ca -0.13 0.03 -0.43 0.00 0.45 0.00 0.00 54.58 54.50 1qa2 n ASN 609 Cb 0.49 -1.11 -0.03 0.00 1.23 0.00 0.00 39.78 40.36 1qa2 n ASN 609 CO 0.00 0.00 0.00 1.57 -3.05 0.00 0.00 177.26 175.78 1qa2 n HIS 610 N -3.55 2.65 -2.39 1.20 -0.00 -1.26 -1.01 115.22 110.86 1qa2 n HIS 610 Ca -0.03 0.18 -0.17 0.00 0.46 0.00 0.00 57.72 58.16 1qa2 n HIS 610 Cb 0.35 -2.61 -0.01 0.00 -0.12 0.00 0.00 29.99 27.60 1qa2 n HIS 610 CO 0.00 0.00 0.00 1.63 0.46 0.00 0.00 176.34 178.43 1qa2 n LYS 611 N 3.10 -1.92 -2.29 1.57 5.02 -1.26 -1.87 118.16 120.51 1qa2 n LYS 611 Ca 0.13 0.82 -0.18 0.00 -2.02 0.00 0.00 58.31 57.07 1qa2 n LYS 611 Cb 0.34 -5.45 -0.02 0.00 -0.02 0.00 0.00 35.03 29.88 1qa2 n LYS 611 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1qa2 n ASP 612 N -1.88 -5.09 0.08 4.39 4.64 -0.18 -4.87 116.55 113.65 1qa2 n ASP 612 Ca -0.20 0.11 0.11 0.00 -1.38 0.00 0.00 54.79 53.44 1qa2 n ASP 612 Cb 0.65 -4.30 0.45 0.00 -1.04 0.00 0.00 41.12 36.88 1qa2 n ASP 612 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1qa2 n ARG 614 N -2.02 -1.39 -4.37 0.00 1.74 -1.26 -4.99 116.66 104.37 1qa2 n ARG 614 Ca 0.04 1.01 -0.18 0.00 -0.77 0.00 0.00 57.85 57.94 1qa2 n ARG 614 Cb 0.27 -5.43 -0.10 0.00 -1.02 0.00 0.00 32.46 26.18 1qa2 n ARG 614 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 1qa2 s GLY 615 N -2.45 1.74 -0.18 -0.13 0.00 -1.26 -4.86 107.32 100.18 1qa2 s GLY 615 Ca 0.00 -1.87 -0.08 0.00 0.00 0.00 0.00 44.72 42.76 1qa2 s GLY 615 CO 0.00 -1.70 0.10 0.00 0.00 0.00 0.00 173.10 171.50 1qa2 s ALA 616 N -3.42 3.60 -0.26 3.20 0.00 -1.26 -1.69 121.76 121.93 1qa2 s ALA 616 Ca 0.32 -0.71 -0.14 0.00 0.00 0.00 0.00 51.96 51.44 1qa2 s ALA 616 Cb 0.07 -2.03 -0.04 0.00 0.00 0.00 0.00 23.12 21.11 1qa2 s ALA 616 CO 0.12 0.24 0.32 -2.00 0.00 0.00 0.00 175.76 174.44 1qa2 s GLU 617 N 0.15 4.04 -0.15 0.00 2.12 0.40 -4.96 118.70 120.29 1qa2 s GLU 617 Ca 0.07 -0.03 -0.01 0.00 0.36 0.00 0.00 54.97 55.37 1qa2 s GLU 617 Cb -0.12 -3.62 -0.01 0.00 0.26 0.00 0.00 34.13 30.64 1qa2 s GLU 617 CO -0.00 -0.18 -0.12 0.42 -0.54 0.00 0.00 175.26 174.83 1qa2 s ILE 618 N 1.76 2.99 0.22 -3.70 1.01 -1.26 -1.69 121.20 120.54 1qa2 s ILE 618 Ca 0.13 -0.66 -0.30 0.00 0.00 0.00 0.00 60.65 59.82 1qa2 s ILE 618 Cb -0.15 -2.28 -0.09 0.00 0.01 0.00 0.00 42.46 39.95 1qa2 s ILE 618 CO 0.09 0.51 0.96 -2.16 0.00 0.00 0.00 174.94 174.34 1qa2 s PRO 619 N 0.66 4.81 0.24 2.79 0.04 -1.26 -5.07 135.00 137.21 1qa2 s PRO 619 Ca -0.06 1.52 0.11 0.00 0.04 0.00 0.00 61.00 62.60 1qa2 s PRO 619 Cb -0.15 -3.28 -0.05 0.00 0.04 0.00 0.00 34.50 31.05 1qa2 s PRO 619 CO 0.02 0.44 -0.19 -0.59 0.04 0.00 0.00 177.00 176.72 1qa2 s PHE 620 N -0.99 2.13 0.12 0.56 -0.12 -1.26 -4.88 117.98 113.54 1qa2 s PHE 620 Ca 0.42 -0.39 -0.31 0.00 -0.05 0.00 0.00 56.93 56.60 1qa2 s PHE 620 Cb -0.26 -0.97 -0.10 0.00 -0.63 0.00 0.00 43.02 41.06 1qa2 s PHE 620 CO 0.33 0.58 1.71 0.08 -0.05 0.00 0.00 175.22 177.87 1qa2 s VAL 621 N -2.43 2.68 -1.35 -2.49 1.01 -0.63 -4.86 120.40 112.32 1qa2 s VAL 621 Ca 0.26 0.27 0.08 0.00 0.00 0.00 0.00 61.98 62.58 1qa2 s VAL 621 Cb -0.05 -3.17 0.12 0.00 0.00 0.00 0.00 36.38 33.28 1qa2 s VAL 621 CO 0.12 0.00 1.14 -2.65 0.00 0.00 0.00 175.10 173.71 1qa2 n PRO 622 N 5.20 0.09 -2.31 2.72 -0.02 -1.26 -0.63 135.00 138.78 1qa2 n PRO 622 Ca 0.16 0.24 -0.05 0.00 -2.02 0.00 0.00 63.50 61.84 1qa2 n PRO 622 Cb 0.39 -1.50 -0.01 0.00 -0.02 0.00 0.00 33.50 32.36 1qa2 n PRO 622 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 1qa2 n ASP 623 N -1.32 -0.51 -4.67 2.55 4.64 -1.26 -4.64 116.55 111.33 1qa2 n ASP 623 Ca 0.03 -1.63 -0.43 0.00 -1.38 0.00 0.00 54.79 51.38 1qa2 n ASP 623 Cb 0.07 0.93 -0.03 0.00 -1.04 0.00 0.00 41.12 41.05 1qa2 n ASP 623 CO 0.00 0.00 0.00 -0.38 -0.82 0.00 0.00 177.20 176.00 1qa2 n ILE 624 N -0.19 0.62 -2.61 5.18 2.08 -1.23 -3.72 119.36 119.49 1qa2 n ILE 624 Ca -0.00 -0.11 -0.41 0.00 0.56 0.00 0.00 62.75 62.79 1qa2 n ILE 624 Cb 0.20 -2.17 -0.04 0.00 -0.75 0.00 0.00 39.64 36.88 1qa2 n ILE 624 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1qa2 s ALA 625 N 3.88 3.33 0.44 -1.39 0.00 -1.26 -5.04 121.76 121.72 1qa2 s ALA 625 Ca 0.88 0.72 -0.14 0.00 0.00 0.00 0.00 51.96 53.41 1qa2 s ALA 625 Cb -0.50 -3.30 -0.08 0.00 0.00 0.00 0.00 23.12 19.24 1qa2 s ALA 625 CO 0.43 -0.08 0.87 0.45 0.00 0.00 0.00 175.76 177.43 1qa2 s SER 626 N -0.33 6.63 0.43 0.00 0.15 -1.26 -4.96 113.70 114.36 1qa2 s SER 626 Ca 0.47 1.38 0.18 0.00 0.70 0.00 0.00 55.95 58.68 1qa2 s SER 626 Cb -0.27 -2.43 1.11 0.00 -1.71 0.00 0.00 66.02 62.72 1qa2 s SER 626 CO 0.33 -0.45 1.86 0.44 1.20 0.00 0.00 173.24 176.63 1qa2 h ASP 627 N 1.31 0.38 0.47 5.45 3.45 -1.98 -1.44 116.42 124.06 1qa2 h ASP 627 Ca -0.47 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.03 1qa2 h ASP 627 Cb 1.18 -0.03 0.00 0.00 -0.56 0.00 0.00 39.33 39.92 1qa2 h ASP 627 CO 0.63 0.15 0.00 -0.90 -1.57 0.00 0.00 179.24 177.55 1qa2 n ASP 628 N -4.50 0.00 0.13 6.45 5.75 -1.26 -3.57 116.55 119.55 1qa2 n ASP 628 Ca 0.19 -0.20 -0.02 0.00 -0.01 0.00 0.00 54.79 54.75 1qa2 n ASP 628 Cb 0.71 -0.25 0.19 0.00 -1.03 0.00 0.00 41.12 40.74 1qa2 n ASP 628 CO 0.00 0.00 0.00 -0.26 -0.11 0.00 0.00 177.20 176.83 1qa2 h PHE 629 N 0.00 0.11 -3.45 2.11 0.05 -1.64 -3.43 116.94 110.69 1qa2 h PHE 629 Ca 0.00 -0.04 -0.54 0.00 3.82 0.00 0.00 57.97 61.21 1qa2 h PHE 629 Cb 0.23 -0.02 -0.04 0.00 2.00 0.00 0.00 35.95 38.13 1qa2 h PHE 629 CO 0.00 0.62 0.14 -1.50 -0.18 0.00 0.00 178.31 177.40 1qa2 s ILE 630 N -3.80 4.55 -0.19 -0.55 2.07 -1.23 -5.00 121.20 117.04 1qa2 s ILE 630 Ca -0.03 1.61 -0.17 0.00 -1.41 0.00 0.00 60.65 60.66 1qa2 s ILE 630 Cb 0.13 -4.10 -0.06 0.00 0.13 0.00 0.00 42.46 38.55 1qa2 s ILE 630 CO 0.77 0.47 -0.33 1.17 -1.91 0.00 0.00 174.94 175.11 1qa2 n LYS 631 N 2.07 0.53 -4.05 3.50 4.81 -1.26 -5.05 118.16 118.70 1qa2 n LYS 631 Ca -0.05 0.25 -0.27 0.00 -0.87 0.00 0.00 58.31 57.37 1qa2 n LYS 631 Cb 0.49 -1.46 -0.05 0.00 0.02 0.00 0.00 35.03 34.03 1qa2 n LYS 631 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1qa2 s ASP 632 N -6.06 5.69 0.69 3.14 -0.00 -1.26 -5.11 116.67 113.76 1qa2 s ASP 632 Ca -0.29 -0.05 -0.15 0.00 -0.00 0.00 0.00 52.55 52.07 1qa2 s ASP 632 Cb 0.05 -1.54 0.02 0.00 -0.00 0.00 0.00 42.92 41.44 1qa2 s ASP 632 CO 0.42 0.08 1.13 -0.44 -0.00 0.00 0.00 175.17 176.36 1qa2 s SER 633 N -3.04 4.80 -1.38 0.27 0.01 -1.26 -3.58 113.70 109.52 1qa2 s SER 633 Ca 0.32 2.07 -0.08 0.00 1.31 0.00 0.00 55.95 59.56 1qa2 s SER 633 Cb -0.11 -2.56 0.01 0.00 0.21 0.00 0.00 66.02 63.58 1qa2 s SER 633 CO 0.24 -1.84 1.06 -0.24 0.41 0.00 0.00 173.24 172.87 1qa2 n SER 634 N -2.61 -6.30 -4.13 2.44 2.88 0.23 -4.90 113.62 101.22 1qa2 n SER 634 Ca 0.11 -0.48 -0.11 0.00 -1.33 0.00 0.00 58.87 57.06 1qa2 n SER 634 Cb 0.52 -4.96 -0.10 0.00 -0.75 0.00 0.00 64.21 58.91 1qa2 n SER 634 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qa2 s PHE 636 N -3.03 0.77 -0.23 0.00 -0.12 -1.26 -1.48 117.98 112.63 1qa2 s PHE 636 Ca 0.05 -0.45 0.00 0.00 -0.05 0.00 0.00 56.93 56.49 1qa2 s PHE 636 Cb 0.01 -0.46 0.06 0.00 -0.63 0.00 0.00 43.02 42.01 1qa2 s PHE 636 CO -0.04 -0.05 -0.04 -1.17 -0.05 0.00 0.00 175.22 173.87 1qa2 s LEU 637 N -1.45 2.40 0.41 -1.99 2.96 0.25 -4.96 118.68 116.30 1qa2 s LEU 637 Ca -0.07 -1.13 -0.25 0.00 -0.22 0.00 0.00 54.13 52.46 1qa2 s LEU 637 Cb -0.09 -1.11 -0.08 0.00 0.50 0.00 0.00 46.19 45.41 1qa2 s LEU 637 CO 0.01 -0.24 1.22 -2.16 -1.32 0.00 0.00 176.35 173.85 1qa2 s PRO 638 N 1.45 3.97 0.04 0.98 0.04 -1.26 -1.79 135.00 138.43 1qa2 s PRO 638 Ca -0.05 1.95 -0.07 0.00 0.04 0.00 0.00 61.00 62.87 1qa2 s PRO 638 Cb -0.19 -2.67 -0.01 0.00 0.04 0.00 0.00 34.50 31.68 1qa2 s PRO 638 CO -0.06 -0.42 0.12 1.52 0.04 0.00 0.00 177.00 178.20 1qa2 s TYR 639 N -1.37 0.15 0.02 0.56 -0.85 -0.39 -1.61 117.35 113.86 1qa2 s TYR 639 Ca 0.58 -0.42 -0.21 0.00 -0.52 0.00 0.00 57.07 56.50 1qa2 s TYR 639 Cb -0.33 -0.11 -0.06 0.00 0.38 0.00 0.00 41.96 41.85 1qa2 s TYR 639 CO 0.42 -0.38 0.63 -0.46 -1.52 0.00 0.00 175.55 174.25 1qa2 s TRP 640 N -2.51 3.71 -0.46 -3.49 -0.00 0.19 -0.67 118.94 115.73 1qa2 s TRP 640 Ca -0.06 1.28 0.04 0.00 -0.00 0.00 0.00 56.10 57.36 1qa2 s TRP 640 Cb -0.02 -2.65 0.12 0.00 -0.00 0.00 0.00 33.47 30.93 1qa2 s TRP 640 CO -0.04 0.36 0.19 -2.00 -0.00 0.00 0.00 176.95 175.46 1qa2 s GLU 641 N -0.28 1.80 0.43 5.86 2.12 -0.37 -3.47 118.70 124.80 1qa2 s GLU 641 Ca 0.33 -2.36 0.09 0.00 0.36 0.00 0.00 54.97 53.39 1qa2 s GLU 641 Cb -0.19 -3.27 0.92 0.00 0.26 0.00 0.00 34.13 31.85 1qa2 s GLU 641 CO 0.19 -1.05 2.04 -0.97 -0.54 0.00 0.00 175.26 174.93 1qa2 h ASN 642 N 6.89 0.31 0.55 -1.70 -1.24 -1.92 -2.48 115.58 115.99 1qa2 h ASN 642 Ca -0.07 -0.02 0.00 0.00 0.71 0.00 0.00 56.30 56.92 1qa2 h ASN 642 Cb 0.94 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.91 1qa2 h ASN 642 CO 0.63 0.28 0.00 -0.46 -1.29 0.00 0.00 177.43 176.59 1qa2 n ASN 643 N -4.44 0.62 0.00 1.15 6.94 -1.26 -2.93 115.26 115.33 1qa2 n ASN 643 Ca 0.01 0.68 0.00 0.00 -0.02 0.00 0.00 54.58 55.25 1qa2 n ASN 643 Cb 0.12 -0.80 0.00 0.00 -2.36 0.00 0.00 39.78 36.74 1qa2 n ASN 643 CO 0.00 0.00 0.00 -1.54 -1.03 0.00 0.00 177.26 174.69 1qa2 n SER 644 N -2.21 0.79 -3.77 0.53 3.41 -1.13 -5.00 113.62 106.24 1qa2 n SER 644 Ca 0.01 -1.29 -0.23 0.00 -0.26 0.00 0.00 58.87 57.09 1qa2 n SER 644 Cb 0.18 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 64.16 1qa2 n SER 644 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1qa2 n THR 645 N -0.15 -3.86 -4.27 6.66 -1.04 -0.97 -4.82 114.28 105.83 1qa2 n THR 645 Ca 0.00 -0.40 -0.20 0.00 -2.04 0.00 0.00 64.05 61.40 1qa2 n THR 645 Cb 0.27 -3.49 -0.12 0.00 -1.82 0.00 0.00 70.33 65.18 1qa2 n THR 645 CO 0.00 0.00 0.00 -0.44 -0.64 0.00 0.00 175.07 173.99 1qa2 s SER 646 N -4.16 2.29 -0.18 8.00 0.01 -0.99 -4.32 113.70 114.35 1qa2 s SER 646 Ca 0.13 -0.78 -0.07 0.00 1.31 0.00 0.00 55.95 56.54 1qa2 s SER 646 Cb -0.07 -0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.01 1qa2 s SER 646 CO 0.82 -0.06 0.06 -0.76 0.41 0.00 0.00 173.24 173.72 1qa2 s LEU 647 N -2.33 3.84 0.48 2.44 1.43 -0.02 -1.23 118.68 123.29 1qa2 s LEU 647 Ca 0.09 0.10 0.06 0.00 -1.03 0.00 0.00 54.13 53.35 1qa2 s LEU 647 Cb -0.07 -1.97 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 1qa2 s LEU 647 CO 0.04 0.19 0.26 -0.54 0.23 0.00 0.00 176.35 176.53 1qa2 s LYS 648 N 0.28 2.25 -0.09 1.70 -0.14 0.16 -0.66 119.74 123.25 1qa2 s LYS 648 Ca 0.04 -1.99 -0.03 0.00 -1.36 0.00 0.00 55.97 52.63 1qa2 s LYS 648 Cb -0.12 -1.98 0.05 0.00 -1.68 0.00 0.00 37.83 34.09 1qa2 s LYS 648 CO 0.00 -0.37 0.14 0.00 -0.76 0.00 0.00 175.35 174.36 1qa2 s ALA 649 N -2.71 -0.04 -0.22 5.17 0.00 0.58 -1.26 121.76 123.28 1qa2 s ALA 649 Ca 0.33 0.40 -0.27 0.00 0.00 0.00 0.00 51.96 52.42 1qa2 s ALA 649 Cb 0.01 -0.82 -0.00 0.00 0.00 0.00 0.00 23.12 22.30 1qa2 s ALA 649 CO 0.19 -0.63 0.92 -1.17 0.00 0.00 0.00 175.76 175.07 1qa2 s LEU 650 N 2.26 4.11 -0.10 0.00 2.96 -0.74 -0.83 118.68 126.34 1qa2 s LEU 650 Ca 0.04 1.23 0.02 0.00 -0.22 0.00 0.00 54.13 55.19 1qa2 s LEU 650 Cb -0.13 -3.36 -0.01 0.00 0.50 0.00 0.00 46.19 43.19 1qa2 s LEU 650 CO -0.06 -0.55 -0.16 -0.69 -1.32 0.00 0.00 176.35 173.57 1qa2 s VAL 651 N 2.82 2.84 -0.39 1.68 1.01 0.36 -0.58 120.40 128.13 1qa2 s VAL 651 Ca 0.40 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.53 1qa2 s VAL 651 Cb -0.16 -2.15 0.06 0.00 0.00 0.00 0.00 36.38 34.14 1qa2 s VAL 651 CO 0.08 0.55 0.21 -0.75 0.00 0.00 0.00 175.10 175.19 1qa2 s LYS 652 N 0.07 2.63 1.03 2.72 2.20 -0.55 -1.32 119.74 126.52 1qa2 s LYS 652 Ca -0.06 -1.33 -0.12 0.00 -0.36 0.00 0.00 55.97 54.10 1qa2 s LYS 652 Cb -0.15 -3.69 0.21 0.00 -1.51 0.00 0.00 37.83 32.69 1qa2 s LYS 652 CO 0.05 -0.84 1.08 0.15 -0.36 0.00 0.00 175.35 175.42 1qa2 s LYS 653 N 1.44 0.13 0.56 4.03 1.02 0.69 0.77 119.74 128.37 1qa2 s LYS 653 Ca 0.02 1.05 0.26 0.00 0.02 0.00 0.00 55.97 57.32 1qa2 s LYS 653 Cb -0.21 -1.66 1.48 0.00 -0.52 0.00 0.00 37.83 36.91 1qa2 s LYS 653 CO 0.03 -3.08 2.02 -1.35 -0.92 0.00 0.00 175.35 172.05 1qa2 h PRO 654 N -2.17 0.00 -0.06 -1.68 0.11 -1.90 0.51 132.00 126.81 1qa2 h PRO 654 Ca -0.53 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.58 1qa2 h PRO 654 Cb 1.30 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.41 1qa2 h PRO 654 CO 0.49 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 178.55 1qa2 n ASN 655 N -4.12 0.91 0.00 -2.05 2.04 -1.26 -4.75 115.26 106.04 1qa2 n ASN 655 Ca 0.06 -1.45 0.00 0.00 -0.44 0.00 0.00 54.58 52.76 1qa2 n ASN 655 Cb 0.50 -0.03 0.00 0.00 -2.53 0.00 0.00 39.78 37.72 1qa2 n ASN 655 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1qa2 n GLY 656 N 1.04 1.25 3.81 4.83 0.00 0.16 -5.05 105.19 111.23 1qa2 n GLY 656 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1qa2 n GLY 656 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1qa2 s GLU 657 N -0.55 4.34 0.05 1.61 2.02 -1.26 -4.71 118.70 120.21 1qa2 s GLU 657 Ca 0.00 1.11 -0.08 0.00 0.02 0.00 0.00 54.97 56.02 1qa2 s GLU 657 Cb 0.00 -2.55 -0.05 0.00 0.10 0.00 0.00 34.13 31.63 1qa2 s GLU 657 CO 0.00 0.17 0.34 -0.51 0.02 0.00 0.00 175.26 175.28 1qa2 s LEU 658 N -2.55 4.36 -0.04 1.80 1.43 -1.26 -0.23 118.68 122.20 1qa2 s LEU 658 Ca 0.54 0.68 -0.14 0.00 -1.03 0.00 0.00 54.13 54.18 1qa2 s LEU 658 Cb -0.14 -2.83 0.02 0.00 0.03 0.00 0.00 46.19 43.27 1qa2 s LEU 658 CO 0.19 0.21 0.31 0.54 0.23 0.00 0.00 176.35 177.83 1qa2 s VAL 659 N -1.35 0.04 -0.19 -1.59 0.11 -0.44 -4.97 120.40 112.01 1qa2 s VAL 659 Ca 0.30 -0.37 -0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1qa2 s VAL 659 Cb -0.14 -0.58 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1qa2 s VAL 659 CO 0.17 -0.20 -0.07 -0.13 -3.33 0.00 0.00 175.10 171.54 1qa2 s ARG 660 N -0.98 3.38 0.32 1.54 0.52 -1.26 -0.48 118.95 121.98 1qa2 s ARG 660 Ca -0.10 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.56 1qa2 s ARG 660 Cb -0.05 -2.88 -0.05 0.00 0.52 0.00 0.00 34.95 32.49 1qa2 s ARG 660 CO 0.03 -0.06 -0.03 -0.51 0.02 0.00 0.00 175.30 174.75 1qa2 s LEU 661 N 1.10 2.93 -0.18 2.53 1.43 -0.01 -4.94 118.68 121.54 1qa2 s LEU 661 Ca 0.01 -0.95 -0.18 0.00 -1.03 0.00 0.00 54.13 51.98 1qa2 s LEU 661 Cb -0.15 -1.35 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1qa2 s LEU 661 CO -0.01 -0.15 0.48 -0.89 0.23 0.00 0.00 176.35 176.01 1qa2 s THR 662 N -2.49 5.15 -0.26 5.49 2.01 -1.26 -0.31 115.64 123.97 1qa2 s THR 662 Ca 0.33 0.90 -0.08 0.00 0.31 0.00 0.00 61.69 63.15 1qa2 s THR 662 Cb -0.02 -3.81 -0.15 0.00 0.01 0.00 0.00 72.50 68.53 1qa2 s THR 662 CO 0.18 0.24 -0.24 -0.11 -0.69 0.00 0.00 174.62 174.01 1qa2 n LEU 663 N 4.38 2.35 -3.77 4.42 7.94 0.17 -4.86 117.00 127.62 1qa2 n LEU 663 Ca -0.06 0.17 -0.13 0.00 -1.11 0.00 0.00 56.01 54.88 1qa2 n LEU 663 Cb 0.51 -0.88 -0.11 0.00 0.53 0.00 0.00 43.42 43.47 1qa2 n LEU 663 CO 0.42 0.70 -0.04 0.00 -1.11 0.00 0.00 177.39 177.36 1qa2 s ALA 664 N -2.51 -0.74 0.22 1.96 0.00 -0.69 -4.97 121.76 115.03 1qa2 s ALA 664 Ca -0.36 0.84 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1qa2 s ALA 664 Cb 0.12 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.71 1qa2 s ALA 664 CO 0.55 -0.14 0.13 0.95 0.00 0.00 0.00 175.76 177.25 1qa2 s THR 665 N 0.16 0.12 -2.00 0.00 -4.23 -1.26 -0.84 115.64 107.59 1qa2 s THR 665 Ca -0.00 -2.00 0.19 0.00 -1.18 0.00 0.00 61.69 58.70 1qa2 s THR 665 Cb -0.02 -2.53 0.53 0.00 1.34 0.00 0.00 72.50 71.82 1qa2 s THR 665 CO 0.00 0.00 1.51 0.18 -0.54 0.00 0.00 174.62 175.77