#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2orr n ASN 115 N 0.00 1.43 -4.67 7.83 2.04 -1.26 -5.12 115.26 115.52 2orr n ASN 115 Ca 0.00 -3.12 -0.31 0.00 -0.44 0.00 0.00 54.58 50.72 2orr n ASN 115 Cb 0.00 -0.61 0.17 0.00 -2.53 0.00 0.00 39.78 36.81 2orr n ASN 115 CO 0.00 0.00 0.00 -2.84 -0.44 0.00 0.00 177.26 173.98 2orr s PRO 116 N -2.61 0.95 0.27 -0.53 0.02 -1.26 -5.03 135.00 126.81 2orr s PRO 116 Ca 0.41 1.38 0.03 0.00 0.02 0.00 0.00 61.00 62.84 2orr s PRO 116 Cb 0.34 -1.73 -0.03 0.00 0.02 0.00 0.00 34.50 33.10 2orr s PRO 116 CO -0.09 -2.63 0.43 0.15 -0.33 0.00 0.00 177.00 174.54 2orr s LYS 117 N -4.67 3.46 0.21 5.54 3.01 -1.26 -5.08 119.74 120.95 2orr s LYS 117 Ca 0.66 -0.56 -0.30 0.00 -1.01 0.00 0.00 55.97 54.76 2orr s LYS 117 Cb -0.22 -2.80 -0.08 0.00 -1.01 0.00 0.00 37.83 33.71 2orr s LYS 117 CO 0.58 0.33 1.21 0.45 0.51 0.00 0.00 175.35 178.44 2orr s SER 118 N -3.91 7.05 0.00 2.83 0.15 -1.26 -4.93 113.70 113.63 2orr s SER 118 Ca 0.37 2.30 0.25 0.00 0.70 0.00 0.00 55.95 59.57 2orr s SER 118 Cb -0.09 -2.61 0.84 0.00 -1.71 0.00 0.00 66.02 62.45 2orr s SER 118 CO 0.32 -0.39 1.62 0.18 1.20 0.00 0.00 173.24 176.17 2orr n LEU 119 N 2.26 1.80 -4.66 3.45 4.77 -1.26 -4.87 117.00 118.49 2orr n LEU 119 Ca 0.04 -0.66 -0.34 0.00 -0.03 0.00 0.00 56.01 55.02 2orr n LEU 119 Cb 0.44 -0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.39 2orr n LEU 119 CO 0.56 0.33 -0.33 -0.89 -1.33 0.00 0.00 177.39 175.73 2orr s THR 120 N -1.91 4.11 -0.22 -5.08 2.01 -1.26 -0.92 115.64 112.38 2orr s THR 120 Ca 0.35 -0.43 0.00 0.00 0.31 0.00 0.00 61.69 61.93 2orr s THR 120 Cb 0.20 -2.76 0.06 0.00 0.01 0.00 0.00 72.50 70.01 2orr s THR 120 CO 0.31 0.52 -0.04 -0.60 -0.69 0.00 0.00 174.62 174.12 2orr s ARG 121 N -1.11 1.49 0.41 4.92 6.06 -0.16 -4.91 118.95 125.65 2orr s ARG 121 Ca 0.15 -0.84 -0.05 0.00 -2.50 0.00 0.00 55.73 52.49 2orr s ARG 121 Cb -0.11 -2.44 0.09 0.00 0.06 0.00 0.00 34.95 32.55 2orr s ARG 121 CO 0.05 -0.57 0.56 0.41 -2.50 0.00 0.00 175.30 173.25 2orr n GLY 122 N 4.75 -0.62 3.76 8.12 0.00 -1.26 -4.63 105.19 115.31 2orr n GLY 122 Ca -0.12 -1.79 -0.30 0.00 0.00 0.00 0.00 46.02 43.81 2orr n GLY 122 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2orr s PRO 123 N -4.11 1.63 0.25 1.61 0.04 -1.26 -5.05 135.00 128.12 2orr s PRO 123 Ca 0.33 0.70 0.05 0.00 0.04 0.00 0.00 61.00 62.13 2orr s PRO 123 Cb -0.01 -1.86 -0.05 0.00 0.04 0.00 0.00 34.50 32.61 2orr s PRO 123 CO 0.23 -1.95 -0.03 1.03 0.04 0.00 0.00 177.00 176.32 2orr s ARG 124 N -5.06 1.43 0.00 4.56 0.52 -1.26 -5.05 118.95 114.09 2orr s ARG 124 Ca 0.62 -1.72 0.00 0.00 -0.52 0.00 0.00 55.73 54.11 2orr s ARG 124 Cb -0.16 -0.87 0.00 0.00 0.52 0.00 0.00 34.95 34.44 2orr s ARG 124 CO 0.55 -0.03 0.52 -0.40 0.02 0.00 0.00 175.30 175.97 2orr n ASP 125 N -0.49 1.04 -3.86 0.23 5.75 -1.25 -4.35 116.55 113.61 2orr n ASP 125 Ca -0.05 -1.13 -0.09 0.00 -0.01 0.00 0.00 54.79 53.51 2orr n ASP 125 Cb 0.64 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.65 2orr n ASP 125 CO 0.00 0.00 0.00 -1.59 -0.11 0.00 0.00 177.20 175.50 2orr s LYS 126 N -0.13 0.79 0.82 0.11 -2.85 -0.74 -4.81 119.74 112.94 2orr s LYS 126 Ca 0.00 -0.87 -0.13 0.00 -1.00 0.00 0.00 55.97 53.97 2orr s LYS 126 Cb 0.00 0.32 0.06 0.00 -2.06 0.00 0.00 37.83 36.15 2orr s LYS 126 CO 0.00 -0.24 0.98 -2.30 0.10 0.00 0.00 175.35 173.88 2orr n PRO 127 N 0.16 0.09 -2.08 1.78 -0.02 -1.26 -4.69 135.00 128.98 2orr n PRO 127 Ca -0.16 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 61.00 2orr n PRO 127 Cb 0.61 -2.25 -0.03 0.00 -0.02 0.00 0.00 33.50 31.81 2orr n PRO 127 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 2orr s THR 128 N -2.16 3.03 0.39 3.45 2.01 -1.26 -4.96 115.64 116.14 2orr s THR 128 Ca 0.69 0.75 -0.27 0.00 0.31 0.00 0.00 61.69 63.17 2orr s THR 128 Cb -0.29 -3.48 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 2orr s THR 128 CO 0.55 0.06 1.39 -2.16 -0.69 0.00 0.00 174.62 173.77 2orr s PRO 129 N 1.04 4.04 0.38 4.92 0.04 -1.26 -4.76 135.00 139.40 2orr s PRO 129 Ca 0.66 2.37 0.06 0.00 0.04 0.00 0.00 61.00 64.14 2orr s PRO 129 Cb -0.39 -2.88 0.79 0.00 0.04 0.00 0.00 34.50 32.05 2orr s PRO 129 CO 0.31 -0.51 1.99 -0.07 0.04 0.00 0.00 177.00 178.77 2orr h LEU 130 N 2.87 0.59 -1.18 -3.56 3.38 -1.93 0.13 115.31 115.61 2orr h LEU 130 Ca -0.50 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2orr h LEU 130 Cb 1.24 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2orr h LEU 130 CO 0.63 0.40 0.00 1.05 0.09 0.00 0.00 178.44 180.62 2orr h GLU 131 N 0.69 0.00 0.03 1.13 9.09 -2.01 -0.05 114.58 123.46 2orr h GLU 131 Ca 0.26 0.00 -0.38 0.00 0.05 0.00 0.00 59.36 59.29 2orr h GLU 131 Cb 0.15 0.00 -0.05 0.00 -1.65 0.00 0.00 28.75 27.20 2orr h GLU 131 CO -0.07 0.00 -2.17 -1.91 0.05 0.00 0.00 179.01 174.90 2orr n GLU 132 N -2.60 0.64 -0.16 1.06 2.13 0.24 -4.54 120.64 117.42 2orr n GLU 132 Ca 0.01 0.28 -0.10 0.00 0.66 0.00 0.00 57.16 58.01 2orr n GLU 132 Cb 0.23 -1.60 -0.00 0.00 0.27 0.00 0.00 31.44 30.34 2orr n GLU 132 CO 0.00 0.00 0.00 1.25 -0.41 0.00 0.00 177.13 177.97 2orr h LEU 133 N -0.43 0.79 0.14 4.31 5.85 -0.75 -3.29 115.31 121.93 2orr h LEU 133 Ca -0.54 -0.31 0.02 0.00 0.84 0.00 0.00 57.88 57.89 2orr h LEU 133 Cb 1.75 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.53 2orr h LEU 133 CO -0.16 0.91 -0.34 0.25 -0.34 0.00 0.00 178.44 178.76 2orr h LEU 134 N 0.65 -0.97 -1.41 2.25 6.46 -1.24 0.27 115.31 121.32 2orr h LEU 134 Ca 0.13 0.11 -0.01 0.00 -0.12 0.00 0.00 57.88 57.99 2orr h LEU 134 Cb 0.51 0.36 -0.02 0.00 -0.73 0.00 0.00 40.66 40.77 2orr h LEU 134 CO 0.02 -0.43 0.28 -0.65 -0.62 0.00 0.00 178.44 177.05 2orr h PRO 135 N -0.58 0.68 -0.51 5.25 0.11 -1.80 -1.36 132.00 133.80 2orr h PRO 135 Ca 0.03 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 65.99 2orr h PRO 135 Cb 0.60 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 31.55 2orr h PRO 135 CO -0.19 0.50 -0.00 0.45 -0.21 0.00 0.00 178.00 178.55 2orr h HIS 136 N 0.69 0.98 -0.19 0.65 3.86 -1.46 -1.59 115.15 118.10 2orr h HIS 136 Ca 0.18 -0.17 -0.01 0.00 -1.16 0.00 0.00 60.37 59.21 2orr h HIS 136 Cb 0.01 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.21 2orr h HIS 136 CO 0.00 0.91 0.09 0.00 0.86 0.00 0.00 177.93 179.80 2orr h ALA 137 N 0.94 0.24 -0.98 2.45 0.00 -0.35 -1.88 119.26 119.67 2orr h ALA 137 Ca 0.14 -0.07 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2orr h ALA 137 Cb 0.52 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2orr h ALA 137 CO 0.03 -0.21 0.65 0.82 0.00 0.00 0.00 179.25 180.54 2orr h ILE 138 N 0.18 1.22 -0.34 0.00 2.04 -1.21 -0.45 117.51 118.96 2orr h ILE 138 Ca 0.06 -0.45 -0.12 0.00 1.00 0.00 0.00 64.86 65.36 2orr h ILE 138 Cb 0.10 -0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 2orr h ILE 138 CO -0.01 0.24 -0.29 -0.08 0.00 0.00 0.00 178.15 178.01 2orr h GLU 139 N 1.30 0.71 -0.23 2.37 4.57 -1.02 -1.65 114.58 120.63 2orr h GLU 139 Ca 0.37 -0.31 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2orr h GLU 139 Cb -0.09 -0.02 -0.01 0.00 -0.16 0.00 0.00 28.75 28.48 2orr h GLU 139 CO -0.10 0.91 -0.14 0.35 -1.18 0.00 0.00 179.01 178.85 2orr h PHE 140 N 0.60 0.58 -0.83 0.92 3.57 -0.85 -2.09 116.94 118.84 2orr h PHE 140 Ca 0.07 -0.16 0.10 0.00 3.53 0.00 0.00 57.97 61.52 2orr h PHE 140 Cb 0.80 -0.13 -0.06 0.00 2.79 0.00 0.00 35.95 39.35 2orr h PHE 140 CO 0.04 0.80 0.54 0.82 -2.23 0.00 0.00 178.31 178.28 2orr h ILE 141 N 0.21 0.95 -0.32 1.41 1.08 -0.97 0.05 117.51 119.91 2orr h ILE 141 Ca 0.05 -0.27 -0.03 0.00 -0.39 0.00 0.00 64.86 64.22 2orr h ILE 141 Cb 0.66 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 34.50 2orr h ILE 141 CO 0.04 0.14 0.09 -1.13 -0.69 0.00 0.00 178.15 176.61 2orr h ASN 142 N 0.78 0.48 0.36 1.72 -0.00 -1.03 -1.62 115.58 116.27 2orr h ASN 142 Ca 0.39 -0.21 -0.13 0.00 -0.00 0.00 0.00 56.30 56.34 2orr h ASN 142 Cb 0.45 -0.13 -0.01 0.00 -0.00 0.00 0.00 38.32 38.63 2orr h ASN 142 CO -0.16 0.57 -0.54 0.06 -0.00 0.00 0.00 177.43 177.37 2orr h GLN 143 N 0.36 0.19 0.52 6.67 3.07 -0.57 0.19 115.11 125.55 2orr h GLN 143 Ca 0.10 -0.12 -0.03 0.00 0.09 0.00 0.00 58.65 58.70 2orr h GLN 143 Cb 0.27 0.01 0.01 0.00 0.08 0.00 0.00 27.48 27.84 2orr h GLN 143 CO -0.00 0.68 -0.25 -0.92 0.09 0.00 0.00 178.83 178.43 2orr h TYR 144 N 0.15 -0.64 0.00 0.06 3.20 -0.93 -2.89 116.97 115.92 2orr h TYR 144 Ca 0.00 -0.02 -0.05 0.00 3.14 0.00 0.00 58.73 61.80 2orr h TYR 144 Cb 1.00 0.21 -0.01 0.00 1.54 0.00 0.00 36.73 39.47 2orr h TYR 144 CO 0.02 -0.37 -0.26 1.88 -1.64 0.00 0.00 178.16 177.78 2orr h TYR 145 N -0.75 0.00 0.00 -3.82 0.05 -1.16 -2.05 116.97 109.23 2orr h TYR 145 Ca -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 2orr h TYR 145 Cb 0.56 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.30 2orr h TYR 145 CO -0.03 0.26 -0.05 0.78 -1.05 0.00 0.00 178.16 178.07 2orr h GLY 146 N 2.29 0.00 0.59 3.88 0.00 -0.58 -1.64 103.07 107.60 2orr h GLY 146 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2orr h GLY 146 CO 0.03 0.00 0.00 -1.14 0.00 0.00 0.00 176.54 175.43 2orr n SER 147 N -3.27 0.00 -0.46 0.19 3.41 -0.77 -1.40 113.62 111.32 2orr n SER 147 Ca -0.01 -0.95 0.04 0.00 -0.26 0.00 0.00 58.87 57.69 2orr n SER 147 Cb 0.22 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.29 2orr n SER 147 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 2orr n PHE 148 N -0.80 0.34 0.00 7.33 3.72 -0.62 -5.07 117.46 122.37 2orr n PHE 148 Ca 0.10 -0.51 0.00 0.00 -0.05 0.00 0.00 57.45 56.98 2orr n PHE 148 Cb 0.04 -0.04 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 2orr n PHE 148 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2orr n LYS 149 N 0.20 0.00 0.00 -1.08 4.81 -0.49 -0.96 118.16 120.64 2orr n LYS 149 Ca 0.09 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.66 2orr n LYS 149 Cb 0.39 0.00 0.56 0.00 0.02 0.00 0.00 35.03 36.00 2orr n LYS 149 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 2orr n GLU 150 N 6.93 0.53 -3.33 1.64 -0.00 -1.26 -4.86 120.64 120.29 2orr n GLU 150 Ca 0.00 -0.19 -0.33 0.00 -0.00 0.00 0.00 57.16 56.64 2orr n GLU 150 Cb 0.00 -1.50 -0.06 0.00 -0.00 0.00 0.00 31.44 29.89 2orr n GLU 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2orr s ALA 151 N -2.60 3.50 -0.63 -1.84 0.00 -0.13 -4.61 121.76 115.45 2orr s ALA 151 Ca 0.25 -0.15 -0.01 0.00 0.00 0.00 0.00 51.96 52.04 2orr s ALA 151 Cb 0.20 -2.55 0.00 0.00 0.00 0.00 0.00 23.12 20.77 2orr s ALA 151 CO 0.51 0.45 0.54 1.63 0.00 0.00 0.00 175.76 178.88 2orr n LYS 152 N 0.02 -3.56 -0.06 0.00 5.02 -1.26 -4.79 118.16 113.52 2orr n LYS 152 Ca 0.00 0.43 -0.15 0.00 -2.02 0.00 0.00 58.31 56.57 2orr n LYS 152 Cb 0.52 -4.22 -0.06 0.00 -0.02 0.00 0.00 35.03 31.25 2orr n LYS 152 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2orr h ILE 153 N -1.08 1.33 -0.10 -0.18 5.03 -1.95 -1.80 117.51 118.76 2orr h ILE 153 Ca -0.30 -1.64 -0.09 0.00 -0.12 0.00 0.00 64.86 62.72 2orr h ILE 153 Cb 1.18 1.87 -0.01 0.00 -3.03 0.00 0.00 36.82 36.82 2orr h ILE 153 CO 0.26 0.51 -0.32 -0.33 -0.68 0.00 0.00 178.15 177.59 2orr h GLU 154 N 0.31 0.19 -0.18 2.37 5.08 -1.98 -1.83 114.58 118.53 2orr h GLU 154 Ca 0.01 -0.07 -0.17 0.00 -1.00 0.00 0.00 59.36 58.12 2orr h GLU 154 Cb 1.01 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 30.25 2orr h GLU 154 CO 0.09 0.50 -0.59 0.93 -1.00 0.00 0.00 179.01 178.94 2orr h GLU 155 N 0.17 0.61 -0.19 2.33 5.08 -1.94 -1.83 114.58 118.80 2orr h GLU 155 Ca 0.02 -0.41 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2orr h GLU 155 Cb 0.66 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.96 2orr h GLU 155 CO 0.05 1.02 0.11 1.25 -1.00 0.00 0.00 179.01 180.44 2orr h HIS 156 N 0.46 0.26 -0.48 4.33 2.76 -0.89 -1.62 115.15 119.96 2orr h HIS 156 Ca -0.00 -0.01 -0.07 0.00 -2.20 0.00 0.00 60.37 58.10 2orr h HIS 156 Cb 1.16 -0.08 -0.02 0.00 1.55 0.00 0.00 27.41 30.02 2orr h HIS 156 CO 0.05 0.24 0.04 -0.07 -1.30 0.00 0.00 177.93 176.90 2orr h LEU 157 N 0.21 0.79 -1.07 0.26 3.38 -1.28 -1.07 115.31 116.53 2orr h LEU 157 Ca 0.07 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.77 2orr h LEU 157 Cb 0.06 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.55 2orr h LEU 157 CO -0.01 0.87 0.63 0.00 0.09 0.00 0.00 178.44 180.02 2orr h ALA 158 N 0.94 1.34 -0.31 1.53 0.00 -1.23 -1.05 119.26 120.49 2orr h ALA 158 Ca 0.14 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 2orr h ALA 158 Cb 0.44 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2orr h ALA 158 CO 0.02 0.59 -0.46 -0.09 0.00 0.00 0.00 179.25 179.31 2orr h ARG 159 N 1.26 0.85 -0.64 0.00 9.65 -0.93 -1.17 114.38 123.41 2orr h ARG 159 Ca 0.36 -0.51 0.06 0.00 -1.10 0.00 0.00 59.98 58.79 2orr h ARG 159 Cb -0.09 0.04 -0.05 0.00 -1.39 0.00 0.00 29.97 28.48 2orr h ARG 159 CO -0.09 1.14 0.34 -0.07 2.80 0.00 0.00 179.97 184.10 2orr h LEU 160 N 0.64 0.50 -0.54 3.80 3.38 -0.82 -0.21 115.31 122.07 2orr h LEU 160 Ca 0.03 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.91 2orr h LEU 160 Cb 1.06 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2orr h LEU 160 CO 0.11 0.33 -0.14 -0.08 0.09 0.00 0.00 178.44 178.74 2orr h GLU 161 N 0.64 1.03 -0.18 1.13 4.81 -1.04 -2.41 114.58 118.56 2orr h GLU 161 Ca 0.29 -0.40 -0.18 0.00 -0.13 0.00 0.00 59.36 58.94 2orr h GLU 161 Cb 0.19 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.51 2orr h GLU 161 CO -0.18 1.09 -0.61 0.00 -0.73 0.00 0.00 179.01 178.58 2orr h ALA 162 N 0.92 0.59 -0.34 2.92 0.00 -0.75 -2.68 119.26 119.93 2orr h ALA 162 Ca 0.13 -0.54 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 2orr h ALA 162 Cb 0.72 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2orr h ALA 162 CO 0.06 0.70 -0.35 0.28 0.00 0.00 0.00 179.25 179.94 2orr h VAL 163 N 0.45 1.28 -0.32 0.00 2.07 -1.04 -2.28 116.25 116.41 2orr h VAL 163 Ca -0.01 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 65.95 2orr h VAL 163 Cb 1.18 1.39 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 2orr h VAL 163 CO 0.12 0.49 -0.02 0.74 0.02 0.00 0.00 177.57 178.93 2orr h THR 164 N 0.64 1.26 -0.09 2.57 2.02 -1.38 -0.24 112.91 117.69 2orr h THR 164 Ca 0.06 -0.99 -0.09 0.00 0.77 0.00 0.00 66.41 66.16 2orr h THR 164 Cb 0.89 1.26 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2orr h THR 164 CO 0.08 0.32 -0.35 0.11 0.37 0.00 0.00 175.52 176.05 2orr h LYS 165 N 0.38 0.18 -0.23 6.66 1.57 -1.50 -0.14 116.57 123.49 2orr h LYS 165 Ca 0.09 -0.08 -0.18 0.00 -1.87 0.00 0.00 60.65 58.62 2orr h LYS 165 Cb 0.47 -0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2orr h LYS 165 CO 0.02 0.52 -0.57 1.49 -0.57 0.00 0.00 179.45 180.34 2orr h GLU 166 N 0.16 0.72 -0.42 3.15 4.81 -1.07 -1.09 114.58 120.83 2orr h GLU 166 Ca 0.02 -0.47 -0.12 0.00 -0.13 0.00 0.00 59.36 58.66 2orr h GLU 166 Cb 0.70 0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.13 2orr h GLU 166 CO 0.05 1.09 -0.20 0.82 -0.73 0.00 0.00 179.01 180.05 2orr h ILE 167 N 0.54 1.28 0.00 2.32 2.04 -0.77 0.11 117.51 123.03 2orr h ILE 167 Ca 0.00 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.46 2orr h ILE 167 Cb 1.16 1.24 -0.01 0.00 -0.74 0.00 0.00 36.82 38.47 2orr h ILE 167 CO 0.12 0.45 -0.30 -0.33 0.00 0.00 0.00 178.15 178.09 2orr h GLU 168 N 0.69 0.00 0.01 2.37 5.08 -0.93 0.64 114.58 122.44 2orr h GLU 168 Ca 0.09 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 58.09 2orr h GLU 168 Cb 0.76 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.94 2orr h GLU 168 CO 0.06 0.30 -2.31 0.25 -1.00 0.00 0.00 179.01 176.31 2orr n THR 169 N -3.56 1.47 0.46 1.13 -2.24 -0.42 -4.61 114.28 106.51 2orr n THR 169 Ca -0.01 -0.75 0.05 0.00 -2.27 0.00 0.00 64.05 61.07 2orr n THR 169 Cb 0.44 -0.90 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 2orr n THR 169 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2orr n THR 170 N -2.99 0.00 0.00 4.28 -2.24 0.37 -4.99 114.28 108.72 2orr n THR 170 Ca -0.35 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 2orr n THR 170 Cb 1.09 0.96 0.00 0.00 -2.10 0.00 0.00 70.33 70.28 2orr n THR 170 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2orr n GLY 171 N 1.28 2.55 0.00 3.38 0.00 0.22 -4.96 105.19 107.65 2orr n GLY 171 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2orr n GLY 171 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2orr n THR 172 N -2.00 0.00 -3.82 2.61 5.66 -1.25 -4.86 114.28 110.61 2orr n THR 172 Ca 0.00 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.90 2orr n THR 172 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 2orr n THR 172 CO 0.00 0.00 0.00 -0.72 -3.05 0.00 0.00 175.07 171.30 2orr s TYR 173 N -3.75 0.07 -0.09 1.09 1.13 -1.26 -2.65 117.35 111.89 2orr s TYR 173 Ca 0.00 -0.43 0.01 0.00 -1.41 0.00 0.00 57.07 55.25 2orr s TYR 173 Cb 0.00 0.23 -0.02 0.00 -1.10 0.00 0.00 41.96 41.07 2orr s TYR 173 CO 0.00 -0.85 -0.13 -0.65 -2.51 0.00 0.00 175.55 171.42 2orr s GLN 174 N -3.91 2.93 0.49 -3.49 -1.52 -1.26 -5.08 119.66 107.82 2orr s GLN 174 Ca 0.12 -0.67 -0.20 0.00 -1.95 0.00 0.00 55.36 52.66 2orr s GLN 174 Cb 0.01 -2.52 -0.08 0.00 -0.22 0.00 0.00 33.01 30.19 2orr s GLN 174 CO -0.02 0.45 1.06 -0.51 -0.25 0.00 0.00 175.29 176.03 2orr s LEU 175 N -0.27 3.85 0.68 2.90 1.43 -1.26 -5.05 118.68 120.96 2orr s LEU 175 Ca 0.02 2.01 -0.11 0.00 -1.03 0.00 0.00 54.13 55.01 2orr s LEU 175 Cb -0.13 -4.53 0.00 0.00 0.03 0.00 0.00 46.19 41.56 2orr s LEU 175 CO 0.03 -0.87 1.06 0.42 0.23 0.00 0.00 176.35 177.22 2orr s THR 176 N -1.90 4.02 0.39 5.49 -4.23 -1.26 -4.86 115.64 113.29 2orr s THR 176 Ca 0.68 0.68 0.14 0.00 -1.18 0.00 0.00 61.69 62.01 2orr s THR 176 Cb -0.19 -3.40 0.13 0.00 1.34 0.00 0.00 72.50 70.38 2orr s THR 176 CO 0.22 -0.83 1.88 0.17 -0.54 0.00 0.00 174.62 175.53 2orr h LEU 177 N -0.60 0.00 -0.64 4.79 8.10 -1.99 0.11 115.31 125.09 2orr h LEU 177 Ca -0.44 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 57.47 2orr h LEU 177 Cb 1.21 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 41.41 2orr h LEU 177 CO 0.57 0.31 0.08 -0.78 -4.11 0.00 0.00 178.44 174.50 2orr h ASP 178 N 0.00 1.04 -0.21 0.17 1.82 -2.00 -0.43 116.42 116.81 2orr h ASP 178 Ca -0.00 -0.27 -0.08 0.00 -0.39 0.00 0.00 57.03 56.28 2orr h ASP 178 Cb 0.55 -0.28 -0.02 0.00 0.68 0.00 0.00 39.33 40.27 2orr h ASP 178 CO 0.04 1.05 -0.14 -0.33 -1.61 0.00 0.00 179.24 178.25 2orr h GLU 179 N 0.99 0.61 -0.41 0.28 5.08 -1.70 -2.23 114.58 117.20 2orr h GLU 179 Ca 0.19 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.25 2orr h GLU 179 Cb 0.47 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 2orr h GLU 179 CO 0.02 0.73 -0.14 1.25 -1.00 0.00 0.00 179.01 179.87 2orr h LEU 180 N 0.56 0.84 -0.29 1.33 5.85 -0.50 -0.72 115.31 122.37 2orr h LEU 180 Ca 0.10 -0.38 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 2orr h LEU 180 Cb 0.56 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 2orr h LEU 180 CO 0.04 1.03 0.14 0.40 -0.34 0.00 0.00 178.44 179.70 2orr h ILE 181 N 0.64 1.16 -0.49 4.05 2.04 -1.01 -1.16 117.51 122.73 2orr h ILE 181 Ca 0.10 -0.46 0.07 0.00 1.00 0.00 0.00 64.86 65.57 2orr h ILE 181 Cb 0.69 0.92 -0.06 0.00 -0.74 0.00 0.00 36.82 37.63 2orr h ILE 181 CO 0.05 0.16 0.16 0.15 0.00 0.00 0.00 178.15 178.68 2orr h PHE 182 N 0.34 0.28 -0.61 1.37 3.57 -1.33 -2.29 116.94 118.28 2orr h PHE 182 Ca 0.10 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.60 2orr h PHE 182 Cb 0.13 -0.05 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 2orr h PHE 182 CO -0.02 0.08 0.30 0.00 -2.23 0.00 0.00 178.31 176.44 2orr h ALA 183 N 1.34 0.79 -0.41 2.41 0.00 -0.71 -1.12 119.26 121.56 2orr h ALA 183 Ca 0.24 -0.13 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 2orr h ALA 183 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2orr h ALA 183 CO -0.25 0.34 -0.10 1.79 0.00 0.00 0.00 179.25 181.03 2orr h THR 184 N 0.83 1.25 -0.07 0.00 1.35 -0.99 -0.58 112.91 114.71 2orr h THR 184 Ca 0.21 -1.12 -0.21 0.00 -0.55 0.00 0.00 66.41 64.74 2orr h THR 184 Cb 0.11 1.05 0.00 0.00 -1.73 0.00 0.00 68.15 67.58 2orr h THR 184 CO -0.03 0.38 -0.82 0.11 -0.25 0.00 0.00 175.52 174.91 2orr h LYS 185 N 0.65 0.50 -0.19 4.72 1.57 -1.16 -2.59 116.57 120.08 2orr h LYS 185 Ca 0.11 -0.45 -0.17 0.00 -1.87 0.00 0.00 60.65 58.28 2orr h LYS 185 Cb 0.55 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.96 2orr h LYS 185 CO 0.03 1.09 -0.57 0.52 -0.57 0.00 0.00 179.45 179.95 2orr h MET 186 N 0.32 0.59 -0.30 3.15 2.86 -1.07 -0.89 114.93 119.59 2orr h MET 186 Ca -0.05 -0.38 -0.06 0.00 -2.06 0.00 0.00 59.70 57.15 2orr h MET 186 Cb 1.43 0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.12 2orr h MET 186 CO 0.15 0.99 -0.06 0.00 1.06 0.00 0.00 176.91 179.05 2orr h ALA 187 N 0.93 1.34 -0.21 6.32 0.00 -1.11 0.92 119.26 127.45 2orr h ALA 187 Ca 0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.62 2orr h ALA 187 Cb 1.12 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2orr h ALA 187 CO 0.11 0.45 -0.14 2.35 0.00 0.00 0.00 179.25 182.01 2orr h TRP 188 N 0.46 0.56 -0.73 0.00 7.01 -1.24 -2.46 115.95 119.54 2orr h TRP 188 Ca 0.09 -0.15 0.08 0.00 2.11 0.00 0.00 58.89 61.03 2orr h TRP 188 Cb 0.39 -0.12 -0.05 0.00 -2.10 0.00 0.00 29.16 27.28 2orr h TRP 188 CO 0.01 0.78 0.48 -0.09 -2.79 0.00 0.00 178.44 176.84 2orr h ARG 189 N 0.17 0.67 -0.04 2.65 2.43 -0.71 -1.77 114.38 117.78 2orr h ARG 189 Ca 0.04 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2orr h ARG 189 Cb 0.66 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 2orr h ARG 189 CO 0.04 0.44 0.00 0.09 -1.51 0.00 0.00 179.97 179.03 2orr n ASN 190 N -4.49 0.47 -4.58 -3.80 3.02 0.28 -4.79 115.26 101.37 2orr n ASN 190 Ca 0.12 -1.40 -0.43 0.00 -0.03 0.00 0.00 54.58 52.83 2orr n ASN 190 Cb 0.29 -0.02 -0.03 0.00 -0.61 0.00 0.00 39.78 39.41 2orr n ASN 190 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2orr s ALA 191 N -1.96 3.17 0.22 5.41 0.00 -0.67 -4.93 121.76 123.01 2orr s ALA 191 Ca 0.34 -0.67 -0.08 0.00 0.00 0.00 0.00 51.96 51.54 2orr s ALA 191 Cb 0.16 -3.81 0.18 0.00 0.00 0.00 0.00 23.12 19.66 2orr s ALA 191 CO 0.26 -2.24 1.86 -1.35 0.00 0.00 0.00 175.76 174.30 2orr h PRO 192 N 9.21 1.14 -0.01 0.00 0.11 -1.88 -2.93 132.00 137.65 2orr h PRO 192 Ca -0.24 -0.11 0.00 0.00 0.11 0.00 0.00 66.00 65.76 2orr h PRO 192 Cb 1.07 -0.23 0.00 0.00 0.11 0.00 0.00 31.00 31.94 2orr h PRO 192 CO 1.10 0.82 -0.28 0.54 -0.21 0.00 0.00 178.00 179.96 2orr n ARG 193 N -4.42 0.97 -2.73 1.05 1.74 -1.26 -4.87 116.66 107.13 2orr n ARG 193 Ca 0.08 -0.63 -0.43 0.00 -0.77 0.00 0.00 57.85 56.11 2orr n ARG 193 Cb 0.07 -1.49 -0.03 0.00 -1.02 0.00 0.00 32.46 29.99 2orr n ARG 193 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2orr h ILE 195 N 6.01 1.13 0.00 0.00 1.08 -1.89 -2.74 117.51 121.10 2orr h ILE 195 Ca -0.23 -0.60 0.00 0.00 -0.39 0.00 0.00 64.86 63.64 2orr h ILE 195 Cb 1.07 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.04 2orr h ILE 195 CO 1.04 0.18 0.00 0.61 -0.69 0.00 0.00 178.15 179.29 2orr n GLY 196 N -1.04 -1.22 0.00 5.37 0.00 -1.26 -3.37 105.19 103.67 2orr n GLY 196 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 46.02 46.13 2orr n GLY 196 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2orr n ARG 197 N -2.09 0.14 0.21 1.61 1.85 -1.04 -2.18 116.66 115.16 2orr n ARG 197 Ca 0.02 0.20 0.05 0.00 -1.00 0.00 0.00 57.85 57.12 2orr n ARG 197 Cb 0.22 -1.50 0.46 0.00 -1.05 0.00 0.00 32.46 30.59 2orr n ARG 197 CO 0.00 0.00 0.00 0.97 -0.01 0.00 0.00 177.63 178.59 2orr h ILE 198 N 0.00 1.10 -1.73 8.89 2.10 -1.81 -3.08 117.51 122.98 2orr h ILE 198 Ca 0.00 -0.95 -0.65 0.00 1.08 0.00 0.00 64.86 64.34 2orr h ILE 198 Cb 0.15 1.53 -0.37 0.00 -1.09 0.00 0.00 36.82 37.03 2orr h ILE 198 CO 0.00 0.26 -0.17 0.00 -1.08 0.00 0.00 178.15 177.16 2orr n GLN 199 N -4.08 3.30 0.19 2.19 -0.00 -0.93 -4.88 117.38 113.17 2orr n GLN 199 Ca -0.02 -4.27 0.14 0.00 -0.00 0.00 0.00 57.00 52.84 2orr n GLN 199 Cb 0.33 -2.26 0.67 0.00 -0.00 0.00 0.00 30.24 28.98 2orr n GLN 199 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.06 177.17 2orr h TRP 200 N 2.78 0.00 0.00 2.61 5.08 -1.71 -2.09 115.95 122.61 2orr h TRP 200 Ca 0.37 0.00 0.00 0.00 1.08 0.00 0.00 58.89 60.34 2orr h TRP 200 Cb 0.62 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 26.78 2orr h TRP 200 CO 0.94 0.00 -0.00 0.66 -1.28 0.00 0.00 178.44 178.75 2orr h SER 201 N 0.00 0.00 -0.56 0.11 4.64 -1.90 -3.38 113.55 112.46 2orr h SER 201 Ca 0.00 -0.00 -0.71 0.00 -0.47 0.00 0.00 61.79 60.61 2orr h SER 201 Cb 0.15 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.16 2orr h SER 201 CO 0.00 0.00 2.63 0.59 -0.87 0.00 0.00 176.83 179.18 2orr n ASN 202 N -2.66 4.40 -3.69 4.97 3.02 -0.79 -4.89 115.26 115.62 2orr n ASN 202 Ca 0.05 -2.91 -0.18 0.00 -0.03 0.00 0.00 54.58 51.51 2orr n ASN 202 Cb 0.48 -1.65 -0.17 0.00 -0.61 0.00 0.00 39.78 37.83 2orr n ASN 202 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 2orr s LEU 203 N 2.25 0.33 -0.13 3.41 2.96 -1.26 -4.57 118.68 121.68 2orr s LEU 203 Ca 0.47 0.13 -0.19 0.00 -0.22 0.00 0.00 54.13 54.32 2orr s LEU 203 Cb 0.10 -0.03 -0.04 0.00 0.50 0.00 0.00 46.19 46.72 2orr s LEU 203 CO -0.03 -0.22 0.53 -1.58 -1.32 0.00 0.00 176.35 173.73 2orr s GLN 204 N 1.91 4.32 -0.17 1.98 2.00 -0.68 -4.98 119.66 124.03 2orr s GLN 204 Ca 0.01 0.52 -0.06 0.00 -2.00 0.00 0.00 55.36 53.82 2orr s GLN 204 Cb -0.12 -3.47 -0.04 0.00 0.80 0.00 0.00 33.01 30.18 2orr s GLN 204 CO -0.04 0.07 0.04 0.08 -0.50 0.00 0.00 175.29 174.94 2orr s VAL 205 N 0.90 4.62 -0.23 1.34 1.01 -1.26 -0.49 120.40 126.29 2orr s VAL 205 Ca 0.28 -0.10 -0.06 0.00 0.00 0.00 0.00 61.98 62.10 2orr s VAL 205 Cb -0.16 -3.06 -0.02 0.00 0.00 0.00 0.00 36.38 33.14 2orr s VAL 205 CO 0.11 0.48 0.02 -0.36 0.00 0.00 0.00 175.10 175.35 2orr s PHE 206 N 0.29 3.04 -0.54 5.22 0.08 0.80 -4.95 117.98 121.90 2orr s PHE 206 Ca 0.02 -0.57 -0.21 0.00 0.12 0.00 0.00 56.93 56.29 2orr s PHE 206 Cb -0.13 -2.15 0.06 0.00 -0.57 0.00 0.00 43.02 40.23 2orr s PHE 206 CO 0.01 -0.37 0.75 0.34 -0.10 0.00 0.00 175.22 175.84 2orr s ASP 207 N 1.38 6.24 -0.28 1.36 2.15 -1.26 -1.36 116.67 124.90 2orr s ASP 207 Ca 0.05 -0.84 0.10 0.00 0.43 0.00 0.00 52.55 52.28 2orr s ASP 207 Cb -0.15 -2.34 0.52 0.00 -0.30 0.00 0.00 42.92 40.66 2orr s ASP 207 CO 0.01 -1.06 1.49 0.00 -0.17 0.00 0.00 175.17 175.44 2orr n ALA 208 N 6.66 4.16 0.56 3.66 0.00 -0.13 -4.74 120.51 130.70 2orr n ALA 208 Ca -0.05 -2.97 0.08 0.00 0.00 0.00 0.00 53.44 50.50 2orr n ALA 208 Cb 0.46 -0.79 0.34 0.00 0.00 0.00 0.00 19.45 19.46 2orr n ALA 208 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2orr n ARG 209 N -1.02 0.02 -0.58 0.00 1.74 -1.08 -1.36 116.66 114.38 2orr n ARG 209 Ca 0.33 0.22 0.10 0.00 -0.77 0.00 0.00 57.85 57.73 2orr n ARG 209 Cb 1.06 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 31.35 2orr n ARG 209 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 2orr n ASN 210 N -1.48 4.61 -4.77 0.55 2.04 -1.26 -4.33 115.26 110.62 2orr n ASN 210 Ca 0.04 -2.37 -0.40 0.00 -0.44 0.00 0.00 54.58 51.41 2orr n ASN 210 Cb 0.18 -0.57 -0.02 0.00 -2.53 0.00 0.00 39.78 36.84 2orr n ASN 210 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 2orr n SER 212 N 0.72 3.71 -4.43 0.00 3.41 -1.26 -4.78 113.62 110.99 2orr n SER 212 Ca 0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.40 2orr n SER 212 Cb 0.43 0.46 -0.10 0.00 -0.26 0.00 0.00 64.21 64.74 2orr n SER 212 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 2orr s THR 213 N -1.68 1.89 0.34 6.66 -4.23 -1.26 -4.59 115.64 112.77 2orr s THR 213 Ca 0.00 -2.21 0.04 0.00 -1.18 0.00 0.00 61.69 58.34 2orr s THR 213 Cb 0.00 -2.33 0.19 0.00 1.34 0.00 0.00 72.50 71.70 2orr s THR 213 CO 0.00 -0.39 1.91 0.00 -0.54 0.00 0.00 174.62 175.60 2orr h ALA 214 N 2.33 1.42 -0.67 3.99 0.00 -1.90 -0.59 119.26 123.84 2orr h ALA 214 Ca -0.40 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.32 2orr h ALA 214 Cb 1.24 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.82 2orr h ALA 214 CO 0.65 0.42 0.26 1.96 0.00 0.00 0.00 179.25 182.54 2orr h GLN 215 N 0.59 1.01 -0.57 0.00 1.08 -1.96 0.42 115.11 115.68 2orr h GLN 215 Ca 0.14 -0.19 -0.09 0.00 -1.45 0.00 0.00 58.65 57.06 2orr h GLN 215 Cb 0.21 -0.16 -0.02 0.00 -0.05 0.00 0.00 27.48 27.46 2orr h GLN 215 CO -0.01 0.85 0.02 0.93 -0.95 0.00 0.00 178.83 179.67 2orr h GLU 216 N 0.95 1.00 -0.48 1.46 5.08 -1.86 -2.35 114.58 118.38 2orr h GLU 216 Ca 0.22 -0.31 0.07 0.00 -1.00 0.00 0.00 59.36 58.34 2orr h GLU 216 Cb 0.22 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.32 2orr h GLU 216 CO -0.02 0.98 0.16 0.52 -1.00 0.00 0.00 179.01 179.66 2orr h MET 217 N 0.89 0.32 -0.66 2.33 2.86 -0.73 -1.48 114.93 118.46 2orr h MET 217 Ca 0.16 -0.02 0.08 0.00 -2.06 0.00 0.00 59.70 57.86 2orr h MET 217 Cb 0.52 -0.07 -0.06 0.00 0.06 0.00 0.00 31.60 32.05 2orr h MET 217 CO 0.03 0.21 0.32 0.35 1.06 0.00 0.00 176.91 178.88 2orr h PHE 218 N 0.33 0.58 -0.28 -0.22 3.57 -0.63 -0.94 116.94 119.34 2orr h PHE 218 Ca 0.23 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.64 2orr h PHE 218 Cb 0.25 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2orr h PHE 218 CO -0.17 0.23 -0.31 1.96 -2.23 0.00 0.00 178.31 177.79 2orr h GLN 219 N 0.58 0.59 -0.48 1.11 1.08 -0.88 -1.28 115.11 115.84 2orr h GLN 219 Ca 0.31 -0.26 -0.03 0.00 -1.45 0.00 0.00 58.65 57.22 2orr h GLN 219 Cb 0.29 -0.02 -0.02 0.00 -0.05 0.00 0.00 27.48 27.68 2orr h GLN 219 CO -0.24 0.83 0.18 0.45 -0.95 0.00 0.00 178.83 179.11 2orr h HIS 220 N 0.51 0.73 -0.64 2.96 3.86 -0.63 -1.85 115.15 120.09 2orr h HIS 220 Ca 0.06 -0.06 -0.07 0.00 -1.16 0.00 0.00 60.37 59.14 2orr h HIS 220 Cb 0.79 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 29.01 2orr h HIS 220 CO 0.03 0.62 0.12 0.82 0.86 0.00 0.00 177.93 180.38 2orr h ILE 221 N 0.63 1.25 -0.75 2.45 2.04 -0.91 -0.84 117.51 121.39 2orr h ILE 221 Ca 0.16 -0.98 0.00 0.00 1.00 0.00 0.00 64.86 65.04 2orr h ILE 221 Cb 0.21 0.64 -0.04 0.00 -0.74 0.00 0.00 36.82 36.88 2orr h ILE 221 CO -0.01 0.37 0.48 0.00 0.00 0.00 0.00 178.15 178.99 2orr h ARG 223 N 1.02 0.04 0.16 0.00 2.43 -0.78 -1.27 114.38 115.98 2orr h ARG 223 Ca 0.27 -0.00 0.01 0.00 -0.81 0.00 0.00 59.98 59.45 2orr h ARG 223 Cb -0.09 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.42 2orr h ARG 223 CO -0.06 0.03 -0.23 1.25 -1.51 0.00 0.00 179.97 179.45 2orr h HIS 224 N 0.04 -0.62 -0.79 2.20 2.76 -0.80 -1.06 115.15 116.88 2orr h HIS 224 Ca 0.05 0.01 0.04 0.00 -2.20 0.00 0.00 60.37 58.27 2orr h HIS 224 Cb 0.06 0.25 -0.05 0.00 1.55 0.00 0.00 27.41 29.22 2orr h HIS 224 CO -0.13 -0.34 0.50 0.82 -1.30 0.00 0.00 177.93 177.47 2orr h ILE 225 N -0.46 1.09 0.31 6.26 2.04 -0.89 0.40 117.51 126.27 2orr h ILE 225 Ca 0.02 -0.33 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 2orr h ILE 225 Cb 0.46 0.06 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 2orr h ILE 225 CO -0.10 0.17 -0.18 -0.07 0.00 0.00 0.00 178.15 177.97 2orr h LEU 226 N 0.95 -0.43 -0.39 1.44 3.38 -0.99 -0.87 115.31 118.39 2orr h LEU 226 Ca 0.33 0.02 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 2orr h LEU 226 Cb 0.06 0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.92 2orr h LEU 226 CO -0.13 -0.29 0.13 0.22 0.09 0.00 0.00 178.44 178.46 2orr h TYR 227 N -0.46 0.63 -0.09 1.13 3.20 -0.74 -2.00 116.97 118.63 2orr h TYR 227 Ca -0.04 -0.06 -0.16 0.00 3.14 0.00 0.00 58.73 61.61 2orr h TYR 227 Cb 0.37 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.45 2orr h TYR 227 CO -0.08 0.58 -0.64 0.00 -1.64 0.00 0.00 178.16 176.39 2orr h ALA 228 N 0.98 0.73 -0.10 1.82 0.00 -0.90 -3.20 119.26 118.58 2orr h ALA 228 Ca 0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 2orr h ALA 228 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.96 2orr h ALA 228 CO -0.01 0.73 -0.33 1.15 0.00 0.00 0.00 179.25 180.80 2orr h THR 229 N 0.26 1.39 -6.54 0.00 2.02 -1.10 0.09 112.91 109.04 2orr h THR 229 Ca -0.01 -1.66 -0.51 0.00 0.77 0.00 0.00 66.41 64.99 2orr h THR 229 Cb 1.18 2.18 -0.10 0.00 -1.74 0.00 0.00 68.15 69.67 2orr h THR 229 CO 0.11 0.49 -0.85 -3.20 0.37 0.00 0.00 175.52 172.43 2orr n ASN 230 N -4.39 -1.83 -2.03 4.18 4.05 -0.76 0.42 115.26 114.90 2orr n ASN 230 Ca -0.08 -0.97 -0.15 0.00 0.45 0.00 0.00 54.58 53.83 2orr n ASN 230 Cb 0.50 -3.10 -0.03 0.00 1.23 0.00 0.00 39.78 38.38 2orr n ASN 230 CO 0.00 0.00 0.00 0.59 -3.05 0.00 0.00 177.26 174.80 2orr n ASN 231 N -2.87 -4.20 0.00 1.20 3.02 -1.26 -1.74 115.26 109.41 2orr n ASN 231 Ca -0.15 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.63 2orr n ASN 231 Cb 0.61 -3.66 0.00 0.00 -0.61 0.00 0.00 39.78 36.11 2orr n ASN 231 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2orr n GLY 232 N -0.63 1.33 3.27 7.41 0.00 0.17 -4.94 105.19 111.80 2orr n GLY 232 Ca -0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2orr n GLY 232 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2orr n ASN 233 N 0.00 4.68 -4.77 1.61 5.15 -0.71 -1.75 115.26 119.46 2orr n ASN 233 Ca 0.00 -2.92 -0.41 0.00 -0.60 0.00 0.00 54.58 50.65 2orr n ASN 233 Cb 0.00 -1.68 -0.00 0.00 -0.53 0.00 0.00 39.78 37.56 2orr n ASN 233 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2orr s ILE 234 N 3.34 2.01 -0.02 -1.44 -1.09 -1.25 -4.61 121.20 118.13 2orr s ILE 234 Ca 0.50 0.01 0.07 0.00 -2.23 0.00 0.00 60.65 59.00 2orr s ILE 234 Cb 0.06 -3.01 -0.02 0.00 -1.58 0.00 0.00 42.46 37.92 2orr s ILE 234 CO 0.02 0.00 -0.23 -0.13 -1.23 0.00 0.00 174.94 173.37 2orr s ARG 235 N -1.81 1.97 0.21 2.79 0.52 0.02 -4.99 118.95 117.67 2orr s ARG 235 Ca 0.55 -0.83 -0.30 0.00 -0.52 0.00 0.00 55.73 54.63 2orr s ARG 235 Cb -0.47 -1.86 -0.08 0.00 0.52 0.00 0.00 34.95 33.05 2orr s ARG 235 CO 0.61 0.47 1.11 -1.12 0.02 0.00 0.00 175.30 176.39 2orr s SER 236 N -0.47 7.25 0.03 0.23 0.01 -1.26 -4.45 113.70 115.04 2orr s SER 236 Ca 0.07 2.16 -0.16 0.00 1.31 0.00 0.00 55.95 59.33 2orr s SER 236 Cb -0.10 -2.61 0.03 0.00 0.21 0.00 0.00 66.02 63.55 2orr s SER 236 CO -0.00 -0.21 0.37 0.00 0.41 0.00 0.00 173.24 173.81 2orr s ALA 237 N -0.53 -0.88 -0.00 1.44 0.00 -1.21 -1.69 121.76 118.89 2orr s ALA 237 Ca 0.48 0.24 0.01 0.00 0.00 0.00 0.00 51.96 52.69 2orr s ALA 237 Cb -0.31 0.28 -0.00 0.00 0.00 0.00 0.00 23.12 23.09 2orr s ALA 237 CO 0.37 -0.41 -0.05 -1.50 0.00 0.00 0.00 175.76 174.18 2orr s ILE 238 N -2.28 0.36 -0.16 0.00 2.07 0.36 -2.02 121.20 119.52 2orr s ILE 238 Ca -0.07 -0.25 -0.00 0.00 -1.41 0.00 0.00 60.65 58.92 2orr s ILE 238 Cb -0.01 -0.32 -0.00 0.00 0.13 0.00 0.00 42.46 42.26 2orr s ILE 238 CO -0.01 0.06 -0.14 -0.89 -1.91 0.00 0.00 174.94 172.05 2orr s THR 239 N -0.20 2.69 -0.28 4.00 2.01 -0.68 -0.14 115.64 123.04 2orr s THR 239 Ca 0.01 -0.75 -0.05 0.00 0.31 0.00 0.00 61.69 61.20 2orr s THR 239 Cb -0.02 -2.15 0.01 0.00 0.01 0.00 0.00 72.50 70.35 2orr s THR 239 CO -0.00 0.51 0.04 -0.69 -0.69 0.00 0.00 174.62 173.79 2orr s VAL 240 N 0.94 3.67 0.76 3.82 1.01 -0.46 -3.28 120.40 126.86 2orr s VAL 240 Ca -0.03 -0.78 -0.02 0.00 0.00 0.00 0.00 61.98 61.15 2orr s VAL 240 Cb -0.15 -2.88 0.16 0.00 0.00 0.00 0.00 36.38 33.50 2orr s VAL 240 CO -0.02 0.12 1.04 0.49 0.00 0.00 0.00 175.10 176.73 2orr n PHE 241 N 4.81 -3.07 -1.73 5.22 3.72 -0.92 -0.95 117.46 124.54 2orr n PHE 241 Ca -0.15 -1.70 -0.42 0.00 -0.05 0.00 0.00 57.45 55.13 2orr n PHE 241 Cb 0.48 -0.77 -0.01 0.00 -0.94 0.00 0.00 39.48 38.24 2orr n PHE 241 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2orr n PRO 242 N -2.98 2.35 -0.91 -1.08 -0.02 -1.25 -4.62 135.00 126.49 2orr n PRO 242 Ca 0.17 0.82 -0.31 0.00 -2.02 0.00 0.00 63.50 62.16 2orr n PRO 242 Cb 0.59 -2.47 0.14 0.00 -0.02 0.00 0.00 33.50 31.74 2orr n PRO 242 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 2orr s GLN 243 N -1.75 1.38 0.23 -0.52 -2.07 -1.26 -4.64 119.66 111.04 2orr s GLN 243 Ca 0.56 1.35 -0.30 0.00 -1.82 0.00 0.00 55.36 55.15 2orr s GLN 243 Cb -0.54 -1.78 -0.10 0.00 -1.09 0.00 0.00 33.01 29.50 2orr s GLN 243 CO 0.61 -2.31 1.41 0.50 -1.32 0.00 0.00 175.29 174.18 2orr s ARG 244 N -4.75 4.29 0.00 9.60 3.52 0.11 -4.95 118.95 126.78 2orr s ARG 244 Ca 0.65 2.24 0.00 0.00 -0.13 0.00 0.00 55.73 58.49 2orr s ARG 244 Cb -0.21 -3.13 0.00 0.00 -1.56 0.00 0.00 34.95 30.05 2orr s ARG 244 CO 0.57 -0.38 0.00 -1.13 -0.81 0.00 0.00 175.30 173.55 2orr n SER 245 N 2.45 0.00 -0.29 -2.12 3.41 -1.26 -4.76 113.62 111.04 2orr n SER 245 Ca 0.07 0.00 0.13 0.00 -0.26 0.00 0.00 58.87 58.80 2orr n SER 245 Cb 0.41 0.00 0.31 0.00 -0.26 0.00 0.00 64.21 64.67 2orr n SER 245 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 2orr n ASP 246 N 0.00 1.21 0.00 4.04 5.68 -1.26 -4.20 116.55 122.02 2orr n ASP 246 Ca 0.00 -1.01 0.00 0.00 -0.50 0.00 0.00 54.79 53.28 2orr n ASP 246 Cb 0.00 0.20 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 2orr n ASP 246 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2orr n GLY 247 N 1.35 0.86 0.55 6.12 0.00 -1.26 -1.79 105.19 111.02 2orr n GLY 247 Ca 0.12 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2orr n GLY 247 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2orr n LYS 248 N -2.00 1.50 -0.84 1.61 5.02 -1.26 -4.42 118.16 117.77 2orr n LYS 248 Ca 0.00 -1.13 0.04 0.00 -2.02 0.00 0.00 58.31 55.19 2orr n LYS 248 Cb 0.00 -1.42 0.17 0.00 -0.02 0.00 0.00 35.03 33.76 2orr n LYS 248 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 2orr n HIS 249 N 0.23 0.20 -1.76 2.13 8.25 -1.26 -4.31 115.22 118.70 2orr n HIS 249 Ca 0.09 -1.43 -0.41 0.00 -0.26 0.00 0.00 57.72 55.71 2orr n HIS 249 Cb 0.46 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.32 2orr n HIS 249 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 2orr n ASP 250 N -0.88 3.90 -4.74 0.41 9.92 -1.26 -2.99 116.55 120.90 2orr n ASP 250 Ca 0.19 1.17 -0.40 0.00 -0.53 0.00 0.00 54.79 55.22 2orr n ASP 250 Cb 0.77 -1.61 -0.05 0.00 -0.64 0.00 0.00 41.12 39.59 2orr n ASP 250 CO 0.00 0.00 0.00 -0.36 0.13 0.00 0.00 177.20 176.97 2orr s PHE 251 N -0.30 3.69 -0.05 1.24 0.40 -1.26 -0.76 117.98 120.94 2orr s PHE 251 Ca 0.61 1.37 -0.10 0.00 -0.60 0.00 0.00 56.93 58.21 2orr s PHE 251 Cb -0.48 -2.77 0.02 0.00 0.51 0.00 0.00 43.02 40.29 2orr s PHE 251 CO 0.53 0.25 0.23 1.03 0.70 0.00 0.00 175.22 177.96 2orr s ARG 252 N 0.10 0.43 -0.23 0.44 1.81 -0.66 -3.16 118.95 117.68 2orr s ARG 252 Ca 0.37 0.01 -0.12 0.00 -1.72 0.00 0.00 55.73 54.27 2orr s ARG 252 Cb -0.19 0.19 -0.05 0.00 -0.45 0.00 0.00 34.95 34.45 2orr s ARG 252 CO 0.21 -0.09 0.24 -0.51 -0.68 0.00 0.00 175.30 174.46 2orr s LEU 253 N -0.63 4.12 0.38 2.53 1.02 -1.26 -1.28 118.68 123.55 2orr s LEU 253 Ca -0.07 0.22 0.25 0.00 0.02 0.00 0.00 54.13 54.55 2orr s LEU 253 Cb -0.04 -2.23 0.60 0.00 0.02 0.00 0.00 46.19 44.53 2orr s LEU 253 CO 0.02 0.01 1.70 -0.50 0.02 0.00 0.00 176.35 177.59 2orr h TRP 254 N 7.56 0.00 -4.15 0.29 4.06 -1.58 -3.42 115.95 118.71 2orr h TRP 254 Ca -0.37 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.06 2orr h TRP 254 Cb 1.17 0.00 0.12 0.00 -1.00 0.00 0.00 29.16 29.45 2orr h TRP 254 CO 0.68 0.00 0.42 -0.80 -3.56 0.00 0.00 178.44 175.18 2orr s ASN 255 N -5.62 4.83 0.01 -3.49 -0.87 -1.26 -4.92 114.94 103.62 2orr s ASN 255 Ca 0.07 2.28 0.07 0.00 -1.57 0.00 0.00 52.86 53.71 2orr s ASN 255 Cb 0.08 -2.58 -0.24 0.00 -0.02 0.00 0.00 41.25 38.49 2orr s ASN 255 CO 0.63 -1.83 0.86 0.77 -2.57 0.00 0.00 177.10 174.96 2orr h SER 256 N 0.28 0.10 -4.43 -1.22 4.64 -1.92 -3.35 113.55 107.65 2orr h SER 256 Ca -0.49 -0.16 -0.30 0.00 -0.47 0.00 0.00 61.79 60.37 2orr h SER 256 Cb 1.28 -0.03 -0.17 0.00 -0.31 0.00 0.00 62.40 63.17 2orr h SER 256 CO 0.53 1.14 -0.73 -1.10 -0.87 0.00 0.00 176.83 175.80 2orr s GLN 257 N -2.63 0.83 0.15 4.77 -0.21 -1.26 -1.15 119.66 120.16 2orr s GLN 257 Ca -0.05 -1.17 -0.13 0.00 0.02 0.00 0.00 55.36 54.03 2orr s GLN 257 Cb 0.08 -0.46 0.04 0.00 1.00 0.00 0.00 33.01 33.67 2orr s GLN 257 CO 0.83 0.06 1.68 -0.07 -2.12 0.00 0.00 175.29 175.67 2orr h LEU 258 N 3.50 0.75 -8.24 2.90 3.38 -1.69 -3.41 115.31 112.51 2orr h LEU 258 Ca -0.37 -0.21 -0.67 0.00 0.09 0.00 0.00 57.88 56.73 2orr h LEU 258 Cb 1.19 -0.20 -0.32 0.00 0.09 0.00 0.00 40.66 41.42 2orr h LEU 258 CO 0.54 0.76 -0.81 -0.63 0.09 0.00 0.00 178.44 178.39 2orr s ILE 259 N -5.40 2.54 -0.03 1.22 -1.09 -1.26 -4.88 121.20 112.29 2orr s ILE 259 Ca -0.13 -0.79 -0.27 0.00 -2.23 0.00 0.00 60.65 57.23 2orr s ILE 259 Cb 0.12 -2.09 0.06 0.00 -1.58 0.00 0.00 42.46 38.97 2orr s ILE 259 CO 0.79 0.51 0.61 -0.60 -1.23 0.00 0.00 174.94 175.01 2orr s ARG 260 N 1.17 1.00 0.26 2.79 3.52 -1.26 -4.85 118.95 121.58 2orr s ARG 260 Ca 0.01 0.13 -0.18 0.00 -0.13 0.00 0.00 55.73 55.56 2orr s ARG 260 Cb -0.14 0.47 -0.09 0.00 -1.56 0.00 0.00 34.95 33.63 2orr s ARG 260 CO -0.06 -0.32 0.74 0.71 -0.81 0.00 0.00 175.30 175.56 2orr s TYR 261 N -1.38 3.55 0.59 5.12 2.02 -1.26 -0.56 117.35 125.44 2orr s TYR 261 Ca -0.11 1.35 -0.17 0.00 -0.37 0.00 0.00 57.07 57.77 2orr s TYR 261 Cb -0.01 -2.60 -0.03 0.00 -0.40 0.00 0.00 41.96 38.91 2orr s TYR 261 CO 0.08 0.25 1.10 0.00 -1.57 0.00 0.00 175.55 175.40 2orr s ALA 262 N -1.69 2.63 -0.02 3.71 0.00 0.19 -4.32 121.76 122.27 2orr s ALA 262 Ca 0.47 0.60 0.05 0.00 0.00 0.00 0.00 51.96 53.08 2orr s ALA 262 Cb -0.14 -3.30 -0.01 0.00 0.00 0.00 0.00 23.12 19.66 2orr s ALA 262 CO 0.20 -0.93 -0.18 0.20 0.00 0.00 0.00 175.76 175.04 2orr s GLY 263 N -2.34 0.89 0.00 0.00 0.00 -1.21 -1.76 107.32 102.91 2orr s GLY 263 Ca 0.68 -0.77 0.00 0.00 0.00 0.00 0.00 44.72 44.63 2orr s GLY 263 CO 0.34 -0.62 0.00 -1.72 0.00 0.00 0.00 173.10 171.11 2orr n TYR 264 N 2.69 0.00 0.00 1.90 4.01 0.57 -4.21 117.16 122.12 2orr n TYR 264 Ca -0.15 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.59 2orr n TYR 264 Cb 0.54 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.57 2orr n TYR 264 CO 0.00 0.00 0.00 2.41 -0.46 0.00 0.00 176.86 178.81 2orr n THR 270 N -0.20 0.00 -3.45 -0.72 -1.04 -1.26 -1.66 114.28 105.95 2orr n THR 270 Ca 0.00 0.00 -0.38 0.00 -2.04 0.00 0.00 64.05 61.63 2orr n THR 270 Cb 0.00 0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.45 2orr n THR 270 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2orr s ILE 271 N 0.00 4.96 -0.18 12.58 1.01 -1.26 -5.08 121.20 133.24 2orr s ILE 271 Ca 0.00 0.89 0.00 0.00 0.00 0.00 0.00 60.65 61.54 2orr s ILE 271 Cb 0.00 -3.75 0.04 0.00 0.01 0.00 0.00 42.46 38.77 2orr s ILE 271 CO 0.00 0.54 -0.08 -0.60 0.00 0.00 0.00 174.94 174.80 2orr s ARG 272 N -1.19 1.75 0.00 2.79 6.06 -0.66 -5.05 118.95 122.64 2orr s ARG 272 Ca 0.26 -0.69 0.00 0.00 -2.50 0.00 0.00 55.73 52.81 2orr s ARG 272 Cb -0.17 -2.22 0.00 0.00 0.06 0.00 0.00 34.95 32.62 2orr s ARG 272 CO 0.15 -0.43 0.00 0.41 -2.50 0.00 0.00 175.30 172.93 2orr n GLY 273 N 4.78 -0.16 3.71 8.12 0.00 -1.26 -0.31 105.19 120.06 2orr n GLY 273 Ca -0.13 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.59 2orr n GLY 273 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2orr s ASP 274 N -4.00 7.11 0.24 1.61 2.15 -0.72 -4.87 116.67 118.20 2orr s ASP 274 Ca 0.00 1.35 0.08 0.00 0.43 0.00 0.00 52.55 54.41 2orr s ASP 274 Cb 0.00 -2.47 0.25 0.00 -0.30 0.00 0.00 42.92 40.40 2orr s ASP 274 CO 0.00 -0.22 1.55 0.00 -0.17 0.00 0.00 175.17 176.33 2orr h ALA 275 N 6.88 0.86 0.00 3.66 0.00 -1.92 -3.15 119.26 125.59 2orr h ALA 275 Ca -0.39 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 53.92 2orr h ALA 275 Cb 1.19 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.88 2orr h ALA 275 CO 0.77 0.82 0.00 0.00 0.00 0.00 0.00 179.25 180.84 2orr n ALA 276 N -2.43 2.51 0.50 0.00 0.00 -1.26 -3.05 120.51 116.78 2orr n ALA 276 Ca -0.01 -0.16 0.06 0.00 0.00 0.00 0.00 53.44 53.32 2orr n ALA 276 Cb 0.66 -1.47 0.01 0.00 0.00 0.00 0.00 19.45 18.65 2orr n ALA 276 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2orr n THR 277 N -1.12 0.00 -0.33 0.00 -2.24 -1.19 -4.71 114.28 104.68 2orr n THR 277 Ca 0.18 -0.40 0.15 0.00 -2.27 0.00 0.00 64.05 61.71 2orr n THR 277 Cb 0.15 1.15 0.30 0.00 -2.10 0.00 0.00 70.33 69.84 2orr n THR 277 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2orr h LEU 278 N 1.43 -0.40 -0.12 3.22 3.38 -1.66 0.57 115.31 121.74 2orr h LEU 278 Ca 0.00 0.27 -0.03 0.00 0.09 0.00 0.00 57.88 58.21 2orr h LEU 278 Cb 0.40 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2orr h LEU 278 CO 0.00 -0.34 -0.05 -0.08 0.09 0.00 0.00 178.44 178.06 2orr h GLU 279 N 0.02 0.24 -0.62 1.13 4.81 -1.86 -2.27 114.58 116.03 2orr h GLU 279 Ca 0.61 -0.10 -0.10 0.00 -0.13 0.00 0.00 59.36 59.64 2orr h GLU 279 Cb 1.27 -0.01 -0.02 0.00 0.63 0.00 0.00 28.75 30.62 2orr h GLU 279 CO -0.89 0.57 0.01 0.35 -0.73 0.00 0.00 179.01 178.32 2orr h PHE 280 N -0.10 1.18 -0.29 0.92 3.57 -1.14 -1.73 116.94 119.35 2orr h PHE 280 Ca 0.03 -0.20 0.03 0.00 3.53 0.00 0.00 57.97 61.36 2orr h PHE 280 Cb 0.50 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 2orr h PHE 280 CO 0.06 1.04 0.08 1.15 -2.23 0.00 0.00 178.31 178.41 2orr h THR 281 N 0.99 0.90 -0.54 4.41 2.02 0.01 -0.19 112.91 120.52 2orr h THR 281 Ca 0.18 -0.07 -0.01 0.00 0.77 0.00 0.00 66.41 67.28 2orr h THR 281 Cb 0.56 0.68 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 2orr h THR 281 CO 0.03 0.04 0.30 -0.61 0.37 0.00 0.00 175.52 175.65 2orr h GLN 282 N 0.20 0.74 -0.58 6.66 5.75 -1.22 -1.58 115.11 125.09 2orr h GLN 282 Ca 0.13 -0.07 -0.02 0.00 -0.15 0.00 0.00 58.65 58.54 2orr h GLN 282 Cb 0.11 -0.15 -0.03 0.00 1.07 0.00 0.00 27.48 28.48 2orr h GLN 282 CO -0.15 0.54 0.30 1.25 -2.65 0.00 0.00 178.83 178.13 2orr h LEU 283 N 0.75 0.74 -0.31 -2.39 5.85 -0.27 0.57 115.31 120.24 2orr h LEU 283 Ca 0.19 -0.11 -0.02 0.00 0.84 0.00 0.00 57.88 58.79 2orr h LEU 283 Cb 0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 2orr h LEU 283 CO -0.03 0.64 0.12 0.00 -0.34 0.00 0.00 178.44 178.83 2orr h ILE 285 N 0.35 0.82 -0.15 0.00 2.04 -1.02 0.26 117.51 119.82 2orr h ILE 285 Ca 0.10 -0.16 0.04 0.00 1.00 0.00 0.00 64.86 65.85 2orr h ILE 285 Cb 0.19 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.58 2orr h ILE 285 CO -0.01 0.08 0.11 0.44 0.00 0.00 0.00 178.15 178.78 2orr h ASP 286 N 0.46 0.00 -0.29 1.72 3.32 -0.54 -1.94 116.42 119.15 2orr h ASP 286 Ca 0.30 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2orr h ASP 286 Cb 0.32 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.87 2orr h ASP 286 CO -0.27 0.00 0.00 0.18 -1.72 0.00 0.00 179.24 177.43 2orr n LEU 287 N -4.44 2.05 0.00 1.55 4.77 -0.02 -4.88 117.00 116.03 2orr n LEU 287 Ca 0.01 -0.94 0.00 0.00 -0.03 0.00 0.00 56.01 55.05 2orr n LEU 287 Cb 0.24 -0.19 0.00 0.00 -2.33 0.00 0.00 43.42 41.14 2orr n LEU 287 CO 0.34 0.47 0.00 0.61 -1.33 0.00 0.00 177.39 177.48 2orr n GLY 288 N 1.17 0.68 3.71 -0.72 0.00 -0.73 -4.93 105.19 104.38 2orr n GLY 288 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 2orr n GLY 288 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2orr s TRP 289 N -2.00 3.21 -0.51 1.61 -0.00 -0.60 -4.97 118.94 115.67 2orr s TRP 289 Ca 0.00 1.02 -0.21 0.00 -0.00 0.00 0.00 56.10 56.91 2orr s TRP 289 Cb 0.00 -3.61 0.05 0.00 -0.00 0.00 0.00 33.47 29.91 2orr s TRP 289 CO 0.00 -2.10 0.73 0.21 -0.00 0.00 0.00 176.95 175.78 2orr s LYS 290 N 1.39 3.22 0.10 5.86 2.20 -1.26 -4.24 119.74 127.01 2orr s LYS 290 Ca 0.63 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 55.34 2orr s LYS 290 Cb -0.34 -4.05 -0.06 0.00 -1.51 0.00 0.00 37.83 31.87 2orr s LYS 290 CO 0.29 -1.26 1.12 -1.25 -0.36 0.00 0.00 175.35 173.90 2orr s PRO 291 N 3.07 4.52 1.06 4.03 0.04 -1.26 -5.06 135.00 141.39 2orr s PRO 291 Ca 0.21 1.69 -0.17 0.00 0.04 0.00 0.00 61.00 62.78 2orr s PRO 291 Cb -0.16 -3.34 0.23 0.00 0.04 0.00 0.00 34.50 31.27 2orr s PRO 291 CO 0.16 -0.09 1.22 1.03 0.04 0.00 0.00 177.00 179.36 2orr s ARG 292 N 0.48 -0.08 -0.15 4.56 0.52 -1.26 -5.04 118.95 117.98 2orr s ARG 292 Ca 0.54 -0.23 0.16 0.00 -0.52 0.00 0.00 55.73 55.68 2orr s ARG 292 Cb -0.28 -1.74 0.43 0.00 0.52 0.00 0.00 34.95 33.88 2orr s ARG 292 CO 0.31 -2.93 1.20 0.66 0.02 0.00 0.00 175.30 174.56 2orr n TYR 293 N -4.17 0.30 -1.25 -0.53 4.02 -1.26 -5.05 117.16 109.22 2orr n TYR 293 Ca 0.14 -1.28 -0.25 0.00 -0.01 0.00 0.00 57.90 56.50 2orr n TYR 293 Cb 0.59 -0.23 0.20 0.00 -0.02 0.00 0.00 39.34 39.88 2orr n TYR 293 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2orr n GLY 294 N -0.55 -2.26 0.77 2.72 0.00 -1.26 -4.97 105.19 99.63 2orr n GLY 294 Ca 0.16 -1.56 0.09 0.00 0.00 0.00 0.00 46.02 44.71 2orr n GLY 294 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2orr n ARG 295 N -3.95 1.71 -2.59 1.61 1.85 -1.26 -4.41 116.66 109.62 2orr n ARG 295 Ca 0.13 -1.71 -0.10 0.00 -1.00 0.00 0.00 57.85 55.17 2orr n ARG 295 Cb 0.49 -1.36 0.03 0.00 -1.05 0.00 0.00 32.46 30.57 2orr n ARG 295 CO 0.00 0.00 0.00 1.19 -0.01 0.00 0.00 177.63 178.81 2orr n PHE 296 N 1.02 1.79 -2.70 2.89 3.72 -1.26 -4.26 117.46 118.66 2orr n PHE 296 Ca 0.12 -2.45 -0.43 0.00 -0.05 0.00 0.00 57.45 54.64 2orr n PHE 296 Cb 0.46 -0.27 -0.02 0.00 -0.94 0.00 0.00 39.48 38.70 2orr n PHE 296 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 2orr s ASP 297 N -3.55 7.06 -0.06 4.37 1.01 -1.26 -4.93 116.67 119.31 2orr s ASP 297 Ca 0.34 1.32 -0.30 0.00 0.71 0.00 0.00 52.55 54.63 2orr s ASP 297 Cb 0.38 -2.52 -0.04 0.00 1.01 0.00 0.00 42.92 41.75 2orr s ASP 297 CO -0.02 -0.65 1.36 -0.69 0.21 0.00 0.00 175.17 175.38 2orr s VAL 298 N 3.14 3.94 0.65 -1.27 1.01 -1.26 0.54 120.40 127.15 2orr s VAL 298 Ca 0.43 1.26 -0.18 0.00 0.00 0.00 0.00 61.98 63.48 2orr s VAL 298 Cb -0.15 -3.81 -0.01 0.00 0.00 0.00 0.00 36.38 32.41 2orr s VAL 298 CO 0.06 -0.04 1.26 -0.76 0.00 0.00 0.00 175.10 175.62 2orr s LEU 299 N 2.80 3.55 0.77 3.92 1.43 0.27 -4.85 118.68 126.58 2orr s LEU 299 Ca 0.61 2.53 -0.11 0.00 -1.03 0.00 0.00 54.13 56.12 2orr s LEU 299 Cb -0.28 -4.61 0.06 0.00 0.03 0.00 0.00 46.19 41.39 2orr s LEU 299 CO 0.23 -1.95 1.10 -2.16 0.23 0.00 0.00 176.35 173.80 2orr s PRO 300 N -3.45 2.28 0.01 1.29 0.04 -1.26 -4.66 135.00 129.26 2orr s PRO 300 Ca 0.80 0.59 -0.27 0.00 0.04 0.00 0.00 61.00 62.16 2orr s PRO 300 Cb -0.35 -1.95 -0.04 0.00 0.04 0.00 0.00 34.50 32.21 2orr s PRO 300 CO 0.39 -1.47 0.84 -0.51 0.04 0.00 0.00 177.00 176.29 2orr s LEU 301 N -5.67 4.40 -0.34 -3.56 1.43 0.14 -4.87 118.68 110.21 2orr s LEU 301 Ca 0.60 1.49 -0.04 0.00 -1.03 0.00 0.00 54.13 55.15 2orr s LEU 301 Cb -0.13 -3.34 0.05 0.00 0.03 0.00 0.00 46.19 42.79 2orr s LEU 301 CO 0.54 -0.11 0.08 -0.69 0.23 0.00 0.00 176.35 176.40 2orr s VAL 302 N 0.50 3.45 -0.14 -1.59 1.01 -1.26 -0.33 120.40 122.05 2orr s VAL 302 Ca 0.43 -1.34 0.02 0.00 0.00 0.00 0.00 61.98 61.10 2orr s VAL 302 Cb -0.20 -3.02 0.01 0.00 0.00 0.00 0.00 36.38 33.16 2orr s VAL 302 CO 0.24 -0.22 -0.20 -0.76 0.00 0.00 0.00 175.10 174.16 2orr s LEU 303 N 1.32 2.22 -0.19 3.92 1.43 0.00 -1.41 118.68 125.96 2orr s LEU 303 Ca -0.02 -0.56 -0.05 0.00 -1.03 0.00 0.00 54.13 52.47 2orr s LEU 303 Cb -0.20 -1.47 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 2orr s LEU 303 CO 0.01 0.09 0.01 -1.58 0.23 0.00 0.00 176.35 175.11 2orr s GLN 304 N 0.74 3.70 -0.05 1.70 0.74 -0.41 -0.69 119.66 125.40 2orr s GLN 304 Ca -0.08 -0.48 0.06 0.00 0.05 0.00 0.00 55.36 54.91 2orr s GLN 304 Cb -0.16 -3.10 -0.01 0.00 1.10 0.00 0.00 33.01 30.84 2orr s GLN 304 CO 0.00 0.09 -0.23 0.00 -0.55 0.00 0.00 175.29 174.59 2orr s ALA 305 N 0.82 2.01 -1.25 1.58 0.00 -1.26 -1.66 121.76 122.00 2orr s ALA 305 Ca 0.01 -0.98 -0.01 0.00 0.00 0.00 0.00 51.96 50.99 2orr s ALA 305 Cb -0.14 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.37 2orr s ALA 305 CO 0.02 0.40 0.07 -3.47 0.00 0.00 0.00 175.76 172.78 2orr n ASP 306 N 2.92 -4.44 0.00 0.00 2.03 -1.23 -1.26 116.55 114.58 2orr n ASP 306 Ca -0.17 0.08 0.00 0.00 0.52 0.00 0.00 54.79 55.22 2orr n ASP 306 Cb 0.52 -3.73 0.00 0.00 -0.72 0.00 0.00 41.12 37.19 2orr n ASP 306 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2orr n GLY 307 N -0.91 1.14 3.78 0.27 0.00 0.06 -4.44 105.19 105.10 2orr n GLY 307 Ca -0.16 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.57 2orr n GLY 307 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2orr s GLN 308 N -0.22 1.37 0.48 1.61 -1.52 -0.39 -4.87 119.66 116.12 2orr s GLN 308 Ca 0.00 0.41 -0.23 0.00 -1.95 0.00 0.00 55.36 53.59 2orr s GLN 308 Cb 0.00 -1.85 -0.08 0.00 -0.22 0.00 0.00 33.01 30.86 2orr s GLN 308 CO 0.00 -2.07 1.23 -0.25 -0.25 0.00 0.00 175.29 173.95 2orr n ASP 309 N -3.70 2.23 -4.74 5.90 8.00 -1.26 -4.39 116.55 118.58 2orr n ASP 309 Ca 0.07 1.02 -0.34 0.00 0.71 0.00 0.00 54.79 56.24 2orr n ASP 309 Cb 0.58 -1.49 0.06 0.00 -0.02 0.00 0.00 41.12 40.25 2orr n ASP 309 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2orr s PRO 310 N -2.47 2.55 0.18 -0.24 0.04 -1.26 -4.70 135.00 129.11 2orr s PRO 310 Ca 0.66 1.65 0.11 0.00 0.04 0.00 0.00 61.00 63.47 2orr s PRO 310 Cb -0.47 -1.89 -0.04 0.00 0.04 0.00 0.00 34.50 32.13 2orr s PRO 310 CO 0.54 -1.49 -0.23 -1.21 0.04 0.00 0.00 177.00 174.65 2orr s GLU 311 N -3.82 1.56 -0.18 4.56 2.02 0.14 -4.87 118.70 118.10 2orr s GLU 311 Ca 0.73 -1.48 -0.08 0.00 0.02 0.00 0.00 54.97 54.16 2orr s GLU 311 Cb -0.26 -1.88 -0.04 0.00 0.10 0.00 0.00 34.13 32.04 2orr s GLU 311 CO 0.41 0.41 0.07 0.08 0.02 0.00 0.00 175.26 176.25 2orr s VAL 312 N -1.59 4.90 -0.13 2.63 1.01 -1.26 -0.82 120.40 125.14 2orr s VAL 312 Ca 0.20 0.00 -0.01 0.00 0.00 0.00 0.00 61.98 62.18 2orr s VAL 312 Cb -0.08 -3.21 0.04 0.00 0.00 0.00 0.00 36.38 33.13 2orr s VAL 312 CO 0.10 0.47 -0.03 -0.36 0.00 0.00 0.00 175.10 175.28 2orr s PHE 313 N 0.30 1.21 0.24 5.22 0.08 0.55 -4.97 117.98 120.62 2orr s PHE 313 Ca 0.04 -0.67 -0.30 0.00 0.12 0.00 0.00 56.93 56.12 2orr s PHE 313 Cb -0.12 -1.08 -0.10 0.00 -0.57 0.00 0.00 43.02 41.14 2orr s PHE 313 CO -0.00 -0.50 1.46 -1.21 -0.10 0.00 0.00 175.22 174.87 2orr s GLU 314 N 1.80 4.25 -0.04 0.44 0.41 -1.26 0.26 118.70 124.56 2orr s GLU 314 Ca 0.03 2.32 -0.30 0.00 -0.41 0.00 0.00 54.97 56.61 2orr s GLU 314 Cb -0.14 -3.11 -0.03 0.00 -1.78 0.00 0.00 34.13 29.07 2orr s GLU 314 CO -0.07 -0.45 1.10 0.42 -0.49 0.00 0.00 175.26 175.77 2orr s ILE 315 N 0.13 4.48 -0.03 -1.63 1.01 -1.26 -4.89 121.20 119.02 2orr s ILE 315 Ca 0.61 1.78 -0.34 0.00 0.00 0.00 0.00 60.65 62.70 2orr s ILE 315 Cb -0.42 -4.14 -0.12 0.00 0.01 0.00 0.00 42.46 37.78 2orr s ILE 315 CO 0.42 0.05 1.81 -2.65 0.00 0.00 0.00 174.94 174.58 2orr n PRO 316 N 4.64 2.19 -0.24 2.79 -0.02 -1.26 -4.82 135.00 138.28 2orr n PRO 316 Ca 0.09 0.80 0.22 0.00 -2.02 0.00 0.00 63.50 62.59 2orr n PRO 316 Cb 0.48 -2.63 0.57 0.00 -0.02 0.00 0.00 33.50 31.90 2orr n PRO 316 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 2orr h PRO 317 N 8.46 0.28 0.00 0.52 0.11 -1.96 0.32 132.00 139.73 2orr h PRO 317 Ca -0.48 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2orr h PRO 317 Cb 1.27 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2orr h PRO 317 CO 0.93 0.19 0.00 0.38 -0.21 0.00 0.00 178.00 179.29 2orr h ASP 318 N 0.29 0.00 0.89 -2.05 3.04 -2.04 -1.90 116.42 114.64 2orr h ASP 318 Ca 0.48 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 54.27 2orr h ASP 318 Cb 1.38 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.67 2orr h ASP 318 CO -0.15 0.00 -0.20 0.18 -2.04 0.00 0.00 179.24 177.03 2orr n LEU 319 N -2.58 0.29 -4.34 0.15 4.77 0.11 -4.71 117.00 110.69 2orr n LEU 319 Ca 0.00 0.33 -0.43 0.00 -0.03 0.00 0.00 56.01 55.88 2orr n LEU 319 Cb 0.20 -0.38 -0.08 0.00 -2.33 0.00 0.00 43.42 40.83 2orr n LEU 319 CO 0.20 0.02 0.01 -0.69 -1.33 0.00 0.00 177.39 175.59 2orr s VAL 320 N -3.02 4.96 -0.00 4.08 1.01 -0.71 -4.83 120.40 121.88 2orr s VAL 320 Ca 0.12 -1.22 -0.26 0.00 0.00 0.00 0.00 61.98 60.62 2orr s VAL 320 Cb 0.17 -4.01 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2orr s VAL 320 CO 0.60 -0.60 0.82 -0.22 0.00 0.00 0.00 175.10 175.71 2orr s LEU 321 N 1.58 4.38 0.04 3.92 2.96 -1.26 -5.04 118.68 125.26 2orr s LEU 321 Ca 0.04 1.45 0.07 0.00 -0.22 0.00 0.00 54.13 55.46 2orr s LEU 321 Cb -0.25 -3.31 -0.02 0.00 0.50 0.00 0.00 46.19 43.11 2orr s LEU 321 CO 0.05 -0.12 -0.19 -1.61 -1.32 0.00 0.00 176.35 173.16 2orr s GLU 322 N 0.57 1.30 -0.22 1.98 2.02 -1.26 -1.48 118.70 121.62 2orr s GLU 322 Ca 0.43 -0.87 -0.11 0.00 0.02 0.00 0.00 54.97 54.44 2orr s GLU 322 Cb -0.20 -1.37 -0.05 0.00 0.10 0.00 0.00 34.13 32.61 2orr s GLU 322 CO 0.23 0.35 0.16 0.08 0.02 0.00 0.00 175.26 176.11 2orr s VAL 323 N -0.77 5.37 -0.17 2.63 1.01 0.72 -4.91 120.40 124.27 2orr s VAL 323 Ca 0.06 0.23 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 2orr s VAL 323 Cb -0.08 -3.50 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2orr s VAL 323 CO 0.01 0.39 0.56 -0.89 0.00 0.00 0.00 175.10 175.17 2orr s THR 324 N 0.72 5.09 -0.52 3.92 2.01 -1.26 -1.84 115.64 123.75 2orr s THR 324 Ca 0.09 1.07 -0.29 0.00 0.31 0.00 0.00 61.69 62.87 2orr s THR 324 Cb -0.12 -3.89 0.03 0.00 0.01 0.00 0.00 72.50 68.53 2orr s THR 324 CO 0.02 0.19 1.17 -0.04 -0.69 0.00 0.00 174.62 175.27 2orr s MET 325 N 1.48 3.63 -0.55 4.92 -1.94 -1.26 -4.82 119.30 120.76 2orr s MET 325 Ca 0.27 0.45 0.07 0.00 -1.71 0.00 0.00 55.69 54.77 2orr s MET 325 Cb -0.16 -3.96 0.31 0.00 2.01 0.00 0.00 34.83 33.03 2orr s MET 325 CO 0.11 -1.51 0.81 0.39 -0.01 0.00 0.00 175.02 174.80 2orr n GLU 326 N 8.10 2.42 -1.44 2.03 1.02 -1.26 -4.97 120.64 126.54 2orr n GLU 326 Ca 0.11 -4.41 0.00 0.00 -0.02 0.00 0.00 57.16 52.84 2orr n GLU 326 Cb 0.49 -2.06 0.00 0.00 -0.02 0.00 0.00 31.44 29.85 2orr n GLU 326 CO 0.00 0.00 0.00 1.47 1.18 0.00 0.00 177.13 179.78 2orr n LEU 338 N 0.33 -3.68 -3.83 -4.62 -0.00 -1.26 -4.70 117.00 99.24 2orr n LEU 338 Ca 0.29 2.65 -0.06 0.00 -0.00 0.00 0.00 56.01 58.88 2orr n LEU 338 Cb 0.45 -2.41 -0.00 0.00 -0.00 0.00 0.00 43.42 41.46 2orr n LEU 338 CO 0.32 -0.02 0.57 -1.59 -0.00 0.00 0.00 177.39 176.67 2orr s LYS 339 N -3.37 1.73 0.03 1.47 -2.85 -1.26 -4.74 119.74 110.75 2orr s LYS 339 Ca 0.00 -1.02 -0.21 0.00 -1.00 0.00 0.00 55.97 53.75 2orr s LYS 339 Cb 0.00 0.55 0.04 0.00 -2.06 0.00 0.00 37.83 36.36 2orr s LYS 339 CO 0.00 -0.80 0.47 -0.46 0.10 0.00 0.00 175.35 174.66 2orr s TRP 340 N -3.22 -0.36 0.36 1.78 -0.11 -0.77 -4.98 118.94 111.64 2orr s TRP 340 Ca 0.13 0.43 -0.25 0.00 1.22 0.00 0.00 56.10 57.63 2orr s TRP 340 Cb -0.04 0.27 -0.10 0.00 -1.50 0.00 0.00 33.47 32.10 2orr s TRP 340 CO 0.07 -0.58 0.99 1.52 -4.62 0.00 0.00 176.95 174.32 2orr s TYR 341 N -2.19 3.51 -0.33 5.86 1.13 -1.26 -0.20 117.35 123.87 2orr s TYR 341 Ca -0.07 1.72 0.22 0.00 -1.41 0.00 0.00 57.07 57.53 2orr s TYR 341 Cb -0.01 -3.00 0.18 0.00 -1.10 0.00 0.00 41.96 38.02 2orr s TYR 341 CO 0.00 -0.14 1.36 0.00 -2.51 0.00 0.00 175.55 174.26 2orr h ALA 342 N 2.87 0.78 -2.93 9.51 0.00 -1.61 -3.45 119.26 124.43 2orr h ALA 342 Ca -0.47 -0.08 -0.70 0.00 0.00 0.00 0.00 54.91 53.66 2orr h ALA 342 Cb 1.20 0.01 -0.26 0.00 0.00 0.00 0.00 17.79 18.74 2orr h ALA 342 CO 0.64 0.10 -0.55 -1.17 0.00 0.00 0.00 179.25 178.26 2orr s LEU 343 N -5.92 4.47 -0.52 0.00 2.96 -1.26 -4.69 118.68 113.72 2orr s LEU 343 Ca 0.04 -0.97 -0.21 0.00 -0.22 0.00 0.00 54.13 52.76 2orr s LEU 343 Cb 0.07 -1.96 0.05 0.00 0.50 0.00 0.00 46.19 44.84 2orr s LEU 343 CO 0.73 -0.33 0.76 -2.16 -1.32 0.00 0.00 176.35 174.02 2orr s PRO 344 N 1.51 3.22 -0.12 0.98 0.04 -1.26 -4.66 135.00 134.71 2orr s PRO 344 Ca 0.01 -0.58 0.00 0.00 0.04 0.00 0.00 61.00 60.47 2orr s PRO 344 Cb -0.19 -4.07 0.02 0.00 0.04 0.00 0.00 34.50 30.30 2orr s PRO 344 CO 0.05 -1.32 -0.11 0.00 0.04 0.00 0.00 177.00 175.66 2orr s ALA 345 N 3.21 1.54 -0.09 8.56 0.00 -1.26 -2.72 121.76 131.00 2orr s ALA 345 Ca 0.22 -0.68 -0.26 0.00 0.00 0.00 0.00 51.96 51.24 2orr s ALA 345 Cb -0.16 -0.93 -0.03 0.00 0.00 0.00 0.00 23.12 22.00 2orr s ALA 345 CO 0.16 -0.34 0.83 0.08 0.00 0.00 0.00 175.76 176.49 2orr s VAL 346 N 1.50 4.93 -0.46 0.00 1.01 1.00 -1.83 120.40 126.54 2orr s VAL 346 Ca 0.03 1.68 0.13 0.00 0.00 0.00 0.00 61.98 63.82 2orr s VAL 346 Cb -0.13 -4.15 -0.15 0.00 0.00 0.00 0.00 36.38 31.94 2orr s VAL 346 CO -0.08 0.13 0.48 0.00 0.00 0.00 0.00 175.10 175.63 2orr n ALA 347 N 4.45 3.39 -0.24 5.51 0.00 -0.30 -1.42 120.51 131.89 2orr n ALA 347 Ca 0.03 -0.35 0.02 0.00 0.00 0.00 0.00 53.44 53.14 2orr n ALA 347 Cb 0.50 -0.46 0.03 0.00 0.00 0.00 0.00 19.45 19.52 2orr n ALA 347 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2orr n ASN 348 N -1.45 1.99 -4.95 0.00 0.23 -1.25 -4.42 115.26 105.41 2orr n ASN 348 Ca 0.01 -2.17 -0.21 0.00 -0.53 0.00 0.00 54.58 51.68 2orr n ASN 348 Cb 0.23 -0.08 0.04 0.00 -2.08 0.00 0.00 39.78 37.89 2orr n ASN 348 CO 0.00 0.00 0.00 -0.04 -0.93 0.00 0.00 177.26 176.29 2orr s MET 349 N -1.31 2.47 -0.10 -3.83 -1.94 -1.26 -4.33 119.30 109.00 2orr s MET 349 Ca 0.06 -0.92 0.03 0.00 -1.71 0.00 0.00 55.69 53.15 2orr s MET 349 Cb 0.05 -2.51 0.00 0.00 2.01 0.00 0.00 34.83 34.38 2orr s MET 349 CO 0.01 -0.74 -0.21 -1.17 -0.01 0.00 0.00 175.02 172.89 2orr s LEU 350 N -4.75 1.98 -0.21 -0.03 0.20 0.18 -4.07 118.68 111.98 2orr s LEU 350 Ca 0.58 -0.50 -0.17 0.00 0.69 0.00 0.00 54.13 54.73 2orr s LEU 350 Cb -0.10 -1.27 -0.03 0.00 -0.43 0.00 0.00 46.19 44.35 2orr s LEU 350 CO 0.38 0.11 0.46 -0.22 -0.29 0.00 0.00 176.35 176.80 2orr s LEU 351 N 0.51 4.14 -0.13 -0.68 2.96 -0.68 0.18 118.68 124.99 2orr s LEU 351 Ca -0.16 0.58 -0.04 0.00 -0.22 0.00 0.00 54.13 54.30 2orr s LEU 351 Cb -0.17 -2.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.87 2orr s LEU 351 CO 0.06 -0.14 0.00 -0.70 -1.32 0.00 0.00 176.35 174.25 2orr s GLU 352 N 1.56 3.41 -0.23 1.98 -6.30 -0.22 -0.30 118.70 118.61 2orr s GLU 352 Ca 0.21 -0.42 -0.08 0.00 -2.50 0.00 0.00 54.97 52.18 2orr s GLU 352 Cb -0.15 -2.92 0.10 0.00 0.00 0.00 0.00 34.13 31.16 2orr s GLU 352 CO 0.09 0.47 0.48 0.54 0.02 0.00 0.00 175.26 176.87 2orr s VAL 353 N -0.25 -0.74 -1.45 3.70 0.11 -0.26 -1.89 120.40 119.63 2orr s VAL 353 Ca 0.06 0.12 -0.09 0.00 -2.93 0.00 0.00 61.98 59.14 2orr s VAL 353 Cb -0.12 -0.76 0.05 0.00 -1.53 0.00 0.00 36.38 34.01 2orr s VAL 353 CO 0.02 0.05 0.72 0.61 -3.33 0.00 0.00 175.10 173.17 2orr n GLY 354 N 5.39 -0.51 2.27 6.54 0.00 -1.26 -0.78 105.19 116.85 2orr n GLY 354 Ca -0.10 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2orr n GLY 354 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2orr n GLY 355 N -1.50 2.33 3.84 -0.02 0.00 -1.26 -3.03 105.19 105.55 2orr n GLY 355 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 2orr n GLY 355 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2orr s LEU 356 N 0.00 4.16 -0.08 0.99 1.43 0.04 -4.97 118.68 120.26 2orr s LEU 356 Ca 0.00 1.27 0.03 0.00 -1.03 0.00 0.00 54.13 54.41 2orr s LEU 356 Cb 0.00 -3.87 0.00 0.00 0.03 0.00 0.00 46.19 42.35 2orr s LEU 356 CO 0.00 -0.12 -0.18 -1.61 0.23 0.00 0.00 176.35 174.67 2orr s GLU 357 N -2.65 2.30 -0.51 1.70 2.02 -1.26 -1.10 118.70 119.20 2orr s GLU 357 Ca 0.50 -0.66 0.03 0.00 0.02 0.00 0.00 54.97 54.86 2orr s GLU 357 Cb -0.12 -1.83 0.13 0.00 0.10 0.00 0.00 34.13 32.41 2orr s GLU 357 CO 0.19 0.14 0.25 -0.06 0.02 0.00 0.00 175.26 175.80 2orr s PHE 358 N 0.39 3.28 -1.39 1.61 0.40 0.59 0.08 117.98 122.94 2orr s PHE 358 Ca -0.14 -3.10 0.21 0.00 -0.60 0.00 0.00 56.93 53.30 2orr s PHE 358 Cb -0.16 -2.88 1.05 0.00 0.51 0.00 0.00 43.02 41.55 2orr s PHE 358 CO 0.06 -0.78 1.68 -0.35 0.70 0.00 0.00 175.22 176.52 2orr n PRO 359 N 3.29 0.27 -3.94 0.24 -0.04 -1.26 -1.69 135.00 131.87 2orr n PRO 359 Ca 0.05 0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.30 2orr n PRO 359 Cb 0.34 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.14 2orr n PRO 359 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2orr s ALA 360 N -2.61 1.92 -0.47 0.55 0.00 -1.19 -4.63 121.76 115.32 2orr s ALA 360 Ca 0.19 -1.30 0.06 0.00 0.00 0.00 0.00 51.96 50.91 2orr s ALA 360 Cb 0.14 -1.39 0.28 0.00 0.00 0.00 0.00 23.12 22.15 2orr s ALA 360 CO 0.33 -1.13 1.01 0.00 0.00 0.00 0.00 175.76 175.97 2orr s PRO 362 N 0.48 3.98 0.17 0.00 0.04 -1.20 -4.71 135.00 133.75 2orr s PRO 362 Ca 0.27 2.52 0.01 0.00 0.04 0.00 0.00 61.00 63.84 2orr s PRO 362 Cb 0.26 -2.87 -0.04 0.00 0.04 0.00 0.00 34.50 31.89 2orr s PRO 362 CO -0.15 -0.62 0.03 -0.59 0.04 0.00 0.00 177.00 175.71 2orr s PHE 363 N -1.15 1.14 0.01 0.56 -0.12 -0.51 -1.68 117.98 116.24 2orr s PHE 363 Ca 0.55 -1.11 -0.04 0.00 -0.05 0.00 0.00 56.93 56.28 2orr s PHE 363 Cb -0.46 -0.65 -0.01 0.00 -0.63 0.00 0.00 43.02 41.28 2orr s PHE 363 CO 0.61 -0.33 0.06 0.54 -0.05 0.00 0.00 175.22 176.06 2orr s ASN 364 N -3.15 0.13 0.00 1.98 4.22 -0.86 -0.00 114.94 117.26 2orr s ASN 364 Ca 0.26 -0.36 0.00 0.00 -2.14 0.00 0.00 52.86 50.62 2orr s ASN 364 Cb 0.07 0.16 0.00 0.00 1.28 0.00 0.00 41.25 42.76 2orr s ASN 364 CO 0.05 -0.35 0.00 0.61 -2.04 0.00 0.00 177.10 175.37 2orr n GLY 365 N 1.47 5.23 3.33 0.45 0.00 -1.10 -3.30 105.19 111.27 2orr n GLY 365 Ca -0.23 -1.56 -0.17 0.00 0.00 0.00 0.00 46.02 44.06 2orr n GLY 365 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2orr s TRP 366 N 3.90 1.57 0.71 1.61 -2.14 -1.26 -4.41 118.94 118.92 2orr s TRP 366 Ca 0.00 -1.02 -0.14 0.00 2.66 0.00 0.00 56.10 57.60 2orr s TRP 366 Cb 0.00 -0.93 0.03 0.00 -3.10 0.00 0.00 33.47 29.47 2orr s TRP 366 CO 0.00 -0.14 1.15 0.71 -2.66 0.00 0.00 176.95 176.01 2orr s TYR 367 N -3.53 2.31 0.00 1.66 2.02 -1.26 -4.80 117.35 113.74 2orr s TYR 367 Ca 0.32 1.59 0.00 0.00 -0.37 0.00 0.00 57.07 58.61 2orr s TYR 367 Cb 0.07 -3.30 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 2orr s TYR 367 CO 0.11 -2.16 0.07 -1.33 -1.57 0.00 0.00 175.55 170.66 2orr n MET 368 N -2.73 0.00 0.00 -0.62 2.81 -1.26 -0.47 117.12 114.85 2orr n MET 368 Ca 0.12 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.01 2orr n MET 368 Cb 0.51 -0.42 0.00 0.00 -0.71 0.00 0.00 33.22 32.60 2orr n MET 368 CO 0.00 0.00 0.00 0.28 1.51 0.00 0.00 175.97 177.76 2orr n VAL 414 N -0.31 0.00 0.24 2.03 0.31 -1.26 -4.64 118.33 114.70 2orr n VAL 414 Ca 0.00 0.00 0.12 0.00 -0.01 0.00 0.00 64.34 64.45 2orr n VAL 414 Cb 0.00 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.46 2orr n VAL 414 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2orr h ALA 415 N 0.00 1.02 -0.38 3.52 0.00 -2.01 -3.02 119.26 118.40 2orr h ALA 415 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 2orr h ALA 415 Cb 0.00 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2orr h ALA 415 CO 0.00 0.18 -0.02 0.28 0.00 0.00 0.00 179.25 179.69 2orr h VAL 416 N 0.00 1.26 -0.69 0.00 2.07 -1.99 -0.39 116.25 116.51 2orr h VAL 416 Ca -0.00 -1.04 0.09 0.00 0.82 0.00 0.00 66.70 66.58 2orr h VAL 416 Cb 0.67 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 2orr h VAL 416 CO 0.02 0.35 0.46 0.25 0.02 0.00 0.00 177.57 178.66 2orr h LEU 417 N 0.49 0.52 0.17 2.57 7.12 -1.95 -1.84 115.31 122.40 2orr h LEU 417 Ca 0.10 0.01 -0.31 0.00 0.13 0.00 0.00 57.88 57.82 2orr h LEU 417 Cb 0.50 -0.10 0.01 0.00 -0.53 0.00 0.00 40.66 40.54 2orr h LEU 417 CO 0.02 0.32 -1.44 -0.74 -0.13 0.00 0.00 178.44 176.47 2orr h HIS 418 N 0.58 0.66 -0.24 1.25 2.76 -1.53 -3.25 115.15 115.37 2orr h HIS 418 Ca 0.32 -0.48 -0.15 0.00 -2.20 0.00 0.00 60.37 57.86 2orr h HIS 418 Cb 0.47 -0.03 -0.01 0.00 1.55 0.00 0.00 27.41 29.39 2orr h HIS 418 CO -0.00 1.43 -0.45 0.77 -1.30 0.00 0.00 177.93 178.38 2orr h SER 419 N 0.10 0.67 -0.25 3.26 0.02 -0.42 -0.93 113.55 115.99 2orr h SER 419 Ca -0.22 -0.32 -0.12 0.00 -0.84 0.00 0.00 61.79 60.29 2orr h SER 419 Cb 2.06 -0.19 -0.00 0.00 0.14 0.00 0.00 62.40 64.41 2orr h SER 419 CO 0.21 1.03 -0.32 -0.26 -1.14 0.00 0.00 176.83 176.36 2orr h PHE 420 N 0.50 0.80 -0.33 3.45 -1.00 -1.51 -2.56 116.94 116.29 2orr h PHE 420 Ca 0.03 -0.26 -0.15 0.00 2.81 0.00 0.00 57.97 60.40 2orr h PHE 420 Cb 0.98 -0.16 -0.01 0.00 3.61 0.00 0.00 35.95 40.37 2orr h PHE 420 CO 0.04 1.00 -0.39 1.96 -1.61 0.00 0.00 178.31 179.31 2orr h GLN 421 N 0.37 0.81 0.00 1.51 4.20 -1.58 0.74 115.11 121.16 2orr h GLN 421 Ca 0.03 -0.42 -0.06 0.00 0.06 0.00 0.00 58.65 58.26 2orr h GLN 421 Cb 0.89 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.68 2orr h GLN 421 CO 0.08 1.05 -0.31 -0.22 -0.67 0.00 0.00 178.83 178.76 2orr h LYS 422 N 0.66 0.00 -0.45 1.46 3.64 -1.20 -2.60 116.57 118.08 2orr h LYS 422 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2orr h LYS 422 Cb 0.96 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.78 2orr h LYS 422 CO 0.09 0.31 0.00 1.04 -2.27 0.00 0.00 179.45 178.62 2orr n GLN 423 N -3.73 2.54 -3.48 1.90 6.02 -0.97 -4.97 117.38 114.70 2orr n GLN 423 Ca -0.01 -2.35 -0.21 0.00 -0.01 0.00 0.00 57.00 54.42 2orr n GLN 423 Cb 0.41 -1.52 0.07 0.00 1.02 0.00 0.00 30.24 30.22 2orr n GLN 423 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 2orr n ASN 424 N 1.51 -5.52 -4.54 1.08 3.02 -0.66 -5.00 115.26 105.14 2orr n ASN 424 Ca 0.20 -0.50 -0.34 0.00 -0.03 0.00 0.00 54.58 53.91 2orr n ASN 424 Cb 0.61 -4.65 -0.11 0.00 -0.61 0.00 0.00 39.78 35.02 2orr n ASN 424 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2orr s VAL 425 N -3.30 4.27 0.20 2.41 1.01 0.16 -4.16 120.40 121.01 2orr s VAL 425 Ca 0.47 -0.22 -0.32 0.00 0.00 0.00 0.00 61.98 61.91 2orr s VAL 425 Cb -0.21 -2.91 -0.12 0.00 0.00 0.00 0.00 36.38 33.15 2orr s VAL 425 CO 0.67 0.46 1.73 -0.89 0.00 0.00 0.00 175.10 177.07 2orr s THR 426 N 0.51 2.04 0.34 3.92 2.01 -0.72 -4.34 115.64 119.41 2orr s THR 426 Ca -0.00 0.01 0.03 0.00 0.31 0.00 0.00 61.69 62.04 2orr s THR 426 Cb -0.14 -3.00 -0.05 0.00 0.01 0.00 0.00 72.50 69.32 2orr s THR 426 CO 0.02 0.00 0.08 0.27 -0.69 0.00 0.00 174.62 174.30 2orr s ILE 427 N 1.27 0.94 -1.36 1.82 -4.36 -1.26 -4.28 121.20 113.98 2orr s ILE 427 Ca 0.75 -2.00 -0.10 0.00 -0.26 0.00 0.00 60.65 59.05 2orr s ILE 427 Cb -0.50 -2.65 0.11 0.00 1.25 0.00 0.00 42.46 40.67 2orr s ILE 427 CO 0.32 0.00 2.15 0.80 0.24 0.00 0.00 174.94 178.45 2orr n MET 428 N -0.72 3.64 -2.26 0.37 0.00 0.38 -4.65 117.12 113.88 2orr n MET 428 Ca -0.03 -3.18 -0.26 0.00 -0.00 0.00 0.00 57.70 54.23 2orr n MET 428 Cb 0.66 -2.94 0.12 0.00 0.00 0.00 0.00 33.22 31.06 2orr n MET 428 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 175.97 176.13 2orr s ASP 429 N 1.40 4.08 0.26 6.12 1.47 -1.26 -4.81 116.67 123.94 2orr s ASP 429 Ca 0.47 0.08 -0.04 0.00 1.18 0.00 0.00 52.55 54.24 2orr s ASP 429 Cb 0.13 -0.43 0.35 0.00 -0.34 0.00 0.00 42.92 42.62 2orr s ASP 429 CO -0.04 -2.07 1.92 0.45 0.68 0.00 0.00 175.17 176.11 2orr h HIS 430 N -0.91 1.21 -0.18 2.11 3.86 -1.99 0.77 115.15 120.02 2orr h HIS 430 Ca -0.41 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.83 2orr h HIS 430 Cb 1.27 -0.41 -0.01 0.00 1.06 0.00 0.00 27.41 29.33 2orr h HIS 430 CO -0.36 0.71 0.12 1.25 0.86 0.00 0.00 177.93 180.51 2orr h HIS 431 N 1.26 0.22 -0.52 2.45 -0.00 -1.95 -1.06 115.15 115.55 2orr h HIS 431 Ca 0.39 0.01 -0.11 0.00 -0.00 0.00 0.00 60.37 60.65 2orr h HIS 431 Cb -0.02 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.29 2orr h HIS 431 CO -0.00 0.14 -0.11 1.15 -0.00 0.00 0.00 177.93 179.11 2orr h THR 432 N 0.24 1.27 -0.59 6.26 2.02 -1.63 -0.68 112.91 119.80 2orr h THR 432 Ca 0.07 -1.26 0.07 0.00 0.77 0.00 0.00 66.41 66.06 2orr h THR 432 Cb -0.02 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 2orr h THR 432 CO -0.02 0.44 0.27 0.00 0.37 0.00 0.00 175.52 176.59 2orr h ALA 433 N 0.98 0.78 -0.08 6.16 0.00 -0.69 -0.11 119.26 126.30 2orr h ALA 433 Ca 0.14 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 2orr h ALA 433 Cb 0.67 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 2orr h ALA 433 CO 0.05 -0.10 -0.13 1.03 0.00 0.00 0.00 179.25 180.09 2orr h SER 434 N 0.50 0.26 -0.53 0.00 0.87 -0.81 -2.11 113.55 111.74 2orr h SER 434 Ca 0.28 -0.54 -0.08 0.00 -1.23 0.00 0.00 61.79 60.22 2orr h SER 434 Cb 0.26 -0.07 -0.02 0.00 -0.44 0.00 0.00 62.40 62.13 2orr h SER 434 CO -0.23 0.75 0.02 -0.08 -0.53 0.00 0.00 176.83 176.76 2orr h GLU 435 N -0.23 0.92 -0.32 2.24 4.81 -1.02 0.49 114.58 121.47 2orr h GLU 435 Ca 0.01 -0.28 -0.14 0.00 -0.13 0.00 0.00 59.36 58.82 2orr h GLU 435 Cb 0.70 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2orr h GLU 435 CO 0.03 0.93 -0.35 0.66 -0.73 0.00 0.00 179.01 179.54 2orr h SER 436 N 0.79 0.77 -0.48 1.04 4.64 -1.07 -0.59 113.55 118.65 2orr h SER 436 Ca 0.15 -0.33 -0.10 0.00 -0.47 0.00 0.00 61.79 61.04 2orr h SER 436 Cb 0.50 -0.21 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 2orr h SER 436 CO 0.02 1.05 -0.08 0.15 -0.87 0.00 0.00 176.83 177.10 2orr h PHE 437 N 0.61 1.04 -0.38 4.77 3.57 -1.22 -0.88 116.94 124.45 2orr h PHE 437 Ca 0.06 -0.20 -0.01 0.00 3.53 0.00 0.00 57.97 61.36 2orr h PHE 437 Cb 0.89 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.34 2orr h PHE 437 CO 0.04 0.97 0.20 1.98 -2.23 0.00 0.00 178.31 179.28 2orr h MET 438 N 0.85 0.54 -0.52 1.11 4.05 -0.62 0.16 114.93 120.50 2orr h MET 438 Ca 0.14 -0.07 -0.01 0.00 -0.28 0.00 0.00 59.70 59.48 2orr h MET 438 Cb 0.61 -0.10 -0.02 0.00 -0.80 0.00 0.00 31.60 31.28 2orr h MET 438 CO 0.04 0.45 0.28 0.87 0.23 0.00 0.00 176.91 178.78 2orr h LYS 439 N 0.48 0.74 -0.51 0.39 1.57 -0.98 -1.83 116.57 116.43 2orr h LYS 439 Ca 0.13 -0.09 0.09 0.00 -1.87 0.00 0.00 60.65 58.91 2orr h LYS 439 Cb 0.08 -0.14 -0.07 0.00 0.08 0.00 0.00 32.23 32.18 2orr h LYS 439 CO -0.02 0.58 0.11 1.25 -0.57 0.00 0.00 179.45 180.80 2orr h HIS 440 N 0.70 0.17 0.00 -1.35 2.76 -0.89 -2.52 115.15 114.02 2orr h HIS 440 Ca 0.18 0.03 -0.04 0.00 -2.20 0.00 0.00 60.37 58.34 2orr h HIS 440 Cb 0.07 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.02 2orr h HIS 440 CO -0.01 -0.00 -0.21 1.98 -1.30 0.00 0.00 177.93 178.38 2orr h MET 441 N 0.25 0.00 0.00 5.26 4.05 -0.32 -2.06 114.93 122.11 2orr h MET 441 Ca 0.25 0.00 -0.11 0.00 -0.28 0.00 0.00 59.70 59.57 2orr h MET 441 Cb 0.34 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.13 2orr h MET 441 CO -0.33 0.21 -0.50 1.96 0.23 0.00 0.00 176.91 178.48 2orr h GLN 442 N 0.00 0.00 0.00 0.39 4.20 -0.92 -3.14 115.11 115.63 2orr h GLN 442 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2orr h GLN 442 Cb 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2orr h GLN 442 CO 0.03 0.50 0.00 0.09 -0.67 0.00 0.00 178.83 178.78 2orr n ASN 443 N -3.31 0.00 -0.03 1.46 3.02 -0.77 -0.23 115.26 115.39 2orr n ASN 443 Ca 0.01 0.26 0.13 0.00 -0.03 0.00 0.00 54.58 54.96 2orr n ASN 443 Cb 0.69 -0.33 0.48 0.00 -0.61 0.00 0.00 39.78 40.01 2orr n ASN 443 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 2orr n GLU 444 N -1.33 0.17 -0.55 3.52 2.13 -1.19 -5.14 120.64 118.25 2orr n GLU 444 Ca 0.02 -0.06 -0.06 0.00 0.66 0.00 0.00 57.16 57.73 2orr n GLU 444 Cb 0.05 -1.50 0.14 0.00 0.27 0.00 0.00 31.44 30.40 2orr n GLU 444 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2orr n TYR 445 N -1.36 1.34 0.00 4.31 0.53 0.68 -5.19 117.16 117.46 2orr n TYR 445 Ca 0.08 -0.84 0.00 0.00 -1.02 0.00 0.00 57.90 56.12 2orr n TYR 445 Cb 0.32 -0.48 0.00 0.00 -1.03 0.00 0.00 39.34 38.15 2orr n TYR 445 CO 0.00 0.00 0.00 0.28 -1.02 0.00 0.00 176.86 176.12 2orr n VAL 478 N -0.06 0.00 -3.18 -0.72 0.31 -1.26 -5.07 118.33 108.35 2orr n VAL 478 Ca 0.23 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 64.18 2orr n VAL 478 Cb 0.94 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.81 2orr n VAL 478 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2orr s LEU 479 N 0.00 4.52 -0.23 7.52 1.43 -1.26 -5.08 118.68 125.59 2orr s LEU 479 Ca 0.00 1.38 -0.19 0.00 -1.03 0.00 0.00 54.13 54.29 2orr s LEU 479 Cb 0.00 -3.09 0.06 0.00 0.03 0.00 0.00 46.19 43.19 2orr s LEU 479 CO 0.00 0.23 0.60 -0.55 0.23 0.00 0.00 176.35 176.86 2orr s SER 480 N -1.20 -0.67 0.88 2.29 0.15 -1.26 -4.49 113.70 109.40 2orr s SER 480 Ca 0.33 1.23 -0.11 0.00 0.70 0.00 0.00 55.95 58.10 2orr s SER 480 Cb -0.20 1.21 0.12 0.00 -1.71 0.00 0.00 66.02 65.44 2orr s SER 480 CO 0.21 -0.21 1.11 -2.84 1.20 0.00 0.00 173.24 172.71 2orr s PRO 481 N 0.61 1.32 -0.12 5.44 0.02 -1.26 -5.01 135.00 136.00 2orr s PRO 481 Ca -0.02 1.30 -0.25 0.00 0.02 0.00 0.00 61.00 62.04 2orr s PRO 481 Cb -0.05 -1.78 0.06 0.00 0.02 0.00 0.00 34.50 32.75 2orr s PRO 481 CO -0.03 -2.34 0.62 0.12 -0.33 0.00 0.00 177.00 175.04 2orr s PHE 482 N -2.75 -0.62 -0.26 6.54 5.36 -0.79 -4.08 117.98 121.38 2orr s PHE 482 Ca 0.65 1.26 -0.16 0.00 -0.96 0.00 0.00 56.93 57.71 2orr s PHE 482 Cb -0.21 0.30 -0.03 0.00 -0.34 0.00 0.00 43.02 42.74 2orr s PHE 482 CO 0.58 -0.47 0.43 0.71 -1.46 0.00 0.00 175.22 175.00 2orr s TYR 483 N -0.59 3.26 0.11 10.12 2.02 -1.26 -1.05 117.35 129.96 2orr s TYR 483 Ca -0.07 0.51 0.03 0.00 -0.37 0.00 0.00 57.07 57.17 2orr s TYR 483 Cb -0.02 -2.62 -0.04 0.00 -0.40 0.00 0.00 41.96 38.87 2orr s TYR 483 CO 0.06 -0.24 0.13 0.71 -1.57 0.00 0.00 175.55 174.64 2orr s TYR 484 N 2.12 3.23 0.67 2.71 2.02 0.13 -4.90 117.35 123.31 2orr s TYR 484 Ca 0.18 0.06 -0.11 0.00 -0.37 0.00 0.00 57.07 56.83 2orr s TYR 484 Cb -0.16 -1.60 -0.01 0.00 -0.40 0.00 0.00 41.96 39.79 2orr s TYR 484 CO 0.09 0.53 1.06 0.71 -1.57 0.00 0.00 175.55 176.37 2orr s TYR 485 N -1.56 3.43 0.31 2.71 2.02 -0.09 -0.65 117.35 123.52 2orr s TYR 485 Ca 0.31 1.22 0.04 0.00 -0.37 0.00 0.00 57.07 58.26 2orr s TYR 485 Cb -0.11 -2.87 -0.06 0.00 -0.40 0.00 0.00 41.96 38.51 2orr s TYR 485 CO 0.24 -0.97 0.04 -0.65 -1.57 0.00 0.00 175.55 172.64 2orr s GLN 486 N -5.22 1.60 0.12 -0.62 -0.21 -1.26 -0.99 119.66 113.07 2orr s GLN 486 Ca 0.57 -1.87 -0.30 0.00 0.02 0.00 0.00 55.36 53.78 2orr s GLN 486 Cb -0.11 -0.85 -0.06 0.00 1.00 0.00 0.00 33.01 32.99 2orr s GLN 486 CO 0.53 -0.16 0.95 0.42 -2.12 0.00 0.00 175.29 174.91 2orr s ILE 487 N -3.30 4.47 -0.01 1.08 1.01 -1.26 -4.97 121.20 118.22 2orr s ILE 487 Ca 0.35 2.05 -0.36 0.00 0.00 0.00 0.00 60.65 62.68 2orr s ILE 487 Cb 0.08 -4.31 -0.15 0.00 0.01 0.00 0.00 42.46 38.09 2orr s ILE 487 CO 0.14 0.34 1.59 -0.62 0.00 0.00 0.00 174.94 176.40 2orr n GLU 488 N 2.64 1.61 0.26 2.79 1.02 -1.26 -4.83 120.64 122.87 2orr n GLU 488 Ca 0.02 0.58 0.11 0.00 -0.02 0.00 0.00 57.16 57.85 2orr n GLU 488 Cb 0.49 -2.31 0.69 0.00 -0.02 0.00 0.00 31.44 30.30 2orr n GLU 488 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2orr h PRO 489 N 6.38 0.00 0.00 3.49 0.13 -1.93 -0.86 132.00 139.21 2orr h PRO 489 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2orr h PRO 489 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2orr h PRO 489 CO 0.88 0.13 0.00 0.11 -0.23 0.00 0.00 178.00 178.88 2orr h TRP 490 N 0.00 0.00 0.00 1.56 0.09 -1.95 0.84 115.95 116.50 2orr h TRP 490 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 2orr h TRP 490 Cb 0.31 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.55 2orr h TRP 490 CO 0.00 0.00 -0.43 1.63 0.09 0.00 0.00 178.44 179.73 2orr n LYS 491 N -2.49 0.29 0.00 0.12 5.02 -0.33 -4.31 118.16 116.45 2orr n LYS 491 Ca 0.02 0.13 0.00 0.00 -2.02 0.00 0.00 58.31 56.44 2orr n LYS 491 Cb 0.28 -1.73 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 2orr n LYS 491 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 2orr n THR 492 N -2.17 0.00 -2.46 -0.18 -2.24 -0.94 -5.05 114.28 101.23 2orr n THR 492 Ca 0.04 -0.36 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2orr n THR 492 Cb 0.44 0.88 -0.03 0.00 -2.10 0.00 0.00 70.33 69.52 2orr n THR 492 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 2orr s HIS 493 N -1.14 3.51 -0.44 4.78 5.04 0.25 -5.00 115.29 122.28 2orr s HIS 493 Ca 0.00 1.46 -0.18 0.00 -1.54 0.00 0.00 55.06 54.80 2orr s HIS 493 Cb 0.00 -3.35 0.03 0.00 0.04 0.00 0.00 32.58 29.30 2orr s HIS 493 CO 0.00 -0.95 0.52 0.42 -2.34 0.00 0.00 174.74 172.39 2orr s ILE 494 N 0.33 5.00 0.24 0.89 1.01 -1.26 -5.00 121.20 122.40 2orr s ILE 494 Ca 0.54 -0.30 -0.30 0.00 0.00 0.00 0.00 60.65 60.59 2orr s ILE 494 Cb -0.30 -4.13 -0.09 0.00 0.01 0.00 0.00 42.46 37.95 2orr s ILE 494 CO 0.33 -0.54 1.33 0.26 0.00 0.00 0.00 174.94 176.32 2orr s TRP 495 N 2.36 3.17 -0.20 3.97 0.52 -1.26 -4.92 118.94 122.59 2orr s TRP 495 Ca 0.15 1.23 0.22 0.00 0.02 0.00 0.00 56.10 57.71 2orr s TRP 495 Cb -0.17 -3.66 -0.30 0.00 -1.15 0.00 0.00 33.47 28.19 2orr s TRP 495 CO 0.14 -2.01 0.57 0.00 0.02 0.00 0.00 176.95 175.67 2orr n GLN 496 N 2.17 0.55 0.00 4.98 10.64 -1.26 -5.13 117.38 129.32 2orr n GLN 496 Ca 0.05 -0.16 0.00 0.00 -1.83 0.00 0.00 57.00 55.06 2orr n GLN 496 Cb 0.42 -1.53 0.00 0.00 -0.86 0.00 0.00 30.24 28.27 2orr n GLN 496 CO 0.00 0.00 0.00 -1.71 -1.83 0.00 0.00 177.06 173.52