#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xnx n GLN 115 N 0.00 0.00 -3.45 3.23 7.27 -1.26 -5.11 117.38 118.06 1xnx n GLN 115 Ca 0.00 0.00 -0.37 0.00 0.07 0.00 0.00 57.00 56.70 1xnx n GLN 115 Cb 0.00 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 32.59 1xnx n GLN 115 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 1xnx s LEU 116 N 0.00 4.29 0.64 1.69 1.43 -1.26 -5.03 118.68 120.44 1xnx s LEU 116 Ca 0.00 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.79 1xnx s LEU 116 Cb 0.00 -2.53 0.08 0.00 0.03 0.00 0.00 46.19 43.77 1xnx s LEU 116 CO 0.00 0.09 0.89 0.54 0.23 0.00 0.00 176.35 178.11 1xnx s ASN 117 N 0.30 4.80 0.21 2.29 6.03 -1.26 -4.86 114.94 122.45 1xnx s ASN 117 Ca 0.21 -0.18 -0.09 0.00 -1.03 0.00 0.00 52.86 51.78 1xnx s ASN 117 Cb -0.14 -0.44 0.29 0.00 -3.03 0.00 0.00 41.25 37.93 1xnx s ASN 117 CO 0.08 -1.52 1.76 -0.61 -2.03 0.00 0.00 177.10 174.78 1xnx h GLN 118 N -0.25 0.47 -0.51 3.55 5.75 -1.99 -1.39 115.11 120.74 1xnx h GLN 118 Ca -0.39 -0.03 0.08 0.00 -0.15 0.00 0.00 58.65 58.16 1xnx h GLN 118 Cb 1.28 -0.11 -0.06 0.00 1.07 0.00 0.00 27.48 29.66 1xnx h GLN 118 CO 0.47 0.31 0.14 1.96 -2.65 0.00 0.00 178.83 179.06 1xnx h GLN 119 N 0.48 0.29 -0.31 1.69 7.50 -1.99 -0.63 115.11 122.14 1xnx h GLN 119 Ca 0.32 -0.02 -0.05 0.00 0.50 0.00 0.00 58.65 59.40 1xnx h GLN 119 Cb 0.36 -0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 1xnx h GLN 119 CO -0.28 0.19 0.01 1.96 -1.50 0.00 0.00 178.83 179.21 1xnx h GLN 120 N 0.30 0.53 -0.54 1.46 4.20 -1.75 -1.17 115.11 118.14 1xnx h GLN 120 Ca 0.25 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.78 1xnx h GLN 120 Cb 0.31 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1xnx h GLN 120 CO -0.29 0.67 0.26 0.87 -0.67 0.00 0.00 178.83 179.67 1xnx h LYS 121 N 0.33 0.75 -0.29 1.46 1.57 -0.99 -0.68 116.57 118.73 1xnx h LYS 121 Ca 0.09 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 1xnx h LYS 121 Cb 0.42 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.57 1xnx h LYS 121 CO 0.01 0.58 -0.32 0.93 -0.57 0.00 0.00 179.45 180.09 1xnx h GLU 122 N 0.75 0.61 -0.30 3.15 5.08 -0.87 -2.61 114.58 120.39 1xnx h GLU 122 Ca 0.19 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.23 1xnx h GLU 122 Cb 0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1xnx h GLU 122 CO -0.03 0.86 0.01 1.25 -1.00 0.00 0.00 179.01 180.11 1xnx h LEU 123 N 0.52 0.50 -0.49 1.33 5.85 -0.09 -1.75 115.31 121.19 1xnx h LEU 123 Ca 0.06 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1xnx h LEU 123 Cb 0.81 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 1xnx h LEU 123 CO 0.07 0.67 0.17 0.58 -0.34 0.00 0.00 178.44 179.59 1xnx h VAL 124 N 0.31 0.83 -0.64 1.05 2.07 -1.07 -0.28 116.25 118.53 1xnx h VAL 124 Ca 0.09 -0.12 0.02 0.00 0.82 0.00 0.00 66.70 67.51 1xnx h VAL 124 Cb 0.41 0.46 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 1xnx h VAL 124 CO 0.01 0.06 0.41 1.56 0.02 0.00 0.00 177.57 179.63 1xnx h GLN 125 N 0.34 0.79 -0.29 1.57 1.08 -1.26 0.11 115.11 117.46 1xnx h GLN 125 Ca 0.23 -0.05 0.01 0.00 -1.45 0.00 0.00 58.65 57.39 1xnx h GLN 125 Cb 0.25 -0.18 -0.02 0.00 -0.05 0.00 0.00 27.48 27.48 1xnx h GLN 125 CO -0.24 0.52 0.18 0.82 -0.95 0.00 0.00 178.83 179.16 1xnx h ILE 126 N 0.81 1.05 0.36 2.54 2.04 -0.46 0.23 117.51 124.08 1xnx h ILE 126 Ca 0.25 -0.13 -0.00 0.00 1.00 0.00 0.00 64.86 65.98 1xnx h ILE 126 Cb -0.03 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 36.68 1xnx h ILE 126 CO -0.08 0.07 -0.34 -0.07 0.00 0.00 0.00 178.15 177.73 1xnx h LEU 127 N 0.37 -0.91 -0.57 1.44 3.38 -0.46 -0.28 115.31 118.28 1xnx h LEU 127 Ca 0.11 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.27 1xnx h LEU 127 Cb -0.02 0.30 -0.09 0.00 0.09 0.00 0.00 40.66 40.94 1xnx h LEU 127 CO -0.04 -0.48 0.03 -0.07 0.09 0.00 0.00 178.44 177.97 1xnx h LEU 128 N -0.72 -0.19 -0.15 1.67 3.38 -0.51 0.13 115.31 118.92 1xnx h LEU 128 Ca -0.02 0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.12 1xnx h LEU 128 Cb 0.64 0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.58 1xnx h LEU 128 CO -0.05 -0.07 -0.09 1.23 0.09 0.00 0.00 178.44 179.54 1xnx h GLY 129 N 0.15 0.03 0.68 0.83 0.00 -0.09 0.12 103.07 104.78 1xnx h GLY 129 Ca 0.30 0.12 0.03 0.00 0.00 0.00 0.00 47.33 47.78 1xnx h GLY 129 CO -0.46 -0.11 -0.03 0.00 0.00 0.00 0.00 176.54 175.94 1xnx h ALA 130 N 1.03 0.13 -0.20 3.60 0.00 0.10 -2.36 119.26 121.56 1xnx h ALA 130 Ca 0.09 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.10 1xnx h ALA 130 Cb 0.23 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1xnx h ALA 130 CO -0.21 -0.46 -0.02 1.25 0.00 0.00 0.00 179.25 179.81 1xnx h HIS 131 N 0.02 -0.05 -0.63 0.00 6.17 -0.30 -2.96 115.15 117.40 1xnx h HIS 131 Ca 0.08 0.02 -0.00 0.00 0.71 0.00 0.00 60.37 61.18 1xnx h HIS 131 Cb 0.12 0.05 -0.03 0.00 2.52 0.00 0.00 27.41 30.07 1xnx h HIS 131 CO -0.19 -0.05 0.37 1.15 0.71 0.00 0.00 177.93 179.92 1xnx h THR 132 N 0.04 1.18 -0.08 6.26 2.02 -0.51 0.74 112.91 122.55 1xnx h THR 132 Ca 0.10 -0.41 -0.09 0.00 0.77 0.00 0.00 66.41 66.78 1xnx h THR 132 Cb 0.13 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.84 1xnx h THR 132 CO -0.18 0.19 -0.28 0.03 0.37 0.00 0.00 175.52 175.65 1xnx h ARG 133 N 0.87 0.34 0.00 6.66 3.08 -1.32 -3.36 114.38 120.65 1xnx h ARG 133 Ca 0.23 -0.25 -0.33 0.00 0.07 0.00 0.00 59.98 59.69 1xnx h ARG 133 Cb -0.02 0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.01 1xnx h ARG 133 CO -0.04 0.88 -2.25 0.72 -1.07 0.00 0.00 179.97 178.21 1xnx n HIS 134 N -4.45 0.00 -0.13 3.04 8.25 -1.13 -4.62 115.22 116.18 1xnx n HIS 134 Ca -0.08 0.00 -0.25 0.00 -0.26 0.00 0.00 57.72 57.13 1xnx n HIS 134 Cb 0.47 -0.89 -0.11 0.00 1.12 0.00 0.00 29.99 30.59 1xnx n HIS 134 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1xnx n VAL 135 N -2.76 1.53 -0.26 1.59 0.31 0.16 -4.12 118.33 114.77 1xnx n VAL 135 Ca -0.31 -0.44 0.06 0.00 -0.01 0.00 0.00 64.34 63.64 1xnx n VAL 135 Cb 1.06 -1.73 0.20 0.00 -0.91 0.00 0.00 33.84 32.46 1xnx n VAL 135 CO 0.00 0.00 0.00 1.23 -1.32 0.00 0.00 176.83 176.74 1xnx h GLY 136 N 0.14 1.14 2.00 2.92 0.00 -1.45 -0.05 103.07 107.78 1xnx h GLY 136 Ca -0.62 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.61 1xnx h GLY 136 CO -0.27 -0.16 0.00 -1.05 0.00 0.00 0.00 176.54 175.06 1xnx n PRO 137 N -5.07 0.20 -0.00 4.80 -0.02 -1.26 -4.34 135.00 129.30 1xnx n PRO 137 Ca 0.15 0.17 -0.04 0.00 -2.02 0.00 0.00 63.50 61.77 1xnx n PRO 137 Cb 0.46 -1.73 -0.02 0.00 -0.02 0.00 0.00 33.50 32.19 1xnx n PRO 137 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1xnx h LEU 138 N 0.00 -0.40 -1.85 2.45 6.46 -1.15 -3.07 115.31 117.75 1xnx h LEU 138 Ca 0.00 0.05 0.40 0.00 -0.12 0.00 0.00 57.88 58.21 1xnx h LEU 138 Cb 0.66 0.16 -0.07 0.00 -0.73 0.00 0.00 40.66 40.68 1xnx h LEU 138 CO 0.00 -0.11 0.96 -0.26 -0.62 0.00 0.00 178.44 178.41 1xnx h PHE 139 N -0.13 0.15 -0.01 1.25 -1.00 -1.76 0.13 116.94 115.56 1xnx h PHE 139 Ca 0.01 0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.79 1xnx h PHE 139 Cb 0.16 -0.04 0.00 0.00 3.61 0.00 0.00 35.95 39.68 1xnx h PHE 139 CO -0.48 -0.02 0.00 -0.25 -1.61 0.00 0.00 178.31 175.95 1xnx n ASP 140 N -4.24 0.14 -0.28 2.17 9.92 -1.16 -3.35 116.55 119.75 1xnx n ASP 140 Ca 0.31 -1.38 0.09 0.00 -0.53 0.00 0.00 54.79 53.28 1xnx n ASP 140 Cb 1.40 -0.01 -0.03 0.00 -0.64 0.00 0.00 41.12 41.84 1xnx n ASP 140 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1xnx n GLN 141 N -0.73 1.49 -0.32 -1.24 1.13 0.45 -4.52 117.38 113.64 1xnx n GLN 141 Ca 0.16 -0.60 0.07 0.00 -1.94 0.00 0.00 57.00 54.69 1xnx n GLN 141 Cb 0.09 -1.33 0.27 0.00 0.11 0.00 0.00 30.24 29.39 1xnx n GLN 141 CO 0.00 0.00 0.00 0.74 -1.44 0.00 0.00 177.06 176.36 1xnx h PHE 142 N 1.37 1.03 -0.02 1.08 0.05 -1.68 -1.23 116.94 117.54 1xnx h PHE 142 Ca 0.00 0.03 0.01 0.00 3.82 0.00 0.00 57.97 61.83 1xnx h PHE 142 Cb 0.55 -0.33 -0.00 0.00 2.00 0.00 0.00 35.95 38.16 1xnx h PHE 142 CO 0.00 0.46 0.15 -0.24 -0.18 0.00 0.00 178.31 178.49 1xnx h VAL 143 N 0.94 0.07 0.00 -0.55 3.04 -1.85 0.87 116.25 118.77 1xnx h VAL 143 Ca 0.44 0.00 -0.02 0.00 -1.01 0.00 0.00 66.70 66.11 1xnx h VAL 143 Cb 0.43 0.86 -0.00 0.00 -2.01 0.00 0.00 31.29 30.56 1xnx h VAL 143 CO -0.20 0.00 -0.10 1.56 -1.01 0.00 0.00 177.57 177.81 1xnx h GLN 144 N 0.00 0.00 -2.28 4.17 1.08 -1.55 -3.34 115.11 113.20 1xnx h GLN 144 Ca 0.01 0.00 -0.71 0.00 -1.45 0.00 0.00 58.65 56.50 1xnx h GLN 144 Cb 0.30 0.00 -0.20 0.00 -0.05 0.00 0.00 27.48 27.54 1xnx h GLN 144 CO -0.00 0.10 1.37 1.19 -0.95 0.00 0.00 178.83 180.54 1xnx n PHE 145 N -3.26 2.47 -3.99 2.96 3.01 0.30 -4.90 117.46 114.06 1xnx n PHE 145 Ca 0.00 -2.47 -0.38 0.00 1.01 0.00 0.00 57.45 55.62 1xnx n PHE 145 Cb 0.35 -1.46 0.02 0.00 -0.01 0.00 0.00 39.48 38.38 1xnx n PHE 145 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 1xnx n LYS 146 N 0.68 -0.42 -2.42 -1.08 5.02 -1.25 -4.75 118.16 113.94 1xnx n LYS 146 Ca 0.54 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 56.42 1xnx n LYS 146 Cb 0.32 -1.82 -0.04 0.00 -0.02 0.00 0.00 35.03 33.47 1xnx n LYS 146 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1xnx s PRO 147 N -6.85 4.57 0.37 1.97 0.04 -1.26 -4.86 135.00 128.97 1xnx s PRO 147 Ca 0.38 1.85 -0.28 0.00 0.04 0.00 0.00 61.00 62.98 1xnx s PRO 147 Cb -0.21 -3.21 -0.11 0.00 0.04 0.00 0.00 34.50 31.02 1xnx s PRO 147 CO 0.80 0.08 1.44 -2.14 0.04 0.00 0.00 177.00 177.22 1xnx s PRO 148 N -0.99 4.16 0.34 0.56 0.02 -1.26 -4.89 135.00 132.94 1xnx s PRO 148 Ca 0.48 2.49 0.13 0.00 0.02 0.00 0.00 61.00 64.12 1xnx s PRO 148 Cb -0.32 -2.98 1.10 0.00 0.02 0.00 0.00 34.50 32.31 1xnx s PRO 148 CO 0.40 -0.46 1.60 0.00 -0.33 0.00 0.00 177.00 178.21 1xnx h ALA 149 N 3.07 1.80 0.00 -1.55 0.00 -2.00 0.26 119.26 120.83 1xnx h ALA 149 Ca -0.50 0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.68 1xnx h ALA 149 Cb 1.24 0.37 0.00 0.00 0.00 0.00 0.00 17.79 19.40 1xnx h ALA 149 CO 0.64 -0.76 0.00 0.10 0.00 0.00 0.00 179.25 179.24 1xnx h TYR 150 N 0.07 0.00 0.00 0.00 -0.00 -1.93 -1.78 116.97 113.33 1xnx h TYR 150 Ca 0.74 0.00 -0.01 0.00 0.00 0.00 0.00 58.73 59.46 1xnx h TYR 150 Cb 1.80 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 38.53 1xnx h TYR 150 CO -0.16 0.00 -0.04 -0.07 -0.00 0.00 0.00 178.16 177.89 1xnx h LEU 151 N 0.00 0.00 -0.01 0.10 4.07 -1.26 -1.67 115.31 116.55 1xnx h LEU 151 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1xnx h LEU 151 Cb 0.28 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.02 1xnx h LEU 151 CO 0.00 0.04 0.00 0.49 -1.08 0.00 0.00 178.44 177.89 1xnx n PHE 152 N -3.31 0.19 -3.70 1.13 3.01 -0.67 -0.35 117.46 113.76 1xnx n PHE 152 Ca -0.02 0.06 -0.36 0.00 1.01 0.00 0.00 57.45 58.14 1xnx n PHE 152 Cb 0.19 -0.59 -0.07 0.00 -0.01 0.00 0.00 39.48 39.00 1xnx n PHE 152 CO 0.00 0.00 0.00 -1.64 1.01 0.00 0.00 176.76 176.13 1xnx s MET 153 N -3.02 3.95 -0.01 -1.08 -1.94 -0.63 -4.79 119.30 111.77 1xnx s MET 153 Ca 0.13 -0.04 0.14 0.00 -1.71 0.00 0.00 55.69 54.21 1xnx s MET 153 Cb 0.17 -3.33 -0.20 0.00 2.01 0.00 0.00 34.83 33.48 1xnx s MET 153 CO 0.53 0.47 0.70 -2.39 -0.01 0.00 0.00 175.02 174.32 1xnx n HIS 154 N 2.87 0.97 -3.89 -0.03 1.44 -1.26 -4.68 115.22 110.64 1xnx n HIS 154 Ca -0.16 0.34 -0.35 0.00 -2.01 0.00 0.00 57.72 55.54 1xnx n HIS 154 Cb 0.53 -1.15 -0.13 0.00 0.12 0.00 0.00 29.99 29.36 1xnx n HIS 154 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1xnx s HIS 155 N -2.71 3.30 -0.40 -1.40 5.65 -1.26 -4.97 115.29 113.50 1xnx s HIS 155 Ca -0.04 -1.91 0.10 0.00 0.25 0.00 0.00 55.06 53.46 1xnx s HIS 155 Cb 0.08 -2.23 0.37 0.00 -1.18 0.00 0.00 32.58 29.63 1xnx s HIS 155 CO 0.82 -0.82 1.08 2.89 -0.65 0.00 0.00 174.74 178.07 1xnx n ARG 156 N 4.62 1.08 -0.32 2.88 1.85 -1.26 -5.01 116.66 120.51 1xnx n ARG 156 Ca -0.12 -2.43 0.16 0.00 -1.00 0.00 0.00 57.85 54.46 1xnx n ARG 156 Cb 0.43 -0.92 0.40 0.00 -1.05 0.00 0.00 32.46 31.33 1xnx n ARG 156 CO 0.00 0.00 0.00 -1.00 -0.01 0.00 0.00 177.63 176.62 1xnx h PRO 157 N 2.71 0.59 -0.10 2.89 0.13 -2.00 -2.89 132.00 133.32 1xnx h PRO 157 Ca -0.11 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 1xnx h PRO 157 Cb 1.15 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.14 1xnx h PRO 157 CO 0.21 0.39 0.00 1.19 -0.23 0.00 0.00 178.00 179.56 1xnx n PHE 158 N -4.69 0.12 -2.12 1.56 3.01 -1.26 -5.03 117.46 109.06 1xnx n PHE 158 Ca 0.23 -0.25 -0.42 0.00 1.01 0.00 0.00 57.45 58.02 1xnx n PHE 158 Cb 0.67 -0.02 -0.03 0.00 -0.01 0.00 0.00 39.48 40.09 1xnx n PHE 158 CO 0.00 0.00 0.00 -1.14 1.01 0.00 0.00 176.76 176.63 1xnx s GLN 159 N -0.75 4.32 0.65 -1.08 2.00 -1.09 -5.02 119.66 118.69 1xnx s GLN 159 Ca 0.10 2.16 -0.10 0.00 -2.00 0.00 0.00 55.36 55.52 1xnx s GLN 159 Cb 0.06 -3.18 -0.00 0.00 0.80 0.00 0.00 33.01 30.68 1xnx s GLN 159 CO 0.08 -0.38 1.02 -1.25 -0.50 0.00 0.00 175.29 174.26 1xnx s PRO 160 N 0.27 3.10 -0.00 1.67 0.04 -1.26 -5.02 135.00 133.79 1xnx s PRO 160 Ca 0.61 0.43 0.03 0.00 0.04 0.00 0.00 61.00 62.11 1xnx s PRO 160 Cb -0.39 -2.10 -0.04 0.00 0.04 0.00 0.00 34.50 32.01 1xnx s PRO 160 CO 0.37 -0.80 0.09 0.54 0.04 0.00 0.00 177.00 177.24 1xnx n ARG 161 N -2.82 3.04 0.00 4.56 1.74 -1.26 -4.97 116.66 116.95 1xnx n ARG 161 Ca 0.06 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.12 1xnx n ARG 161 Cb 0.56 -0.86 0.00 0.00 -1.02 0.00 0.00 32.46 31.15 1xnx n ARG 161 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1xnx n GLY 162 N 1.71 2.66 3.58 -0.13 0.00 -1.26 -4.79 105.19 106.96 1xnx n GLY 162 Ca -0.00 -0.35 -0.47 0.00 0.00 0.00 0.00 46.02 45.20 1xnx n GLY 162 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xnx n PRO 163 N 13.84 1.25 0.02 1.61 -0.04 -1.26 -4.97 135.00 145.45 1xnx n PRO 163 Ca 0.00 0.44 -0.20 0.00 -0.04 0.00 0.00 63.50 63.70 1xnx n PRO 163 Cb 0.00 -1.89 -0.14 0.00 -0.04 0.00 0.00 33.50 31.43 1xnx n PRO 163 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1xnx h VAL 164 N 2.41 1.30 -0.47 0.52 2.07 -1.89 -3.39 116.25 116.79 1xnx h VAL 164 Ca -0.42 -2.46 0.04 0.00 0.82 0.00 0.00 66.70 64.69 1xnx h VAL 164 Cb 1.34 2.96 -0.06 0.00 -1.52 0.00 0.00 31.29 34.02 1xnx h VAL 164 CO 0.67 0.69 -0.28 -0.11 0.02 0.00 0.00 177.57 178.56 1xnx n LEU 165 N -4.07 -0.50 -0.12 2.57 0.00 -1.26 0.40 117.00 114.02 1xnx n LEU 165 Ca -0.19 1.14 -0.05 0.00 0.00 0.00 0.00 56.01 56.91 1xnx n LEU 165 Cb 0.83 -0.26 0.02 0.00 0.00 0.00 0.00 43.42 44.02 1xnx n LEU 165 CO 0.43 -0.83 0.83 1.55 0.00 0.00 0.00 177.39 179.37 1xnx h PRO 166 N 0.00 0.07 -0.31 1.96 0.13 -1.98 0.33 132.00 132.21 1xnx h PRO 166 Ca 0.07 -0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.22 1xnx h PRO 166 Cb 0.19 -0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.28 1xnx h PRO 166 CO -0.44 0.05 0.14 1.25 -0.23 0.00 0.00 178.00 178.77 1xnx h LEU 167 N 0.07 0.20 0.26 1.56 5.85 -1.11 -1.56 115.31 120.58 1xnx h LEU 167 Ca 0.20 0.02 -0.00 0.00 0.84 0.00 0.00 57.88 58.93 1xnx h LEU 167 Cb 0.29 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 1xnx h LEU 167 CO -0.35 0.15 -0.22 0.25 -0.34 0.00 0.00 178.44 177.93 1xnx h LEU 168 N 0.30 -0.58 -1.08 2.25 5.85 0.76 -2.07 115.31 120.74 1xnx h LEU 168 Ca 0.13 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1xnx h LEU 168 Cb 0.06 0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1xnx h LEU 168 CO -0.10 -0.33 0.00 0.71 -0.34 0.00 0.00 178.44 178.38 1xnx h THR 169 N -0.50 0.00 -0.02 1.05 1.35 -0.20 -1.49 112.91 113.11 1xnx h THR 169 Ca -0.01 -0.15 -0.05 0.00 -0.55 0.00 0.00 66.41 65.65 1xnx h THR 169 Cb 0.45 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.67 1xnx h THR 169 CO -0.02 0.00 -0.17 -0.74 -0.25 0.00 0.00 175.52 174.34 1xnx h HIS 170 N 0.00 0.21 -0.41 4.73 -0.00 -0.61 0.71 115.15 119.78 1xnx h HIS 170 Ca 0.00 -0.10 -0.01 0.00 -0.00 0.00 0.00 60.37 60.26 1xnx h HIS 170 Cb 0.22 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.58 1xnx h HIS 170 CO 0.00 0.83 0.22 0.74 -0.00 0.00 0.00 177.93 179.72 1xnx h PHE 171 N -0.47 0.54 -0.12 5.26 0.04 -0.87 0.13 116.94 121.45 1xnx h PHE 171 Ca -0.01 -0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.74 1xnx h PHE 171 Cb 0.86 -0.18 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 1xnx h PHE 171 CO 0.16 0.38 0.04 0.00 -0.60 0.00 0.00 178.31 178.29 1xnx h ALA 172 N 1.68 0.16 0.45 2.45 0.00 -1.16 -1.93 119.26 120.91 1xnx h ALA 172 Ca 0.15 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 1xnx h ALA 172 Cb 0.02 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1xnx h ALA 172 CO -0.02 -0.22 -0.39 -0.44 0.00 0.00 0.00 179.25 178.18 1xnx h ASP 173 N 0.01 -1.03 0.25 0.00 3.32 0.12 -2.35 116.42 116.74 1xnx h ASP 173 Ca 0.04 0.08 -0.03 0.00 0.02 0.00 0.00 57.03 57.14 1xnx h ASP 173 Cb 0.22 0.34 -0.00 0.00 0.22 0.00 0.00 39.33 40.10 1xnx h ASP 173 CO -0.00 -0.55 -0.13 0.16 -1.72 0.00 0.00 179.24 177.00 1xnx h ILE 174 N -0.83 0.76 -0.18 0.35 3.07 -0.87 -1.73 117.51 118.08 1xnx h ILE 174 Ca -0.04 -0.49 -0.20 0.00 1.55 0.00 0.00 64.86 65.68 1xnx h ILE 174 Cb 0.73 1.29 0.00 0.00 -0.27 0.00 0.00 36.82 38.57 1xnx h ILE 174 CO -0.03 0.12 -0.68 -1.13 -1.05 0.00 0.00 178.15 175.38 1xnx h ASN 175 N 0.00 0.81 -0.27 2.16 -0.73 -1.11 -1.30 115.58 115.14 1xnx h ASN 175 Ca -0.00 -0.50 -0.17 0.00 1.87 0.00 0.00 56.30 57.50 1xnx h ASN 175 Cb 0.28 -0.24 -0.00 0.00 0.27 0.00 0.00 38.32 38.63 1xnx h ASN 175 CO 0.02 1.27 -0.49 0.74 -0.37 0.00 0.00 177.43 178.59 1xnx h THR 176 N 0.50 1.28 -0.61 -3.57 2.02 -0.96 -2.35 112.91 109.22 1xnx h THR 176 Ca -0.02 -1.68 -0.07 0.00 0.77 0.00 0.00 66.41 65.40 1xnx h THR 176 Cb 1.28 1.56 -0.02 0.00 -1.74 0.00 0.00 68.15 69.23 1xnx h THR 176 CO 0.14 0.55 0.09 0.15 0.37 0.00 0.00 175.52 176.82 1xnx h PHE 177 N 0.67 1.08 -0.56 3.16 -0.00 -1.28 -0.87 116.94 119.13 1xnx h PHE 177 Ca 0.03 -0.15 -0.11 0.00 -0.00 0.00 0.00 57.97 57.74 1xnx h PHE 177 Cb 1.09 -0.29 -0.02 0.00 -0.00 0.00 0.00 35.95 36.73 1xnx h PHE 177 CO 0.07 0.93 -0.07 0.52 -0.00 0.00 0.00 178.31 179.75 1xnx h MET 178 N 0.92 1.03 -0.10 1.11 2.86 -1.21 -1.66 114.93 117.88 1xnx h MET 178 Ca 0.18 -0.36 -0.08 0.00 -2.06 0.00 0.00 59.70 57.38 1xnx h MET 178 Cb 0.43 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1xnx h MET 178 CO 0.01 1.05 -0.31 0.28 1.06 0.00 0.00 176.91 179.01 1xnx h VAL 179 N 0.93 1.26 0.49 -2.22 2.07 -1.18 -0.23 116.25 117.37 1xnx h VAL 179 Ca 0.15 -1.22 -0.02 0.00 0.82 0.00 0.00 66.70 66.43 1xnx h VAL 179 Cb 0.63 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 1xnx h VAL 179 CO 0.04 0.36 -0.23 -0.61 0.02 0.00 0.00 177.57 177.15 1xnx h GLN 180 N 0.17 -0.63 -0.70 1.57 4.15 -0.84 -2.00 115.11 116.83 1xnx h GLN 180 Ca 0.02 0.04 0.12 0.00 0.77 0.00 0.00 58.65 59.60 1xnx h GLN 180 Cb 0.63 0.14 -0.08 0.00 0.21 0.00 0.00 27.48 28.38 1xnx h GLN 180 CO 0.05 -0.34 0.28 1.96 -1.93 0.00 0.00 178.83 178.85 1xnx h GLN 181 N -1.05 0.44 -0.68 1.69 1.08 -1.23 0.12 115.11 115.47 1xnx h GLN 181 Ca -0.07 -0.03 0.05 0.00 -1.45 0.00 0.00 58.65 57.16 1xnx h GLN 181 Cb 0.59 -0.10 -0.05 0.00 -0.05 0.00 0.00 27.48 27.86 1xnx h GLN 181 CO 0.11 0.29 0.39 0.82 -0.95 0.00 0.00 178.83 179.50 1xnx h ILE 182 N 0.46 1.00 -0.32 2.54 2.04 -1.03 0.25 117.51 122.44 1xnx h ILE 182 Ca 0.37 -0.25 0.05 0.00 1.00 0.00 0.00 64.86 66.02 1xnx h ILE 182 Cb 0.50 0.20 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 1xnx h ILE 182 CO -0.35 0.13 0.06 0.40 0.00 0.00 0.00 178.15 178.39 1xnx h ILE 183 N 0.74 0.83 -0.28 -0.67 2.04 -0.22 -0.38 117.51 119.57 1xnx h ILE 183 Ca 0.30 -0.06 0.06 0.00 1.00 0.00 0.00 64.86 66.16 1xnx h ILE 183 Cb 0.15 0.65 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 1xnx h ILE 183 CO -0.16 0.03 -0.11 0.11 0.00 0.00 0.00 178.15 178.02 1xnx h LYS 184 N 0.17 -0.06 -0.71 2.37 1.57 -0.24 0.68 116.57 120.35 1xnx h LYS 184 Ca 0.15 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 59.02 1xnx h LYS 184 Cb 0.17 0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.39 1xnx h LYS 184 CO -0.21 -0.04 -0.52 0.35 -0.57 0.00 0.00 179.45 178.47 1xnx h PHE 185 N -0.06 -1.59 0.02 -1.35 3.57 0.11 -0.36 116.94 117.28 1xnx h PHE 185 Ca 0.14 0.10 0.01 0.00 3.53 0.00 0.00 57.97 61.75 1xnx h PHE 185 Cb 0.27 0.79 -0.01 0.00 2.79 0.00 0.00 35.95 39.80 1xnx h PHE 185 CO -0.30 -0.42 -0.04 1.79 -2.23 0.00 0.00 178.31 177.10 1xnx h THR 186 N -0.18 0.89 -0.50 4.41 1.35 -0.58 -2.39 112.91 115.91 1xnx h THR 186 Ca 0.16 0.00 0.14 0.00 -0.55 0.00 0.00 66.41 66.16 1xnx h THR 186 Cb 0.53 0.89 -0.02 0.00 -1.73 0.00 0.00 68.15 67.82 1xnx h THR 186 CO -0.78 0.00 0.74 0.11 -0.25 0.00 0.00 175.52 175.34 1xnx h LYS 187 N -0.09 0.00 -0.24 4.72 1.79 0.77 0.62 116.57 124.14 1xnx h LYS 187 Ca 0.01 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.48 1xnx h LYS 187 Cb 0.10 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.75 1xnx h LYS 187 CO -0.03 0.00 0.00 -0.25 -1.08 0.00 0.00 179.45 178.09 1xnx n ASP 188 N -3.29 1.42 -4.25 0.86 9.92 -0.64 -4.73 116.55 115.85 1xnx n ASP 188 Ca 0.10 -1.91 -0.38 0.00 -0.53 0.00 0.00 54.79 52.07 1xnx n ASP 188 Cb 0.92 -0.16 -0.12 0.00 -0.64 0.00 0.00 41.12 41.12 1xnx n ASP 188 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1xnx s LEU 189 N -1.13 4.61 0.40 0.64 1.43 0.22 -4.89 118.68 119.95 1xnx s LEU 189 Ca 0.21 -1.35 0.15 0.00 -1.03 0.00 0.00 54.13 52.12 1xnx s LEU 189 Cb 0.11 -1.88 1.01 0.00 0.03 0.00 0.00 46.19 45.46 1xnx s LEU 189 CO 0.15 -0.40 1.85 1.55 0.23 0.00 0.00 176.35 179.73 1xnx h PRO 190 N 8.23 0.47 -0.69 1.29 0.13 -1.85 0.16 132.00 139.75 1xnx h PRO 190 Ca -0.22 -0.03 0.01 0.00 -0.87 0.00 0.00 66.00 64.89 1xnx h PRO 190 Cb 1.08 -0.11 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1xnx h PRO 190 CO 0.65 0.31 0.46 1.25 -0.23 0.00 0.00 178.00 180.44 1xnx h LEU 191 N 0.49 0.79 -0.32 1.56 5.85 -1.94 -0.46 115.31 121.28 1xnx h LEU 191 Ca 0.48 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.08 1xnx h LEU 191 Cb 1.09 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.91 1xnx h LEU 191 CO -0.21 0.58 -0.20 0.15 -0.34 0.00 0.00 178.44 178.42 1xnx h PHE 192 N 0.94 0.81 -0.30 1.25 3.57 -1.05 -2.95 116.94 119.22 1xnx h PHE 192 Ca 0.25 -0.21 0.01 0.00 3.53 0.00 0.00 57.97 61.54 1xnx h PHE 192 Cb -0.11 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 38.44 1xnx h PHE 192 CO -0.03 0.93 0.20 0.00 -2.23 0.00 0.00 178.31 177.18 1xnx h ARG 193 N 0.46 0.38 0.00 1.11 3.08 -0.83 -1.73 114.38 116.84 1xnx h ARG 193 Ca 0.07 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.09 1xnx h ARG 193 Cb 0.74 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.71 1xnx h ARG 193 CO 0.06 0.25 0.00 0.43 -1.07 0.00 0.00 179.97 179.63 1xnx n SER 194 N -4.49 0.00 -4.87 7.04 7.64 -0.21 -4.69 113.62 114.03 1xnx n SER 194 Ca 0.02 0.33 -0.22 0.00 1.01 0.00 0.00 58.87 60.01 1xnx n SER 194 Cb 0.08 -0.35 0.06 0.00 -1.01 0.00 0.00 64.21 62.99 1xnx n SER 194 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xnx s LEU 195 N -2.70 3.15 0.35 -3.43 1.43 -0.65 -5.08 118.68 111.75 1xnx s LEU 195 Ca 0.02 -0.17 -0.22 0.00 -1.03 0.00 0.00 54.13 52.72 1xnx s LEU 195 Cb 0.01 -2.49 -0.10 0.00 0.03 0.00 0.00 46.19 43.64 1xnx s LEU 195 CO 0.03 -1.42 0.90 0.42 0.23 0.00 0.00 176.35 176.51 1xnx s THR 196 N -2.90 4.38 0.15 5.49 -4.23 -1.26 -4.90 115.64 112.37 1xnx s THR 196 Ca 0.61 1.52 -0.31 0.00 -1.18 0.00 0.00 61.69 62.33 1xnx s THR 196 Cb -0.08 -3.78 -0.08 0.00 1.34 0.00 0.00 72.50 69.89 1xnx s THR 196 CO 0.41 -0.08 1.54 -0.03 -0.54 0.00 0.00 174.62 175.92 1xnx h MET 197 N 2.58 -0.12 -0.43 3.99 4.05 -1.97 -0.65 114.93 122.39 1xnx h MET 197 Ca -0.48 0.01 0.07 0.00 -0.28 0.00 0.00 59.70 59.02 1xnx h MET 197 Cb 1.18 0.03 -0.09 0.00 -0.80 0.00 0.00 31.60 31.92 1xnx h MET 197 CO 0.63 -0.08 -0.41 0.93 0.23 0.00 0.00 176.91 178.21 1xnx h GLU 198 N -0.13 -0.29 -0.78 0.39 4.39 -1.97 -0.69 114.58 115.51 1xnx h GLU 198 Ca 0.13 0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.97 1xnx h GLU 198 Cb 0.47 0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1xnx h GLU 198 CO -0.82 -0.19 0.51 -0.44 -1.16 0.00 0.00 179.01 176.90 1xnx h ASP 199 N -0.30 0.56 0.49 1.42 3.45 -1.50 0.30 116.42 120.83 1xnx h ASP 199 Ca 0.15 0.02 -0.02 0.00 0.43 0.00 0.00 57.03 57.61 1xnx h ASP 199 Cb 0.58 -0.09 0.00 0.00 -0.56 0.00 0.00 39.33 39.26 1xnx h ASP 199 CO -0.59 0.31 -0.23 1.56 -1.57 0.00 0.00 179.24 178.72 1xnx h GLN 200 N 0.61 -0.63 -0.91 3.56 4.20 0.26 0.18 115.11 122.37 1xnx h GLN 200 Ca 0.37 0.04 0.24 0.00 0.06 0.00 0.00 58.65 59.36 1xnx h GLN 200 Cb 0.60 0.14 -0.06 0.00 0.30 0.00 0.00 27.48 28.47 1xnx h GLN 200 CO -0.14 -0.33 0.63 0.82 -0.67 0.00 0.00 178.83 179.14 1xnx h ILE 201 N -1.01 0.60 0.04 2.54 2.04 -0.76 0.15 117.51 121.12 1xnx h ILE 201 Ca -0.07 -0.07 -0.25 0.00 1.00 0.00 0.00 64.86 65.47 1xnx h ILE 201 Cb 0.59 0.37 0.01 0.00 -0.74 0.00 0.00 36.82 37.05 1xnx h ILE 201 CO 0.11 0.04 -1.05 0.28 0.00 0.00 0.00 178.15 177.53 1xnx h SER 202 N 0.22 0.59 -0.10 1.72 0.02 -0.67 -1.11 113.55 114.21 1xnx h SER 202 Ca 0.46 -0.51 -0.11 0.00 -0.84 0.00 0.00 61.79 60.79 1xnx h SER 202 Cb 1.46 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 63.82 1xnx h SER 202 CO -0.11 1.33 -0.36 -0.07 -1.14 0.00 0.00 176.83 176.48 1xnx h LEU 203 N 0.22 0.49 -0.03 5.07 3.38 0.18 -2.93 115.31 121.68 1xnx h LEU 203 Ca -0.11 -0.62 -0.00 0.00 0.09 0.00 0.00 57.88 57.24 1xnx h LEU 203 Cb 1.71 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.31 1xnx h LEU 203 CO 0.18 1.02 0.01 -0.07 0.09 0.00 0.00 178.44 179.68 1xnx h LEU 204 N -0.02 0.05 -1.54 1.67 3.38 -0.91 0.16 115.31 118.10 1xnx h LEU 204 Ca -0.02 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.76 1xnx h LEU 204 Cb 0.99 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1xnx h LEU 204 CO 0.08 0.23 0.40 0.50 0.09 0.00 0.00 178.44 179.73 1xnx h LYS 205 N -0.13 0.00 0.00 1.13 3.64 -1.25 -0.70 116.57 119.27 1xnx h LYS 205 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1xnx h LYS 205 Cb 0.19 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1xnx h LYS 205 CO -0.00 0.00 -1.32 0.41 -2.27 0.00 0.00 179.45 176.27 1xnx n GLY 206 N -1.26 -0.33 0.15 5.01 0.00 -0.78 -4.72 105.19 103.26 1xnx n GLY 206 Ca -0.02 -0.18 0.06 0.00 0.00 0.00 0.00 46.02 45.88 1xnx n GLY 206 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xnx n ALA 207 N -1.75 3.23 -0.24 4.61 0.00 0.48 -4.65 120.51 122.18 1xnx n ALA 207 Ca -0.01 -0.41 -0.00 0.00 0.00 0.00 0.00 53.44 53.02 1xnx n ALA 207 Cb 0.20 -0.43 0.12 0.00 0.00 0.00 0.00 19.45 19.34 1xnx n ALA 207 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1xnx h ALA 208 N 1.91 0.94 -0.39 0.00 0.00 -1.39 0.76 119.26 121.09 1xnx h ALA 208 Ca 0.00 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.84 1xnx h ALA 208 Cb 0.35 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1xnx h ALA 208 CO 0.00 0.02 -0.17 0.28 0.00 0.00 0.00 179.25 179.38 1xnx h VAL 209 N 0.66 1.26 -0.36 0.00 2.07 -1.85 -0.73 116.25 117.31 1xnx h VAL 209 Ca 0.32 -1.24 -0.14 0.00 0.82 0.00 0.00 66.70 66.47 1xnx h VAL 209 Cb 0.26 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 1xnx h VAL 209 CO -0.22 0.41 -0.31 -0.33 0.02 0.00 0.00 177.57 177.15 1xnx h GLU 210 N 0.66 0.85 -0.31 1.57 5.08 -1.69 -2.36 114.58 118.37 1xnx h GLU 210 Ca 0.10 -0.43 -0.11 0.00 -1.00 0.00 0.00 59.36 57.92 1xnx h GLU 210 Cb 0.65 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 1xnx h GLU 210 CO 0.05 1.07 -0.27 0.82 -1.00 0.00 0.00 179.01 179.68 1xnx h ILE 211 N 0.64 1.27 0.39 3.13 2.04 -0.71 -2.25 117.51 122.03 1xnx h ILE 211 Ca 0.06 -1.35 -0.00 0.00 1.00 0.00 0.00 64.86 64.57 1xnx h ILE 211 Cb 0.89 1.33 -0.03 0.00 -0.74 0.00 0.00 36.82 38.27 1xnx h ILE 211 CO 0.08 0.44 -0.43 0.25 0.00 0.00 0.00 178.15 178.49 1xnx h LEU 212 N 0.54 -1.18 -1.56 1.44 6.46 -0.93 0.40 115.31 120.47 1xnx h LEU 212 Ca 0.07 0.10 -0.05 0.00 -0.12 0.00 0.00 57.88 57.89 1xnx h LEU 212 Cb 0.74 0.40 -0.01 0.00 -0.73 0.00 0.00 40.66 41.06 1xnx h LEU 212 CO 0.06 -0.57 -0.23 0.45 -0.62 0.00 0.00 178.44 177.53 1xnx h HIS 213 N -0.85 0.00 -0.30 1.25 3.86 -1.44 0.37 115.15 118.04 1xnx h HIS 213 Ca -0.03 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.99 1xnx h HIS 213 Cb 0.76 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 29.23 1xnx h HIS 213 CO -0.25 0.23 -0.52 0.82 0.86 0.00 0.00 177.93 179.07 1xnx h ILE 214 N 0.00 1.27 -0.10 2.45 2.04 -0.86 -1.75 117.51 120.56 1xnx h ILE 214 Ca -0.00 -1.70 -0.21 0.00 1.00 0.00 0.00 64.86 63.95 1xnx h ILE 214 Cb 0.49 1.59 0.01 0.00 -0.74 0.00 0.00 36.82 38.17 1xnx h ILE 214 CO 0.03 0.56 -0.74 0.28 0.00 0.00 0.00 178.15 178.27 1xnx h SER 215 N 0.68 0.83 -0.04 1.72 0.02 0.27 -3.25 113.55 113.79 1xnx h SER 215 Ca 0.02 -0.66 -0.04 0.00 -0.84 0.00 0.00 61.79 60.27 1xnx h SER 215 Cb 1.13 -0.25 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 1xnx h SER 215 CO 0.12 1.36 -0.07 0.25 -1.14 0.00 0.00 176.83 177.35 1xnx h LEU 216 N 0.36 0.25 -1.33 5.07 6.46 -0.26 -1.92 115.31 123.94 1xnx h LEU 216 Ca -0.06 -0.04 0.00 0.00 -0.12 0.00 0.00 57.88 57.65 1xnx h LEU 216 Cb 1.39 -0.06 0.00 0.00 -0.73 0.00 0.00 40.66 41.26 1xnx h LEU 216 CO 0.15 0.36 0.08 -3.20 -0.62 0.00 0.00 178.44 175.21 1xnx n ASN 217 N -4.32 0.52 0.28 1.25 5.15 -0.66 -0.85 115.26 116.63 1xnx n ASN 217 Ca -0.00 0.72 0.17 0.00 -0.60 0.00 0.00 54.58 54.86 1xnx n ASN 217 Cb 0.23 -0.76 0.78 0.00 -0.53 0.00 0.00 39.78 39.50 1xnx n ASN 217 CO 0.00 0.00 0.00 0.74 1.40 0.00 0.00 177.26 179.40 1xnx h THR 218 N 0.00 0.17 -0.18 -0.44 2.02 -1.51 -2.30 112.91 110.68 1xnx h THR 218 Ca 0.00 -0.48 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1xnx h THR 218 Cb 0.16 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.98 1xnx h THR 218 CO 0.00 0.05 0.00 0.35 0.37 0.00 0.00 175.52 176.29 1xnx n THR 219 N -3.23 0.45 -2.75 3.16 -2.24 -0.03 -5.00 114.28 104.63 1xnx n THR 219 Ca -0.01 -0.72 -0.41 0.00 -2.27 0.00 0.00 64.05 60.64 1xnx n THR 219 Cb 0.26 0.92 -0.04 0.00 -2.10 0.00 0.00 70.33 69.37 1xnx n THR 219 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1xnx s PHE 220 N -1.03 3.77 -0.24 4.78 5.36 -0.87 -0.97 117.98 128.79 1xnx s PHE 220 Ca 0.20 1.74 -0.09 0.00 -0.96 0.00 0.00 56.93 57.82 1xnx s PHE 220 Cb 0.12 -3.05 -0.04 0.00 -0.34 0.00 0.00 43.02 39.71 1xnx s PHE 220 CO 0.17 0.16 0.12 0.00 -1.46 0.00 0.00 175.22 174.21 1xnx h LEU 222 N 7.70 0.92 -1.41 0.00 6.46 -1.96 0.14 115.31 127.16 1xnx h LEU 222 Ca -0.37 -0.44 -0.01 0.00 -0.12 0.00 0.00 57.88 56.94 1xnx h LEU 222 Cb 1.18 -0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.82 1xnx h LEU 222 CO 0.62 1.22 0.30 -0.61 -0.62 0.00 0.00 178.44 179.35 1xnx h GLN 223 N 0.68 0.70 0.00 1.25 5.75 -1.97 -3.28 115.11 118.23 1xnx h GLN 223 Ca 0.04 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.48 1xnx h GLN 223 Cb 1.03 -0.15 0.00 0.00 1.07 0.00 0.00 27.48 29.43 1xnx h GLN 223 CO 0.10 0.50 0.00 0.25 -2.65 0.00 0.00 178.83 177.03 1xnx n THR 224 N -4.42 0.00 -3.78 2.39 -2.24 -1.22 -5.02 114.28 99.99 1xnx n THR 224 Ca 0.05 -0.48 -0.24 0.00 -2.27 0.00 0.00 64.05 61.10 1xnx n THR 224 Cb 0.08 1.03 0.02 0.00 -2.10 0.00 0.00 70.33 69.36 1xnx n THR 224 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1xnx n GLU 225 N -0.17 -3.65 -4.02 -0.78 1.02 0.47 -4.99 120.64 108.53 1xnx n GLU 225 Ca 0.00 0.52 -0.11 0.00 -0.02 0.00 0.00 57.16 57.55 1xnx n GLU 225 Cb 0.01 -4.78 -0.11 0.00 -0.02 0.00 0.00 31.44 26.53 1xnx n GLU 225 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1xnx s ASN 226 N -4.20 0.51 -0.18 1.62 0.01 -1.22 -4.59 114.94 106.89 1xnx s ASN 226 Ca 0.09 -0.49 -0.11 0.00 -0.71 0.00 0.00 52.86 51.63 1xnx s ASN 226 Cb -0.03 0.06 -0.05 0.00 0.41 0.00 0.00 41.25 41.65 1xnx s ASN 226 CO 0.85 -0.24 0.20 -0.36 -1.51 0.00 0.00 177.10 176.03 1xnx s PHE 227 N -1.34 3.44 -0.50 2.20 0.40 -0.94 -1.23 117.98 120.01 1xnx s PHE 227 Ca -0.12 0.44 -0.10 0.00 -0.60 0.00 0.00 56.93 56.55 1xnx s PHE 227 Cb -0.09 -2.23 0.13 0.00 0.51 0.00 0.00 43.02 41.33 1xnx s PHE 227 CO -0.00 0.28 0.39 -0.06 0.70 0.00 0.00 175.22 176.53 1xnx s PHE 228 N 0.35 3.40 -0.42 0.36 0.40 -0.14 -1.31 117.98 120.63 1xnx s PHE 228 Ca 0.12 -1.80 -0.04 0.00 -0.60 0.00 0.00 56.93 54.61 1xnx s PHE 228 Cb -0.12 -3.56 0.11 0.00 0.51 0.00 0.00 43.02 39.97 1xnx s PHE 228 CO 0.01 -1.00 0.24 0.00 0.70 0.00 0.00 175.22 175.17 1xnx n GLY 230 N 4.67 2.34 0.54 0.00 0.00 -1.25 -1.48 105.19 110.01 1xnx n GLY 230 Ca -0.04 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.62 1xnx n GLY 230 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1xnx n PRO 231 N 13.32 1.69 -3.94 1.61 -0.04 -1.26 -4.90 135.00 141.49 1xnx n PRO 231 Ca 0.00 -1.00 -0.31 0.00 -0.04 0.00 0.00 63.50 62.15 1xnx n PRO 231 Cb 0.00 -1.25 -0.04 0.00 -0.04 0.00 0.00 33.50 32.16 1xnx n PRO 231 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1xnx s LEU 232 N -1.00 4.28 -0.25 1.53 1.02 -0.55 -4.48 118.68 119.24 1xnx s LEU 232 Ca 0.18 0.24 -0.02 0.00 0.02 0.00 0.00 54.13 54.56 1xnx s LEU 232 Cb 0.10 -2.84 0.08 0.00 0.02 0.00 0.00 46.19 43.54 1xnx s LEU 232 CO 0.12 0.18 0.05 0.00 0.02 0.00 0.00 176.35 176.73 1xnx s TYR 234 N 1.73 3.76 0.09 0.00 1.51 -0.43 -4.83 117.35 119.19 1xnx s TYR 234 Ca 0.03 1.31 0.08 0.00 -1.01 0.00 0.00 57.07 57.48 1xnx s TYR 234 Cb -0.17 -2.62 -0.03 0.00 -0.11 0.00 0.00 41.96 39.03 1xnx s TYR 234 CO -0.15 0.44 -0.22 0.15 -1.11 0.00 0.00 175.55 174.66 1xnx s LYS 235 N -0.59 1.24 0.38 -0.62 1.02 -1.26 -2.20 119.74 117.71 1xnx s LYS 235 Ca 0.32 -1.14 0.09 0.00 0.02 0.00 0.00 55.97 55.26 1xnx s LYS 235 Cb -0.20 -1.51 0.85 0.00 -0.52 0.00 0.00 37.83 36.46 1xnx s LYS 235 CO 0.20 0.36 1.93 1.98 -0.92 0.00 0.00 175.35 178.90 1xnx h MET 236 N 4.23 0.61 -0.03 1.68 1.85 -1.98 0.02 114.93 121.32 1xnx h MET 236 Ca -0.46 -0.04 0.01 0.00 -0.61 0.00 0.00 59.70 58.60 1xnx h MET 236 Cb 1.17 -0.14 -0.00 0.00 0.43 0.00 0.00 31.60 33.06 1xnx h MET 236 CO 0.40 0.41 0.03 0.93 -0.40 0.00 0.00 176.91 178.28 1xnx h GLU 237 N 0.63 0.00 -0.33 0.39 3.07 -1.97 -1.39 114.58 114.98 1xnx h GLU 237 Ca 0.36 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 59.12 1xnx h GLU 237 Cb 0.53 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1xnx h GLU 237 CO -0.13 0.00 -0.20 -0.44 -1.40 0.00 0.00 179.01 176.84 1xnx h ASP 238 N 0.00 0.62 0.34 1.42 3.32 -1.40 -1.14 116.42 119.59 1xnx h ASP 238 Ca 0.01 -0.20 -0.16 0.00 0.02 0.00 0.00 57.03 56.70 1xnx h ASP 238 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.44 1xnx h ASP 238 CO -0.00 0.83 -0.67 0.00 -1.72 0.00 0.00 179.24 177.68 1xnx h ALA 239 N 1.23 0.73 -0.01 3.45 0.00 -1.34 -2.74 119.26 120.59 1xnx h ALA 239 Ca 0.09 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1xnx h ALA 239 Cb 0.65 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.36 1xnx h ALA 239 CO 0.05 0.76 -0.01 0.28 0.00 0.00 0.00 179.25 180.33 1xnx h VAL 240 N 0.21 0.97 -0.01 0.00 2.07 -0.79 -1.63 116.25 117.07 1xnx h VAL 240 Ca -0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1xnx h VAL 240 Cb 1.21 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.95 1xnx h VAL 240 CO 0.11 0.00 0.03 -0.74 0.02 0.00 0.00 177.57 176.99 1xnx h HIS 241 N -0.01 0.00 -0.01 1.57 6.17 -1.12 -0.00 115.15 121.75 1xnx h HIS 241 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1xnx h HIS 241 Cb 0.02 0.00 0.00 0.00 2.52 0.00 0.00 27.41 29.95 1xnx h HIS 241 CO -0.09 0.00 -0.03 0.00 0.71 0.00 0.00 177.93 178.52 1xnx n ALA 242 N -2.17 2.64 -0.23 5.26 0.00 -0.66 -4.88 120.51 120.48 1xnx n ALA 242 Ca -0.03 -0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.02 1xnx n ALA 242 Cb 0.11 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1xnx n ALA 242 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xnx n GLY 243 N 1.16 0.80 3.77 0.00 0.00 -0.01 -4.94 105.19 105.97 1xnx n GLY 243 Ca 0.19 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 1xnx n GLY 243 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xnx s PHE 244 N -2.15 3.29 0.24 1.61 0.40 -0.92 -4.97 117.98 115.48 1xnx s PHE 244 Ca 0.00 1.64 -0.30 0.00 -0.60 0.00 0.00 56.93 57.67 1xnx s PHE 244 Cb 0.00 -3.22 -0.10 0.00 0.51 0.00 0.00 43.02 40.21 1xnx s PHE 244 CO 0.00 -0.76 1.39 -1.14 0.70 0.00 0.00 175.22 175.41 1xnx s GLN 245 N -2.22 4.31 0.12 0.44 0.74 -1.26 -4.59 119.66 117.20 1xnx s GLN 245 Ca 0.55 2.22 -0.26 0.00 0.05 0.00 0.00 55.36 57.92 1xnx s GLN 245 Cb -0.26 -3.14 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1xnx s GLN 245 CO 0.33 -0.35 1.63 -0.92 -0.55 0.00 0.00 175.29 175.43 1xnx h TYR 246 N 5.07 -0.69 -0.79 1.67 3.20 -1.97 -0.57 116.97 122.89 1xnx h TYR 246 Ca -0.46 0.02 0.14 0.00 3.14 0.00 0.00 58.73 61.58 1xnx h TYR 246 Cb 1.22 0.31 -0.09 0.00 1.54 0.00 0.00 36.73 39.70 1xnx h TYR 246 CO 0.60 -0.35 0.36 0.93 -1.64 0.00 0.00 178.16 178.06 1xnx h GLU 247 N -0.40 0.50 0.63 1.82 3.07 -1.99 0.28 114.58 118.48 1xnx h GLU 247 Ca 0.06 -0.03 -0.03 0.00 -0.50 0.00 0.00 59.36 58.87 1xnx h GLU 247 Cb 0.48 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1xnx h GLU 247 CO -0.22 0.33 -0.45 0.35 -1.40 0.00 0.00 179.01 177.62 1xnx h PHE 248 N 0.52 -1.22 -0.90 4.33 3.57 -1.81 -1.94 116.94 119.49 1xnx h PHE 248 Ca 0.43 -0.00 0.22 0.00 3.53 0.00 0.00 57.97 62.15 1xnx h PHE 248 Cb 0.63 0.45 -0.06 0.00 2.79 0.00 0.00 35.95 39.76 1xnx h PHE 248 CO -0.13 -0.65 0.61 -0.07 -2.23 0.00 0.00 178.31 175.84 1xnx h LEU 249 N -1.03 0.27 -0.21 0.59 4.07 0.21 0.08 115.31 119.28 1xnx h LEU 249 Ca -0.08 0.03 -0.13 0.00 0.08 0.00 0.00 57.88 57.78 1xnx h LEU 249 Cb 0.85 -0.02 0.00 0.00 1.08 0.00 0.00 40.66 42.57 1xnx h LEU 249 CO 0.04 0.10 -0.38 -0.33 -1.08 0.00 0.00 178.44 176.80 1xnx h GLU 250 N 0.26 0.62 0.17 1.13 5.08 -0.19 -1.26 114.58 120.40 1xnx h GLU 250 Ca 0.46 -0.39 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 1xnx h GLU 250 Cb 1.36 0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.65 1xnx h GLU 250 CO -0.13 1.01 -0.08 0.77 -1.00 0.00 0.00 179.01 179.58 1xnx h SER 251 N 0.31 -0.19 -0.99 1.42 0.02 -0.46 0.25 113.55 113.91 1xnx h SER 251 Ca 0.01 -0.07 0.14 0.00 -0.84 0.00 0.00 61.79 61.03 1xnx h SER 251 Cb 0.97 0.05 -0.09 0.00 0.14 0.00 0.00 62.40 63.47 1xnx h SER 251 CO 0.08 -0.05 0.62 0.40 -1.14 0.00 0.00 176.83 176.75 1xnx h ILE 252 N -0.32 0.87 -0.34 3.27 1.08 -1.05 -1.10 117.51 119.92 1xnx h ILE 252 Ca -0.02 -0.31 -0.11 0.00 -0.39 0.00 0.00 64.86 64.03 1xnx h ILE 252 Cb 0.25 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.88 1xnx h ILE 252 CO 0.04 0.17 -0.22 -0.07 -0.69 0.00 0.00 178.15 177.37 1xnx h LEU 253 N 0.90 0.78 -0.65 1.44 -0.00 -0.55 -2.77 115.31 114.46 1xnx h LEU 253 Ca 0.51 -0.43 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1xnx h LEU 253 Cb 0.61 -0.22 -0.03 0.00 -0.00 0.00 0.00 40.66 41.02 1xnx h LEU 253 CO -0.28 1.04 0.42 -0.74 -0.00 0.00 0.00 178.44 178.89 1xnx h HIS 254 N 0.52 0.80 0.11 1.13 2.76 0.39 -1.54 115.15 119.32 1xnx h HIS 254 Ca 0.07 0.02 0.02 0.00 -2.20 0.00 0.00 60.37 58.28 1xnx h HIS 254 Cb 0.78 -0.27 -0.05 0.00 1.55 0.00 0.00 27.41 29.42 1xnx h HIS 254 CO 0.06 0.49 -0.41 0.35 -1.30 0.00 0.00 177.93 177.13 1xnx h PHE 255 N 0.86 -1.14 -0.71 5.26 3.57 -1.15 0.18 116.94 123.80 1xnx h PHE 255 Ca 0.24 0.03 0.03 0.00 3.53 0.00 0.00 57.97 61.80 1xnx h PHE 255 Cb -0.07 0.49 -0.04 0.00 2.79 0.00 0.00 35.95 39.12 1xnx h PHE 255 CO -0.03 -0.51 0.47 0.45 -2.23 0.00 0.00 178.31 176.46 1xnx h HIS 256 N -0.63 0.84 -0.09 0.41 3.86 -1.26 0.13 115.15 118.41 1xnx h HIS 256 Ca 0.03 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.22 1xnx h HIS 256 Cb 0.67 -0.28 -0.00 0.00 1.06 0.00 0.00 27.41 28.85 1xnx h HIS 256 CO -0.36 0.50 -0.06 0.87 0.86 0.00 0.00 177.93 179.73 1xnx h LYS 257 N 0.88 0.21 -0.47 2.45 1.57 -0.82 -0.87 116.57 119.52 1xnx h LYS 257 Ca 0.28 -0.10 0.04 0.00 -1.87 0.00 0.00 60.65 59.01 1xnx h LYS 257 Cb 0.04 -0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 1xnx h LYS 257 CO -0.08 0.59 0.22 -0.91 -0.57 0.00 0.00 179.45 178.71 1xnx h ASN 258 N -0.18 0.31 0.27 0.86 -0.26 -0.06 -1.51 115.58 115.01 1xnx h ASN 258 Ca 0.02 0.03 -0.13 0.00 -0.56 0.00 0.00 56.30 55.65 1xnx h ASN 258 Cb 0.54 -0.03 -0.01 0.00 -1.06 0.00 0.00 38.32 37.76 1xnx h ASN 258 CO 0.02 0.22 -0.53 0.25 -1.06 0.00 0.00 177.43 176.33 1xnx h LEU 259 N 0.44 0.31 -0.46 1.61 5.85 -0.75 -3.13 115.31 119.19 1xnx h LEU 259 Ca 0.21 -0.16 -0.17 0.00 0.84 0.00 0.00 57.88 58.60 1xnx h LEU 259 Cb 0.13 -0.09 -0.00 0.00 0.37 0.00 0.00 40.66 41.07 1xnx h LEU 259 CO -0.16 0.78 -0.57 0.50 -0.34 0.00 0.00 178.44 178.66 1xnx h LYS 260 N 0.22 0.61 0.00 1.25 1.63 -0.82 -2.78 116.57 116.68 1xnx h LYS 260 Ca 0.01 -0.40 0.00 0.00 -0.85 0.00 0.00 60.65 59.41 1xnx h LYS 260 Cb 1.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.68 1xnx h LYS 260 CO 0.08 1.01 0.10 0.41 -3.45 0.00 0.00 179.45 177.60 1xnx n GLY 261 N 0.31 -0.79 0.17 5.01 0.00 -0.60 -1.18 105.19 108.11 1xnx n GLY 261 Ca -0.04 0.18 0.14 0.00 0.00 0.00 0.00 46.02 46.31 1xnx n GLY 261 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xnx n LEU 262 N -2.21 0.62 -3.75 0.99 4.77 -1.05 -4.96 117.00 111.41 1xnx n LEU 262 Ca -0.01 -0.11 -0.23 0.00 -0.03 0.00 0.00 56.01 55.63 1xnx n LEU 262 Cb 0.13 -0.11 0.03 0.00 -2.33 0.00 0.00 43.42 41.14 1xnx n LEU 262 CO 0.09 0.11 -0.04 1.41 -1.33 0.00 0.00 177.39 177.63 1xnx n HIS 263 N -0.72 -1.99 -1.56 -1.77 8.25 -0.33 -4.90 115.22 112.20 1xnx n HIS 263 Ca 0.17 0.85 -0.29 0.00 -0.26 0.00 0.00 57.72 58.19 1xnx n HIS 263 Cb 0.27 -4.29 0.16 0.00 1.12 0.00 0.00 29.99 27.24 1xnx n HIS 263 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1xnx s LEU 264 N -6.81 1.98 0.03 2.41 1.43 -1.26 -4.96 118.68 111.49 1xnx s LEU 264 Ca 0.14 0.77 -0.03 0.00 -1.03 0.00 0.00 54.13 53.98 1xnx s LEU 264 Cb -0.07 -2.96 -0.02 0.00 0.03 0.00 0.00 46.19 43.17 1xnx s LEU 264 CO 0.82 -2.78 0.04 -1.10 0.23 0.00 0.00 176.35 173.56 1xnx s GLN 265 N -5.43 0.52 0.00 1.70 -0.21 -1.26 -5.01 119.66 109.96 1xnx s GLN 265 Ca 0.67 -0.79 0.00 0.00 0.02 0.00 0.00 55.36 55.26 1xnx s GLN 265 Cb -0.12 0.19 0.00 0.00 1.00 0.00 0.00 33.01 34.09 1xnx s GLN 265 CO 0.53 -0.11 0.00 0.39 -2.12 0.00 0.00 175.29 173.98 1xnx n GLU 266 N 0.89 0.00 -0.01 2.91 -0.58 -1.26 0.62 120.64 123.21 1xnx n GLU 266 Ca -0.19 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.44 1xnx n GLU 266 Cb 0.58 0.00 -0.04 0.00 -0.57 0.00 0.00 31.44 31.41 1xnx n GLU 266 CO 0.00 0.00 0.00 -1.35 -0.48 0.00 0.00 177.13 175.30 1xnx h PRO 267 N 0.00 -0.37 -1.00 3.49 0.11 -1.98 0.25 132.00 132.50 1xnx h PRO 267 Ca 0.00 0.03 0.02 0.00 0.11 0.00 0.00 66.00 66.15 1xnx h PRO 267 Cb 0.00 0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.14 1xnx h PRO 267 CO 0.00 -0.25 0.66 0.93 -0.21 0.00 0.00 178.00 179.14 1xnx h GLU 268 N -0.39 1.30 -0.27 1.05 3.07 -0.23 -0.61 114.58 118.51 1xnx h GLU 268 Ca 0.10 -0.08 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 1xnx h GLU 268 Cb 0.54 -0.29 -0.01 0.00 -0.84 0.00 0.00 28.75 28.15 1xnx h GLU 268 CO -0.36 0.86 0.11 1.88 -1.40 0.00 0.00 179.01 180.09 1xnx h TYR 269 N 1.34 0.41 0.07 4.33 -1.99 -0.77 -1.54 116.97 118.82 1xnx h TYR 269 Ca 0.37 -0.03 -0.00 0.00 2.00 0.00 0.00 58.73 61.07 1xnx h TYR 269 Cb -0.12 -0.12 0.00 0.00 2.00 0.00 0.00 36.73 38.49 1xnx h TYR 269 CO -0.00 0.41 -0.03 0.28 -0.00 0.00 0.00 178.16 178.82 1xnx h VAL 270 N 0.28 1.08 -0.19 -2.88 2.07 -0.18 -1.61 116.25 114.83 1xnx h VAL 270 Ca 0.09 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 67.15 1xnx h VAL 270 Cb 0.18 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1xnx h VAL 270 CO -0.01 0.13 -0.26 -0.07 0.02 0.00 0.00 177.57 177.38 1xnx h LEU 271 N -0.32 -0.81 -0.64 2.57 -0.00 -1.10 -0.18 115.31 114.83 1xnx h LEU 271 Ca -0.01 0.13 0.13 0.00 -0.00 0.00 0.00 57.88 58.14 1xnx h LEU 271 Cb 0.28 0.36 -0.10 0.00 -0.00 0.00 0.00 40.66 41.20 1xnx h LEU 271 CO 0.02 -0.30 0.07 -0.03 -0.00 0.00 0.00 178.44 178.20 1xnx h MET 272 N -0.29 0.18 -0.91 1.13 4.05 -1.22 0.39 114.93 118.26 1xnx h MET 272 Ca 0.12 -0.01 0.03 0.00 -0.28 0.00 0.00 59.70 59.55 1xnx h MET 272 Cb 0.47 -0.04 -0.05 0.00 -0.80 0.00 0.00 31.60 31.18 1xnx h MET 272 CO -0.35 0.12 0.60 0.00 0.23 0.00 0.00 176.91 177.51 1xnx h ALA 273 N 1.55 1.40 -0.07 0.39 0.00 -0.12 -0.46 119.26 121.95 1xnx h ALA 273 Ca 0.34 -0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.10 1xnx h ALA 273 Cb 0.55 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1xnx h ALA 273 CO -0.49 0.53 -0.42 0.00 0.00 0.00 0.00 179.25 178.87 1xnx h ALA 274 N 1.46 1.18 -0.35 0.00 0.00 0.65 -0.63 119.26 121.57 1xnx h ALA 274 Ca 0.35 -0.41 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1xnx h ALA 274 Cb -0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1xnx h ALA 274 CO -0.10 0.57 -0.03 1.15 0.00 0.00 0.00 179.25 180.84 1xnx h THR 275 N 0.12 1.27 -0.06 0.00 2.02 0.49 -2.63 112.91 114.12 1xnx h THR 275 Ca 0.01 -1.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.03 1xnx h THR 275 Cb 0.80 1.24 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 1xnx h THR 275 CO 0.06 0.34 -0.50 0.00 0.37 0.00 0.00 175.52 175.80 1xnx h ALA 276 N 0.84 1.05 0.05 6.16 0.00 -0.81 -3.28 119.26 123.28 1xnx h ALA 276 Ca 0.10 -0.47 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1xnx h ALA 276 Cb 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1xnx h ALA 276 CO 0.02 0.65 -0.02 1.25 0.00 0.00 0.00 179.25 181.15 1xnx h LEU 277 N 0.13 -0.06 -3.40 0.00 5.85 -0.90 -3.23 115.31 113.70 1xnx h LEU 277 Ca 0.00 -0.15 -0.20 0.00 0.84 0.00 0.00 57.88 58.37 1xnx h LEU 277 Cb 0.93 0.01 -0.08 0.00 0.37 0.00 0.00 40.66 41.89 1xnx h LEU 277 CO 0.07 0.12 0.19 0.49 -0.34 0.00 0.00 178.44 178.97 1xnx n PHE 278 N -5.04 0.83 -3.15 1.25 3.01 -1.01 -4.82 117.46 108.53 1xnx n PHE 278 Ca -0.08 -1.55 -0.40 0.00 1.01 0.00 0.00 57.45 56.43 1xnx n PHE 278 Cb 0.12 -0.85 -0.06 0.00 -0.01 0.00 0.00 39.48 38.68 1xnx n PHE 278 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 1xnx s SER 279 N 1.04 6.69 0.16 4.37 0.15 -1.22 -4.06 113.70 120.83 1xnx s SER 279 Ca 0.23 0.84 0.08 0.00 0.70 0.00 0.00 55.95 57.80 1xnx s SER 279 Cb 0.16 -2.34 -0.11 0.00 -1.71 0.00 0.00 66.02 62.02 1xnx s SER 279 CO -0.02 -0.22 1.34 1.55 1.20 0.00 0.00 173.24 177.09 1xnx h PRO 280 N 7.35 0.00 0.00 5.44 0.13 -1.87 -3.32 132.00 139.72 1xnx h PRO 280 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 1xnx h PRO 280 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1xnx h PRO 280 CO 0.77 0.90 0.24 -0.25 -0.23 0.00 0.00 178.00 179.42 1xnx n ASP 281 N -3.39 0.28 -4.76 1.44 8.00 -1.26 -4.65 116.55 112.22 1xnx n ASP 281 Ca 0.00 0.52 -0.41 0.00 0.71 0.00 0.00 54.79 55.61 1xnx n ASP 281 Cb 0.88 -0.50 -0.02 0.00 -0.02 0.00 0.00 41.12 41.46 1xnx n ASP 281 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1xnx s ARG 282 N -3.18 4.33 0.62 -1.24 0.52 -1.25 -4.97 118.95 113.78 1xnx s ARG 282 Ca -0.01 2.22 -0.19 0.00 -0.52 0.00 0.00 55.73 57.23 1xnx s ARG 282 Cb 0.03 -3.10 -0.02 0.00 0.52 0.00 0.00 34.95 32.38 1xnx s ARG 282 CO 0.10 -0.28 1.27 -1.25 0.02 0.00 0.00 175.30 175.17 1xnx s PRO 283 N -1.08 2.75 0.00 3.54 0.04 -1.26 -3.54 135.00 135.44 1xnx s PRO 283 Ca 0.53 2.01 0.00 0.00 0.04 0.00 0.00 61.00 63.58 1xnx s PRO 283 Cb -0.40 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.23 1xnx s PRO 283 CO 0.48 -1.43 0.00 0.41 0.04 0.00 0.00 177.00 176.50 1xnx n GLY 284 N 0.76 0.84 3.83 0.56 0.00 -1.26 -4.88 105.19 105.04 1xnx n GLY 284 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.82 1xnx n GLY 284 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xnx s VAL 285 N -3.24 4.62 -0.13 1.61 -7.23 -1.23 -4.70 120.40 110.09 1xnx s VAL 285 Ca 0.00 1.13 -0.10 0.00 -1.81 0.00 0.00 61.98 61.20 1xnx s VAL 285 Cb 0.00 -3.74 -0.06 0.00 0.56 0.00 0.00 36.38 33.14 1xnx s VAL 285 CO 0.00 0.02 -0.23 0.41 -0.31 0.00 0.00 175.10 174.99 1xnx n THR 286 N 0.20 1.16 -0.36 5.32 -1.04 -1.26 -4.65 114.28 113.65 1xnx n THR 286 Ca 0.01 -0.04 -0.01 0.00 -2.04 0.00 0.00 64.05 61.97 1xnx n THR 286 Cb 0.52 -1.88 -0.01 0.00 -1.82 0.00 0.00 70.33 67.13 1xnx n THR 286 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1xnx n GLN 287 N -3.93 0.72 -0.33 -2.82 1.13 -1.26 -4.64 117.38 106.26 1xnx n GLN 287 Ca -0.24 -0.08 0.27 0.00 -1.94 0.00 0.00 57.00 55.01 1xnx n GLN 287 Cb 0.57 -1.26 0.51 0.00 0.11 0.00 0.00 30.24 30.17 1xnx n GLN 287 CO 0.00 0.00 0.00 -0.09 -1.44 0.00 0.00 177.06 175.53 1xnx h ARG 288 N 2.34 0.11 0.01 -1.09 2.43 -1.93 -0.58 114.38 115.67 1xnx h ARG 288 Ca 0.02 -0.01 -0.25 0.00 -0.81 0.00 0.00 59.98 58.92 1xnx h ARG 288 Cb 0.68 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1xnx h ARG 288 CO 0.04 0.08 -1.36 1.49 -1.51 0.00 0.00 179.97 178.71 1xnx h GLU 289 N 0.12 0.03 -0.23 0.20 4.22 -1.98 -2.42 114.58 114.51 1xnx h GLU 289 Ca 0.78 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 60.11 1xnx h GLU 289 Cb 1.92 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 31.18 1xnx h GLU 289 CO -0.72 0.80 -0.09 0.93 -2.18 0.00 0.00 179.01 177.75 1xnx h GLU 290 N 0.01 0.47 -0.51 1.92 4.39 -1.55 -2.54 114.58 116.76 1xnx h GLU 290 Ca -0.15 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.25 1xnx h GLU 290 Cb 1.90 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 30.51 1xnx h GLU 290 CO 0.11 0.72 -0.08 0.82 -1.16 0.00 0.00 179.01 179.43 1xnx h ILE 291 N 0.19 1.26 0.00 3.13 2.04 -1.32 -2.17 117.51 120.64 1xnx h ILE 291 Ca 0.05 -1.19 -0.01 0.00 1.00 0.00 0.00 64.86 64.72 1xnx h ILE 291 Cb 0.57 0.95 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1xnx h ILE 291 CO 0.03 0.42 -0.03 -0.78 0.00 0.00 0.00 178.15 177.79 1xnx h ASP 292 N 0.84 0.00 0.12 1.72 3.58 -1.32 0.36 116.42 121.72 1xnx h ASP 292 Ca 0.14 0.00 -0.25 0.00 0.42 0.00 0.00 57.03 57.34 1xnx h ASP 292 Cb 0.60 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.67 1xnx h ASP 292 CO 0.04 0.03 -1.00 -0.61 -2.88 0.00 0.00 179.24 174.82 1xnx h GLN 293 N 0.00 0.60 -0.35 0.28 5.75 -0.96 -2.90 115.11 117.52 1xnx h GLN 293 Ca -0.00 -0.64 -0.00 0.00 -0.15 0.00 0.00 58.65 57.86 1xnx h GLN 293 Cb 0.24 0.18 -0.02 0.00 1.07 0.00 0.00 27.48 28.96 1xnx h GLN 293 CO 0.00 1.24 0.21 -0.07 -2.65 0.00 0.00 178.83 177.56 1xnx h LEU 294 N 0.34 0.42 -0.58 -2.39 3.38 -0.70 -2.18 115.31 113.59 1xnx h LEU 294 Ca -0.11 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 57.79 1xnx h LEU 294 Cb 1.64 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 42.26 1xnx h LEU 294 CO 0.19 0.36 0.31 -0.61 0.09 0.00 0.00 178.44 178.77 1xnx h GLN 295 N 0.45 0.82 -0.61 1.13 4.15 -1.34 -1.25 115.11 118.46 1xnx h GLN 295 Ca 0.12 -0.10 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 1xnx h GLN 295 Cb 0.02 -0.16 -0.03 0.00 0.21 0.00 0.00 27.48 27.52 1xnx h GLN 295 CO -0.02 0.64 0.29 0.93 -1.93 0.00 0.00 178.83 178.74 1xnx h GLU 296 N 0.79 0.85 0.00 1.69 5.08 -1.30 0.18 114.58 121.87 1xnx h GLU 296 Ca 0.20 -0.11 -0.12 0.00 -1.00 0.00 0.00 59.36 58.33 1xnx h GLU 296 Cb 0.07 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.14 1xnx h GLU 296 CO -0.03 0.66 -0.58 0.93 -1.00 0.00 0.00 179.01 178.99 1xnx h GLU 297 N 0.85 0.00 -0.12 2.33 5.08 -0.98 -1.44 114.58 120.31 1xnx h GLU 297 Ca 0.21 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.48 1xnx h GLU 297 Cb 0.09 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xnx h GLU 297 CO -0.03 0.58 -0.29 1.98 -1.00 0.00 0.00 179.01 180.25 1xnx h MET 298 N 0.00 0.41 -0.58 2.33 4.05 -0.32 -2.55 114.93 118.28 1xnx h MET 298 Ca -0.01 -0.28 -0.09 0.00 -0.28 0.00 0.00 59.70 59.05 1xnx h MET 298 Cb 1.05 0.04 -0.02 0.00 -0.80 0.00 0.00 31.60 31.87 1xnx h MET 298 CO 0.08 0.89 0.03 0.00 0.23 0.00 0.00 176.91 178.13 1xnx h ALA 299 N 0.52 0.77 -0.84 0.39 0.00 -0.55 -1.08 119.26 118.48 1xnx h ALA 299 Ca -0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.60 1xnx h ALA 299 Cb 0.89 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1xnx h ALA 299 CO 0.06 0.58 0.44 1.25 0.00 0.00 0.00 179.25 181.59 1xnx h LEU 300 N 0.89 1.05 -0.75 0.00 5.85 -1.31 0.29 115.31 121.33 1xnx h LEU 300 Ca 0.17 -0.10 -0.13 0.00 0.84 0.00 0.00 57.88 58.66 1xnx h LEU 300 Cb 0.51 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 1xnx h LEU 300 CO 0.02 0.86 -0.42 0.40 -0.34 0.00 0.00 178.44 178.96 1xnx h ILE 301 N 1.18 1.31 0.84 4.05 2.04 -1.17 -0.61 117.51 125.14 1xnx h ILE 301 Ca 0.29 -1.58 -0.04 0.00 1.00 0.00 0.00 64.86 64.53 1xnx h ILE 301 Cb 0.05 1.62 0.01 0.00 -0.74 0.00 0.00 36.82 37.76 1xnx h ILE 301 CO -0.04 0.49 -0.40 0.25 0.00 0.00 0.00 178.15 178.44 1xnx h LEU 302 N 0.37 -0.96 -0.11 1.44 6.46 -0.12 -0.33 115.31 122.06 1xnx h LEU 302 Ca 0.03 0.03 0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1xnx h LEU 302 Cb 0.89 0.25 -0.06 0.00 -0.73 0.00 0.00 40.66 41.01 1xnx h LEU 302 CO 0.08 -0.61 -0.53 -1.13 -0.62 0.00 0.00 178.44 175.63 1xnx h ASN 303 N -1.28 -1.68 -0.35 1.25 -1.24 -0.43 -0.56 115.58 111.30 1xnx h ASN 303 Ca -0.12 0.20 -0.00 0.00 0.71 0.00 0.00 56.30 57.09 1xnx h ASN 303 Cb 0.87 0.65 -0.02 0.00 0.73 0.00 0.00 38.32 40.56 1xnx h ASN 303 CO 0.19 -0.49 0.22 0.78 -1.29 0.00 0.00 177.43 176.84 1xnx h ASN 304 N -0.59 0.43 -0.34 1.15 -0.26 -1.17 -1.79 115.58 113.00 1xnx h ASN 304 Ca 0.03 -0.02 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 1xnx h ASN 304 Cb 0.69 -0.11 -0.02 0.00 -1.06 0.00 0.00 38.32 37.82 1xnx h ASN 304 CO -0.42 0.33 0.18 -0.74 -1.06 0.00 0.00 177.43 175.72 1xnx h HIS 305 N 0.50 0.49 -0.48 1.19 2.76 -0.24 -1.58 115.15 117.79 1xnx h HIS 305 Ca 0.13 -0.02 0.05 0.00 -2.20 0.00 0.00 60.37 58.33 1xnx h HIS 305 Cb -0.01 -0.15 -0.05 0.00 1.55 0.00 0.00 27.41 28.75 1xnx h HIS 305 CO 0.00 0.41 0.22 0.82 -1.30 0.00 0.00 177.93 178.07 1xnx h ILE 306 N 0.43 0.91 -0.38 6.26 2.04 -0.29 -2.27 117.51 124.21 1xnx h ILE 306 Ca 0.12 -0.15 0.02 0.00 1.00 0.00 0.00 64.86 65.85 1xnx h ILE 306 Cb 0.09 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1xnx h ILE 306 CO -0.02 0.08 0.22 0.24 0.00 0.00 0.00 178.15 178.67 1xnx h MET 307 N 0.43 0.43 -0.75 2.37 2.86 -1.11 -0.96 114.93 118.20 1xnx h MET 307 Ca 0.22 -0.03 0.22 0.00 -2.06 0.00 0.00 59.70 58.05 1xnx h MET 307 Cb 0.17 -0.10 -0.03 0.00 0.06 0.00 0.00 31.60 31.70 1xnx h MET 307 CO -0.18 0.28 0.66 1.49 1.06 0.00 0.00 176.91 180.23 1xnx h GLU 308 N 0.44 0.00 -0.67 1.72 4.81 -0.71 0.41 114.58 120.59 1xnx h GLU 308 Ca 0.15 0.00 -0.36 0.00 -0.13 0.00 0.00 59.36 59.02 1xnx h GLU 308 Cb 0.01 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 29.18 1xnx h GLU 308 CO -0.07 0.00 0.25 1.04 -0.73 0.00 0.00 179.01 179.50 1xnx n GLN 309 N -3.89 2.11 -0.28 1.92 3.00 -0.38 -4.78 117.38 115.09 1xnx n GLN 309 Ca 0.15 -3.16 0.05 0.00 -0.01 0.00 0.00 57.00 54.03 1xnx n GLN 309 Cb 0.93 -2.01 0.12 0.00 0.00 0.00 0.00 30.24 29.28 1xnx n GLN 309 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1xnx n GLN 310 N -1.11 -0.07 -0.10 -1.09 7.27 0.14 -0.46 117.38 121.96 1xnx n GLN 310 Ca 0.46 1.20 -0.02 0.00 0.07 0.00 0.00 57.00 58.71 1xnx n GLN 310 Cb 1.27 -1.79 0.21 0.00 2.41 0.00 0.00 30.24 32.34 1xnx n GLN 310 CO 0.00 0.00 0.00 0.77 0.07 0.00 0.00 177.06 177.90 1xnx h SER 311 N 0.00 0.71 0.05 1.69 0.02 -1.86 -3.32 113.55 110.84 1xnx h SER 311 Ca 0.38 -0.13 -0.00 0.00 -0.84 0.00 0.00 61.79 61.19 1xnx h SER 311 Cb 0.59 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.94 1xnx h SER 311 CO -0.79 0.73 -0.03 -0.09 -1.14 0.00 0.00 176.83 175.51 1xnx h ARG 312 N 0.72 -0.07 -6.28 3.45 2.43 -1.16 -3.43 114.38 110.04 1xnx h ARG 312 Ca 0.15 0.00 -0.58 0.00 -0.81 0.00 0.00 59.98 58.75 1xnx h ARG 312 Cb 0.33 0.02 -0.09 0.00 -0.42 0.00 0.00 29.97 29.80 1xnx h ARG 312 CO 0.00 0.27 0.78 -0.51 -1.51 0.00 0.00 179.97 179.00 1xnx s LEU 313 N -8.57 3.77 -0.20 3.80 1.43 -0.89 -4.92 118.68 113.10 1xnx s LEU 313 Ca -0.07 -0.02 0.15 0.00 -1.03 0.00 0.00 54.13 53.16 1xnx s LEU 313 Cb -0.01 -3.08 0.49 0.00 0.03 0.00 0.00 46.19 43.62 1xnx s LEU 313 CO 0.27 -1.32 1.39 0.00 0.23 0.00 0.00 176.35 176.92 1xnx n GLN 314 N 7.88 2.43 -3.42 1.70 6.02 -1.26 -4.72 117.38 126.01 1xnx n GLN 314 Ca 0.06 -2.88 -0.37 0.00 -0.01 0.00 0.00 57.00 53.80 1xnx n GLN 314 Cb 0.48 -1.79 -0.06 0.00 1.02 0.00 0.00 30.24 29.90 1xnx n GLN 314 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1xnx s SER 315 N -2.21 6.85 0.43 1.08 0.01 -1.26 -5.04 113.70 113.54 1xnx s SER 315 Ca 0.41 1.04 -0.24 0.00 1.31 0.00 0.00 55.95 58.47 1xnx s SER 315 Cb 0.35 -2.27 -0.08 0.00 0.21 0.00 0.00 66.02 64.22 1xnx s SER 315 CO 0.06 0.23 1.12 -0.13 0.41 0.00 0.00 173.24 174.93 1xnx s ARG 316 N -1.45 3.97 -1.45 12.44 0.52 -1.26 -3.53 118.95 128.19 1xnx s ARG 316 Ca 0.30 1.67 -0.07 0.00 -0.52 0.00 0.00 55.73 57.11 1xnx s ARG 316 Cb -0.16 -2.50 0.05 0.00 0.52 0.00 0.00 34.95 32.85 1xnx s ARG 316 CO 0.17 -0.34 0.78 1.19 0.02 0.00 0.00 175.30 177.11 1xnx n PHE 317 N -0.23 -2.01 0.26 -0.53 3.01 -1.26 -4.85 117.46 111.84 1xnx n PHE 317 Ca 0.06 0.85 -0.17 0.00 1.01 0.00 0.00 57.45 59.20 1xnx n PHE 317 Cb 0.48 -3.98 -0.09 0.00 -0.01 0.00 0.00 39.48 35.88 1xnx n PHE 317 CO 0.00 0.00 0.00 1.25 1.01 0.00 0.00 176.76 179.02 1xnx h LEU 318 N -1.92 -1.17 -0.33 4.37 6.46 -1.99 0.50 115.31 121.23 1xnx h LEU 318 Ca -0.60 0.10 0.07 0.00 -0.12 0.00 0.00 57.88 57.32 1xnx h LEU 318 Cb 1.37 0.39 -0.08 0.00 -0.73 0.00 0.00 40.66 41.61 1xnx h LEU 318 CO 0.64 -0.58 -0.39 0.22 -0.62 0.00 0.00 178.44 177.70 1xnx h TYR 319 N -0.87 -1.12 -0.52 1.25 3.20 -1.92 0.16 116.97 117.15 1xnx h TYR 319 Ca -0.04 0.06 0.03 0.00 3.14 0.00 0.00 58.73 61.92 1xnx h TYR 319 Cb 0.77 0.54 -0.04 0.00 1.54 0.00 0.00 36.73 39.54 1xnx h TYR 319 CO -0.23 -0.43 0.30 0.00 -1.64 0.00 0.00 178.16 176.16 1xnx h ALA 320 N 0.46 0.67 -0.80 1.82 0.00 -1.92 -0.50 119.26 119.00 1xnx h ALA 320 Ca 0.13 0.00 0.05 0.00 0.00 0.00 0.00 54.91 55.10 1xnx h ALA 320 Cb 0.58 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1xnx h ALA 320 CO -0.52 -0.01 0.52 0.87 0.00 0.00 0.00 179.25 180.11 1xnx h LYS 321 N 0.59 0.89 0.35 0.00 1.57 0.12 0.77 116.57 120.86 1xnx h LYS 321 Ca 0.22 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.93 1xnx h LYS 321 Cb 0.06 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.17 1xnx h LYS 321 CO -0.12 0.59 -0.17 -0.07 -0.57 0.00 0.00 179.45 179.11 1xnx h LEU 322 N 0.92 -0.40 -2.05 2.94 3.38 0.16 -0.96 115.31 119.30 1xnx h LEU 322 Ca 0.33 -0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.26 1xnx h LEU 322 Cb 0.16 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1xnx h LEU 322 CO -0.11 0.02 0.31 0.24 0.09 0.00 0.00 178.44 178.99 1xnx h MET 323 N -0.92 0.00 -0.24 1.13 2.86 -0.73 0.23 114.93 117.26 1xnx h MET 323 Ca -0.05 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1xnx h MET 323 Cb 0.53 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.18 1xnx h MET 323 CO 0.08 0.00 -0.10 0.78 1.06 0.00 0.00 176.91 178.73 1xnx h GLY 324 N 0.00 0.53 2.00 8.32 0.00 0.79 -2.44 103.07 112.27 1xnx h GLY 324 Ca 0.18 -0.46 -0.06 0.00 0.00 0.00 0.00 47.33 46.99 1xnx h GLY 324 CO -0.00 0.42 -0.28 1.41 0.00 0.00 0.00 176.54 178.09 1xnx h LEU 325 N 0.22 0.00 -1.40 3.11 3.38 0.77 -0.15 115.31 121.23 1xnx h LEU 325 Ca 0.06 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 1xnx h LEU 325 Cb 0.58 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1xnx h LEU 325 CO 0.03 0.28 -0.25 0.25 0.09 0.00 0.00 178.44 178.84 1xnx h LEU 326 N 0.00 0.00 0.00 1.67 5.85 -0.72 -0.50 115.31 121.62 1xnx h LEU 326 Ca -0.00 0.00 -0.10 0.00 0.84 0.00 0.00 57.88 58.62 1xnx h LEU 326 Cb 0.52 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.56 1xnx h LEU 326 CO 0.04 0.25 -0.39 0.00 -0.34 0.00 0.00 178.44 177.99 1xnx h ALA 327 N 1.75 0.04 -0.49 1.25 0.00 -0.58 -2.85 119.26 118.38 1xnx h ALA 327 Ca -0.00 -0.51 0.05 0.00 0.00 0.00 0.00 54.91 54.44 1xnx h ALA 327 Cb 0.61 0.02 -0.05 0.00 0.00 0.00 0.00 17.79 18.38 1xnx h ALA 327 CO 0.03 0.19 0.23 -0.44 0.00 0.00 0.00 179.25 179.26 1xnx h ASP 328 N -0.36 0.31 -0.07 0.00 3.45 -0.90 -1.56 116.42 117.29 1xnx h ASP 328 Ca -0.05 0.03 0.03 0.00 0.43 0.00 0.00 57.03 57.47 1xnx h ASP 328 Cb 1.14 -0.02 -0.03 0.00 -0.56 0.00 0.00 39.33 39.86 1xnx h ASP 328 CO 0.08 0.22 -0.11 0.25 -1.57 0.00 0.00 179.24 178.11 1xnx h LEU 329 N 0.45 -0.32 -0.80 1.55 5.85 -1.15 -1.44 115.31 119.45 1xnx h LEU 329 Ca 0.22 0.06 0.05 0.00 0.84 0.00 0.00 57.88 59.04 1xnx h LEU 329 Cb 0.15 0.15 -0.05 0.00 0.37 0.00 0.00 40.66 41.28 1xnx h LEU 329 CO -0.17 -0.15 0.50 0.03 -0.34 0.00 0.00 178.44 178.31 1xnx h ARG 330 N -0.15 0.92 -0.33 1.25 3.08 -1.22 -2.30 114.38 115.62 1xnx h ARG 330 Ca 0.06 -0.06 0.01 0.00 0.07 0.00 0.00 59.98 60.07 1xnx h ARG 330 Cb 0.24 -0.21 -0.02 0.00 0.08 0.00 0.00 29.97 30.06 1xnx h ARG 330 CO -0.16 0.61 0.20 0.77 -1.07 0.00 0.00 179.97 180.32 1xnx h SER 331 N 0.94 0.33 -0.66 7.04 0.02 -0.84 -1.72 113.55 118.66 1xnx h SER 331 Ca 0.33 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.34 1xnx h SER 331 Cb 0.09 -0.07 -0.05 0.00 0.14 0.00 0.00 62.40 62.51 1xnx h SER 331 CO -0.14 0.24 0.36 0.40 -1.14 0.00 0.00 176.83 176.55 1xnx h ILE 332 N 0.41 0.97 -0.49 3.27 2.04 -0.75 -0.76 117.51 122.20 1xnx h ILE 332 Ca 0.13 -0.23 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 1xnx h ILE 332 Cb -0.01 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.29 1xnx h ILE 332 CO -0.05 0.12 -0.14 -1.13 0.00 0.00 0.00 178.15 176.95 1xnx h ASN 333 N 0.68 0.98 -0.75 1.72 -1.24 -1.17 -0.48 115.58 115.31 1xnx h ASN 333 Ca 0.29 -0.37 0.01 0.00 0.71 0.00 0.00 56.30 56.95 1xnx h ASN 333 Cb 0.18 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 38.92 1xnx h ASN 333 CO -0.18 1.12 0.50 0.78 -1.29 0.00 0.00 177.43 178.36 1xnx h ASN 334 N 0.82 0.85 0.23 1.15 4.21 -0.86 -0.24 115.58 121.75 1xnx h ASN 334 Ca 0.12 -0.02 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 1xnx h ASN 334 Cb 0.70 -0.21 0.00 0.00 -1.12 0.00 0.00 38.32 37.69 1xnx h ASN 334 CO 0.05 0.61 -0.11 0.00 -1.29 0.00 0.00 177.43 176.70 1xnx h ALA 335 N 1.28 -0.31 -0.94 -0.83 0.00 -0.90 -3.33 119.26 114.23 1xnx h ALA 335 Ca 0.28 -0.20 -0.64 0.00 0.00 0.00 0.00 54.91 54.35 1xnx h ALA 335 Cb -0.10 0.12 -0.34 0.00 0.00 0.00 0.00 17.79 17.47 1xnx h ALA 335 CO -0.07 -0.44 0.31 0.66 0.00 0.00 0.00 179.25 179.71 1xnx n TYR 336 N -5.03 3.08 0.23 0.00 4.02 -0.21 -4.70 117.16 114.55 1xnx n TYR 336 Ca -0.09 -2.74 0.07 0.00 -0.01 0.00 0.00 57.90 55.13 1xnx n TYR 336 Cb 0.26 -1.05 0.58 0.00 -0.02 0.00 0.00 39.34 39.12 1xnx n TYR 336 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 176.86 176.88 1xnx h SER 337 N 2.14 0.03 0.22 7.72 0.87 -1.15 -2.10 113.55 121.27 1xnx h SER 337 Ca 0.52 -0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 61.05 1xnx h SER 337 Cb 1.00 -0.01 -0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1xnx h SER 337 CO 1.30 0.08 -0.15 0.10 -0.53 0.00 0.00 176.83 177.63 1xnx h TYR 338 N 0.04 0.00 -0.77 2.24 -0.00 -1.85 -1.54 116.97 115.09 1xnx h TYR 338 Ca 0.01 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.72 1xnx h TYR 338 Cb 0.09 0.00 -0.04 0.00 0.00 0.00 0.00 36.73 36.79 1xnx h TYR 338 CO 0.00 0.15 0.42 1.49 -0.00 0.00 0.00 178.16 180.21 1xnx h GLU 339 N 0.00 1.07 0.23 0.10 4.57 -1.76 -1.74 114.58 117.04 1xnx h GLU 339 Ca -0.00 -0.13 -0.31 0.00 -1.18 0.00 0.00 59.36 57.75 1xnx h GLU 339 Cb 0.29 -0.21 0.04 0.00 -0.16 0.00 0.00 28.75 28.71 1xnx h GLU 339 CO 0.02 0.79 -1.35 -0.07 -1.18 0.00 0.00 179.01 177.23 1xnx h LEU 340 N 1.06 0.77 -1.65 1.64 3.38 -1.52 -3.07 115.31 115.92 1xnx h LEU 340 Ca 0.27 -0.93 0.04 0.00 0.09 0.00 0.00 57.88 57.35 1xnx h LEU 340 Cb 0.04 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 1xnx h LEU 340 CO -0.04 1.65 0.30 -0.61 0.09 0.00 0.00 178.44 179.82 1xnx h GLN 341 N 0.04 0.44 -0.07 1.13 4.15 -1.20 -1.38 115.11 118.22 1xnx h GLN 341 Ca -0.24 -0.03 -0.22 0.00 0.77 0.00 0.00 58.65 58.94 1xnx h GLN 341 Cb 2.06 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 29.66 1xnx h GLN 341 CO 0.25 0.29 -0.84 -0.09 -1.93 0.00 0.00 178.83 176.51 1xnx h ARG 342 N 0.45 0.54 -0.34 1.69 2.43 -1.40 -3.10 114.38 114.66 1xnx h ARG 342 Ca 0.18 -0.49 -0.03 0.00 -0.81 0.00 0.00 59.98 58.83 1xnx h ARG 342 Cb 0.16 0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.81 1xnx h ARG 342 CO -0.04 1.12 0.08 1.25 -1.51 0.00 0.00 179.97 180.86 1xnx h LEU 343 N 0.34 0.45 -4.13 3.80 5.85 -1.19 -2.89 115.31 117.54 1xnx h LEU 343 Ca -0.06 -0.06 -0.29 0.00 0.84 0.00 0.00 57.88 58.30 1xnx h LEU 343 Cb 1.45 -0.12 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 1xnx h LEU 343 CO 0.15 0.46 -0.08 -0.62 -0.34 0.00 0.00 178.44 178.02 1xnx n GLU 344 N -4.35 2.09 0.00 1.25 1.02 -0.65 -4.90 120.64 115.11 1xnx n GLU 344 Ca 0.02 -1.45 0.00 0.00 -0.02 0.00 0.00 57.16 55.71 1xnx n GLU 344 Cb 0.18 -2.00 0.00 0.00 -0.02 0.00 0.00 31.44 29.60 1xnx n GLU 344 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46