#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxl h LYS 110 N 0.00 0.90 -0.75 5.55 1.63 -2.06 0.13 116.57 121.97 2wxl h LYS 110 Ca 0.00 -0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 59.73 2wxl h LYS 110 Cb 0.00 -0.20 -0.03 0.00 -0.60 0.00 0.00 32.23 31.39 2wxl h LYS 110 CO 0.00 0.59 0.39 -0.22 -3.45 0.00 0.00 179.45 176.76 2wxl h LYS 111 N 0.92 1.05 -0.41 1.90 1.63 -2.06 -2.69 116.57 116.92 2wxl h LYS 111 Ca 0.46 -0.14 -0.08 0.00 -0.85 0.00 0.00 60.65 60.04 2wxl h LYS 111 Cb 0.48 -0.20 -0.01 0.00 -0.60 0.00 0.00 32.23 31.90 2wxl h LYS 111 CO -0.22 0.80 -0.06 1.25 -3.45 0.00 0.00 179.45 177.77 2wxl h LEU 112 N 1.04 0.76 -0.46 5.20 5.85 -1.30 -2.18 115.31 124.22 2wxl h LEU 112 Ca 0.26 -0.34 0.05 0.00 0.84 0.00 0.00 57.88 58.69 2wxl h LEU 112 Cb 0.07 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.85 2wxl h LEU 112 CO -0.04 0.92 0.18 0.40 -0.34 0.00 0.00 178.44 179.57 2wxl h ILE 113 N 0.59 0.88 -0.74 4.05 2.04 -0.96 -0.70 117.51 122.67 2wxl h ILE 113 Ca 0.11 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.78 2wxl h ILE 113 Cb 0.57 0.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.10 2wxl h ILE 113 CO 0.03 0.07 0.23 0.78 0.00 0.00 0.00 178.15 179.25 2wxl h ASN 114 N 0.37 1.08 -0.27 1.72 2.35 -1.31 0.16 115.58 119.66 2wxl h ASN 114 Ca 0.21 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.63 2wxl h ASN 114 Cb 0.19 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.27 2wxl h ASN 114 CO -0.20 1.00 -0.26 0.77 -1.65 0.00 0.00 177.43 177.09 2wxl h SER 115 N 1.09 0.79 -0.47 5.81 4.64 -1.09 -1.91 113.55 122.40 2wxl h SER 115 Ca 0.24 -0.30 -0.04 0.00 -0.47 0.00 0.00 61.79 61.22 2wxl h SER 115 Cb 0.31 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.17 2wxl h SER 115 CO -0.01 1.01 0.15 1.56 -0.87 0.00 0.00 176.83 178.67 2wxl h GLN 116 N 0.66 0.74 -0.31 4.77 4.20 -0.46 -1.85 115.11 122.86 2wxl h GLN 116 Ca 0.08 -0.16 0.01 0.00 0.06 0.00 0.00 58.65 58.64 2wxl h GLN 116 Cb 0.78 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.43 2wxl h GLN 116 CO 0.06 0.70 0.19 0.82 -0.67 0.00 0.00 178.83 179.93 2wxl h ILE 117 N 0.63 1.04 -0.48 2.54 2.04 -0.60 0.21 117.51 122.89 2wxl h ILE 117 Ca 0.15 -0.13 0.04 0.00 1.00 0.00 0.00 64.86 65.92 2wxl h ILE 117 Cb 0.27 0.63 -0.04 0.00 -0.74 0.00 0.00 36.82 36.94 2wxl h ILE 117 CO -0.00 0.07 0.24 0.28 0.00 0.00 0.00 178.15 178.74 2wxl h SER 118 N 0.38 0.35 0.17 1.72 0.02 -1.24 -0.28 113.55 114.67 2wxl h SER 118 Ca 0.12 0.03 -0.01 0.00 -0.84 0.00 0.00 61.79 61.09 2wxl h SER 118 Cb -0.01 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.49 2wxl h SER 118 CO -0.05 0.25 -0.08 0.25 -1.14 0.00 0.00 176.83 176.05 2wxl h LEU 119 N 0.48 -0.20 -0.34 5.07 5.85 -1.10 -2.39 115.31 122.69 2wxl h LEU 119 Ca 0.21 -0.07 0.05 0.00 0.84 0.00 0.00 57.88 58.91 2wxl h LEU 119 Cb 0.12 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 2wxl h LEU 119 CO -0.15 -0.05 0.07 0.25 -0.34 0.00 0.00 178.44 178.22 2wxl h LEU 120 N -0.33 0.02 -0.04 2.25 5.85 0.10 -3.02 115.31 120.14 2wxl h LEU 120 Ca -0.02 0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.75 2wxl h LEU 120 Cb 0.26 0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.36 2wxl h LEU 120 CO 0.04 0.05 -0.23 2.30 -0.34 0.00 0.00 178.44 180.26 2wxl n ILE 121 N -5.08 0.00 -2.15 4.05 -5.35 -0.18 -4.92 119.36 105.73 2wxl n ILE 121 Ca 0.01 -0.01 -0.05 0.00 -0.27 0.00 0.00 62.75 62.43 2wxl n ILE 121 Cb 0.15 -0.11 -0.00 0.00 -1.74 0.00 0.00 39.64 37.94 2wxl n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxl n GLY 122 N 1.46 0.20 3.64 3.28 0.00 -1.06 -4.93 105.19 107.79 2wxl n GLY 122 Ca 0.08 -0.66 -0.06 0.00 0.00 0.00 0.00 46.02 45.37 2wxl n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxl s LYS 123 N -4.33 0.63 0.09 1.61 2.20 -0.92 -5.05 119.74 113.98 2wxl s LYS 123 Ca 0.01 1.10 -0.31 0.00 -0.36 0.00 0.00 55.97 56.41 2wxl s LYS 123 Cb -0.00 0.14 -0.07 0.00 -1.51 0.00 0.00 37.83 36.38 2wxl s LYS 123 CO 0.01 -0.13 1.36 0.20 -0.36 0.00 0.00 175.35 176.43 2wxl s GLY 124 N 1.59 2.03 0.40 5.54 0.00 -1.26 -4.36 107.32 111.26 2wxl s GLY 124 Ca -0.10 1.05 0.11 0.00 0.00 0.00 0.00 44.72 45.79 2wxl s GLY 124 CO -0.19 2.32 1.95 1.41 0.00 0.00 0.00 173.10 178.59 2wxl h LEU 125 N 6.96 0.50 -2.00 0.66 3.38 -1.91 0.00 115.31 122.90 2wxl h LEU 125 Ca -0.42 0.01 0.22 0.00 0.09 0.00 0.00 57.88 57.79 2wxl h LEU 125 Cb 1.21 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.83 2wxl h LEU 125 CO 0.86 0.30 0.55 1.12 0.09 0.00 0.00 178.44 181.36 2wxl h HIS 126 N 0.55 0.00 -0.46 1.13 2.07 -1.97 0.58 115.15 117.05 2wxl h HIS 126 Ca 0.32 0.00 -0.06 0.00 -2.85 0.00 0.00 60.37 57.78 2wxl h HIS 126 Cb 0.51 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.47 2wxl h HIS 126 CO -0.00 0.00 0.04 0.93 -3.07 0.00 0.00 177.93 175.83 2wxl h GLU 127 N 0.00 0.73 -0.37 5.12 5.08 -1.37 -1.11 114.58 122.66 2wxl h GLU 127 Ca 0.37 -0.17 -0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2wxl h GLU 127 Cb 1.47 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 30.61 2wxl h GLU 127 CO -0.00 0.72 0.08 0.74 -1.00 0.00 0.00 179.01 179.54 2wxl h PHE 128 N 0.69 0.63 -0.76 4.33 0.04 -1.00 -3.10 116.94 117.78 2wxl h PHE 128 Ca 0.14 -0.08 0.06 0.00 2.80 0.00 0.00 57.97 60.90 2wxl h PHE 128 Cb 0.37 -0.18 -0.06 0.00 2.20 0.00 0.00 35.95 38.28 2wxl h PHE 128 CO 0.02 0.63 0.45 -0.44 -0.60 0.00 0.00 178.31 178.36 2wxl h ASP 129 N 0.45 0.68 0.41 2.17 3.32 -1.29 -2.80 116.42 119.36 2wxl h ASP 129 Ca 0.11 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2wxl h ASP 129 Cb 0.32 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.76 2wxl h ASP 129 CO 0.00 0.43 0.00 -1.20 -1.72 0.00 0.00 179.24 176.76 2wxl n SER 130 N -4.71 0.48 0.19 6.45 7.64 -0.45 -2.13 113.62 121.09 2wxl n SER 130 Ca 0.10 0.66 0.14 0.00 1.01 0.00 0.00 58.87 60.78 2wxl n SER 130 Cb 0.18 -0.74 0.42 0.00 -1.01 0.00 0.00 64.21 63.06 2wxl n SER 130 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2wxl h LEU 131 N 0.00 0.00 -1.74 -3.43 3.38 -1.53 -3.47 115.31 108.52 2wxl h LEU 131 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2wxl h LEU 131 Cb 0.20 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.74 2wxl h LEU 131 CO 0.00 0.00 -0.92 0.54 0.09 0.00 0.00 178.44 178.15 2wxl n ARG 132 N -2.76 -1.64 -3.81 1.13 5.12 -0.90 -4.92 116.66 108.89 2wxl n ARG 132 Ca 0.03 0.20 -0.37 0.00 -1.93 0.00 0.00 57.85 55.78 2wxl n ARG 132 Cb 0.40 -4.20 -0.13 0.00 -1.16 0.00 0.00 32.46 27.36 2wxl n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxl s ASP 133 N -4.01 4.99 0.32 0.55 -1.08 -1.26 -5.01 116.67 111.18 2wxl s ASP 133 Ca 0.27 -0.87 0.06 0.00 -0.52 0.00 0.00 52.55 51.50 2wxl s ASP 133 Cb -0.16 -1.82 0.74 0.00 -1.46 0.00 0.00 42.92 40.22 2wxl s ASP 133 CO 0.98 -0.21 1.82 -0.65 0.52 0.00 0.00 175.17 177.63 2wxl h PRO 134 N 8.17 0.76 -0.37 4.34 0.11 -1.98 0.39 132.00 143.42 2wxl h PRO 134 Ca -0.29 -0.05 -0.06 0.00 0.11 0.00 0.00 66.00 65.71 2wxl h PRO 134 Cb 1.11 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.04 2wxl h PRO 134 CO 0.59 0.50 -0.01 1.49 -0.21 0.00 0.00 178.00 180.37 2wxl h GLU 135 N 0.78 0.66 -0.16 1.05 4.81 -1.98 0.49 114.58 120.22 2wxl h GLU 135 Ca 0.52 -0.21 -0.00 0.00 -0.13 0.00 0.00 59.36 59.53 2wxl h GLU 135 Cb 0.77 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 2wxl h GLU 135 CO -0.29 0.77 0.10 0.28 -0.73 0.00 0.00 179.01 179.14 2wxl h VAL 136 N 0.47 1.07 -0.94 0.32 2.07 -1.87 0.23 116.25 117.61 2wxl h VAL 136 Ca 0.10 -0.19 0.00 0.00 0.82 0.00 0.00 66.70 67.44 2wxl h VAL 136 Cb 0.47 0.91 -0.05 0.00 -1.52 0.00 0.00 31.29 31.11 2wxl h VAL 136 CO 0.02 0.07 0.60 0.78 0.02 0.00 0.00 177.57 179.06 2wxl h ASN 137 N 0.18 1.10 0.18 0.57 2.35 -0.55 -0.66 115.58 118.74 2wxl h ASN 137 Ca 0.06 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.75 2wxl h ASN 137 Cb 0.03 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 38.13 2wxl h ASN 137 CO -0.01 0.82 -0.09 0.44 -1.65 0.00 0.00 177.43 176.94 2wxl h ASP 138 N 1.28 -0.20 -0.66 5.81 3.32 0.06 -2.70 116.42 123.33 2wxl h ASP 138 Ca 0.34 -0.21 0.14 0.00 0.02 0.00 0.00 57.03 57.32 2wxl h ASP 138 Cb -0.11 0.05 -0.11 0.00 0.22 0.00 0.00 39.33 39.38 2wxl h ASP 138 CO -0.07 0.11 0.00 0.15 -1.72 0.00 0.00 179.24 177.71 2wxl h PHE 139 N -0.52 -0.04 -0.49 4.55 3.57 -0.71 -1.68 116.94 121.61 2wxl h PHE 139 Ca -0.02 0.05 -0.12 0.00 3.53 0.00 0.00 57.97 61.41 2wxl h PHE 139 Cb 0.40 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.25 2wxl h PHE 139 CO 0.02 -0.18 -0.15 0.00 -2.23 0.00 0.00 178.31 175.76 2wxl h ARG 140 N 0.12 0.97 -0.05 1.11 3.08 -1.05 -1.18 114.38 117.38 2wxl h ARG 140 Ca 0.35 -0.39 -0.11 0.00 0.07 0.00 0.00 59.98 59.90 2wxl h ARG 140 Cb 0.58 -0.05 0.01 0.00 0.08 0.00 0.00 29.97 30.59 2wxl h ARG 140 CO -0.57 1.06 -0.41 1.79 -1.07 0.00 0.00 179.97 180.77 2wxl h THR 141 N 0.82 1.43 -0.05 2.04 1.35 -1.20 -2.00 112.91 115.30 2wxl h THR 141 Ca 0.12 -1.85 0.01 0.00 -0.55 0.00 0.00 66.41 64.14 2wxl h THR 141 Cb 0.72 2.41 -0.01 0.00 -1.73 0.00 0.00 68.15 69.54 2wxl h THR 141 CO 0.06 0.54 0.01 0.50 -0.25 0.00 0.00 175.52 176.37 2wxl h LYS 142 N -0.12 0.03 -0.26 4.72 3.64 -1.30 -2.39 116.57 120.89 2wxl h LYS 142 Ca -0.04 -0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.19 2wxl h LYS 142 Cb 1.09 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.89 2wxl h LYS 142 CO 0.08 0.02 -0.45 0.52 -2.27 0.00 0.00 179.45 177.36 2wxl h MET 143 N 0.03 0.65 -0.95 1.90 2.86 -1.31 -1.17 114.93 116.95 2wxl h MET 143 Ca 0.02 -0.36 0.05 0.00 -2.06 0.00 0.00 59.70 57.35 2wxl h MET 143 Cb 0.02 0.02 -0.06 0.00 0.06 0.00 0.00 31.60 31.64 2wxl h MET 143 CO -0.03 0.97 0.61 -0.09 1.06 0.00 0.00 176.91 179.43 2wxl h ARG 144 N 0.52 1.12 0.33 1.72 2.43 -1.36 -0.43 114.38 118.71 2wxl h ARG 144 Ca 0.03 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.12 2wxl h ARG 144 Cb 0.98 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 2wxl h ARG 144 CO 0.09 0.74 -0.16 0.37 -1.51 0.00 0.00 179.97 179.50 2wxl h GLN 145 N 1.15 -0.42 -0.80 0.20 4.15 -0.89 -1.23 115.11 117.27 2wxl h GLN 145 Ca 0.39 0.03 0.18 0.00 0.77 0.00 0.00 58.65 60.02 2wxl h GLN 145 Cb 0.07 0.10 -0.12 0.00 0.21 0.00 0.00 27.48 27.74 2wxl h GLN 145 CO -0.14 -0.15 0.24 0.35 -1.93 0.00 0.00 178.83 177.19 2wxl h PHE 146 N -0.66 0.38 -0.04 3.99 3.57 -1.12 -1.27 116.94 121.78 2wxl h PHE 146 Ca -0.04 0.04 -0.23 0.00 3.53 0.00 0.00 57.97 61.27 2wxl h PHE 146 Cb 0.46 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.17 2wxl h PHE 146 CO -0.00 -0.09 -0.91 0.00 -2.23 0.00 0.00 178.31 175.08 2wxl h GLU 148 N 0.35 0.98 -0.64 0.00 5.08 -0.99 -2.27 114.58 117.09 2wxl h GLU 148 Ca -0.08 -0.24 0.04 0.00 -1.00 0.00 0.00 59.36 58.09 2wxl h GLU 148 Cb 1.54 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.61 2wxl h GLU 148 CO 0.17 0.90 0.37 0.93 -1.00 0.00 0.00 179.01 180.38 2wxl h GLU 149 N 0.93 0.68 -0.95 2.33 5.08 -1.16 -1.41 114.58 120.09 2wxl h GLU 149 Ca 0.19 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.53 2wxl h GLU 149 Cb 0.38 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.43 2wxl h GLU 149 CO 0.01 0.45 0.63 0.00 -1.00 0.00 0.00 179.01 179.10 2wxl h ALA 150 N 1.31 1.35 -0.42 3.43 0.00 -1.09 -2.20 119.26 121.65 2wxl h ALA 150 Ca 0.27 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 54.98 2wxl h ALA 150 Cb 0.11 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 2wxl h ALA 150 CO -0.15 0.58 -0.30 0.00 0.00 0.00 0.00 179.25 179.39 2wxl h ALA 151 N 1.42 0.60 -0.12 0.00 0.00 -1.07 -1.95 119.26 118.16 2wxl h ALA 151 Ca 0.36 -0.42 0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wxl h ALA 151 Cb -0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.52 2wxl h ALA 151 CO -0.09 0.65 -0.17 0.00 0.00 0.00 0.00 179.25 179.64 2wxl h ALA 152 N 0.81 -0.10 -0.82 0.00 0.00 -0.93 -2.26 119.26 115.95 2wxl h ALA 152 Ca 0.08 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.17 2wxl h ALA 152 Cb 0.89 0.33 -0.09 0.00 0.00 0.00 0.00 17.79 18.91 2wxl h ALA 152 CO 0.08 -0.62 0.40 1.25 0.00 0.00 0.00 179.25 180.36 2wxl h HIS 153 N -0.21 0.71 -0.17 0.00 6.17 -1.29 -1.69 115.15 118.66 2wxl h HIS 153 Ca 0.09 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 61.12 2wxl h HIS 153 Cb 0.35 -0.19 -0.01 0.00 2.52 0.00 0.00 27.41 30.07 2wxl h HIS 153 CO -0.27 0.17 -0.28 -0.09 0.71 0.00 0.00 177.93 178.16 2wxl h ARG 154 N 0.59 0.33 0.00 5.26 2.43 -0.83 -3.17 114.38 118.99 2wxl h ARG 154 Ca 0.44 -0.12 0.00 0.00 -0.81 0.00 0.00 59.98 59.49 2wxl h ARG 154 Cb 0.61 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.14 2wxl h ARG 154 CO -0.36 0.58 0.00 1.96 -1.51 0.00 0.00 179.97 180.65 2wxl h GLN 155 N 0.29 0.00 -0.25 0.20 1.08 -0.75 -2.59 115.11 113.09 2wxl h GLN 155 Ca 0.04 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.24 2wxl h GLN 155 Cb 0.65 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.08 2wxl h GLN 155 CO 0.05 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.93 2wxl n GLN 156 N -2.69 2.00 -1.63 1.46 10.64 -1.20 -4.91 117.38 121.04 2wxl n GLN 156 Ca 0.02 -1.81 -0.40 0.00 -1.83 0.00 0.00 57.00 52.98 2wxl n GLN 156 Cb 0.31 -1.31 0.03 0.00 -0.86 0.00 0.00 30.24 28.41 2wxl n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxl n LEU 157 N 0.78 3.39 -4.69 2.61 4.77 -0.98 -4.96 117.00 117.92 2wxl n LEU 157 Ca 0.12 0.96 -0.32 0.00 -0.03 0.00 0.00 56.01 56.74 2wxl n LEU 157 Cb 0.42 -1.40 0.14 0.00 -2.33 0.00 0.00 43.42 40.25 2wxl n LEU 157 CO 0.09 -1.43 0.72 -0.83 -1.33 0.00 0.00 177.39 174.61 2wxl s GLY 158 N -0.89 1.89 0.28 -0.72 0.00 -1.26 -4.66 107.32 101.97 2wxl s GLY 158 Ca 0.68 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 46.05 2wxl s GLY 158 CO 0.53 1.09 1.90 0.11 0.00 0.00 0.00 173.10 176.73 2wxl h TRP 159 N -1.38 1.00 -0.60 1.90 5.08 -1.94 0.47 115.95 120.48 2wxl h TRP 159 Ca -0.44 -0.02 -0.10 0.00 1.08 0.00 0.00 58.89 59.40 2wxl h TRP 159 Cb 1.28 -0.32 -0.02 0.00 -3.00 0.00 0.00 29.16 27.10 2wxl h TRP 159 CO 0.49 0.70 -0.01 0.28 -1.28 0.00 0.00 178.44 178.63 2wxl h VAL 160 N 1.02 1.27 -0.66 0.12 2.07 -1.98 -2.09 116.25 116.00 2wxl h VAL 160 Ca 0.26 -1.17 -0.03 0.00 0.82 0.00 0.00 66.70 66.57 2wxl h VAL 160 Cb 0.05 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2wxl h VAL 160 CO -0.04 0.42 0.28 -0.33 0.02 0.00 0.00 177.57 177.92 2wxl h GLU 161 N 0.97 0.98 -0.41 1.57 5.08 -1.69 -0.78 114.58 120.30 2wxl h GLU 161 Ca 0.17 -0.17 0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2wxl h GLU 161 Cb 0.58 -0.16 -0.05 0.00 0.50 0.00 0.00 28.75 29.62 2wxl h GLU 161 CO 0.03 0.81 0.15 2.35 -1.00 0.00 0.00 179.01 181.35 2wxl h TRP 162 N 0.93 0.26 -0.71 4.33 2.91 0.01 -1.37 115.95 122.31 2wxl h TRP 162 Ca 0.22 0.02 0.03 0.00 1.13 0.00 0.00 58.89 60.29 2wxl h TRP 162 Cb 0.18 -0.06 -0.04 0.00 -0.51 0.00 0.00 29.16 28.73 2wxl h TRP 162 CO 0.01 0.10 0.45 -0.07 -1.03 0.00 0.00 178.44 177.90 2wxl h LEU 163 N 0.31 0.75 -1.27 0.65 3.38 -1.09 0.12 115.31 118.16 2wxl h LEU 163 Ca 0.19 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wxl h LEU 163 Cb 0.17 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 2wxl h LEU 163 CO -0.19 0.53 0.40 1.56 0.09 0.00 0.00 178.44 180.82 2wxl h GLN 164 N 0.89 0.89 -0.09 1.13 4.20 -0.59 0.58 115.11 122.14 2wxl h GLN 164 Ca 0.28 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.86 2wxl h GLN 164 Cb -0.01 -0.19 0.00 0.00 0.30 0.00 0.00 27.48 27.58 2wxl h GLN 164 CO -0.10 0.63 -0.17 -0.92 -0.67 0.00 0.00 178.83 177.60 2wxl h TYR 165 N 0.91 0.33 0.10 2.96 3.20 -0.61 -3.23 116.97 120.63 2wxl h TYR 165 Ca 0.24 -0.12 -0.32 0.00 3.14 0.00 0.00 58.73 61.67 2wxl h TYR 165 Cb -0.04 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.15 2wxl h TYR 165 CO 0.00 0.77 -1.72 1.03 -1.64 0.00 0.00 178.16 176.60 2wxl h SER 166 N -0.20 0.33 -2.07 -2.11 0.87 -0.47 -0.16 113.55 109.73 2wxl h SER 166 Ca 0.00 -0.57 -0.57 0.00 -1.23 0.00 0.00 61.79 59.42 2wxl h SER 166 Cb 0.75 -0.11 -0.40 0.00 -0.44 0.00 0.00 62.40 62.20 2wxl h SER 166 CO 0.04 1.50 -0.92 0.49 -0.53 0.00 0.00 176.83 177.41 2wxl n PHE 167 N -3.38 1.19 -1.69 2.24 3.72 0.20 -4.72 117.46 115.02 2wxl n PHE 167 Ca -0.22 -3.79 -0.40 0.00 -0.05 0.00 0.00 57.45 52.99 2wxl n PHE 167 Cb 1.05 -0.43 0.03 0.00 -0.94 0.00 0.00 39.48 39.18 2wxl n PHE 167 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wxl n PRO 168 N 1.12 1.62 -1.96 -1.08 -0.02 -1.22 -4.55 135.00 128.91 2wxl n PRO 168 Ca 0.25 0.59 -0.37 0.00 -2.02 0.00 0.00 63.50 61.94 2wxl n PRO 168 Cb 0.49 -2.36 0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2wxl n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wxl s LEU 169 N -2.09 3.84 -0.48 2.45 1.43 -1.26 -4.87 118.68 117.70 2wxl s LEU 169 Ca 0.67 2.55 -0.02 0.00 -1.03 0.00 0.00 54.13 56.30 2wxl s LEU 169 Cb -0.47 -4.35 0.13 0.00 0.03 0.00 0.00 46.19 41.52 2wxl s LEU 169 CO 0.54 -1.42 0.27 -1.10 0.23 0.00 0.00 176.35 174.87 2wxl s GLN 170 N -2.96 2.13 0.15 1.70 -0.21 -1.26 -5.08 119.66 114.13 2wxl s GLN 170 Ca 0.71 -2.10 0.06 0.00 0.02 0.00 0.00 55.36 54.05 2wxl s GLN 170 Cb -0.35 -3.58 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 2wxl s GLN 170 CO 0.40 -1.10 0.06 -0.51 -2.12 0.00 0.00 175.29 172.03 2wxl s LEU 171 N 0.65 3.56 0.44 2.90 1.43 -1.26 -0.51 118.68 125.89 2wxl s LEU 171 Ca 0.12 -0.24 -0.24 0.00 -1.03 0.00 0.00 54.13 52.74 2wxl s LEU 171 Cb -0.22 -2.20 -0.08 0.00 0.03 0.00 0.00 46.19 43.72 2wxl s LEU 171 CO -0.04 0.10 1.22 -1.61 0.23 0.00 0.00 176.35 176.25 2wxl s GLU 172 N -2.89 3.83 0.00 1.70 0.41 -0.15 -4.65 118.70 116.95 2wxl s GLU 172 Ca 0.29 1.93 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 2wxl s GLU 172 Cb -0.10 -2.55 0.00 0.00 -1.78 0.00 0.00 34.13 29.70 2wxl s GLU 172 CO 0.21 -0.54 0.48 -2.30 -0.49 0.00 0.00 175.26 172.61 2wxl n PRO 173 N -0.23 0.00 0.00 0.39 -0.02 -1.26 -5.02 135.00 128.85 2wxl n PRO 173 Ca 0.06 0.11 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2wxl n PRO 173 Cb 0.46 -1.57 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wxl n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxl n ASN 187 N -0.98 0.00 -4.27 2.55 2.85 -1.26 -4.76 115.26 109.40 2wxl n ASN 187 Ca 0.00 0.00 -0.24 0.00 -0.11 0.00 0.00 54.58 54.23 2wxl n ASN 187 Cb 0.07 0.00 -0.13 0.00 1.24 0.00 0.00 39.78 40.96 2wxl n ASN 187 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2wxl s ARG 188 N 0.00 1.14 0.39 1.20 3.52 -1.26 -5.00 118.95 118.93 2wxl s ARG 188 Ca 0.00 -1.09 -0.24 0.00 -0.13 0.00 0.00 55.73 54.27 2wxl s ARG 188 Cb 0.00 -1.35 -0.10 0.00 -1.56 0.00 0.00 34.95 31.94 2wxl s ARG 188 CO 0.00 0.32 0.98 0.00 -0.81 0.00 0.00 175.30 175.79 2wxl s ALA 189 N -1.10 3.10 -0.20 6.12 0.00 -1.26 -1.59 121.76 126.83 2wxl s ALA 189 Ca 0.06 0.54 -0.18 0.00 0.00 0.00 0.00 51.96 52.38 2wxl s ALA 189 Cb -0.10 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.87 2wxl s ALA 189 CO 0.04 0.02 0.53 -0.48 0.00 0.00 0.00 175.76 175.87 2wxl s LEU 190 N -2.64 -0.04 0.06 0.00 2.34 0.67 -4.83 118.68 114.24 2wxl s LEU 190 Ca 0.57 1.07 -0.20 0.00 0.06 0.00 0.00 54.13 55.63 2wxl s LEU 190 Cb -0.17 1.82 -0.06 0.00 -0.56 0.00 0.00 46.19 47.22 2wxl s LEU 190 CO 0.21 -0.19 0.60 -0.76 -1.06 0.00 0.00 176.35 175.16 2wxl s LEU 191 N 0.32 4.50 -0.01 1.48 1.43 -1.26 -0.95 118.68 124.19 2wxl s LEU 191 Ca -0.00 1.28 0.01 0.00 -1.03 0.00 0.00 54.13 54.39 2wxl s LEU 191 Cb -0.04 -2.95 0.00 0.00 0.03 0.00 0.00 46.19 43.23 2wxl s LEU 191 CO 0.00 0.22 -0.03 -0.69 0.23 0.00 0.00 176.35 176.08 2wxl s VAL 192 N -0.85 0.27 -0.19 -1.59 1.01 -0.39 -3.80 120.40 114.87 2wxl s VAL 192 Ca 0.30 -0.12 -0.08 0.00 0.00 0.00 0.00 61.98 62.09 2wxl s VAL 192 Cb -0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 35.89 2wxl s VAL 192 CO 0.19 0.09 0.07 0.21 0.00 0.00 0.00 175.10 175.67 2wxl s ASN 193 N 0.08 5.68 -0.04 3.32 3.84 0.18 -0.99 114.94 127.03 2wxl s ASN 193 Ca -0.00 0.09 0.03 0.00 0.21 0.00 0.00 52.86 53.18 2wxl s ASN 193 Cb -0.03 -1.98 0.01 0.00 -0.55 0.00 0.00 41.25 38.69 2wxl s ASN 193 CO -0.00 0.16 -0.11 -0.69 -2.79 0.00 0.00 177.10 173.67 2wxl s VAL 194 N 0.44 0.96 0.25 -5.21 1.01 0.48 -0.34 120.40 118.00 2wxl s VAL 194 Ca 0.04 -0.43 0.04 0.00 0.00 0.00 0.00 61.98 61.63 2wxl s VAL 194 Cb -0.12 -0.86 -0.05 0.00 0.00 0.00 0.00 36.38 35.34 2wxl s VAL 194 CO 0.00 0.30 -0.00 -1.59 0.00 0.00 0.00 175.10 173.81 2wxl s LYS 195 N 0.34 1.43 0.16 2.72 -2.85 -0.84 -0.60 119.74 120.09 2wxl s LYS 195 Ca -0.07 -1.73 0.03 0.00 -1.00 0.00 0.00 55.97 53.20 2wxl s LYS 195 Cb -0.11 -0.75 -0.04 0.00 -2.06 0.00 0.00 37.83 34.87 2wxl s LYS 195 CO 0.01 -0.09 0.26 -0.06 0.10 0.00 0.00 175.35 175.58 2wxl s PHE 196 N -3.33 3.43 0.11 1.78 0.08 -1.26 -0.31 117.98 118.48 2wxl s PHE 196 Ca 0.30 0.09 -0.22 0.00 0.12 0.00 0.00 56.93 57.22 2wxl s PHE 196 Cb 0.06 -1.64 -0.05 0.00 -0.57 0.00 0.00 43.02 40.82 2wxl s PHE 196 CO 0.10 0.51 1.38 1.49 -0.10 0.00 0.00 175.22 178.61 2wxl h GLU 197 N 2.14 -0.01 -2.13 0.44 4.81 -1.84 -2.88 114.58 115.10 2wxl h GLU 197 Ca -0.48 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 57.96 2wxl h GLU 197 Cb 1.20 0.00 -0.27 0.00 0.63 0.00 0.00 28.75 30.31 2wxl h GLU 197 CO 0.67 -0.01 1.05 0.41 -0.73 0.00 0.00 179.01 180.41 2wxl n GLY 198 N -1.18 5.85 3.19 1.92 0.00 -1.26 -4.96 105.19 108.75 2wxl n GLY 198 Ca 0.01 -2.53 -0.13 0.00 0.00 0.00 0.00 46.02 43.37 2wxl n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxl s SER 199 N -1.21 -0.27 0.14 1.61 0.15 -1.09 -5.02 113.70 108.01 2wxl s SER 199 Ca 0.45 0.46 0.06 0.00 0.70 0.00 0.00 55.95 57.62 2wxl s SER 199 Cb 0.31 0.53 -0.13 0.00 -1.71 0.00 0.00 66.02 65.02 2wxl s SER 199 CO -0.27 -0.19 1.31 -0.33 1.20 0.00 0.00 173.24 174.97 2wxl h GLU 200 N 5.24 0.05 -6.50 5.44 3.07 -1.93 -3.44 114.58 116.51 2wxl h GLU 200 Ca -0.27 -0.08 -0.53 0.00 -0.50 0.00 0.00 59.36 57.98 2wxl h GLU 200 Cb 1.19 0.03 0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2wxl h GLU 200 CO 0.34 0.98 0.60 -1.21 -1.40 0.00 0.00 179.01 178.31 2wxl s GLU 201 N -2.86 4.41 0.16 2.33 2.02 -1.26 -5.03 118.70 118.47 2wxl s GLU 201 Ca -0.00 1.84 0.05 0.00 0.02 0.00 0.00 54.97 56.88 2wxl s GLU 201 Cb 0.10 -3.32 -0.05 0.00 0.10 0.00 0.00 34.13 30.96 2wxl s GLU 201 CO 0.82 -0.29 -0.11 -1.54 0.02 0.00 0.00 175.26 174.16 2wxl s SER 202 N 1.05 2.00 -0.01 -0.19 1.04 -1.26 -4.28 113.70 112.04 2wxl s SER 202 Ca 0.60 -1.02 0.04 0.00 0.48 0.00 0.00 55.95 56.05 2wxl s SER 202 Cb -0.31 -0.04 -0.01 0.00 0.10 0.00 0.00 66.02 65.75 2wxl s SER 202 CO 0.30 -0.29 -0.14 -0.36 0.98 0.00 0.00 173.24 173.73 2wxl s PHE 203 N -3.24 1.23 -0.22 5.02 0.08 0.23 -4.96 117.98 116.12 2wxl s PHE 203 Ca 0.18 -0.24 -0.08 0.00 0.12 0.00 0.00 56.93 56.92 2wxl s PHE 203 Cb 0.02 -0.79 -0.04 0.00 -0.57 0.00 0.00 43.02 41.64 2wxl s PHE 203 CO 0.02 -0.02 0.09 0.99 -0.10 0.00 0.00 175.22 176.20 2wxl s THR 204 N -0.35 4.74 0.05 0.64 2.01 -1.26 -0.39 115.64 121.09 2wxl s THR 204 Ca 0.05 -0.04 0.09 0.00 0.31 0.00 0.00 61.69 62.10 2wxl s THR 204 Cb -0.05 -3.18 -0.03 0.00 0.01 0.00 0.00 72.50 69.24 2wxl s THR 204 CO -0.00 0.39 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.73 2wxl s PHE 205 N 0.95 2.42 -0.13 4.92 0.08 -0.16 -4.95 117.98 121.12 2wxl s PHE 205 Ca 0.05 -0.34 -0.20 0.00 0.12 0.00 0.00 56.93 56.55 2wxl s PHE 205 Cb -0.14 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.87 2wxl s PHE 205 CO 0.03 0.20 0.56 -1.14 -0.10 0.00 0.00 175.22 174.77 2wxl s GLN 206 N -1.40 4.33 0.36 0.44 0.74 -1.26 -1.27 119.66 121.60 2wxl s GLN 206 Ca 0.13 0.58 0.04 0.00 0.05 0.00 0.00 55.36 56.16 2wxl s GLN 206 Cb -0.10 -3.48 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 2wxl s GLN 206 CO 0.04 0.03 0.15 0.14 -0.55 0.00 0.00 175.29 175.10 2wxl s VAL 207 N 1.01 0.50 0.02 1.34 -7.23 -0.13 -4.96 120.40 110.95 2wxl s VAL 207 Ca 0.29 -2.00 -0.01 0.00 -1.81 0.00 0.00 61.98 58.45 2wxl s VAL 207 Cb -0.16 -2.44 -0.04 0.00 0.56 0.00 0.00 36.38 34.30 2wxl s VAL 207 CO 0.12 0.00 0.16 -0.55 -0.31 0.00 0.00 175.10 174.52 2wxl s SER 208 N -3.51 6.14 0.61 4.85 0.15 -1.26 -0.24 113.70 120.45 2wxl s SER 208 Ca 0.30 0.25 0.30 0.00 0.70 0.00 0.00 55.95 57.50 2wxl s SER 208 Cb 0.04 -1.86 1.63 0.00 -1.71 0.00 0.00 66.02 64.11 2wxl s SER 208 CO 0.17 0.23 2.00 0.71 1.20 0.00 0.00 173.24 177.55 2wxl h THR 209 N 2.66 0.30 0.00 6.45 1.35 -1.62 -1.45 112.91 120.61 2wxl h THR 209 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2wxl h THR 209 Cb 1.18 0.73 0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2wxl h THR 209 CO 0.69 0.00 -0.43 0.07 -0.25 0.00 0.00 175.52 175.60 2wxl h LYS 210 N 0.00 0.00 -7.08 4.72 2.10 -1.94 -2.39 116.57 111.98 2wxl h LYS 210 Ca 0.10 0.00 -0.54 0.00 -2.00 0.00 0.00 60.65 58.21 2wxl h LYS 210 Cb 0.74 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 32.20 2wxl h LYS 210 CO -0.00 0.00 0.52 -0.51 -2.00 0.00 0.00 179.45 177.46 2wxl s ASP 211 N -4.53 5.06 0.54 7.07 1.01 -0.55 -4.52 116.67 120.75 2wxl s ASP 211 Ca 0.07 2.56 -0.09 0.00 0.71 0.00 0.00 52.55 55.80 2wxl s ASP 211 Cb 0.12 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2wxl s ASP 211 CO 0.69 -1.70 0.91 -0.04 0.21 0.00 0.00 175.17 175.24 2wxl s MET 212 N -3.20 3.62 0.41 8.23 -1.94 -1.26 -0.82 119.30 124.34 2wxl s MET 212 Ca 0.77 0.53 0.12 0.00 -1.71 0.00 0.00 55.69 55.40 2wxl s MET 212 Cb -0.35 -2.23 0.96 0.00 2.01 0.00 0.00 34.83 35.22 2wxl s MET 212 CO 0.39 -0.35 1.94 -1.35 -0.01 0.00 0.00 175.02 175.64 2wxl h PRO 213 N 0.14 0.49 -0.41 2.03 0.11 -1.80 -2.33 132.00 130.23 2wxl h PRO 213 Ca -0.46 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 65.69 2wxl h PRO 213 Cb 1.19 -0.11 -0.06 0.00 0.11 0.00 0.00 31.00 32.14 2wxl h PRO 213 CO 0.62 0.33 0.08 1.25 -0.21 0.00 0.00 178.00 180.06 2wxl h LEU 214 N 0.51 -0.00 -0.83 2.35 5.85 -1.94 0.26 115.31 121.51 2wxl h LEU 214 Ca 0.33 0.07 0.01 0.00 0.84 0.00 0.00 57.88 59.13 2wxl h LEU 214 Cb 0.61 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.70 2wxl h LEU 214 CO -0.11 0.03 0.55 0.00 -0.34 0.00 0.00 178.44 178.57 2wxl h ALA 215 N 1.31 1.05 -0.30 1.25 0.00 -1.81 0.70 119.26 121.47 2wxl h ALA 215 Ca 0.20 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 2wxl h ALA 215 Cb 0.25 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 2wxl h ALA 215 CO -0.27 0.45 0.15 1.25 0.00 0.00 0.00 179.25 180.83 2wxl h LEU 216 N 1.12 0.38 -1.53 0.00 6.46 -1.19 -2.33 115.31 118.22 2wxl h LEU 216 Ca 0.31 -0.11 -0.04 0.00 -0.12 0.00 0.00 57.88 57.92 2wxl h LEU 216 Cb -0.12 -0.10 -0.01 0.00 -0.73 0.00 0.00 40.66 39.70 2wxl h LEU 216 CO -0.07 0.38 -0.09 0.24 -0.62 0.00 0.00 178.44 178.28 2wxl h MET 217 N 0.35 0.19 -0.31 1.25 2.86 0.01 -1.94 114.93 117.33 2wxl h MET 217 Ca 0.10 -0.04 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2wxl h MET 217 Cb 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.72 2wxl h MET 217 CO -0.01 0.30 0.11 0.00 1.06 0.00 0.00 176.91 178.36 2wxl h ALA 218 N 1.73 0.41 -0.24 6.32 0.00 -0.52 -2.01 119.26 124.94 2wxl h ALA 218 Ca 0.04 -0.14 0.05 0.00 0.00 0.00 0.00 54.91 54.86 2wxl h ALA 218 Cb 0.29 -0.12 -0.04 0.00 0.00 0.00 0.00 17.79 17.91 2wxl h ALA 218 CO 0.02 0.02 -0.04 0.00 0.00 0.00 0.00 179.25 179.24 2wxl h ALA 220 N 1.23 0.91 -0.24 0.00 0.00 -1.22 0.60 119.26 120.54 2wxl h ALA 220 Ca 0.12 0.01 -0.18 0.00 0.00 0.00 0.00 54.91 54.85 2wxl h ALA 220 Cb 0.17 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.81 2wxl h ALA 220 CO -0.23 0.09 -0.58 -0.07 0.00 0.00 0.00 179.25 178.45 2wxl h LEU 221 N 0.73 0.87 -0.96 0.00 3.38 -1.16 -0.66 115.31 117.51 2wxl h LEU 221 Ca 0.30 -0.48 -0.05 0.00 0.09 0.00 0.00 57.88 57.74 2wxl h LEU 221 Cb 0.16 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2wxl h LEU 221 CO -0.17 1.26 0.23 0.03 0.09 0.00 0.00 178.44 179.88 2wxl h ARG 222 N 0.58 0.99 -0.21 1.13 3.08 -0.71 -1.02 114.38 118.22 2wxl h ARG 222 Ca 0.00 -0.18 -0.05 0.00 0.07 0.00 0.00 59.98 59.83 2wxl h ARG 222 Cb 1.17 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 31.06 2wxl h ARG 222 CO 0.12 0.83 -0.05 -0.22 -1.07 0.00 0.00 179.97 179.58 2wxl h LYS 223 N 0.96 0.40 -0.78 0.04 3.11 -0.73 -2.87 116.57 116.71 2wxl h LYS 223 Ca 0.22 -0.16 0.08 0.00 -2.81 0.00 0.00 60.65 57.98 2wxl h LYS 223 Cb 0.24 -0.02 -0.07 0.00 -1.00 0.00 0.00 32.23 31.38 2wxl h LYS 223 CO -0.01 0.65 0.44 -0.22 -2.81 0.00 0.00 179.45 177.50 2wxl h LYS 224 N 0.13 0.75 -0.00 1.90 3.64 -0.90 -2.55 116.57 119.54 2wxl h LYS 224 Ca 0.05 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.28 2wxl h LYS 224 Cb 0.51 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 2wxl h LYS 224 CO 0.02 0.50 -0.50 0.00 -2.27 0.00 0.00 179.45 177.20 2wxl h ALA 225 N 1.42 1.18 -0.03 5.00 0.00 -1.17 0.03 119.26 125.69 2wxl h ALA 225 Ca 0.36 -0.45 -0.23 0.00 0.00 0.00 0.00 54.91 54.59 2wxl h ALA 225 Cb 0.28 -0.08 0.02 0.00 0.00 0.00 0.00 17.79 18.01 2wxl h ALA 225 CO -0.22 0.62 -0.88 1.79 0.00 0.00 0.00 179.25 180.56 2wxl h THR 226 N 0.01 1.32 0.43 0.00 1.35 -1.30 1.11 112.91 115.82 2wxl h THR 226 Ca -0.00 -2.14 -0.02 0.00 -0.55 0.00 0.00 66.41 63.69 2wxl h THR 226 Cb 0.88 2.36 0.00 0.00 -1.73 0.00 0.00 68.15 69.67 2wxl h THR 226 CO 0.06 0.66 -0.21 0.58 -0.25 0.00 0.00 175.52 176.37 2wxl h VAL 227 N 0.29 0.58 0.00 6.82 2.07 -1.37 -2.99 116.25 121.64 2wxl h VAL 227 Ca -0.10 -0.08 0.00 0.00 0.82 0.00 0.00 66.70 67.34 2wxl h VAL 227 Cb 1.54 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2wxl h VAL 227 CO 0.17 0.01 0.00 0.49 0.02 0.00 0.00 177.57 178.27 2wxl n PHE 228 N -5.32 0.00 -1.50 1.57 3.72 -0.01 -4.90 117.46 111.01 2wxl n PHE 228 Ca -0.11 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.15 2wxl n PHE 228 Cb 0.25 0.00 -0.05 0.00 -0.94 0.00 0.00 39.48 38.74 2wxl n PHE 228 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2wxl n ARG 229 N -0.78 -0.96 -1.56 -1.08 5.12 0.28 -5.01 116.66 112.67 2wxl n ARG 229 Ca 0.13 0.93 0.00 0.00 -1.93 0.00 0.00 57.85 56.99 2wxl n ARG 229 Cb 0.06 -5.03 0.00 0.00 -1.16 0.00 0.00 32.46 26.33 2wxl n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxl n GLN 230 N -2.57 -3.81 -3.68 5.56 7.27 0.36 -4.97 117.38 115.54 2wxl n GLN 230 Ca -0.14 2.89 -0.21 0.00 0.07 0.00 0.00 57.00 59.61 2wxl n GLN 230 Cb 0.47 -3.50 -0.18 0.00 2.41 0.00 0.00 30.24 29.44 2wxl n GLN 230 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2wxl s GLN 235 N -4.23 0.02 0.42 3.69 0.74 -1.26 -5.12 119.66 113.92 2wxl s GLN 235 Ca 0.00 0.30 0.12 0.00 0.05 0.00 0.00 55.36 55.83 2wxl s GLN 235 Cb 0.00 -0.69 0.96 0.00 1.10 0.00 0.00 33.01 34.38 2wxl s GLN 235 CO 0.00 -0.36 1.99 -1.35 -0.55 0.00 0.00 175.29 175.02 2wxl h PRO 236 N 8.42 0.47 0.00 1.67 0.11 -1.92 -1.37 132.00 139.38 2wxl h PRO 236 Ca -0.13 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.95 2wxl h PRO 236 Cb 1.12 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.13 2wxl h PRO 236 CO 0.18 0.31 0.00 0.39 -0.21 0.00 0.00 178.00 178.67 2wxl n GLU 237 N -4.47 0.03 0.00 1.05 4.71 -1.26 -1.50 120.64 119.20 2wxl n GLU 237 Ca 0.09 0.43 0.15 0.00 -0.01 0.00 0.00 57.16 57.81 2wxl n GLU 237 Cb 0.30 -1.57 0.68 0.00 -1.01 0.00 0.00 31.44 29.84 2wxl n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxl n GLU 238 N -1.62 0.71 -4.32 3.49 -0.58 -0.52 -4.94 120.64 112.86 2wxl n GLU 238 Ca 0.01 -0.18 -0.20 0.00 -0.42 0.00 0.00 57.16 56.37 2wxl n GLU 238 Cb 0.07 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.34 2wxl n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxl s TYR 239 N -2.42 1.71 0.21 -0.32 2.02 -0.56 -0.46 117.35 117.54 2wxl s TYR 239 Ca 0.32 -0.51 0.09 0.00 -0.37 0.00 0.00 57.07 56.60 2wxl s TYR 239 Cb 0.20 -0.85 -0.05 0.00 -0.40 0.00 0.00 41.96 40.87 2wxl s TYR 239 CO 0.45 0.30 -0.16 0.00 -1.57 0.00 0.00 175.55 174.57 2wxl s ALA 240 N -2.25 2.16 -0.31 3.71 0.00 0.10 -4.96 121.76 120.22 2wxl s ALA 240 Ca 0.16 -1.68 -0.10 0.00 0.00 0.00 0.00 51.96 50.34 2wxl s ALA 240 Cb -0.05 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.93 2wxl s ALA 240 CO 0.06 0.14 0.15 -0.51 0.00 0.00 0.00 175.76 175.60 2wxl s LEU 241 N -3.25 4.09 0.14 0.00 1.43 -0.89 -0.00 118.68 120.19 2wxl s LEU 241 Ca 0.23 -0.48 -0.24 0.00 -1.03 0.00 0.00 54.13 52.61 2wxl s LEU 241 Cb -0.02 -2.01 -0.08 0.00 0.03 0.00 0.00 46.19 44.11 2wxl s LEU 241 CO 0.08 -0.18 0.73 -1.58 0.23 0.00 0.00 176.35 175.63 2wxl s GLN 242 N 1.62 4.49 -0.01 1.70 0.74 0.38 0.77 119.66 129.36 2wxl s GLN 242 Ca 0.05 1.06 -0.30 0.00 0.05 0.00 0.00 55.36 56.22 2wxl s GLN 242 Cb -0.17 -3.26 -0.04 0.00 1.10 0.00 0.00 33.01 30.63 2wxl s GLN 242 CO 0.06 0.57 1.24 0.08 -0.55 0.00 0.00 175.29 176.70 2wxl s VAL 243 N -1.08 4.07 0.00 1.34 1.01 0.14 -0.22 120.40 125.65 2wxl s VAL 243 Ca 0.34 1.44 -0.35 0.00 0.00 0.00 0.00 61.98 63.41 2wxl s VAL 243 Cb -0.22 -3.92 -0.13 0.00 0.00 0.00 0.00 36.38 32.10 2wxl s VAL 243 CO 0.24 0.03 1.71 0.59 0.00 0.00 0.00 175.10 177.68 2wxl n ASN 244 N 4.84 3.08 -0.15 3.32 4.13 -0.90 -1.91 115.26 127.67 2wxl n ASN 244 Ca 0.11 1.03 -0.02 0.00 1.68 0.00 0.00 54.58 57.38 2wxl n ASN 244 Cb 0.46 -1.36 -0.01 0.00 -1.54 0.00 0.00 39.78 37.33 2wxl n ASN 244 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wxl n GLY 245 N 3.87 0.47 3.33 7.41 0.00 -1.26 -4.42 105.19 114.58 2wxl n GLY 245 Ca 0.21 -0.15 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 2wxl n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxl s ARG 246 N -1.26 1.27 -1.31 1.61 0.52 -0.80 -4.30 118.95 114.68 2wxl s ARG 246 Ca 0.00 -1.43 -0.12 0.00 -0.52 0.00 0.00 55.73 53.65 2wxl s ARG 246 Cb 0.00 -1.26 0.13 0.00 0.52 0.00 0.00 34.95 34.34 2wxl s ARG 246 CO 0.00 0.24 1.85 0.72 0.02 0.00 0.00 175.30 178.13 2wxl n HIS 247 N 0.16 3.67 -3.71 -0.53 8.25 -0.25 -4.55 115.22 118.27 2wxl n HIS 247 Ca -0.12 -2.95 -0.12 0.00 -0.26 0.00 0.00 57.72 54.27 2wxl n HIS 247 Cb 0.58 -2.20 -0.10 0.00 1.12 0.00 0.00 29.99 29.38 2wxl n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxl s GLU 248 N 1.64 0.44 0.08 -0.41 2.12 -1.26 -4.53 118.70 116.77 2wxl s GLU 248 Ca 0.43 0.68 0.06 0.00 0.36 0.00 0.00 54.97 56.50 2wxl s GLU 248 Cb 0.07 0.11 -0.03 0.00 0.26 0.00 0.00 34.13 34.54 2wxl s GLU 248 CO -0.01 -0.11 -0.16 0.71 -0.54 0.00 0.00 175.26 175.16 2wxl s TYR 249 N 0.81 1.35 -0.19 5.30 1.51 -1.26 -0.69 117.35 124.18 2wxl s TYR 249 Ca -0.05 -0.45 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2wxl s TYR 249 Cb -0.06 -0.75 -0.01 0.00 -0.11 0.00 0.00 41.96 41.03 2wxl s TYR 249 CO -0.06 0.09 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.91 2wxl s LEU 250 N -1.77 2.96 0.19 -1.29 1.02 0.23 -4.71 118.68 115.31 2wxl s LEU 250 Ca -0.00 -0.31 -0.24 0.00 0.02 0.00 0.00 54.13 53.60 2wxl s LEU 250 Cb -0.10 -1.73 0.05 0.00 0.02 0.00 0.00 46.19 44.43 2wxl s LEU 250 CO 0.03 0.06 0.82 -0.72 0.02 0.00 0.00 176.35 176.56 2wxl s TYR 251 N 1.02 -0.21 0.00 0.29 -0.85 -1.26 -2.10 117.35 114.23 2wxl s TYR 251 Ca 0.00 -0.12 0.00 0.00 -0.52 0.00 0.00 57.07 56.43 2wxl s TYR 251 Cb -0.15 0.65 0.00 0.00 0.38 0.00 0.00 41.96 42.84 2wxl s TYR 251 CO 0.00 -0.96 0.00 0.41 -1.52 0.00 0.00 175.55 173.48 2wxl n GLY 252 N -0.44 0.95 2.63 5.49 0.00 -1.26 -4.78 105.19 107.78 2wxl n GLY 252 Ca -0.07 -2.09 -0.41 0.00 0.00 0.00 0.00 46.02 43.46 2wxl n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxl n ASN 253 N 0.00 6.35 -3.87 1.61 4.13 -1.26 -4.54 115.26 117.67 2wxl n ASN 253 Ca 0.00 -2.96 -0.12 0.00 1.68 0.00 0.00 54.58 53.18 2wxl n ASN 253 Cb 0.00 -1.50 -0.14 0.00 -1.54 0.00 0.00 39.78 36.60 2wxl n ASN 253 CO 0.00 0.00 0.00 -0.31 0.28 0.00 0.00 177.26 177.23 2wxl s TYR 254 N 0.88 0.03 0.59 3.10 2.02 -1.26 -5.13 117.35 117.58 2wxl s TYR 254 Ca 0.51 -0.00 -0.19 0.00 -0.37 0.00 0.00 57.07 57.01 2wxl s TYR 254 Cb 0.15 -0.03 -0.03 0.00 -0.40 0.00 0.00 41.96 41.64 2wxl s TYR 254 CO -0.05 -0.00 1.23 -1.25 -1.57 0.00 0.00 175.55 173.91 2wxl s PRO 255 N 0.02 2.95 0.33 -1.71 0.04 -1.26 -4.15 135.00 131.23 2wxl s PRO 255 Ca -0.00 1.90 0.06 0.00 0.04 0.00 0.00 61.00 63.00 2wxl s PRO 255 Cb -0.00 -1.97 0.71 0.00 0.04 0.00 0.00 34.50 33.28 2wxl s PRO 255 CO -0.00 -1.24 1.87 -0.07 0.04 0.00 0.00 177.00 177.60 2wxl h LEU 256 N 0.94 0.75 0.00 -3.56 3.38 -0.69 0.01 115.31 116.14 2wxl h LEU 256 Ca -0.51 0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.50 2wxl h LEU 256 Cb 1.30 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wxl h LEU 256 CO 0.55 0.40 0.00 0.00 0.09 0.00 0.00 178.44 179.49 2wxl n HIS 258 N -1.33 0.00 -2.96 0.00 8.25 -0.01 -4.40 115.22 114.77 2wxl n HIS 258 Ca 0.07 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.12 2wxl n HIS 258 Cb 0.14 -0.34 -0.05 0.00 1.12 0.00 0.00 29.99 30.87 2wxl n HIS 258 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wxl s PHE 259 N -3.00 3.35 0.34 4.41 0.08 -0.78 -0.98 117.98 121.40 2wxl s PHE 259 Ca 0.12 1.09 0.14 0.00 0.12 0.00 0.00 56.93 58.40 2wxl s PHE 259 Cb 0.18 -2.97 1.11 0.00 -0.57 0.00 0.00 43.02 40.77 2wxl s PHE 259 CO 0.64 -0.31 1.60 1.96 -0.10 0.00 0.00 175.22 179.01 2wxl h GLN 260 N 7.57 0.08 -0.04 0.44 4.20 -1.06 0.13 115.11 126.43 2wxl h GLN 260 Ca -0.27 -0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.43 2wxl h GLN 260 Cb 1.12 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.88 2wxl h GLN 260 CO 0.83 0.05 0.00 -0.92 -0.67 0.00 0.00 178.83 178.13 2wxl h TYR 261 N 0.08 0.07 -0.20 2.96 3.20 -1.93 0.94 116.97 122.10 2wxl h TYR 261 Ca 0.74 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.59 2wxl h TYR 261 Cb 1.81 -0.02 -0.01 0.00 1.54 0.00 0.00 36.73 40.05 2wxl h TYR 261 CO -0.15 0.34 0.06 0.82 -1.64 0.00 0.00 178.16 177.59 2wxl h ILE 262 N -0.21 1.18 -0.68 1.81 1.08 -1.40 -0.53 117.51 118.76 2wxl h ILE 262 Ca 0.01 -0.58 0.10 0.00 -0.39 0.00 0.00 64.86 64.01 2wxl h ILE 262 Cb 0.31 1.20 -0.08 0.00 -3.07 0.00 0.00 36.82 35.18 2wxl h ILE 262 CO 0.00 0.18 0.29 0.00 -0.69 0.00 0.00 178.15 177.94 2wxl h SER 264 N 0.49 0.91 -0.81 0.00 0.87 -0.58 -2.81 113.55 111.63 2wxl h SER 264 Ca 0.35 -0.22 0.01 0.00 -1.23 0.00 0.00 61.79 60.70 2wxl h SER 264 Cb 0.43 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.11 2wxl h SER 264 CO -0.31 0.89 0.53 0.00 -0.53 0.00 0.00 176.83 177.41 2wxl h LEU 266 N 1.07 0.96 -0.02 0.00 3.38 -0.97 -0.14 115.31 119.59 2wxl h LEU 266 Ca 0.30 -0.18 -0.26 0.00 0.09 0.00 0.00 57.88 57.83 2wxl h LEU 266 Cb -0.09 -0.25 0.02 0.00 0.09 0.00 0.00 40.66 40.43 2wxl h LEU 266 CO -0.07 0.88 -1.08 0.45 0.09 0.00 0.00 178.44 178.71 2wxl h HIS 267 N 0.98 0.86 0.00 1.13 3.86 -1.37 -3.19 115.15 117.42 2wxl h HIS 267 Ca 0.23 -0.50 0.00 0.00 -1.16 0.00 0.00 60.37 58.94 2wxl h HIS 267 Cb 0.23 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.61 2wxl h HIS 267 CO 0.02 1.33 0.00 0.66 0.86 0.00 0.00 177.93 180.80 2wxl h SER 268 N 0.29 0.00 0.00 2.45 4.64 -1.46 -3.47 113.55 116.00 2wxl h SER 268 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2wxl h SER 268 Cb 1.74 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.83 2wxl h SER 268 CO 0.20 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.77 2wxl n GLY 269 N 0.73 0.84 3.91 -0.77 0.00 -0.54 -5.08 105.19 104.27 2wxl n GLY 269 Ca 0.03 -0.01 -0.27 0.00 0.00 0.00 0.00 46.02 45.76 2wxl n GLY 269 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxl s LEU 270 N 0.00 3.33 -0.26 0.99 1.43 -0.18 -4.99 118.68 119.01 2wxl s LEU 270 Ca 0.00 0.85 -0.17 0.00 -1.03 0.00 0.00 54.13 53.78 2wxl s LEU 270 Cb 0.00 -3.73 -0.03 0.00 0.03 0.00 0.00 46.19 42.46 2wxl s LEU 270 CO 0.00 -0.93 0.48 -0.89 0.23 0.00 0.00 176.35 175.24 2wxl s THR 271 N -2.96 5.10 0.24 5.49 2.01 -1.26 -4.47 115.64 119.80 2wxl s THR 271 Ca 0.52 0.81 -0.31 0.00 0.31 0.00 0.00 61.69 63.02 2wxl s THR 271 Cb -0.11 -3.80 -0.12 0.00 0.01 0.00 0.00 72.50 68.49 2wxl s THR 271 CO 0.46 0.11 1.65 -2.65 -0.69 0.00 0.00 174.62 173.50 2wxl n PRO 272 N 5.43 2.67 -4.12 4.92 -0.02 -1.25 -4.83 135.00 137.80 2wxl n PRO 272 Ca -0.05 0.96 -0.34 0.00 -2.02 0.00 0.00 63.50 62.04 2wxl n PRO 272 Cb 0.50 -2.76 -0.14 0.00 -0.02 0.00 0.00 33.50 31.08 2wxl n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxl s HIS 273 N 0.60 2.94 0.10 6.00 3.76 -1.26 -0.64 115.29 126.79 2wxl s HIS 273 Ca 0.70 -0.82 0.04 0.00 -0.15 0.00 0.00 55.06 54.84 2wxl s HIS 273 Cb -0.52 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 31.09 2wxl s HIS 273 CO 0.40 -0.43 -0.11 -0.51 -0.85 0.00 0.00 174.74 173.24 2wxl s LEU 274 N 1.15 2.40 -0.09 0.89 1.43 0.54 -2.11 118.68 122.89 2wxl s LEU 274 Ca 0.02 -0.81 0.02 0.00 -1.03 0.00 0.00 54.13 52.33 2wxl s LEU 274 Cb -0.14 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.72 2wxl s LEU 274 CO -0.01 -0.23 -0.16 -0.89 0.23 0.00 0.00 176.35 175.29 2wxl s THR 275 N -2.35 1.47 -0.28 5.49 2.01 0.69 -1.98 115.64 120.70 2wxl s THR 275 Ca 0.06 -0.64 -0.29 0.00 0.31 0.00 0.00 61.69 61.13 2wxl s THR 275 Cb -0.03 -1.33 -0.01 0.00 0.01 0.00 0.00 72.50 71.14 2wxl s THR 275 CO 0.01 0.43 1.48 -0.04 -0.69 0.00 0.00 174.62 175.81 2wxl s MET 276 N 0.81 3.80 -0.16 4.92 -1.94 0.58 -0.47 119.30 126.83 2wxl s MET 276 Ca -0.11 1.42 -0.01 0.00 -1.71 0.00 0.00 55.69 55.28 2wxl s MET 276 Cb -0.16 -3.98 -0.01 0.00 2.01 0.00 0.00 34.83 32.70 2wxl s MET 276 CO 0.01 -1.28 -0.12 0.08 -0.01 0.00 0.00 175.02 173.70 2wxl s VAL 277 N 4.99 2.96 0.56 -6.03 1.01 0.99 -2.53 120.40 122.35 2wxl s VAL 277 Ca 0.65 -0.67 -0.16 0.00 0.00 0.00 0.00 61.98 61.80 2wxl s VAL 277 Cb -0.20 -2.27 -0.05 0.00 0.00 0.00 0.00 36.38 33.85 2wxl s VAL 277 CO 0.27 0.50 1.03 -2.28 0.00 0.00 0.00 175.10 174.62 2wxl s HIS 278 N 0.84 3.16 0.32 5.22 2.46 -1.26 -0.72 115.29 125.31 2wxl s HIS 278 Ca -0.04 1.50 0.00 0.00 0.47 0.00 0.00 55.06 56.99 2wxl s HIS 278 Cb -0.15 -2.93 0.53 0.00 -0.13 0.00 0.00 32.58 29.90 2wxl s HIS 278 CO 0.00 -0.82 1.98 0.66 -2.47 0.00 0.00 174.74 174.09 2wxl h SER 279 N 0.69 0.85 -0.76 9.88 4.64 -1.14 -2.12 113.55 125.59 2wxl h SER 279 Ca -0.47 -0.02 0.04 0.00 -0.47 0.00 0.00 61.79 60.87 2wxl h SER 279 Cb 1.21 -0.21 -0.04 0.00 -0.31 0.00 0.00 62.40 63.04 2wxl h SER 279 CO 0.59 0.61 0.50 0.77 -0.87 0.00 0.00 176.83 178.43 2wxl h SER 280 N 1.00 0.79 -0.45 4.97 4.64 -1.94 -0.05 113.55 122.52 2wxl h SER 280 Ca 0.28 -0.01 -0.14 0.00 -0.47 0.00 0.00 61.79 61.46 2wxl h SER 280 Cb -0.08 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 61.82 2wxl h SER 280 CO -0.07 0.54 -0.26 -1.28 -0.87 0.00 0.00 176.83 174.90 2wxl h SER 281 N 0.92 1.01 -0.50 4.97 0.87 -1.77 -1.97 113.55 117.07 2wxl h SER 281 Ca 0.30 -0.41 -0.06 0.00 -1.23 0.00 0.00 61.79 60.39 2wxl h SER 281 Cb 0.07 -0.28 -0.02 0.00 -0.44 0.00 0.00 62.40 61.73 2wxl h SER 281 CO -0.09 1.20 0.09 0.40 -0.53 0.00 0.00 176.83 177.90 2wxl h ILE 282 N 0.82 1.25 -0.14 2.23 2.04 -1.16 -2.73 117.51 119.81 2wxl h ILE 282 Ca 0.10 -0.92 -0.04 0.00 1.00 0.00 0.00 64.86 65.00 2wxl h ILE 282 Cb 0.84 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 2wxl h ILE 282 CO 0.07 0.33 -0.09 -0.07 0.00 0.00 0.00 178.15 178.39 2wxl h LEU 283 N 0.70 0.20 -0.74 1.44 3.38 -0.95 -1.43 115.31 117.92 2wxl h LEU 283 Ca 0.15 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2wxl h LEU 283 Cb 0.38 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 2wxl h LEU 283 CO 0.01 0.32 0.00 0.00 0.09 0.00 0.00 178.44 178.86 2wxl h ALA 284 N 1.71 0.94 0.12 1.53 0.00 -1.12 -0.52 119.26 121.93 2wxl h ALA 284 Ca 0.05 -0.30 -0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wxl h ALA 284 Cb 0.29 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2wxl h ALA 284 CO 0.02 0.64 -0.07 0.52 0.00 0.00 0.00 179.25 180.35 2wxl h MET 285 N 0.89 -0.18 -0.48 0.00 2.86 -1.07 0.14 114.93 117.10 2wxl h MET 285 Ca 0.16 0.01 0.09 0.00 -2.06 0.00 0.00 59.70 57.91 2wxl h MET 285 Cb 0.52 0.04 -0.10 0.00 0.06 0.00 0.00 31.60 32.12 2wxl h MET 285 CO 0.03 -0.12 -0.30 -0.09 1.06 0.00 0.00 176.91 177.48 2wxl h ARG 286 N -0.19 -0.19 -0.39 1.72 2.43 -1.12 -2.72 114.38 113.93 2wxl h ARG 286 Ca -0.01 0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 2wxl h ARG 286 Cb 0.15 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.73 2wxl h ARG 286 CO 0.01 -0.12 0.20 -0.44 -1.51 0.00 0.00 179.97 178.11 2wxl h ASP 287 N -0.19 0.50 0.16 -3.80 3.32 -0.83 -2.30 116.42 113.29 2wxl h ASP 287 Ca 0.20 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.14 2wxl h ASP 287 Cb 0.53 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.95 2wxl h ASP 287 CO -0.59 0.47 0.00 1.05 -1.72 0.00 0.00 179.24 178.45 2wxl h GLU 288 N 0.50 0.00 -0.59 3.56 4.11 -0.54 -3.12 114.58 118.49 2wxl h GLU 288 Ca 0.14 0.00 -0.08 0.00 0.07 0.00 0.00 59.36 59.49 2wxl h GLU 288 Cb 0.09 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.29 2wxl h GLU 288 CO -0.02 0.00 0.09 1.04 0.07 0.00 0.00 179.01 180.20 2wxl n GLN 289 N -3.01 4.21 -1.25 1.06 6.02 -0.86 -5.01 117.38 118.54 2wxl n GLN 289 Ca -0.02 -3.11 -0.31 0.00 -0.01 0.00 0.00 57.00 53.55 2wxl n GLN 289 Cb 0.10 -2.20 0.10 0.00 1.02 0.00 0.00 30.24 29.26 2wxl n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxl s SER 290 N -1.05 4.40 0.00 1.08 1.04 -1.18 -4.52 113.70 113.46 2wxl s SER 290 Ca 0.53 1.80 0.00 0.00 0.48 0.00 0.00 55.95 58.76 2wxl s SER 290 Cb 0.42 -2.49 0.00 0.00 0.10 0.00 0.00 66.02 64.05 2wxl s SER 290 CO 0.14 -2.10 0.00 0.59 0.98 0.00 0.00 173.24 172.85 2wxl n ASN 291 N -3.56 0.00 -0.14 7.02 4.13 -1.26 -4.61 115.26 116.84 2wxl n ASN 291 Ca 0.09 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.35 2wxl n ASN 291 Cb 0.53 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.77 2wxl n ASN 291 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2wxl n LEU 316 N 0.00 0.00 0.22 3.41 -0.00 -1.26 -5.06 117.00 114.31 2wxl n LEU 316 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.10 2wxl n LEU 316 Cb 0.00 0.00 0.50 0.00 -0.00 0.00 0.00 43.42 43.92 2wxl n LEU 316 CO 0.00 0.00 0.90 4.11 -0.00 0.00 0.00 177.39 182.40 2wxl h TRP 317 N 0.14 0.00 0.00 1.47 5.08 -1.95 -2.17 115.95 118.52 2wxl h TRP 317 Ca 0.00 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 59.93 2wxl h TRP 317 Cb 0.00 0.00 -0.01 0.00 -3.00 0.00 0.00 29.16 26.15 2wxl h TRP 317 CO 0.00 0.00 -0.33 0.77 -1.28 0.00 0.00 178.44 177.60 2wxl h SER 318 N 0.00 0.00 -3.01 0.11 0.02 -1.98 -3.45 113.55 105.24 2wxl h SER 318 Ca 0.00 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 60.29 2wxl h SER 318 Cb 0.60 0.00 -0.17 0.00 0.14 0.00 0.00 62.40 62.97 2wxl h SER 318 CO 0.00 0.16 0.28 -0.76 -1.14 0.00 0.00 176.83 175.36 2wxl s LEU 319 N -6.14 4.78 -0.01 5.07 1.43 -0.82 -4.85 118.68 118.14 2wxl s LEU 319 Ca 0.05 -0.97 0.22 0.00 -1.03 0.00 0.00 54.13 52.40 2wxl s LEU 319 Cb 0.06 -2.47 -0.23 0.00 0.03 0.00 0.00 46.19 43.59 2wxl s LEU 319 CO 0.71 -1.14 0.79 -0.62 0.23 0.00 0.00 176.35 176.32 2wxl n GLU 320 N 6.81 0.22 -1.87 1.70 1.02 -1.26 0.30 120.64 127.56 2wxl n GLU 320 Ca -0.05 -0.06 -0.40 0.00 -0.02 0.00 0.00 57.16 56.63 2wxl n GLU 320 Cb 0.45 -1.51 0.01 0.00 -0.02 0.00 0.00 31.44 30.37 2wxl n GLU 320 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2wxl s GLN 321 N -3.17 3.71 0.45 3.49 0.00 -1.26 -4.56 119.66 118.32 2wxl s GLN 321 Ca 0.03 2.33 -0.25 0.00 -0.00 0.00 0.00 55.36 57.46 2wxl s GLN 321 Cb 0.15 -2.64 -0.09 0.00 0.00 0.00 0.00 33.01 30.44 2wxl s GLN 321 CO 0.87 -0.76 1.39 -2.30 0.00 0.00 0.00 175.29 174.49 2wxl n PRO 322 N -0.19 2.14 -2.09 9.60 -0.02 -1.26 -1.83 135.00 141.35 2wxl n PRO 322 Ca 0.05 0.76 -0.38 0.00 -2.02 0.00 0.00 63.50 61.91 2wxl n PRO 322 Cb 0.43 -2.56 0.00 0.00 -0.02 0.00 0.00 33.50 31.35 2wxl n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxl s PHE 323 N -1.20 2.75 -0.00 6.00 5.36 0.15 -4.77 117.98 126.27 2wxl s PHE 323 Ca 0.62 1.46 -0.27 0.00 -0.96 0.00 0.00 56.93 57.78 2wxl s PHE 323 Cb -0.46 -3.57 0.06 0.00 -0.34 0.00 0.00 43.02 38.71 2wxl s PHE 323 CO 0.57 -1.97 0.61 -1.54 -1.46 0.00 0.00 175.22 171.43 2wxl s SER 324 N -1.05 -0.58 0.12 6.13 1.04 -1.26 0.10 113.70 118.21 2wxl s SER 324 Ca 0.62 0.49 0.03 0.00 0.48 0.00 0.00 55.95 57.57 2wxl s SER 324 Cb -0.34 0.52 -0.04 0.00 0.10 0.00 0.00 66.02 66.26 2wxl s SER 324 CO 0.43 -0.66 -0.09 0.27 0.98 0.00 0.00 173.24 174.16 2wxl s ILE 325 N -1.75 0.95 -0.22 -1.02 -4.36 0.38 -4.45 121.20 110.74 2wxl s ILE 325 Ca -0.09 -1.91 -0.10 0.00 -0.26 0.00 0.00 60.65 58.29 2wxl s ILE 325 Cb -0.01 -1.67 -0.05 0.00 1.25 0.00 0.00 42.46 41.99 2wxl s ILE 325 CO 0.05 -0.74 0.14 -0.70 0.24 0.00 0.00 174.94 173.92 2wxl s GLU 326 N -3.53 4.10 -0.37 0.37 2.12 -0.83 -0.06 118.70 120.50 2wxl s GLU 326 Ca 0.12 -0.26 -0.20 0.00 0.36 0.00 0.00 54.97 54.99 2wxl s GLU 326 Cb 0.02 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.95 2wxl s GLU 326 CO -0.01 0.15 0.63 -1.17 -0.54 0.00 0.00 175.26 174.32 2wxl s LEU 327 N 0.78 4.30 -0.10 2.70 2.96 -0.16 -1.25 118.68 127.91 2wxl s LEU 327 Ca 0.07 0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 53.97 2wxl s LEU 327 Cb -0.13 -2.76 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 2wxl s LEU 327 CO 0.02 -0.62 -0.14 -0.38 -1.32 0.00 0.00 176.35 173.91 2wxl n ILE 328 N 5.62 0.97 -3.75 6.68 5.41 -0.71 -2.03 119.36 131.55 2wxl n ILE 328 Ca -0.01 0.30 -0.03 0.00 1.00 0.00 0.00 62.75 64.01 2wxl n ILE 328 Cb 0.48 -2.10 -0.01 0.00 -0.71 0.00 0.00 39.64 37.30 2wxl n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxl s GLU 329 N -1.91 1.13 0.37 0.38 -1.05 -1.21 -1.74 118.70 114.66 2wxl s GLU 329 Ca -0.11 -0.63 0.04 0.00 -0.15 0.00 0.00 54.97 54.12 2wxl s GLU 329 Cb 0.02 0.38 -0.05 0.00 -0.44 0.00 0.00 34.13 34.04 2wxl s GLU 329 CO 0.17 -0.52 0.08 0.20 0.95 0.00 0.00 175.26 176.14 2wxl s GLY 330 N -2.96 2.34 -0.27 -3.83 0.00 0.56 -1.64 107.32 101.53 2wxl s GLY 330 Ca 0.13 -1.64 -0.00 0.00 0.00 0.00 0.00 44.72 43.20 2wxl s GLY 330 CO 0.02 -1.85 0.42 0.50 0.00 0.00 0.00 173.10 172.19 2wxl s ARG 331 N -3.82 0.40 0.26 2.90 0.52 -0.84 -2.48 118.95 115.89 2wxl s ARG 331 Ca 0.30 0.44 -0.19 0.00 -0.52 0.00 0.00 55.73 55.75 2wxl s ARG 331 Cb 0.06 -0.28 0.07 0.00 0.52 0.00 0.00 34.95 35.32 2wxl s ARG 331 CO 0.14 -0.80 0.95 0.36 0.02 0.00 0.00 175.30 175.98 2wxl n LYS 332 N 5.37 0.82 -4.63 3.54 -0.00 -1.26 -1.94 118.16 120.07 2wxl n LYS 332 Ca -0.01 -1.75 -0.26 0.00 -0.00 0.00 0.00 58.31 56.29 2wxl n LYS 332 Cb 0.50 2.29 -0.17 0.00 -0.00 0.00 0.00 35.03 37.65 2wxl n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxl s VAL 333 N -2.07 1.29 0.02 0.58 1.01 -1.26 -4.57 120.40 115.40 2wxl s VAL 333 Ca 0.21 -0.56 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2wxl s VAL 333 Cb -0.04 -1.17 0.11 0.00 0.00 0.00 0.00 36.38 35.28 2wxl s VAL 333 CO 0.08 0.39 1.23 0.21 0.00 0.00 0.00 175.10 177.01 2wxl s ASN 334 N 0.70 -0.06 0.00 3.32 2.47 -1.26 -5.05 114.94 115.06 2wxl s ASN 334 Ca -0.14 -0.21 0.00 0.00 0.42 0.00 0.00 52.86 52.93 2wxl s ASN 334 Cb -0.16 0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.86 2wxl s ASN 334 CO 0.03 -0.42 0.00 0.00 -3.72 0.00 0.00 177.10 173.00 2wxl n ALA 335 N -0.56 0.00 0.00 1.71 0.00 -1.26 -5.04 120.51 115.37 2wxl n ALA 335 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wxl n ALA 335 Cb 0.62 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.07 2wxl n ALA 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wxl n MET 339 N 0.00 0.00 -4.44 0.00 2.00 -1.26 -4.89 117.12 108.53 2wxl n MET 339 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 57.70 57.45 2wxl n MET 339 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 2wxl n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxl s LYS 340 N -2.10 1.67 0.04 0.03 3.01 0.11 -1.92 119.74 120.58 2wxl s LYS 340 Ca 0.00 -1.65 -0.04 0.00 -1.01 0.00 0.00 55.97 53.27 2wxl s LYS 340 Cb 0.00 -1.83 -0.05 0.00 -1.01 0.00 0.00 37.83 34.94 2wxl s LYS 340 CO 0.00 0.36 0.26 -0.51 0.51 0.00 0.00 175.35 175.97 2wxl s LEU 341 N -3.21 4.35 0.03 3.17 1.43 0.38 -1.05 118.68 123.78 2wxl s LEU 341 Ca 0.27 0.46 0.01 0.00 -1.03 0.00 0.00 54.13 53.84 2wxl s LEU 341 Cb -0.06 -2.85 -0.02 0.00 0.03 0.00 0.00 46.19 43.29 2wxl s LEU 341 CO 0.13 0.20 -0.06 -0.69 0.23 0.00 0.00 176.35 176.16 2wxl s VAL 342 N -1.42 0.37 -0.20 -1.59 1.01 -0.77 -1.58 120.40 116.21 2wxl s VAL 342 Ca 0.32 -0.90 -0.03 0.00 0.00 0.00 0.00 61.98 61.36 2wxl s VAL 342 Cb -0.13 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2wxl s VAL 342 CO 0.21 -0.36 -0.05 -0.69 0.00 0.00 0.00 175.10 174.21 2wxl s VAL 343 N -1.23 3.39 -0.16 2.92 1.01 -1.26 -1.63 120.40 123.44 2wxl s VAL 343 Ca -0.10 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.29 2wxl s VAL 343 Cb -0.09 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.73 2wxl s VAL 343 CO -0.00 0.44 0.13 -1.58 0.00 0.00 0.00 175.10 174.10 2wxl s GLN 344 N 1.22 3.82 -0.02 2.72 0.74 0.09 0.32 119.66 128.54 2wxl s GLN 344 Ca 0.03 -0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.30 2wxl s GLN 344 Cb -0.14 -3.31 -0.00 0.00 1.10 0.00 0.00 33.01 30.66 2wxl s GLN 344 CO -0.01 0.54 -0.13 0.00 -0.55 0.00 0.00 175.29 175.13 2wxl s ALA 345 N -0.32 1.14 0.06 1.58 0.00 -0.94 -0.22 121.76 123.06 2wxl s ALA 345 Ca 0.11 -0.53 0.02 0.00 0.00 0.00 0.00 51.96 51.56 2wxl s ALA 345 Cb -0.11 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.63 2wxl s ALA 345 CO 0.01 0.24 -0.07 0.20 0.00 0.00 0.00 175.76 176.13 2wxl s GLY 346 N -0.08 0.61 -0.23 0.00 0.00 -0.50 -1.02 107.32 106.09 2wxl s GLY 346 Ca 0.01 -0.97 -0.07 0.00 0.00 0.00 0.00 44.72 43.68 2wxl s GLY 346 CO 0.00 -1.04 0.07 1.08 0.00 0.00 0.00 173.10 173.21 2wxl s LEU 347 N -2.09 3.52 0.10 0.66 1.43 -1.26 -0.53 118.68 120.50 2wxl s LEU 347 Ca -0.02 -0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.04 2wxl s LEU 347 Cb -0.05 -1.93 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 2wxl s LEU 347 CO -0.01 0.02 -0.25 -0.36 0.23 0.00 0.00 176.35 175.97 2wxl s PHE 348 N 1.30 2.36 -0.40 0.29 0.08 0.40 -1.19 117.98 120.82 2wxl s PHE 348 Ca 0.05 -0.37 0.03 0.00 0.12 0.00 0.00 56.93 56.76 2wxl s PHE 348 Cb -0.15 -1.32 0.11 0.00 -0.57 0.00 0.00 43.02 41.10 2wxl s PHE 348 CO 0.03 0.28 0.14 -1.58 -0.10 0.00 0.00 175.22 173.99 2wxl s HIS 349 N -0.99 3.13 0.00 0.36 5.65 0.39 -1.61 115.29 122.21 2wxl s HIS 349 Ca 0.14 -2.82 0.00 0.00 0.25 0.00 0.00 55.06 52.63 2wxl s HIS 349 Cb -0.10 -2.62 0.00 0.00 -1.18 0.00 0.00 32.58 28.68 2wxl s HIS 349 CO 0.05 -0.86 0.00 0.41 -0.65 0.00 0.00 174.74 173.69 2wxl n GLY 350 N 3.93 2.59 0.17 1.59 0.00 -1.26 -2.44 105.19 109.76 2wxl n GLY 350 Ca 0.04 -0.29 0.10 0.00 0.00 0.00 0.00 46.02 45.87 2wxl n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxl h ASN 351 N 0.00 0.00 -3.36 1.61 2.35 -1.90 -3.44 115.58 110.85 2wxl h ASN 351 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2wxl h ASN 351 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2wxl h ASN 351 CO 0.00 0.10 0.23 -1.61 -1.65 0.00 0.00 177.43 174.50 2wxl s GLU 352 N -3.21 4.41 0.26 0.81 8.01 -1.02 -5.04 118.70 122.91 2wxl s GLU 352 Ca 0.03 1.01 -0.30 0.00 0.01 0.00 0.00 54.97 55.72 2wxl s GLU 352 Cb 0.07 -3.49 -0.10 0.00 -4.31 0.00 0.00 34.13 26.30 2wxl s GLU 352 CO 0.73 -0.08 1.40 -1.64 0.01 0.00 0.00 175.26 175.68 2wxl s MET 353 N 1.27 4.30 0.07 1.61 -1.94 -1.26 -0.47 119.30 122.88 2wxl s MET 353 Ca 0.40 2.26 0.25 0.00 -1.71 0.00 0.00 55.69 56.88 2wxl s MET 353 Cb -0.18 -3.11 0.43 0.00 2.01 0.00 0.00 34.83 33.98 2wxl s MET 353 CO 0.18 -0.36 1.37 1.28 -0.01 0.00 0.00 175.02 177.48 2wxl n LEU 354 N 2.02 0.60 -3.80 -0.03 4.77 -0.33 -4.87 117.00 115.37 2wxl n LEU 354 Ca 0.05 0.16 0.01 0.00 -0.03 0.00 0.00 56.01 56.20 2wxl n LEU 354 Cb 0.41 -0.22 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2wxl n LEU 354 CO 0.60 0.01 1.03 0.00 -1.33 0.00 0.00 177.39 177.69 2wxl n LYS 356 N -0.67 0.69 -1.91 0.00 2.85 -1.26 -4.68 118.16 113.18 2wxl n LYS 356 Ca -0.03 0.29 -0.32 0.00 -1.05 0.00 0.00 58.31 57.19 2wxl n LYS 356 Cb 0.61 -2.25 0.02 0.00 -0.65 0.00 0.00 35.03 32.76 2wxl n LYS 356 CO 0.00 0.00 0.00 0.95 -0.05 0.00 0.00 177.40 178.30 2wxl s THR 357 N -1.67 3.75 -0.06 0.58 -4.23 -1.26 -4.77 115.64 107.98 2wxl s THR 357 Ca 0.76 0.78 0.02 0.00 -1.18 0.00 0.00 61.69 62.06 2wxl s THR 357 Cb -0.37 -3.33 0.02 0.00 1.34 0.00 0.00 72.50 70.16 2wxl s THR 357 CO 0.48 -0.54 -0.09 0.68 -0.54 0.00 0.00 174.62 174.61 2wxl s VAL 358 N -2.54 0.90 0.30 2.29 -7.23 -0.19 -5.00 120.40 108.94 2wxl s VAL 358 Ca 0.63 -0.33 -0.00 0.00 -1.81 0.00 0.00 61.98 60.47 2wxl s VAL 358 Cb -0.16 -0.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.88 2wxl s VAL 358 CO 0.41 0.31 0.51 -0.44 -0.31 0.00 0.00 175.10 175.57 2wxl s SER 359 N 0.82 6.33 0.79 4.85 0.01 -1.26 -2.22 113.70 123.03 2wxl s SER 359 Ca -0.12 0.45 -0.11 0.00 1.31 0.00 0.00 55.95 57.48 2wxl s SER 359 Cb -0.15 -2.03 0.09 0.00 0.21 0.00 0.00 66.02 64.13 2wxl s SER 359 CO 0.02 -0.22 1.15 -0.55 0.41 0.00 0.00 173.24 174.05 2wxl s SER 360 N -3.75 4.47 0.39 2.44 0.15 0.15 -4.99 113.70 112.57 2wxl s SER 360 Ca 0.40 0.64 -0.25 0.00 0.70 0.00 0.00 55.95 57.44 2wxl s SER 360 Cb -0.10 -1.13 -0.09 0.00 -1.71 0.00 0.00 66.02 62.99 2wxl s SER 360 CO 0.33 -1.90 1.09 -0.94 1.20 0.00 0.00 173.24 173.03 2wxl s SER 361 N -4.59 6.70 -0.12 5.45 1.04 -1.26 -4.75 113.70 116.17 2wxl s SER 361 Ca 0.63 2.15 -0.29 0.00 0.48 0.00 0.00 55.95 58.91 2wxl s SER 361 Cb -0.10 -2.60 -0.03 0.00 0.10 0.00 0.00 66.02 63.39 2wxl s SER 361 CO 0.48 -0.54 1.33 -1.61 0.98 0.00 0.00 173.24 173.88 2wxl s GLU 362 N -2.37 4.24 -0.05 4.02 2.02 -1.26 -4.60 118.70 120.70 2wxl s GLU 362 Ca 0.57 1.78 0.03 0.00 0.02 0.00 0.00 54.97 57.37 2wxl s GLU 362 Cb -0.25 -3.76 0.00 0.00 0.10 0.00 0.00 34.13 30.22 2wxl s GLU 362 CO 0.32 -0.68 -0.14 0.08 0.02 0.00 0.00 175.26 174.85 2wxl s VAL 363 N 3.32 1.25 0.41 2.63 1.01 -0.61 -4.92 120.40 123.48 2wxl s VAL 363 Ca 0.59 -0.59 -0.23 0.00 0.00 0.00 0.00 61.98 61.75 2wxl s VAL 363 Cb -0.25 -1.10 -0.13 0.00 0.00 0.00 0.00 36.38 34.91 2wxl s VAL 363 CO 0.19 0.37 0.55 0.59 0.00 0.00 0.00 175.10 176.80 2wxl n ASN 364 N 3.38 -0.88 0.00 3.32 3.02 -1.26 0.14 115.26 122.97 2wxl n ASN 364 Ca -0.20 0.92 0.00 0.00 -0.03 0.00 0.00 54.58 55.28 2wxl n ASN 364 Cb 0.53 -1.11 0.00 0.00 -0.61 0.00 0.00 39.78 38.59 2wxl n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxl n VAL 365 N -0.79 0.82 -1.43 2.41 0.31 -0.81 -4.51 118.33 114.33 2wxl n VAL 365 Ca 0.12 0.34 -0.44 0.00 -0.01 0.00 0.00 64.34 64.35 2wxl n VAL 365 Cb 0.39 -1.34 -0.01 0.00 -0.91 0.00 0.00 33.84 31.97 2wxl n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxl n SER 367 N 1.62 -0.17 -3.04 0.00 7.64 -1.26 -3.92 113.62 114.48 2wxl n SER 367 Ca 0.13 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.79 2wxl n SER 367 Cb 0.35 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.60 2wxl n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxl n GLU 368 N -0.05 -5.60 -1.65 1.43 4.07 -1.26 -4.69 120.64 112.89 2wxl n GLU 368 Ca 0.00 0.84 -0.40 0.00 -0.06 0.00 0.00 57.16 57.54 2wxl n GLU 368 Cb 0.00 -5.65 0.03 0.00 -0.06 0.00 0.00 31.44 25.76 2wxl n GLU 368 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wxl n PRO 369 N -4.15 1.37 -3.84 5.31 -0.04 -1.04 -4.64 135.00 127.97 2wxl n PRO 369 Ca -0.07 0.50 -0.30 0.00 -0.04 0.00 0.00 63.50 63.59 2wxl n PRO 369 Cb 0.60 -2.22 -0.15 0.00 -0.04 0.00 0.00 33.50 31.69 2wxl n PRO 369 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wxl s VAL 370 N -1.34 1.55 0.60 0.52 1.01 -1.26 -0.33 120.40 121.15 2wxl s VAL 370 Ca 0.68 -2.05 -0.04 0.00 0.00 0.00 0.00 61.98 60.57 2wxl s VAL 370 Cb -0.48 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 33.79 2wxl s VAL 370 CO 0.53 -0.70 0.89 0.26 0.00 0.00 0.00 175.10 176.08 2wxl s TRP 371 N 1.03 3.09 -0.43 5.22 0.51 -0.71 -4.98 118.94 122.66 2wxl s TRP 371 Ca 0.12 0.44 0.08 0.00 -2.12 0.00 0.00 56.10 54.62 2wxl s TRP 371 Cb -0.20 -2.82 0.35 0.00 -0.81 0.00 0.00 33.47 29.99 2wxl s TRP 371 CO -0.13 -0.95 1.15 1.63 -0.51 0.00 0.00 176.95 178.14 2wxl n LYS 372 N -2.59 1.07 -4.41 4.98 5.02 -1.13 -4.07 118.16 117.04 2wxl n LYS 372 Ca 0.06 -2.05 -0.25 0.00 -2.02 0.00 0.00 58.31 54.05 2wxl n LYS 372 Cb 0.59 -0.80 -0.13 0.00 -0.02 0.00 0.00 35.03 34.66 2wxl n LYS 372 CO 0.00 0.00 0.00 1.14 -0.52 0.00 0.00 177.40 178.02 2wxl s GLN 373 N -0.07 1.22 -0.15 1.97 -2.07 -0.86 -4.95 119.66 114.75 2wxl s GLN 373 Ca 0.23 -1.09 -0.29 0.00 -1.82 0.00 0.00 55.36 52.39 2wxl s GLN 373 Cb 0.33 -1.44 -0.01 0.00 -1.09 0.00 0.00 33.01 30.80 2wxl s GLN 373 CO -0.06 0.35 1.05 0.50 -1.32 0.00 0.00 175.29 175.81 2wxl s ARG 374 N -1.67 4.35 -0.28 9.60 3.52 -1.26 -0.99 118.95 132.22 2wxl s ARG 374 Ca 0.07 1.42 -0.09 0.00 -0.13 0.00 0.00 55.73 57.00 2wxl s ARG 374 Cb -0.10 -3.59 -0.03 0.00 -1.56 0.00 0.00 34.95 29.68 2wxl s ARG 374 CO 0.03 -0.46 0.13 -0.51 -0.81 0.00 0.00 175.30 173.68 2wxl s LEU 375 N 2.55 3.84 -0.13 -0.88 1.43 0.92 -4.97 118.68 121.44 2wxl s LEU 375 Ca 0.48 -0.26 -0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2wxl s LEU 375 Cb -0.18 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.01 2wxl s LEU 375 CO 0.14 -0.10 -0.07 -0.70 0.23 0.00 0.00 176.35 175.85 2wxl s GLU 376 N 1.66 3.38 -0.05 1.70 2.12 -1.26 -0.47 118.70 125.78 2wxl s GLU 376 Ca 0.06 -0.56 -0.07 0.00 0.36 0.00 0.00 54.97 54.76 2wxl s GLU 376 Cb -0.16 -2.77 -0.04 0.00 0.26 0.00 0.00 34.13 31.42 2wxl s GLU 376 CO 0.07 0.34 0.21 -0.06 -0.54 0.00 0.00 175.26 175.27 2wxl s PHE 377 N 0.07 3.59 -1.56 5.30 0.08 0.29 -4.98 117.98 120.78 2wxl s PHE 377 Ca -0.02 0.54 -0.09 0.00 0.12 0.00 0.00 56.93 57.48 2wxl s PHE 377 Cb -0.14 -1.96 -0.04 0.00 -0.57 0.00 0.00 43.02 40.32 2wxl s PHE 377 CO 0.03 0.68 2.81 -3.47 -0.10 0.00 0.00 175.22 175.17 2wxl n ASP 378 N 1.50 8.42 -3.64 1.36 2.03 -1.26 -3.70 116.55 121.26 2wxl n ASP 378 Ca -0.15 -2.70 -0.12 0.00 0.52 0.00 0.00 54.79 52.33 2wxl n ASP 378 Cb 0.54 -1.52 -0.07 0.00 -0.72 0.00 0.00 41.12 39.34 2wxl n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxl s ILE 379 N 1.50 -0.00 0.54 5.18 2.07 -1.26 -4.80 121.20 124.42 2wxl s ILE 379 Ca 0.66 0.00 -0.20 0.00 -1.41 0.00 0.00 60.65 59.70 2wxl s ILE 379 Cb 0.18 -0.95 -0.06 0.00 0.13 0.00 0.00 42.46 41.76 2wxl s ILE 379 CO -0.07 0.00 1.15 -0.55 -1.91 0.00 0.00 174.94 173.56 2wxl s SER 380 N 0.64 5.72 0.40 4.50 0.15 -1.26 0.31 113.70 124.15 2wxl s SER 380 Ca -0.02 2.23 0.15 0.00 0.70 0.00 0.00 55.95 59.01 2wxl s SER 380 Cb -0.05 -2.59 0.85 0.00 -1.71 0.00 0.00 66.02 62.52 2wxl s SER 380 CO -0.03 -1.22 1.88 0.58 1.20 0.00 0.00 173.24 175.64 2wxl h VAL 381 N 1.27 1.14 0.00 4.45 2.07 -1.17 -2.06 116.25 121.95 2wxl h VAL 381 Ca -0.50 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 65.93 2wxl h VAL 381 Cb 1.26 1.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.64 2wxl h VAL 381 CO 0.57 0.31 0.00 0.00 0.02 0.00 0.00 177.57 178.47 2wxl n ASP 383 N -1.46 3.06 -4.67 0.00 10.43 -0.78 -4.63 116.55 118.50 2wxl n ASP 383 Ca 0.07 -1.91 -0.42 0.00 2.57 0.00 0.00 54.79 55.10 2wxl n ASP 383 Cb 0.26 -0.15 -0.03 0.00 1.84 0.00 0.00 41.12 43.05 2wxl n ASP 383 CO 0.00 0.00 0.00 -0.76 -1.07 0.00 0.00 177.20 175.37 2wxl s LEU 384 N -1.47 4.30 0.66 0.64 1.43 -1.21 -4.26 118.68 118.78 2wxl s LEU 384 Ca 0.31 2.12 -0.11 0.00 -1.03 0.00 0.00 54.13 55.41 2wxl s LEU 384 Cb 0.19 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.86 2wxl s LEU 384 CO 0.27 -0.84 1.05 -2.16 0.23 0.00 0.00 176.35 174.90 2wxl s PRO 385 N 3.41 3.15 0.52 1.29 0.04 -1.26 -4.90 135.00 137.24 2wxl s PRO 385 Ca 0.67 0.93 0.31 0.00 0.04 0.00 0.00 61.00 62.95 2wxl s PRO 385 Cb -0.31 -2.02 1.45 0.00 0.04 0.00 0.00 34.50 33.66 2wxl s PRO 385 CO 0.26 -0.93 1.87 -0.09 0.04 0.00 0.00 177.00 178.14 2wxl h ARG 386 N -0.49 0.05 -0.48 4.56 9.65 -1.94 -1.39 114.38 124.34 2wxl h ARG 386 Ca -0.44 -0.00 -0.09 0.00 -1.10 0.00 0.00 59.98 58.34 2wxl h ARG 386 Cb 1.21 -0.01 -0.06 0.00 -1.39 0.00 0.00 29.97 29.72 2wxl h ARG 386 CO 0.58 0.03 0.08 -1.33 2.80 0.00 0.00 179.97 182.13 2wxl n MET 387 N -4.29 3.36 -1.95 0.20 2.81 -1.26 -4.62 117.12 111.36 2wxl n MET 387 Ca 0.20 -3.02 -0.42 0.00 -1.81 0.00 0.00 57.70 52.65 2wxl n MET 387 Cb 0.99 -2.03 -0.03 0.00 -0.71 0.00 0.00 33.22 31.44 2wxl n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxl s ALA 388 N -2.93 3.73 -0.01 3.04 0.00 -0.53 -4.75 121.76 120.31 2wxl s ALA 388 Ca 0.49 1.29 0.06 0.00 0.00 0.00 0.00 51.96 53.79 2wxl s ALA 388 Cb 0.39 -3.64 -0.03 0.00 0.00 0.00 0.00 23.12 19.85 2wxl s ALA 388 CO 0.10 -0.89 -0.20 -0.98 0.00 0.00 0.00 175.76 173.80 2wxl s ARG 389 N 1.71 2.23 -0.25 0.00 1.70 -0.63 -0.74 118.95 122.96 2wxl s ARG 389 Ca 0.71 -0.86 -0.08 0.00 -0.47 0.00 0.00 55.73 55.03 2wxl s ARG 389 Cb -0.42 -2.20 -0.03 0.00 -0.57 0.00 0.00 34.95 31.74 2wxl s ARG 389 CO 0.31 0.58 0.08 -1.17 -1.08 0.00 0.00 175.30 174.02 2wxl s LEU 390 N -0.88 3.51 -0.13 -1.89 2.96 0.65 -0.46 118.68 122.44 2wxl s LEU 390 Ca 0.12 -0.23 0.01 0.00 -0.22 0.00 0.00 54.13 53.81 2wxl s LEU 390 Cb -0.10 -1.93 -0.01 0.00 0.50 0.00 0.00 46.19 44.64 2wxl s LEU 390 CO 0.01 -0.05 -0.16 0.00 -1.32 0.00 0.00 176.35 174.83 2wxl s PHE 392 N 0.43 2.65 -0.08 0.00 0.08 0.48 -1.41 117.98 120.13 2wxl s PHE 392 Ca -0.12 -0.20 0.00 0.00 0.12 0.00 0.00 56.93 56.73 2wxl s PHE 392 Cb -0.16 -1.48 0.02 0.00 -0.57 0.00 0.00 43.02 40.83 2wxl s PHE 392 CO 0.06 0.31 -0.06 0.00 -0.10 0.00 0.00 175.22 175.43 2wxl s ALA 393 N -1.00 1.04 -0.24 5.36 0.00 0.69 -2.05 121.76 125.56 2wxl s ALA 393 Ca 0.16 -0.33 -0.13 0.00 0.00 0.00 0.00 51.96 51.66 2wxl s ALA 393 Cb -0.11 -0.71 -0.04 0.00 0.00 0.00 0.00 23.12 22.26 2wxl s ALA 393 CO 0.07 -0.24 0.29 -1.17 0.00 0.00 0.00 175.76 174.71 2wxl s LEU 394 N 1.41 4.10 0.30 0.00 2.96 0.33 -0.74 118.68 127.04 2wxl s LEU 394 Ca -0.02 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.17 2wxl s LEU 394 Cb -0.13 -2.31 -0.02 0.00 0.50 0.00 0.00 46.19 44.23 2wxl s LEU 394 CO -0.04 -0.05 0.32 -0.72 -1.32 0.00 0.00 176.35 174.54 2wxl s TYR 395 N 1.45 1.35 0.05 5.38 -0.85 -0.64 -1.21 117.35 122.88 2wxl s TYR 395 Ca 0.13 -1.44 0.09 0.00 -0.52 0.00 0.00 57.07 55.32 2wxl s TYR 395 Cb -0.15 -0.45 -0.03 0.00 0.38 0.00 0.00 41.96 41.72 2wxl s TYR 395 CO 0.08 -0.91 -0.24 0.00 -1.52 0.00 0.00 175.55 172.96 2wxl s ALA 396 N -3.52 2.08 0.03 9.51 0.00 0.36 -1.85 121.76 128.37 2wxl s ALA 396 Ca 0.36 -1.22 -0.09 0.00 0.00 0.00 0.00 51.96 51.02 2wxl s ALA 396 Cb 0.02 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.73 2wxl s ALA 396 CO 0.21 0.48 0.18 0.54 0.00 0.00 0.00 175.76 177.17 2wxl s VAL 397 N -0.84 0.10 0.22 0.00 0.11 -0.21 -1.93 120.40 117.86 2wxl s VAL 397 Ca 0.10 -0.84 0.02 0.00 -2.93 0.00 0.00 61.98 58.33 2wxl s VAL 397 Cb -0.10 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 2wxl s VAL 397 CO 0.02 -0.46 1.55 0.58 -3.33 0.00 0.00 175.10 173.46 2wxl h VAL 398 N 3.72 1.36 -3.51 2.04 2.07 -1.94 0.30 116.25 120.28 2wxl h VAL 398 Ca -0.32 -1.88 -0.38 0.00 0.82 0.00 0.00 66.70 64.94 2wxl h VAL 398 Cb 1.19 1.90 -0.17 0.00 -1.52 0.00 0.00 31.29 32.69 2wxl h VAL 398 CO 0.46 0.57 -0.74 -1.81 0.02 0.00 0.00 177.57 176.07 2wxl s ASP 415 N -6.91 1.88 -0.29 0.57 1.01 -1.26 -4.84 116.67 106.84 2wxl s ASP 415 Ca -0.05 -0.88 0.01 0.00 0.71 0.00 0.00 52.55 52.34 2wxl s ASP 415 Cb 0.12 -0.04 0.09 0.00 1.01 0.00 0.00 42.92 44.09 2wxl s ASP 415 CO 0.81 -0.21 0.04 0.00 0.21 0.00 0.00 175.17 176.02 2wxl s PRO 417 N 1.36 4.16 -0.03 0.00 0.02 -1.26 -0.48 135.00 138.76 2wxl s PRO 417 Ca 0.05 1.72 -0.06 0.00 0.02 0.00 0.00 61.00 62.73 2wxl s PRO 417 Cb -0.18 -2.69 -0.03 0.00 0.02 0.00 0.00 34.50 31.62 2wxl s PRO 417 CO -0.14 -0.19 -0.12 -0.89 -0.33 0.00 0.00 177.00 175.32 2wxl n ILE 418 N 0.16 1.03 -3.77 2.83 5.41 -0.35 -4.77 119.36 119.90 2wxl n ILE 418 Ca 0.04 0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.84 2wxl n ILE 418 Cb 0.47 -1.77 -0.03 0.00 -0.71 0.00 0.00 39.64 37.60 2wxl n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wxl s ALA 419 N -2.26 -1.02 0.09 -1.39 0.00 -0.74 -1.58 121.76 114.85 2wxl s ALA 419 Ca -0.11 -0.24 -0.03 0.00 0.00 0.00 0.00 51.96 51.58 2wxl s ALA 419 Cb 0.03 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.00 2wxl s ALA 419 CO 0.16 -0.88 0.05 1.67 0.00 0.00 0.00 175.76 176.76 2wxl s TRP 420 N -3.89 0.56 -0.28 0.00 1.48 -0.64 -0.51 118.94 115.66 2wxl s TRP 420 Ca 0.10 -1.02 -0.21 0.00 -1.06 0.00 0.00 56.10 53.91 2wxl s TRP 420 Cb -0.03 -0.34 0.09 0.00 -1.16 0.00 0.00 33.47 32.03 2wxl s TRP 420 CO 0.00 -0.47 0.78 0.00 -4.06 0.00 0.00 176.95 173.20 2wxl s ALA 421 N -3.95 -1.89 0.14 2.67 0.00 -0.87 -1.02 121.76 116.84 2wxl s ALA 421 Ca 0.12 2.17 0.11 0.00 0.00 0.00 0.00 51.96 54.36 2wxl s ALA 421 Cb 0.07 -1.35 -0.04 0.00 0.00 0.00 0.00 23.12 21.80 2wxl s ALA 421 CO -0.06 -0.34 -0.25 -0.80 0.00 0.00 0.00 175.76 174.31 2wxl s ASN 422 N 0.90 3.22 0.00 0.00 0.01 -1.26 -0.39 114.94 117.43 2wxl s ASN 422 Ca -0.04 -0.78 -0.11 0.00 -0.71 0.00 0.00 52.86 51.23 2wxl s ASN 422 Cb -0.05 -0.22 0.01 0.00 0.41 0.00 0.00 41.25 41.41 2wxl s ASN 422 CO -0.09 0.14 0.21 -1.48 -1.51 0.00 0.00 177.10 174.38 2wxl s LEU 423 N -2.22 1.25 0.26 0.60 0.05 -0.65 -4.27 118.68 113.70 2wxl s LEU 423 Ca 0.15 -0.12 -0.30 0.00 0.05 0.00 0.00 54.13 53.91 2wxl s LEU 423 Cb -0.09 0.95 -0.09 0.00 -2.05 0.00 0.00 46.19 44.91 2wxl s LEU 423 CO 0.07 -0.43 1.16 -0.04 -0.55 0.00 0.00 176.35 176.55 2wxl s MET 424 N -1.55 4.55 0.24 1.48 -1.94 -1.26 -0.25 119.30 120.57 2wxl s MET 424 Ca -0.13 1.88 0.12 0.00 -1.71 0.00 0.00 55.69 55.85 2wxl s MET 424 Cb -0.06 -3.19 0.18 0.00 2.01 0.00 0.00 34.83 33.77 2wxl s MET 424 CO 0.02 0.06 1.49 -0.07 -0.01 0.00 0.00 175.02 176.51 2wxl h LEU 425 N 4.22 0.00 -9.89 -0.03 3.38 -1.28 -3.44 115.31 108.28 2wxl h LEU 425 Ca -0.46 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 56.92 2wxl h LEU 425 Cb 1.21 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.92 2wxl h LEU 425 CO 0.69 0.67 -0.52 -0.36 0.09 0.00 0.00 178.44 179.02 2wxl s PHE 426 N -3.18 3.39 0.70 1.13 0.08 -1.26 -1.14 117.98 117.69 2wxl s PHE 426 Ca 0.01 0.13 -0.03 0.00 0.12 0.00 0.00 56.93 57.16 2wxl s PHE 426 Cb 0.10 -1.66 0.14 0.00 -0.57 0.00 0.00 43.02 41.04 2wxl s PHE 426 CO 0.76 0.54 0.96 -0.40 -0.10 0.00 0.00 175.22 176.98 2wxl n ASP 427 N -0.08 1.05 0.00 1.36 5.75 -0.17 -4.91 116.55 119.54 2wxl n ASP 427 Ca -0.07 -1.94 0.05 0.00 -0.01 0.00 0.00 54.79 52.82 2wxl n ASP 427 Cb 0.53 -0.64 0.23 0.00 -1.03 0.00 0.00 41.12 40.20 2wxl n ASP 427 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wxl n TYR 428 N -2.88 0.00 -0.99 2.11 4.11 -1.26 -1.26 117.16 116.98 2wxl n TYR 428 Ca 0.15 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.13 2wxl n TYR 428 Cb 0.54 -0.50 0.28 0.00 -0.00 0.00 0.00 39.34 39.66 2wxl n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wxl n LYS 429 N -1.50 3.16 -0.93 -3.48 5.02 -1.26 -4.97 118.16 114.21 2wxl n LYS 429 Ca 0.03 -2.89 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 2wxl n LYS 429 Cb 0.12 -1.90 0.00 0.00 -0.02 0.00 0.00 35.03 33.23 2wxl n LYS 429 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2wxl n ASP 430 N -0.38 -2.41 -4.75 4.39 8.00 -0.39 -4.88 116.55 116.13 2wxl n ASP 430 Ca 0.22 0.00 -0.40 0.00 0.71 0.00 0.00 54.79 55.32 2wxl n ASP 430 Cb 0.94 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 40.68 2wxl n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxl s GLN 431 N -0.58 4.61 0.22 -1.24 0.74 -1.26 -0.20 119.66 121.96 2wxl s GLN 431 Ca 0.00 1.25 -0.31 0.00 0.05 0.00 0.00 55.36 56.35 2wxl s GLN 431 Cb 0.00 -3.34 -0.10 0.00 1.10 0.00 0.00 33.01 30.67 2wxl s GLN 431 CO 0.00 0.34 1.50 -1.17 -0.55 0.00 0.00 175.29 175.42 2wxl s LEU 432 N -0.37 4.38 0.24 3.68 2.96 0.43 -1.00 118.68 128.99 2wxl s LEU 432 Ca 0.41 2.67 -0.30 0.00 -0.22 0.00 0.00 54.13 56.69 2wxl s LEU 432 Cb -0.22 -3.61 -0.09 0.00 0.50 0.00 0.00 46.19 42.77 2wxl s LEU 432 CO 0.27 -0.77 1.09 -0.54 -1.32 0.00 0.00 176.35 175.08 2wxl s LYS 433 N 0.23 4.63 0.12 1.98 1.02 -0.29 -4.78 119.74 122.65 2wxl s LYS 433 Ca 0.64 1.76 -0.15 0.00 0.02 0.00 0.00 55.97 58.24 2wxl s LYS 433 Cb -0.43 -3.23 0.03 0.00 -0.52 0.00 0.00 37.83 33.68 2wxl s LYS 433 CO 0.39 0.17 0.37 0.95 -0.92 0.00 0.00 175.35 176.31 2wxl s THR 434 N -0.80 0.08 0.00 2.17 -4.23 -1.26 -4.77 115.64 106.83 2wxl s THR 434 Ca 0.46 -0.69 0.00 0.00 -1.18 0.00 0.00 61.69 60.28 2wxl s THR 434 Cb -0.31 -1.22 0.00 0.00 1.34 0.00 0.00 72.50 72.31 2wxl s THR 434 CO 0.38 -0.36 0.00 0.61 -0.54 0.00 0.00 174.62 174.71 2wxl n GLY 435 N -0.20 -0.12 3.79 3.99 0.00 -1.25 -4.99 105.19 106.40 2wxl n GLY 435 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2wxl n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxl s GLU 436 N -0.53 4.26 -0.01 1.61 2.12 -1.26 0.25 118.70 125.14 2wxl s GLU 436 Ca 0.00 1.41 -0.05 0.00 0.36 0.00 0.00 54.97 56.69 2wxl s GLU 436 Cb 0.00 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.85 2wxl s GLU 436 CO 0.00 -0.04 0.10 1.03 -0.54 0.00 0.00 175.26 175.82 2wxl s ARG 437 N -2.50 0.35 -0.26 4.30 3.00 0.63 -4.89 118.95 119.57 2wxl s ARG 437 Ca 0.57 -0.25 -0.05 0.00 0.00 0.00 0.00 55.73 55.99 2wxl s ARG 437 Cb -0.19 0.14 0.00 0.00 0.00 0.00 0.00 34.95 34.90 2wxl s ARG 437 CO 0.25 -0.07 0.02 0.00 0.00 0.00 0.00 175.30 175.49 2wxl s LEU 439 N 1.48 5.16 -0.37 0.00 1.43 0.33 -4.94 118.68 121.77 2wxl s LEU 439 Ca 0.04 -1.53 -0.29 0.00 -1.03 0.00 0.00 54.13 51.32 2wxl s LEU 439 Cb -0.16 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2wxl s LEU 439 CO -0.00 -0.54 1.30 -0.31 0.23 0.00 0.00 176.35 177.02 2wxl s TYR 440 N 1.41 2.64 0.38 0.29 2.02 -1.26 -1.00 117.35 121.82 2wxl s TYR 440 Ca 0.03 0.79 -0.08 0.00 -0.37 0.00 0.00 57.07 57.45 2wxl s TYR 440 Cb -0.23 -4.13 -0.06 0.00 -0.40 0.00 0.00 41.96 37.14 2wxl s TYR 440 CO 0.02 -1.67 0.70 -1.64 -1.57 0.00 0.00 175.55 171.39 2wxl s MET 441 N 4.46 3.70 -0.13 -0.62 -1.94 0.38 -0.43 119.30 124.73 2wxl s MET 441 Ca 0.56 0.28 -0.09 0.00 -1.71 0.00 0.00 55.69 54.72 2wxl s MET 441 Cb -0.13 -2.47 -0.05 0.00 2.01 0.00 0.00 34.83 34.19 2wxl s MET 441 CO 0.28 0.03 0.18 -1.58 -0.01 0.00 0.00 175.02 173.91 2wxl s TRP 442 N -2.32 3.55 0.53 -0.03 0.52 -0.19 -4.41 118.94 116.59 2wxl s TRP 442 Ca 0.48 0.53 -0.20 0.00 0.02 0.00 0.00 56.10 56.94 2wxl s TRP 442 Cb -0.10 -2.08 -0.06 0.00 -1.15 0.00 0.00 33.47 30.07 2wxl s TRP 442 CO 0.32 0.55 1.12 -1.25 0.02 0.00 0.00 176.95 177.72 2wxl s PRO 443 N -0.49 3.44 0.46 4.98 0.05 -1.26 -1.62 135.00 140.55 2wxl s PRO 443 Ca 0.14 1.59 -0.07 0.00 0.05 0.00 0.00 61.00 62.72 2wxl s PRO 443 Cb -0.12 -2.04 -0.04 0.00 0.05 0.00 0.00 34.50 32.34 2wxl s PRO 443 CO 0.03 -0.77 0.78 -1.12 0.05 0.00 0.00 177.00 175.97 2wxl s SER 444 N -1.77 6.33 0.00 6.66 0.01 -0.62 -4.85 113.70 119.47 2wxl s SER 444 Ca 0.71 0.98 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2wxl s SER 444 Cb -0.23 -2.27 0.00 0.00 0.21 0.00 0.00 66.02 63.73 2wxl s SER 444 CO 0.26 -0.53 0.00 0.55 0.41 0.00 0.00 173.24 173.94 2wxl n VAL 445 N -1.99 0.00 -0.02 3.43 3.14 -1.26 -5.01 118.33 116.61 2wxl n VAL 445 Ca 0.01 0.00 -0.02 0.00 -2.96 0.00 0.00 64.34 61.37 2wxl n VAL 445 Cb 0.55 0.00 -0.04 0.00 -1.06 0.00 0.00 33.84 33.29 2wxl n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxl n LEU 452 N 0.00 0.00 -4.76 6.55 7.99 -1.26 -5.23 117.00 120.28 2wxl n LEU 452 Ca 0.00 0.00 -0.40 0.00 -0.01 0.00 0.00 56.01 55.60 2wxl n LEU 452 Cb 0.00 0.12 -0.03 0.00 -0.11 0.00 0.00 43.42 43.40 2wxl n LEU 452 CO 0.00 0.12 0.87 -0.76 -1.51 0.00 0.00 177.39 176.11 2wxl s LEU 453 N -4.35 4.46 -0.54 2.23 1.02 -1.26 -4.83 118.68 115.41 2wxl s LEU 453 Ca -0.02 2.44 0.07 0.00 0.02 0.00 0.00 54.13 56.63 2wxl s LEU 453 Cb 0.02 -3.69 0.26 0.00 0.02 0.00 0.00 46.19 42.79 2wxl s LEU 453 CO 0.20 -0.36 0.67 -3.20 0.02 0.00 0.00 176.35 173.69 2wxl n ASN 454 N 0.90 2.42 0.28 2.29 5.15 -1.26 -4.97 115.26 120.07 2wxl n ASN 454 Ca -0.00 -3.17 0.13 0.00 -0.60 0.00 0.00 54.58 50.94 2wxl n ASN 454 Cb 0.44 -0.65 0.83 0.00 -0.53 0.00 0.00 39.78 39.87 2wxl n ASN 454 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wxl h PRO 455 N 4.03 0.00 -0.00 1.20 0.13 -1.95 -0.05 132.00 135.35 2wxl h PRO 455 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 2wxl h PRO 455 Cb 0.74 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.87 2wxl h PRO 455 CO 0.69 0.00 -0.19 0.00 -0.23 0.00 0.00 178.00 178.27 2wxl n ALA 456 N -2.39 2.88 -1.52 -0.56 0.00 -1.26 -4.86 120.51 112.80 2wxl n ALA 456 Ca -0.03 -0.27 -0.33 0.00 0.00 0.00 0.00 53.44 52.81 2wxl n ALA 456 Cb 0.09 -1.29 0.05 0.00 0.00 0.00 0.00 19.45 18.30 2wxl n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxl s GLY 457 N -2.68 2.21 0.57 0.00 0.00 -0.04 -4.87 107.32 102.52 2wxl s GLY 457 Ca 0.22 0.60 -0.18 0.00 0.00 0.00 0.00 44.72 45.35 2wxl s GLY 457 CO 0.54 0.95 0.61 -0.37 0.00 0.00 0.00 173.10 174.83 2wxl n THR 458 N -2.35 2.56 -0.91 0.90 5.66 -1.26 -4.87 114.28 114.01 2wxl n THR 458 Ca 0.11 -0.50 0.08 0.00 -3.05 0.00 0.00 64.05 60.68 2wxl n THR 458 Cb 0.52 -0.77 0.36 0.00 -1.55 0.00 0.00 70.33 68.88 2wxl n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxl n VAL 459 N -1.70 2.56 -4.47 1.08 0.24 -1.26 -4.08 118.33 110.70 2wxl n VAL 459 Ca 0.12 -1.54 -0.32 0.00 -2.04 0.00 0.00 64.34 60.57 2wxl n VAL 459 Cb 0.47 -0.24 -0.11 0.00 -1.47 0.00 0.00 33.84 32.50 2wxl n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxl s ARG 460 N -2.72 2.41 0.77 7.34 3.52 -1.26 -4.55 118.95 124.47 2wxl s ARG 460 Ca 0.51 -0.81 -0.12 0.00 -0.13 0.00 0.00 55.73 55.18 2wxl s ARG 460 Cb 0.39 -2.42 0.06 0.00 -1.56 0.00 0.00 34.95 31.42 2wxl s ARG 460 CO 0.14 0.58 1.12 0.20 -0.81 0.00 0.00 175.30 176.54 2wxl s GLY 461 N -1.51 1.87 0.04 8.12 0.00 -1.26 -4.88 107.32 109.70 2wxl s GLY 461 Ca 0.17 0.48 -0.30 0.00 0.00 0.00 0.00 44.72 45.07 2wxl s GLY 461 CO 0.08 0.86 1.87 0.21 0.00 0.00 0.00 173.10 176.11 2wxl s ASN 462 N -2.87 6.49 0.24 1.64 3.84 0.43 -4.90 114.94 119.80 2wxl s ASN 462 Ca 0.65 2.60 0.23 0.00 0.21 0.00 0.00 52.86 56.55 2wxl s ASN 462 Cb -0.21 -2.54 0.95 0.00 -0.55 0.00 0.00 41.25 38.91 2wxl s ASN 462 CO 0.52 -1.01 1.68 -0.81 -2.79 0.00 0.00 177.10 174.69 2wxl n PRO 463 N 7.02 0.17 -2.32 0.43 -0.04 -1.26 -4.01 135.00 135.00 2wxl n PRO 463 Ca 0.19 0.42 -0.43 0.00 -0.04 0.00 0.00 63.50 63.64 2wxl n PRO 463 Cb 0.41 -1.84 0.00 0.00 -0.04 0.00 0.00 33.50 32.03 2wxl n PRO 463 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 2wxl n ASN 464 N -2.17 4.72 0.21 3.54 2.85 -1.26 -4.75 115.26 118.40 2wxl n ASN 464 Ca 0.02 -2.96 0.07 0.00 -0.11 0.00 0.00 54.58 51.59 2wxl n ASN 464 Cb 0.21 -1.61 0.48 0.00 1.24 0.00 0.00 39.78 40.10 2wxl n ASN 464 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2wxl h THR 465 N 4.37 0.93 -0.93 -0.44 1.35 -1.93 -0.87 112.91 115.40 2wxl h THR 465 Ca 0.44 -1.07 0.05 0.00 -0.55 0.00 0.00 66.41 65.28 2wxl h THR 465 Cb 0.73 1.63 -0.06 0.00 -1.73 0.00 0.00 68.15 68.72 2wxl h THR 465 CO 1.60 0.28 0.61 -0.08 -0.25 0.00 0.00 175.52 177.67 2wxl h GLU 466 N 0.00 1.08 0.00 4.72 4.81 -1.95 -3.36 114.58 119.89 2wxl h GLU 466 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wxl h GLU 466 Cb 0.60 -0.24 0.00 0.00 0.63 0.00 0.00 28.75 29.74 2wxl h GLU 466 CO 0.04 0.72 -0.36 0.43 -0.73 0.00 0.00 179.01 179.10 2wxl n SER 467 N -4.46 1.81 -4.76 1.04 7.64 -1.15 -5.05 113.62 108.70 2wxl n SER 467 Ca 0.13 -0.27 -0.40 0.00 1.01 0.00 0.00 58.87 59.34 2wxl n SER 467 Cb 0.14 0.91 -0.04 0.00 -1.01 0.00 0.00 64.21 64.21 2wxl n SER 467 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxl s ALA 468 N -1.27 3.41 0.61 -0.43 0.00 -0.34 -5.01 121.76 118.72 2wxl s ALA 468 Ca 0.00 0.89 -0.19 0.00 0.00 0.00 0.00 51.96 52.66 2wxl s ALA 468 Cb 0.00 -3.33 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2wxl s ALA 468 CO 0.00 -0.17 1.25 0.00 0.00 0.00 0.00 175.76 176.84 2wxl n ALA 469 N 1.35 1.08 -3.23 0.00 0.00 -1.26 -4.79 120.51 113.66 2wxl n ALA 469 Ca -0.01 0.04 -0.16 0.00 0.00 0.00 0.00 53.44 53.32 2wxl n ALA 469 Cb 0.45 -2.29 -0.15 0.00 0.00 0.00 0.00 19.45 17.46 2wxl n ALA 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxl s ALA 470 N -1.38 0.35 -0.09 0.00 0.00 -0.82 -0.47 121.76 119.36 2wxl s ALA 470 Ca 0.78 -0.02 -0.00 0.00 0.00 0.00 0.00 51.96 52.72 2wxl s ALA 470 Cb -0.40 -0.21 -0.03 0.00 0.00 0.00 0.00 23.12 22.49 2wxl s ALA 470 CO 0.44 0.01 -0.07 -0.51 0.00 0.00 0.00 175.76 175.63 2wxl s LEU 471 N 0.44 3.10 -0.21 0.00 1.43 -0.17 -1.98 118.68 121.29 2wxl s LEU 471 Ca -0.04 -0.09 -0.05 0.00 -1.03 0.00 0.00 54.13 52.91 2wxl s LEU 471 Cb -0.08 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.43 2wxl s LEU 471 CO -0.01 0.30 0.01 0.68 0.23 0.00 0.00 176.35 177.56 2wxl s VAL 472 N -0.42 3.97 0.34 -1.59 -7.23 -0.65 0.12 120.40 114.95 2wxl s VAL 472 Ca 0.06 -0.30 0.09 0.00 -1.81 0.00 0.00 61.98 60.02 2wxl s VAL 472 Cb -0.12 -2.81 -0.06 0.00 0.56 0.00 0.00 36.38 33.95 2wxl s VAL 472 CO 0.02 0.41 -0.07 0.27 -0.31 0.00 0.00 175.10 175.42 2wxl s ILE 473 N 1.15 2.36 -0.11 -0.62 -4.36 -0.28 -1.74 121.20 117.60 2wxl s ILE 473 Ca 0.03 -2.15 0.02 0.00 -0.26 0.00 0.00 60.65 58.29 2wxl s ILE 473 Cb -0.14 -2.68 0.01 0.00 1.25 0.00 0.00 42.46 40.90 2wxl s ILE 473 CO 0.02 -0.21 -0.17 -0.47 0.24 0.00 0.00 174.94 174.35 2wxl s TYR 474 N -2.58 2.05 -0.30 1.37 5.04 -0.38 -0.27 117.35 122.28 2wxl s TYR 474 Ca 0.33 -0.93 -0.20 0.00 -2.44 0.00 0.00 57.07 53.83 2wxl s TYR 474 Cb 0.01 -1.45 -0.01 0.00 0.35 0.00 0.00 41.96 40.86 2wxl s TYR 474 CO 0.17 -0.46 0.61 -0.51 -1.34 0.00 0.00 175.55 174.02 2wxl s LEU 475 N 0.85 4.14 0.29 6.97 1.02 0.69 -1.96 118.68 130.69 2wxl s LEU 475 Ca -0.09 0.43 -0.29 0.00 0.02 0.00 0.00 54.13 54.21 2wxl s LEU 475 Cb -0.15 -2.78 -0.09 0.00 0.02 0.00 0.00 46.19 43.18 2wxl s LEU 475 CO 0.00 -0.44 1.07 -2.84 0.02 0.00 0.00 176.35 174.15 2wxl s PRO 476 N 2.55 4.60 -0.56 1.29 0.02 -1.26 -3.97 135.00 137.67 2wxl s PRO 476 Ca 0.24 1.71 -0.28 0.00 0.02 0.00 0.00 61.00 62.70 2wxl s PRO 476 Cb -0.15 -3.10 0.01 0.00 0.02 0.00 0.00 34.50 31.28 2wxl s PRO 476 CO 0.11 0.20 1.51 -1.83 -0.33 0.00 0.00 177.00 176.66 2wxl s GLU 477 N -1.58 3.19 0.00 5.54 -1.05 -1.26 -4.87 118.70 118.67 2wxl s GLU 477 Ca 0.46 0.53 0.29 0.00 -0.15 0.00 0.00 54.97 56.10 2wxl s GLU 477 Cb -0.29 -4.17 1.33 0.00 -0.44 0.00 0.00 34.13 30.55 2wxl s GLU 477 CO 0.37 -2.06 1.91 1.33 0.95 0.00 0.00 175.26 177.76 2wxl n VAL 478 N 6.93 0.00 0.00 1.83 0.24 -1.26 -5.18 118.33 120.89 2wxl n VAL 478 Ca 0.14 -0.10 0.00 0.00 -2.04 0.00 0.00 64.34 62.34 2wxl n VAL 478 Cb 0.49 -0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.86 2wxl n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxl n ALA 479 N -0.62 0.15 -2.62 2.33 0.00 -1.26 -5.04 120.51 113.45 2wxl n ALA 479 Ca 0.18 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.24 2wxl n ALA 479 Cb 0.26 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.65 2wxl n ALA 479 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2wxl s PRO 482 N 0.73 4.19 -0.09 0.00 0.04 -1.26 -5.24 135.00 133.37 2wxl s PRO 482 Ca 0.00 0.43 0.04 0.00 0.04 0.00 0.00 61.00 61.51 2wxl s PRO 482 Cb 0.00 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 31.19 2wxl s PRO 482 CO 0.00 0.36 -0.23 0.14 0.04 0.00 0.00 177.00 177.32 2wxl s VAL 483 N -0.04 1.95 0.16 -0.36 -7.23 -1.26 -5.04 120.40 108.57 2wxl s VAL 483 Ca 0.25 -0.96 0.04 0.00 -1.81 0.00 0.00 61.98 59.50 2wxl s VAL 483 Cb -0.16 -1.69 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2wxl s VAL 483 CO 0.11 0.54 0.16 -0.31 -0.31 0.00 0.00 175.10 175.28 2wxl s TYR 484 N 0.36 3.21 0.41 2.82 2.02 -1.26 -0.43 117.35 124.48 2wxl s TYR 484 Ca -0.18 0.01 -0.27 0.00 -0.37 0.00 0.00 57.07 56.26 2wxl s TYR 484 Cb -0.18 -1.54 -0.10 0.00 -0.40 0.00 0.00 41.96 39.74 2wxl s TYR 484 CO 0.08 0.52 1.47 0.12 -1.57 0.00 0.00 175.55 176.17 2wxl s PHE 485 N -1.72 2.51 0.47 2.71 2.19 0.72 -4.74 117.98 120.12 2wxl s PHE 485 Ca 0.31 1.20 -0.25 0.00 0.33 0.00 0.00 56.93 58.53 2wxl s PHE 485 Cb -0.10 -3.99 -0.08 0.00 -1.31 0.00 0.00 43.02 37.54 2wxl s PHE 485 CO 0.24 -3.01 1.40 -2.14 1.83 0.00 0.00 175.22 173.54 2wxl s PRO 486 N -2.27 3.60 0.67 10.12 0.02 -1.26 -4.96 135.00 140.92 2wxl s PRO 486 Ca 0.57 2.35 -0.15 0.00 0.02 0.00 0.00 61.00 63.79 2wxl s PRO 486 Cb -0.45 -2.58 0.01 0.00 0.02 0.00 0.00 34.50 31.49 2wxl s PRO 486 CO 0.60 -0.86 1.13 0.00 -0.33 0.00 0.00 177.00 177.54 2wxl s ALA 487 N -1.23 2.40 0.26 -1.55 0.00 -1.26 -4.74 121.76 115.64 2wxl s ALA 487 Ca 0.63 0.60 -0.03 0.00 0.00 0.00 0.00 51.96 53.15 2wxl s ALA 487 Cb -0.42 -3.34 0.53 0.00 0.00 0.00 0.00 23.12 19.88 2wxl s ALA 487 CO 0.54 -1.39 1.68 1.25 0.00 0.00 0.00 175.76 177.84 2wxl h LEU 488 N -0.04 0.04 -1.49 0.00 5.85 -1.98 0.94 115.31 118.62 2wxl h LEU 488 Ca -0.47 0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.41 2wxl h LEU 488 Cb 1.25 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 42.46 2wxl h LEU 488 CO 0.53 -0.05 0.35 1.05 -0.34 0.00 0.00 178.44 179.98 2wxl h GLU 489 N 0.27 0.68 -0.19 1.25 4.11 -1.98 0.81 114.58 119.53 2wxl h GLU 489 Ca 0.45 -0.04 -0.21 0.00 0.07 0.00 0.00 59.36 59.63 2wxl h GLU 489 Cb 0.80 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.91 2wxl h GLU 489 CO -0.54 0.45 -0.71 0.87 0.07 0.00 0.00 179.01 179.15 2wxl h LYS 490 N 0.70 0.81 -0.21 1.06 1.79 -1.25 -1.83 116.57 117.64 2wxl h LYS 490 Ca 0.19 -0.62 -0.01 0.00 -2.18 0.00 0.00 60.65 58.04 2wxl h LYS 490 Cb -0.07 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 30.68 2wxl h LYS 490 CO -0.04 1.23 0.11 0.82 -1.08 0.00 0.00 179.45 180.49 2wxl h ILE 491 N 0.57 1.12 -0.22 1.86 1.08 0.40 -2.77 117.51 119.56 2wxl h ILE 491 Ca -0.03 -0.32 0.04 0.00 -0.39 0.00 0.00 64.86 64.15 2wxl h ILE 491 Cb 1.34 0.95 -0.03 0.00 -3.07 0.00 0.00 36.82 36.00 2wxl h ILE 491 CO 0.15 0.11 0.00 -0.07 -0.69 0.00 0.00 178.15 177.66 2wxl h LEU 492 N 0.22 -0.08 -0.85 1.44 3.38 0.54 -2.50 115.31 117.47 2wxl h LEU 492 Ca 0.07 0.05 0.08 0.00 0.09 0.00 0.00 57.88 58.17 2wxl h LEU 492 Cb 0.08 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.81 2wxl h LEU 492 CO -0.01 -0.01 -0.57 -0.33 0.09 0.00 0.00 178.44 177.60 2wxl h GLU 493 N 0.07 -0.09 -6.68 1.13 5.08 -1.25 -3.48 114.58 109.37 2wxl h GLU 493 Ca 0.10 0.01 -0.53 0.00 -1.00 0.00 0.00 59.36 57.94 2wxl h GLU 493 Cb 0.13 0.02 0.05 0.00 0.50 0.00 0.00 28.75 29.45 2wxl h GLU 493 CO -0.17 -0.06 0.78 -1.17 -1.00 0.00 0.00 179.01 177.39 2wxl s LEU 494 N -10.40 4.38 0.00 1.33 2.96 -0.94 -5.11 118.68 110.90 2wxl s LEU 494 Ca -0.12 2.59 0.00 0.00 -0.22 0.00 0.00 54.13 56.38 2wxl s LEU 494 Cb 0.10 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.18 2wxl s LEU 494 CO 0.61 -0.72 0.00 1.67 -1.32 0.00 0.00 176.35 176.59 2wxl n GLN 510 N 3.01 0.00 -0.09 1.98 -0.06 -1.26 -4.87 117.38 116.09 2wxl n GLN 510 Ca 0.09 0.00 0.02 0.00 -2.00 0.00 0.00 57.00 55.11 2wxl n GLN 510 Cb 0.40 0.00 0.06 0.00 -4.06 0.00 0.00 30.24 26.65 2wxl n GLN 510 CO 0.00 0.00 0.00 1.47 -0.20 0.00 0.00 177.06 178.33 2wxl n LEU 511 N 0.00 0.93 -0.12 1.69 -0.00 -1.26 -3.95 117.00 114.29 2wxl n LEU 511 Ca 0.00 -0.46 -0.10 0.00 -0.00 0.00 0.00 56.01 55.44 2wxl n LEU 511 Cb 0.00 -0.16 -0.02 0.00 -0.00 0.00 0.00 43.42 43.24 2wxl n LEU 511 CO 0.00 0.21 0.83 0.03 -0.00 0.00 0.00 177.39 178.46 2wxl h ARG 512 N 0.81 0.56 0.00 1.47 3.08 -1.99 -3.08 114.38 115.24 2wxl h ARG 512 Ca 0.00 -0.15 -0.00 0.00 0.07 0.00 0.00 59.98 59.90 2wxl h ARG 512 Cb 0.28 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.26 2wxl h ARG 512 CO 0.01 0.63 -0.00 0.93 -1.07 0.00 0.00 179.97 180.47 2wxl h GLU 513 N 0.40 -0.00 0.00 0.04 5.08 -1.90 0.48 114.58 118.67 2wxl h GLU 513 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wxl h GLU 513 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2wxl h GLU 513 CO 0.01 0.08 0.19 0.97 -1.00 0.00 0.00 179.01 179.25 2wxl h ILE 514 N -0.08 0.00 0.00 3.13 6.09 -1.79 0.18 117.51 125.04 2wxl h ILE 514 Ca -0.00 0.00 -0.15 0.00 -1.37 0.00 0.00 64.86 63.34 2wxl h ILE 514 Cb 0.08 0.48 -0.03 0.00 0.47 0.00 0.00 36.82 37.82 2wxl h ILE 514 CO 0.00 0.00 -1.58 0.00 -3.07 0.00 0.00 178.15 173.50 2wxl n LEU 515 N -2.35 0.32 -3.35 2.19 -0.00 -1.04 -4.82 117.00 107.94 2wxl n LEU 515 Ca -0.01 -0.01 -0.37 0.00 -0.00 0.00 0.00 56.01 55.61 2wxl n LEU 515 Cb 0.22 0.15 -0.03 0.00 -0.00 0.00 0.00 43.42 43.76 2wxl n LEU 515 CO 0.10 0.26 3.20 1.21 -0.00 0.00 0.00 177.39 182.15 2wxl n GLU 516 N -2.36 3.39 0.00 1.47 2.13 0.17 -5.11 120.64 120.32 2wxl n GLU 516 Ca -0.14 -2.16 0.00 0.00 0.66 0.00 0.00 57.16 55.52 2wxl n GLU 516 Cb 0.77 -2.82 0.00 0.00 0.27 0.00 0.00 31.44 29.66 2wxl n GLU 516 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 2wxl n ARG 517 N 4.00 0.00 0.00 5.31 1.74 -1.26 -4.88 116.66 121.57 2wxl n ARG 517 Ca 0.72 -0.15 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2wxl n ARG 517 Cb 0.24 -0.32 0.00 0.00 -1.02 0.00 0.00 32.46 31.36 2wxl n ARG 517 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2wxl n GLU 522 N 0.00 0.00 -4.14 5.56 1.02 -1.26 -5.23 120.64 116.59 2wxl n GLU 522 Ca 0.00 0.00 -0.16 0.00 -0.02 0.00 0.00 57.16 56.98 2wxl n GLU 522 Cb 0.37 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.67 2wxl n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxl s LEU 523 N 0.00 2.24 0.84 -4.62 2.34 -1.26 -5.15 118.68 113.07 2wxl s LEU 523 Ca 0.00 -0.54 -0.11 0.00 0.06 0.00 0.00 54.13 53.54 2wxl s LEU 523 Cb 0.00 -0.35 0.09 0.00 -0.56 0.00 0.00 46.19 45.37 2wxl s LEU 523 CO 0.00 -0.11 1.09 -0.31 -1.06 0.00 0.00 176.35 175.96 2wxl s TYR 524 N -1.20 2.45 0.23 3.48 2.02 -1.26 -4.77 117.35 118.30 2wxl s TYR 524 Ca -0.05 1.39 -0.05 0.00 -0.37 0.00 0.00 57.07 57.99 2wxl s TYR 524 Cb -0.09 -3.11 0.23 0.00 -0.40 0.00 0.00 41.96 38.59 2wxl s TYR 524 CO 0.01 -2.10 1.75 1.49 -1.57 0.00 0.00 175.55 175.14 2wxl h GLU 525 N -1.34 1.00 -0.50 -0.62 4.57 -2.01 0.27 114.58 115.96 2wxl h GLU 525 Ca -0.47 -0.24 -0.12 0.00 -1.18 0.00 0.00 59.36 57.36 2wxl h GLU 525 Cb 1.26 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 29.70 2wxl h GLU 525 CO 0.53 0.91 -0.15 1.12 -1.18 0.00 0.00 179.01 180.24 2wxl h HIS 526 N 0.95 1.08 -0.59 0.92 2.07 -1.99 0.58 115.15 118.18 2wxl h HIS 526 Ca 0.20 -0.23 0.00 0.00 -2.85 0.00 0.00 60.37 57.49 2wxl h HIS 526 Cb 0.37 -0.26 -0.03 0.00 2.57 0.00 0.00 27.41 30.06 2wxl h HIS 526 CO 0.03 1.03 0.38 0.93 -3.07 0.00 0.00 177.93 177.23 2wxl h GLU 527 N 0.85 0.79 -0.95 5.12 5.08 -1.76 -1.65 114.58 122.06 2wxl h GLU 527 Ca 0.13 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.50 2wxl h GLU 527 Cb 0.71 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.71 2wxl h GLU 527 CO 0.05 0.54 0.60 0.87 -1.00 0.00 0.00 179.01 180.07 2wxl h LYS 528 N 0.80 1.04 -0.50 2.33 1.57 -0.06 -2.73 116.57 119.01 2wxl h LYS 528 Ca 0.22 -0.06 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 2wxl h LYS 528 Cb -0.07 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.99 2wxl h LYS 528 CO -0.04 0.69 0.00 -0.44 -0.57 0.00 0.00 179.45 179.08 2wxl h ASP 529 N 1.07 0.87 -0.50 0.86 5.19 -0.17 -2.39 116.42 121.35 2wxl h ASP 529 Ca 0.42 -0.31 -0.07 0.00 -0.62 0.00 0.00 57.03 56.46 2wxl h ASP 529 Cb 0.22 -0.23 -0.02 0.00 0.18 0.00 0.00 39.33 39.48 2wxl h ASP 529 CO -0.19 0.96 0.04 0.25 -3.12 0.00 0.00 179.24 177.18 2wxl h LEU 530 N 0.75 0.83 -0.14 1.55 5.85 -1.18 -0.19 115.31 122.77 2wxl h LEU 530 Ca 0.14 -0.29 0.04 0.00 0.84 0.00 0.00 57.88 58.61 2wxl h LEU 530 Cb 0.51 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2wxl h LEU 530 CO 0.03 0.91 -0.08 0.58 -0.34 0.00 0.00 178.44 179.53 2wxl h VAL 531 N 0.73 0.74 -0.33 1.05 2.07 -1.44 0.44 116.25 119.51 2wxl h VAL 531 Ca 0.15 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.65 2wxl h VAL 531 Cb 0.46 0.74 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 2wxl h VAL 531 CO 0.02 0.00 0.16 -0.25 0.02 0.00 0.00 177.57 177.52 2wxl h TRP 532 N -0.08 0.47 -0.89 1.57 2.91 -1.35 -2.42 115.95 116.16 2wxl h TRP 532 Ca 0.08 -0.02 0.13 0.00 1.13 0.00 0.00 58.89 60.22 2wxl h TRP 532 Cb 0.20 -0.15 -0.09 0.00 -0.51 0.00 0.00 29.16 28.62 2wxl h TRP 532 CO -0.22 0.41 0.50 -0.22 -1.03 0.00 0.00 178.44 177.88 2wxl h LYS 533 N 0.39 0.72 -0.84 2.65 1.63 -0.68 -2.51 116.57 117.93 2wxl h LYS 533 Ca 0.11 -0.04 -0.54 0.00 -0.85 0.00 0.00 60.65 59.32 2wxl h LYS 533 Cb 0.11 -0.16 -0.29 0.00 -0.60 0.00 0.00 32.23 31.29 2wxl h LYS 533 CO -0.01 0.48 0.34 -1.33 -3.45 0.00 0.00 179.45 175.48 2wxl n MET 534 N -4.78 2.65 0.23 1.90 2.81 0.12 -4.67 117.12 115.38 2wxl n MET 534 Ca 0.17 -3.40 0.06 0.00 -1.81 0.00 0.00 57.70 52.73 2wxl n MET 534 Cb 0.40 -2.19 0.54 0.00 -0.71 0.00 0.00 33.22 31.26 2wxl n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxl h ARG 535 N 1.69 0.00 -0.22 0.03 0.11 -0.97 -2.02 114.38 112.99 2wxl h ARG 535 Ca 0.51 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 60.54 2wxl h ARG 535 Cb 1.47 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.55 2wxl h ARG 535 CO 1.15 0.16 -0.03 0.45 0.10 0.00 0.00 179.97 181.79 2wxl h HIS 536 N 0.00 0.47 -0.64 4.08 3.86 -1.86 -2.08 115.15 118.97 2wxl h HIS 536 Ca -0.00 -0.09 0.01 0.00 -1.16 0.00 0.00 60.37 59.13 2wxl h HIS 536 Cb 0.29 -0.12 -0.03 0.00 1.06 0.00 0.00 27.41 28.61 2wxl h HIS 536 CO 0.00 0.63 0.43 0.93 0.86 0.00 0.00 177.93 180.78 2wxl h GLU 537 N 0.16 0.83 0.24 2.45 3.07 -1.83 0.14 114.58 119.64 2wxl h GLU 537 Ca 0.06 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.86 2wxl h GLU 537 Cb 0.47 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 2wxl h GLU 537 CO 0.02 0.55 -0.11 0.28 -1.40 0.00 0.00 179.01 178.34 2wxl h VAL 538 N 0.85 0.78 -0.73 3.13 2.07 -1.19 0.36 116.25 121.52 2wxl h VAL 538 Ca 0.24 -0.06 0.04 0.00 0.82 0.00 0.00 66.70 67.74 2wxl h VAL 538 Cb -0.07 0.81 -0.05 0.00 -1.52 0.00 0.00 31.29 30.47 2wxl h VAL 538 CO -0.06 0.01 0.45 -0.61 0.02 0.00 0.00 177.57 177.39 2wxl h GLN 539 N -0.35 0.83 -0.12 1.57 4.15 -0.99 0.19 115.11 120.40 2wxl h GLN 539 Ca -0.03 -0.05 -0.20 0.00 0.77 0.00 0.00 58.65 59.14 2wxl h GLN 539 Cb 0.27 -0.19 0.01 0.00 0.21 0.00 0.00 27.48 27.78 2wxl h GLN 539 CO 0.05 0.55 -0.70 0.93 -1.93 0.00 0.00 178.83 177.73 2wxl h GLU 540 N 0.86 0.68 0.00 1.69 5.08 -0.43 -3.36 114.58 119.10 2wxl h GLU 540 Ca 0.30 -0.58 0.00 0.00 -1.00 0.00 0.00 59.36 58.09 2wxl h GLU 540 Cb 0.08 0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2wxl h GLU 540 CO -0.13 1.19 0.00 0.72 -1.00 0.00 0.00 179.01 179.79 2wxl n HIS 541 N -4.04 0.00 -2.68 4.33 8.25 0.12 -4.80 115.22 116.41 2wxl n HIS 541 Ca -0.08 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.29 2wxl n HIS 541 Cb 0.71 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.85 2wxl n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxl n PHE 542 N -0.47 0.73 0.14 4.41 3.72 0.59 -4.97 117.46 121.61 2wxl n PHE 542 Ca 0.00 -2.72 0.15 0.00 -0.05 0.00 0.00 57.45 54.83 2wxl n PHE 542 Cb 0.02 -0.16 0.70 0.00 -0.94 0.00 0.00 39.48 39.10 2wxl n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxl h PRO 543 N 2.89 0.00 0.00 -1.08 0.13 -1.50 0.21 132.00 132.65 2wxl h PRO 543 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2wxl h PRO 543 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2wxl h PRO 543 CO 0.44 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.60 2wxl n GLU 544 N -4.31 0.37 -0.52 0.86 1.02 -1.26 -2.38 120.64 114.43 2wxl n GLU 544 Ca 0.03 0.07 0.06 0.00 -0.02 0.00 0.00 57.16 57.30 2wxl n GLU 544 Cb 0.36 -1.50 0.26 0.00 -0.02 0.00 0.00 31.44 30.54 2wxl n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxl n ALA 545 N -1.24 3.16 -0.36 0.62 0.00 0.06 -4.52 120.51 118.24 2wxl n ALA 545 Ca 0.11 -1.19 0.08 0.00 0.00 0.00 0.00 53.44 52.44 2wxl n ALA 545 Cb 0.16 -1.05 0.25 0.00 0.00 0.00 0.00 19.45 18.81 2wxl n ALA 545 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxl h LEU 546 N 2.81 0.90 -0.87 0.00 5.85 -1.64 -2.13 115.31 120.23 2wxl h LEU 546 Ca 0.00 0.06 -0.03 0.00 0.84 0.00 0.00 57.88 58.74 2wxl h LEU 546 Cb 1.28 -0.12 -0.04 0.00 0.37 0.00 0.00 40.66 42.15 2wxl h LEU 546 CO 0.24 0.46 0.40 0.00 -0.34 0.00 0.00 178.44 179.20 2wxl h ALA 547 N 1.55 1.11 -0.14 1.25 0.00 -1.88 -0.83 119.26 120.32 2wxl h ALA 547 Ca 0.51 -0.17 -0.13 0.00 0.00 0.00 0.00 54.91 55.13 2wxl h ALA 547 Cb 0.54 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2wxl h ALA 547 CO -0.28 0.67 -0.46 -0.09 0.00 0.00 0.00 179.25 179.09 2wxl h ARG 548 N 1.20 0.35 -0.24 0.00 2.43 -1.74 -1.75 114.38 114.63 2wxl h ARG 548 Ca 0.29 -0.18 -0.06 0.00 -0.81 0.00 0.00 59.98 59.21 2wxl h ARG 548 Cb 0.13 0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.68 2wxl h ARG 548 CO -0.04 0.74 -0.09 1.25 -1.51 0.00 0.00 179.97 180.32 2wxl h LEU 549 N 0.28 0.51 -1.07 3.80 5.85 -1.17 -2.88 115.31 120.63 2wxl h LEU 549 Ca 0.02 -0.39 0.05 0.00 0.84 0.00 0.00 57.88 58.40 2wxl h LEU 549 Cb 0.92 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.75 2wxl h LEU 549 CO 0.08 0.79 0.62 -0.07 -0.34 0.00 0.00 178.44 179.52 2wxl h LEU 550 N 0.22 1.01 -0.84 2.25 3.38 -0.86 -1.11 115.31 119.37 2wxl h LEU 550 Ca 0.06 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wxl h LEU 550 Cb 0.58 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wxl h LEU 550 CO 0.03 0.67 0.00 -0.07 0.09 0.00 0.00 178.44 179.16 2wxl h LEU 551 N 1.16 0.00 0.00 1.67 3.38 -1.27 -2.83 115.31 117.42 2wxl h LEU 551 Ca 0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.37 2wxl h LEU 551 Cb 0.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.84 2wxl h LEU 551 CO -0.14 0.00 -0.96 1.33 0.09 0.00 0.00 178.44 178.76 2wxl n VAL 552 N -2.62 0.14 -2.24 1.22 0.24 -0.46 -4.95 118.33 109.66 2wxl n VAL 552 Ca 0.02 -0.20 -0.37 0.00 -2.04 0.00 0.00 64.34 61.75 2wxl n VAL 552 Cb 0.30 0.27 -0.01 0.00 -1.47 0.00 0.00 33.84 32.93 2wxl n VAL 552 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wxl s THR 553 N -3.16 3.06 -0.78 3.34 -4.23 -0.93 -4.93 115.64 108.01 2wxl s THR 553 Ca 0.05 0.80 -0.24 0.00 -1.18 0.00 0.00 61.69 61.12 2wxl s THR 553 Cb 0.15 -3.41 0.06 0.00 1.34 0.00 0.00 72.50 70.64 2wxl s THR 553 CO 0.79 -0.01 1.18 -0.54 -0.54 0.00 0.00 174.62 175.51 2wxl s LYS 554 N -2.69 3.28 0.00 3.99 -0.14 -1.26 -4.85 119.74 118.07 2wxl s LYS 554 Ca 0.64 -0.78 0.15 0.00 -1.36 0.00 0.00 55.97 54.62 2wxl s LYS 554 Cb -0.29 -4.49 0.72 0.00 -1.68 0.00 0.00 37.83 32.09 2wxl s LYS 554 CO 0.35 -2.00 1.47 0.91 -0.76 0.00 0.00 175.35 175.32 2wxl n TRP 555 N 8.38 0.00 -0.94 3.18 7.02 -1.26 -2.45 117.44 131.36 2wxl n TRP 555 Ca 0.08 0.00 0.04 0.00 -1.02 0.00 0.00 57.50 56.60 2wxl n TRP 555 Cb 0.48 -0.39 0.39 0.00 -2.42 0.00 0.00 31.31 29.37 2wxl n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxl n ASN 556 N -1.39 5.57 -3.69 -0.99 6.94 -1.26 -4.29 115.26 116.15 2wxl n ASN 556 Ca 0.06 -3.01 -0.20 0.00 -0.02 0.00 0.00 54.58 51.41 2wxl n ASN 556 Cb 0.15 -0.70 -0.18 0.00 -2.36 0.00 0.00 39.78 36.69 2wxl n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wxl s LYS 557 N -2.83 0.02 0.42 -3.83 1.02 -1.03 -4.88 119.74 108.62 2wxl s LYS 557 Ca 0.55 0.33 0.15 0.00 0.02 0.00 0.00 55.97 57.02 2wxl s LYS 557 Cb 0.43 -0.55 0.90 0.00 -0.52 0.00 0.00 37.83 38.09 2wxl s LYS 557 CO 0.15 -0.31 1.91 1.12 -0.92 0.00 0.00 175.35 177.30 2wxl h HIS 558 N 8.34 0.00 -0.46 3.18 2.07 -1.82 -2.16 115.15 124.30 2wxl h HIS 558 Ca -0.16 0.00 -0.08 0.00 -2.85 0.00 0.00 60.37 57.29 2wxl h HIS 558 Cb 1.12 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 31.08 2wxl h HIS 558 CO 0.48 0.28 -0.02 1.49 -3.07 0.00 0.00 177.93 177.10 2wxl h GLU 559 N 0.00 0.82 -0.38 5.12 4.81 -1.93 -0.46 114.58 122.56 2wxl h GLU 559 Ca -0.00 -0.27 -0.13 0.00 -0.13 0.00 0.00 59.36 58.83 2wxl h GLU 559 Cb 0.52 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 2wxl h GLU 559 CO 0.04 0.89 -0.29 -0.44 -0.73 0.00 0.00 179.01 178.47 2wxl h ASP 560 N 0.67 0.84 -0.18 1.04 5.19 -1.76 -1.34 116.42 120.87 2wxl h ASP 560 Ca 0.13 -0.33 -0.01 0.00 -0.62 0.00 0.00 57.03 56.19 2wxl h ASP 560 Cb 0.52 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.79 2wxl h ASP 560 CO 0.03 1.07 0.07 0.58 -3.12 0.00 0.00 179.24 177.86 2wxl h VAL 561 N 0.69 1.17 -0.67 -1.35 2.07 -1.31 -1.21 116.25 115.63 2wxl h VAL 561 Ca 0.08 -0.53 0.08 0.00 0.82 0.00 0.00 66.70 67.15 2wxl h VAL 561 Cb 0.83 1.18 -0.04 0.00 -1.52 0.00 0.00 31.29 31.74 2wxl h VAL 561 CO 0.07 0.17 0.44 0.00 0.02 0.00 0.00 177.57 178.27 2wxl h ALA 562 N 0.90 1.83 0.10 1.67 0.00 -0.97 0.11 119.26 122.90 2wxl h ALA 562 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2wxl h ALA 562 Cb 0.20 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wxl h ALA 562 CO -0.00 0.04 -0.05 0.37 0.00 0.00 0.00 179.25 179.61 2wxl h GLN 563 N 0.60 -0.13 0.24 0.00 5.75 -0.97 -1.33 115.11 119.27 2wxl h GLN 563 Ca 0.30 0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.79 2wxl h GLN 563 Cb 0.38 0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.96 2wxl h GLN 563 CO -0.10 -0.05 -0.11 1.98 -2.65 0.00 0.00 178.83 177.90 2wxl h MET 564 N -0.17 -0.30 -0.77 1.69 4.05 -0.26 -2.79 114.93 116.38 2wxl h MET 564 Ca -0.01 0.02 0.17 0.00 -0.28 0.00 0.00 59.70 59.60 2wxl h MET 564 Cb 0.13 0.07 -0.11 0.00 -0.80 0.00 0.00 31.60 30.89 2wxl h MET 564 CO 0.02 -0.06 0.23 -0.07 0.23 0.00 0.00 176.91 177.26 2wxl h LEU 565 N -0.51 0.10 -0.44 3.39 4.07 -0.87 0.65 115.31 121.70 2wxl h LEU 565 Ca -0.03 0.14 0.07 0.00 0.08 0.00 0.00 57.88 58.14 2wxl h LEU 565 Cb 0.38 0.17 -0.06 0.00 1.08 0.00 0.00 40.66 42.23 2wxl h LEU 565 CO 0.05 -0.01 0.10 0.22 -1.08 0.00 0.00 178.44 177.72 2wxl h TYR 566 N 0.32 0.16 0.02 1.13 3.20 -1.00 -1.20 116.97 119.59 2wxl h TYR 566 Ca 0.44 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 62.34 2wxl h TYR 566 Cb 0.76 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.02 2wxl h TYR 566 CO -0.23 0.02 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.23 2wxl h LEU 567 N 0.24 -0.02 -0.95 2.82 3.38 -1.09 -3.21 115.31 116.48 2wxl h LEU 567 Ca 0.22 -0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.33 2wxl h LEU 567 Cb 0.26 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.91 2wxl h LEU 567 CO -0.27 0.02 0.54 0.25 0.09 0.00 0.00 178.44 179.07 2wxl h LEU 568 N -0.06 0.67 -0.79 1.67 5.85 -0.14 -1.72 115.31 120.79 2wxl h LEU 568 Ca -0.00 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.82 2wxl h LEU 568 Cb 0.05 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.07 2wxl h LEU 568 CO 0.00 0.23 0.00 0.00 -0.34 0.00 0.00 178.44 178.33 2wxl n SER 570 N -2.36 2.98 -4.72 0.00 3.41 -0.67 -5.04 113.62 107.22 2wxl n SER 570 Ca 0.02 -2.62 -0.42 0.00 -0.26 0.00 0.00 58.87 55.60 2wxl n SER 570 Cb 0.25 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 63.81 2wxl n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxl s TRP 571 N -2.09 3.43 0.68 7.33 -0.11 -0.63 -4.99 118.94 122.56 2wxl s TRP 571 Ca 0.28 1.32 -0.16 0.00 1.22 0.00 0.00 56.10 58.76 2wxl s TRP 571 Cb 0.22 -3.44 0.01 0.00 -1.50 0.00 0.00 33.47 28.76 2wxl s TRP 571 CO 0.08 -1.31 1.20 -1.25 -4.62 0.00 0.00 176.95 171.05 2wxl s PRO 572 N 0.60 2.48 0.52 5.86 0.04 -1.26 -4.95 135.00 138.28 2wxl s PRO 572 Ca 0.57 1.76 -0.21 0.00 0.04 0.00 0.00 61.00 63.16 2wxl s PRO 572 Cb -0.31 -1.87 -0.07 0.00 0.04 0.00 0.00 34.50 32.28 2wxl s PRO 572 CO 0.32 -1.58 1.06 0.39 0.04 0.00 0.00 177.00 177.23 2wxl n GLU 573 N -2.31 1.26 -4.22 4.56 1.02 -1.26 -5.03 120.64 114.67 2wxl n GLU 573 Ca 0.13 0.47 -0.23 0.00 -0.02 0.00 0.00 57.16 57.51 2wxl n GLU 573 Cb 0.50 -2.20 -0.06 0.00 -0.02 0.00 0.00 31.44 29.66 2wxl n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxl s LEU 574 N -1.64 3.32 0.81 -4.62 1.43 -1.26 -5.04 118.68 111.68 2wxl s LEU 574 Ca 0.69 -0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.07 2wxl s LEU 574 Cb -0.47 -1.83 0.09 0.00 0.03 0.00 0.00 46.19 44.00 2wxl s LEU 574 CO 0.52 -0.07 1.16 -2.84 0.23 0.00 0.00 176.35 175.34 2wxl s PRO 575 N -3.74 1.71 0.24 1.29 0.02 -1.26 -4.72 135.00 128.53 2wxl s PRO 575 Ca 0.33 1.54 -0.08 0.00 0.02 0.00 0.00 61.00 62.81 2wxl s PRO 575 Cb -0.06 -1.81 0.40 0.00 0.02 0.00 0.00 34.50 33.06 2wxl s PRO 575 CO 0.21 -2.11 1.64 0.28 -0.33 0.00 0.00 177.00 176.69 2wxl h VAL 576 N -1.11 0.36 -0.43 3.83 2.07 -1.99 -0.65 116.25 118.33 2wxl h VAL 576 Ca -0.45 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.11 2wxl h VAL 576 Cb 1.27 0.25 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2wxl h VAL 576 CO 0.47 0.02 0.04 0.25 0.02 0.00 0.00 177.57 178.36 2wxl h LEU 577 N 0.10 -0.10 -0.62 2.57 5.85 -1.97 -0.37 115.31 120.77 2wxl h LEU 577 Ca 0.39 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 59.18 2wxl h LEU 577 Cb 0.68 0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2wxl h LEU 577 CO -0.65 -0.01 0.31 0.28 -0.34 0.00 0.00 178.44 178.02 2wxl h SER 578 N 0.15 0.80 -0.07 1.25 0.02 -1.64 -2.88 113.55 111.19 2wxl h SER 578 Ca 0.21 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 61.02 2wxl h SER 578 Cb 0.29 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.61 2wxl h SER 578 CO -0.32 0.70 0.00 0.00 -1.14 0.00 0.00 176.83 176.07 2wxl h ALA 579 N 1.13 1.74 -0.27 3.77 0.00 -0.01 -2.50 119.26 123.12 2wxl h ALA 579 Ca 0.21 -0.09 -0.13 0.00 0.00 0.00 0.00 54.91 54.90 2wxl h ALA 579 Cb 0.10 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2wxl h ALA 579 CO -0.03 0.20 -0.37 -0.07 0.00 0.00 0.00 179.25 178.99 2wxl h LEU 580 N 0.20 0.65 -0.87 0.00 3.38 -0.89 -2.78 115.31 115.00 2wxl h LEU 580 Ca 0.05 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.75 2wxl h LEU 580 Cb 0.14 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2wxl h LEU 580 CO 0.00 0.95 0.56 -0.08 0.09 0.00 0.00 178.44 179.96 2wxl h GLU 581 N 0.52 1.16 0.00 1.13 4.81 -1.36 -2.86 114.58 117.98 2wxl h GLU 581 Ca 0.05 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2wxl h GLU 581 Cb 0.87 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 30.00 2wxl h GLU 581 CO 0.07 0.79 0.00 1.28 -0.73 0.00 0.00 179.01 180.43 2wxl n LEU 582 N -4.45 0.22 -0.05 1.64 4.77 -1.06 -1.61 117.00 116.47 2wxl n LEU 582 Ca 0.09 0.56 0.14 0.00 -0.03 0.00 0.00 56.01 56.76 2wxl n LEU 582 Cb 0.03 -0.53 0.52 0.00 -2.33 0.00 0.00 43.42 41.12 2wxl n LEU 582 CO 0.37 -0.36 0.79 0.18 -1.33 0.00 0.00 177.39 177.04 2wxl n LEU 583 N -1.75 0.32 -4.72 2.23 4.77 -1.08 -4.66 117.00 112.11 2wxl n LEU 583 Ca 0.03 0.17 -0.34 0.00 -0.03 0.00 0.00 56.01 55.84 2wxl n LEU 583 Cb 0.19 -0.31 0.10 0.00 -2.33 0.00 0.00 43.42 41.07 2wxl n LEU 583 CO 0.15 0.07 0.79 -0.62 -1.33 0.00 0.00 177.39 176.46 2wxl s ASP 584 N -2.79 4.15 0.64 -1.43 2.15 -0.63 -4.89 116.67 113.87 2wxl s ASP 584 Ca 0.19 2.35 0.40 0.00 0.43 0.00 0.00 52.55 55.92 2wxl s ASP 584 Cb 0.19 -2.59 2.23 0.00 -0.30 0.00 0.00 42.92 42.46 2wxl s ASP 584 CO 0.55 -2.29 2.33 0.15 -0.17 0.00 0.00 175.17 175.74 2wxl h PHE 585 N -0.36 0.00 0.00 -5.34 3.57 -1.90 -0.74 116.94 112.16 2wxl h PHE 585 Ca -0.47 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.03 2wxl h PHE 585 Cb 1.29 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.03 2wxl h PHE 585 CO 0.47 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.98 2wxl n SER 586 N -3.30 0.10 -3.31 0.41 7.64 -1.26 -3.57 113.62 110.34 2wxl n SER 586 Ca -0.03 0.55 -0.26 0.00 1.01 0.00 0.00 58.87 60.14 2wxl n SER 586 Cb 0.08 -0.56 -0.07 0.00 -1.01 0.00 0.00 64.21 62.65 2wxl n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxl n PHE 587 N -1.64 2.87 0.24 1.43 3.72 -0.28 -4.88 117.46 118.91 2wxl n PHE 587 Ca -0.00 -4.02 0.13 0.00 -0.05 0.00 0.00 57.45 53.51 2wxl n PHE 587 Cb 0.02 -0.51 0.48 0.00 -0.94 0.00 0.00 39.48 38.53 2wxl n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxl h PRO 588 N 3.95 0.00 -6.97 -1.08 0.14 -1.78 -3.41 132.00 122.85 2wxl h PRO 588 Ca 0.16 0.00 -0.53 0.00 0.14 0.00 0.00 66.00 65.78 2wxl h PRO 588 Cb 0.69 0.00 0.09 0.00 0.14 0.00 0.00 31.00 31.92 2wxl h PRO 588 CO 0.76 0.13 0.59 0.34 0.14 0.00 0.00 178.00 179.96 2wxl s ASP 589 N -6.03 6.12 0.25 1.44 2.15 -1.26 -4.86 116.67 114.49 2wxl s ASP 589 Ca 0.02 2.62 0.02 0.00 0.43 0.00 0.00 52.55 55.64 2wxl s ASP 589 Cb 0.09 -2.63 0.30 0.00 -0.30 0.00 0.00 42.92 40.38 2wxl s ASP 589 CO 0.61 -0.97 1.62 0.00 -0.17 0.00 0.00 175.17 176.26 2wxl h TYR 591 N 0.32 1.16 -0.26 0.00 0.05 -1.98 0.16 116.97 116.42 2wxl h TYR 591 Ca 0.02 -0.22 -0.01 0.00 0.05 0.00 0.00 58.73 58.57 2wxl h TYR 591 Cb 0.91 -0.30 -0.01 0.00 1.01 0.00 0.00 36.73 38.35 2wxl h TYR 591 CO 0.03 1.05 0.11 0.28 -1.05 0.00 0.00 178.16 178.57 2wxl h VAL 592 N 0.95 1.17 -0.43 -2.88 2.07 -1.88 -1.12 116.25 114.12 2wxl h VAL 592 Ca 0.16 -0.51 0.07 0.00 0.82 0.00 0.00 66.70 67.24 2wxl h VAL 592 Cb 0.62 1.01 -0.06 0.00 -1.52 0.00 0.00 31.29 31.34 2wxl h VAL 592 CO 0.04 0.17 0.09 1.23 0.02 0.00 0.00 177.57 179.12 2wxl h GLY 593 N 0.28 0.52 0.95 2.17 0.00 -0.78 -0.23 103.07 105.97 2wxl h GLY 593 Ca 0.09 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.38 2wxl h GLY 593 CO -0.01 -0.04 0.19 0.23 0.00 0.00 0.00 176.54 176.91 2wxl h SER 594 N 0.23 0.52 -0.54 0.19 0.87 -0.58 -1.86 113.55 112.37 2wxl h SER 594 Ca 0.21 -0.13 0.07 0.00 -1.23 0.00 0.00 61.79 60.71 2wxl h SER 594 Cb 0.26 -0.13 -0.06 0.00 -0.44 0.00 0.00 62.40 62.02 2wxl h SER 594 CO -0.27 0.50 0.23 0.15 -0.53 0.00 0.00 176.83 176.91 2wxl h PHE 595 N 0.50 0.40 -0.33 2.24 3.57 -0.78 -0.65 116.94 121.89 2wxl h PHE 595 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 2wxl h PHE 595 Cb 0.12 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.74 2wxl h PHE 595 CO -0.01 0.15 0.22 0.00 -2.23 0.00 0.00 178.31 176.43 2wxl h ALA 596 N 1.34 0.42 -0.38 2.41 0.00 -0.58 0.24 119.26 122.72 2wxl h ALA 596 Ca 0.26 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.15 2wxl h ALA 596 Cb 0.26 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.90 2wxl h ALA 596 CO -0.24 -0.12 0.25 0.82 0.00 0.00 0.00 179.25 179.96 2wxl h ILE 597 N 0.45 1.10 -0.78 0.00 1.08 -1.17 -1.81 117.51 116.38 2wxl h ILE 597 Ca 0.12 -0.19 0.13 0.00 -0.39 0.00 0.00 64.86 64.52 2wxl h ILE 597 Cb -0.05 0.55 -0.09 0.00 -3.07 0.00 0.00 36.82 34.17 2wxl h ILE 597 CO -0.03 0.10 0.37 0.50 -0.69 0.00 0.00 178.15 178.40 2wxl h LYS 598 N 0.51 0.56 0.00 2.37 3.64 -0.47 0.24 116.57 123.42 2wxl h LYS 598 Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2wxl h LYS 598 Cb -0.05 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.64 2wxl h LYS 598 CO -0.03 0.37 -0.15 0.77 -2.27 0.00 0.00 179.45 178.13 2wxl h SER 599 N 0.57 0.00 0.23 4.20 0.02 -0.63 -3.12 113.55 114.83 2wxl h SER 599 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2wxl h SER 599 Cb 0.54 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.08 2wxl h SER 599 CO -0.34 0.15 -0.20 0.18 -1.14 0.00 0.00 176.83 175.49 2wxl n LEU 600 N -3.37 0.98 0.25 5.07 4.77 0.01 -4.08 117.00 120.64 2wxl n LEU 600 Ca -0.00 -0.24 0.09 0.00 -0.03 0.00 0.00 56.01 55.83 2wxl n LEU 600 Cb 0.36 -0.12 0.66 0.00 -2.33 0.00 0.00 43.42 41.99 2wxl n LEU 600 CO 0.31 0.18 1.01 0.03 -1.33 0.00 0.00 177.39 177.59 2wxl h ARG 601 N 1.22 0.00 0.00 3.23 3.08 -1.32 -1.35 114.38 119.25 2wxl h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxl h ARG 601 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 2wxl h ARG 601 CO 0.00 0.08 0.00 0.36 -1.07 0.00 0.00 179.97 179.34 2wxl n LYS 602 N -4.22 0.33 -1.57 0.04 2.85 -1.26 -4.84 118.16 109.49 2wxl n LYS 602 Ca -0.03 0.06 -0.51 0.00 -1.05 0.00 0.00 58.31 56.78 2wxl n LYS 602 Cb 0.16 -1.50 -0.05 0.00 -0.65 0.00 0.00 35.03 32.99 2wxl n LYS 602 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wxl n LEU 603 N -1.30 1.43 -4.78 -5.58 4.77 -0.51 -4.95 117.00 106.08 2wxl n LEU 603 Ca 0.11 1.13 -0.31 0.00 -0.03 0.00 0.00 56.01 56.91 2wxl n LEU 603 Cb 0.20 -1.18 0.08 0.00 -2.33 0.00 0.00 43.42 40.19 2wxl n LEU 603 CO 0.19 -1.27 0.70 0.42 -1.33 0.00 0.00 177.39 176.11 2wxl s THR 604 N 0.08 3.46 0.34 -5.08 -4.23 -1.26 -4.85 115.64 104.10 2wxl s THR 604 Ca 0.79 0.49 0.06 0.00 -1.18 0.00 0.00 61.69 61.85 2wxl s THR 604 Cb -0.92 -3.03 0.31 0.00 1.34 0.00 0.00 72.50 70.20 2wxl s THR 604 CO 0.50 -0.60 1.89 0.44 -0.54 0.00 0.00 174.62 176.31 2wxl h ASP 605 N -0.94 0.72 -0.34 3.99 3.32 -1.98 -0.37 116.42 120.81 2wxl h ASP 605 Ca -0.44 0.03 -0.05 0.00 0.02 0.00 0.00 57.03 56.59 2wxl h ASP 605 Cb 1.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.65 2wxl h ASP 605 CO 0.53 0.41 0.02 0.44 -1.72 0.00 0.00 179.24 178.91 2wxl h ASP 606 N 0.79 0.58 -0.34 6.45 3.32 -1.98 -0.10 116.42 125.13 2wxl h ASP 606 Ca 0.41 -0.29 -0.00 0.00 0.02 0.00 0.00 57.03 57.17 2wxl h ASP 606 Cb 0.52 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.90 2wxl h ASP 606 CO -0.18 0.73 0.21 -0.33 -1.72 0.00 0.00 179.24 177.95 2wxl h GLU 607 N 0.41 0.46 -0.34 3.56 5.08 -1.86 -1.32 114.58 120.56 2wxl h GLU 607 Ca 0.10 -0.04 0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2wxl h GLU 607 Cb 0.42 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 2wxl h GLU 607 CO 0.01 0.35 0.13 1.25 -1.00 0.00 0.00 179.01 179.75 2wxl h LEU 608 N 0.44 0.15 -0.40 1.33 5.85 -0.89 -0.71 115.31 121.09 2wxl h LEU 608 Ca 0.12 0.03 0.05 0.00 0.84 0.00 0.00 57.88 58.93 2wxl h LEU 608 Cb 0.01 0.01 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 2wxl h LEU 608 CO -0.02 0.12 0.12 0.15 -0.34 0.00 0.00 178.44 178.47 2wxl h PHE 609 N 0.28 0.21 -0.96 1.25 3.57 -0.92 0.21 116.94 120.58 2wxl h PHE 609 Ca 0.15 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.75 2wxl h PHE 609 Cb 0.12 -0.03 -0.07 0.00 2.79 0.00 0.00 35.95 38.75 2wxl h PHE 609 CO -0.13 0.07 0.62 0.37 -2.23 0.00 0.00 178.31 177.00 2wxl h GLN 610 N 0.27 1.03 -0.72 1.11 5.75 -0.28 -2.50 115.11 119.78 2wxl h GLN 610 Ca 0.19 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.62 2wxl h GLN 610 Cb 0.19 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 28.50 2wxl h GLN 610 CO -0.21 0.68 0.00 0.66 -2.65 0.00 0.00 178.83 177.31 2wxl n TYR 611 N -4.52 1.05 -0.22 3.99 4.01 -0.36 -4.62 117.16 116.49 2wxl n TYR 611 Ca 0.15 -0.50 -0.07 0.00 -0.16 0.00 0.00 57.90 57.33 2wxl n TYR 611 Cb 0.23 -0.04 0.03 0.00 -0.31 0.00 0.00 39.34 39.26 2wxl n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxl h LEU 612 N 4.20 0.75 -0.65 7.72 5.85 -0.12 -2.09 115.31 130.98 2wxl h LEU 612 Ca 0.00 -0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.73 2wxl h LEU 612 Cb 1.04 -0.19 -0.07 0.00 0.37 0.00 0.00 40.66 41.81 2wxl h LEU 612 CO 0.04 0.63 0.27 0.25 -0.34 0.00 0.00 178.44 179.28 2wxl h LEU 613 N 0.82 0.29 -0.22 2.25 5.85 -1.82 -1.00 115.31 121.49 2wxl h LEU 613 Ca 0.21 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 58.83 2wxl h LEU 613 Cb 0.03 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.11 2wxl h LEU 613 CO -0.04 0.16 -0.58 1.56 -0.34 0.00 0.00 178.44 179.21 2wxl h GLN 614 N 0.46 0.77 -0.75 1.25 7.50 -1.79 -2.24 115.11 120.32 2wxl h GLN 614 Ca 0.33 -0.54 0.04 0.00 0.50 0.00 0.00 58.65 58.97 2wxl h GLN 614 Cb 0.40 0.08 -0.05 0.00 0.05 0.00 0.00 27.48 27.96 2wxl h GLN 614 CO -0.30 1.17 0.47 -0.07 -1.50 0.00 0.00 178.83 178.59 2wxl h LEU 615 N 0.51 0.76 -0.45 1.46 3.38 -0.93 -0.35 115.31 119.70 2wxl h LEU 615 Ca -0.01 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wxl h LEU 615 Cb 1.19 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 2wxl h LEU 615 CO 0.12 0.52 0.27 0.58 0.09 0.00 0.00 178.44 180.02 2wxl h VAL 616 N 0.90 1.15 -0.67 1.22 2.07 -1.11 -2.95 116.25 116.87 2wxl h VAL 616 Ca 0.30 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.47 2wxl h VAL 616 Cb 0.04 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.34 2wxl h VAL 616 CO -0.12 0.15 0.41 1.56 0.02 0.00 0.00 177.57 179.59 2wxl h GLN 617 N 0.60 0.90 0.00 1.57 1.08 -0.77 -1.45 115.11 117.03 2wxl h GLN 617 Ca 0.16 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2wxl h GLN 617 Cb 0.01 -0.19 -0.00 0.00 -0.05 0.00 0.00 27.48 27.25 2wxl h GLN 617 CO -0.03 0.62 -0.02 0.28 -0.95 0.00 0.00 178.83 178.73 2wxl h VAL 618 N 0.92 0.42 -0.68 -0.54 2.07 -0.91 -1.33 116.25 116.20 2wxl h VAL 618 Ca 0.24 -0.11 0.16 0.00 0.82 0.00 0.00 66.70 67.82 2wxl h VAL 618 Cb -0.05 1.07 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 2wxl h VAL 618 CO -0.05 0.02 0.47 -0.07 0.02 0.00 0.00 177.57 177.96 2wxl h LEU 619 N 0.00 0.19 -1.13 2.57 3.38 -1.20 0.10 115.31 119.21 2wxl h LEU 619 Ca -0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2wxl h LEU 619 Cb 0.07 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.80 2wxl h LEU 619 CO 0.00 0.09 0.00 0.11 0.09 0.00 0.00 178.44 178.74 2wxl h LYS 620 N 0.20 0.00 0.00 1.13 1.57 -1.38 -1.49 116.57 116.60 2wxl h LYS 620 Ca 0.33 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.11 2wxl h LYS 620 Cb 1.02 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.33 2wxl h LYS 620 CO -0.06 0.00 -0.46 0.66 -0.57 0.00 0.00 179.45 179.02 2wxl n TYR 621 N -2.38 0.03 -2.24 -1.35 4.01 0.35 -4.72 117.16 110.87 2wxl n TYR 621 Ca 0.01 0.01 -0.38 0.00 -0.16 0.00 0.00 57.90 57.37 2wxl n TYR 621 Cb 0.17 -0.30 -0.02 0.00 -0.31 0.00 0.00 39.34 38.88 2wxl n TYR 621 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wxl s GLU 622 N -3.01 4.01 -0.03 -0.72 0.41 -0.56 -4.95 118.70 113.84 2wxl s GLU 622 Ca 0.11 1.90 0.02 0.00 -0.41 0.00 0.00 54.97 56.59 2wxl s GLU 622 Cb 0.17 -2.67 -0.25 0.00 -1.78 0.00 0.00 34.13 29.60 2wxl s GLU 622 CO 0.68 -0.37 0.72 0.77 -0.49 0.00 0.00 175.26 176.57 2wxl h SER 623 N 2.60 0.23 -2.82 -0.19 0.02 -1.93 -3.46 113.55 108.00 2wxl h SER 623 Ca -0.49 -0.40 -0.51 0.00 -0.84 0.00 0.00 61.79 59.55 2wxl h SER 623 Cb 1.24 -0.08 -0.14 0.00 0.14 0.00 0.00 62.40 63.56 2wxl h SER 623 CO 0.62 1.35 -0.70 -0.31 -1.14 0.00 0.00 176.83 176.66 2wxl s TYR 624 N -2.60 1.98 0.00 3.45 2.02 -1.26 -4.91 117.35 116.02 2wxl s TYR 624 Ca -0.10 -0.62 -0.25 0.00 -0.37 0.00 0.00 57.07 55.74 2wxl s TYR 624 Cb 0.07 -1.06 -0.18 0.00 -0.40 0.00 0.00 41.96 40.39 2wxl s TYR 624 CO 0.82 0.37 1.31 -0.07 -1.57 0.00 0.00 175.55 176.41 2wxl h LEU 625 N 2.31 -0.13 -8.67 -1.29 3.38 -1.93 -3.41 115.31 105.58 2wxl h LEU 625 Ca -0.40 -0.31 -0.60 0.00 0.09 0.00 0.00 57.88 56.67 2wxl h LEU 625 Cb 1.23 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.92 2wxl h LEU 625 CO 0.66 0.25 0.62 -0.62 0.09 0.00 0.00 178.44 179.44 2wxl s ASP 626 N -5.40 6.52 0.11 -0.43 2.15 -1.26 -4.92 116.67 113.43 2wxl s ASP 626 Ca -0.15 0.17 -0.07 0.00 0.43 0.00 0.00 52.55 52.93 2wxl s ASP 626 Cb 0.02 -2.46 -0.01 0.00 -0.30 0.00 0.00 42.92 40.17 2wxl s ASP 626 CO 0.62 -1.07 0.17 0.00 -0.17 0.00 0.00 175.17 174.71 2wxl h GLU 628 N 2.77 1.03 -0.24 0.00 4.39 -1.96 -2.35 114.58 118.22 2wxl h GLU 628 Ca -0.34 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.11 2wxl h GLU 628 Cb 1.20 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.71 2wxl h GLU 628 CO 0.56 0.94 0.16 1.25 -1.16 0.00 0.00 179.01 180.76 2wxl h LEU 629 N 0.97 0.27 -0.38 1.33 5.85 -1.97 0.82 115.31 122.19 2wxl h LEU 629 Ca 0.20 -0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.91 2wxl h LEU 629 Cb 0.41 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.36 2wxl h LEU 629 CO 0.01 0.20 0.23 0.74 -0.34 0.00 0.00 178.44 179.28 2wxl h THR 630 N 0.32 1.12 -0.64 1.05 2.02 -1.88 0.25 112.91 115.15 2wxl h THR 630 Ca 0.09 -0.26 -0.05 0.00 0.77 0.00 0.00 66.41 66.96 2wxl h THR 630 Cb -0.03 0.61 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 2wxl h THR 630 CO -0.02 0.12 0.21 0.50 0.37 0.00 0.00 175.52 176.70 2wxl h LYS 631 N 0.50 0.99 -0.29 6.66 3.64 -1.32 -0.75 116.57 126.00 2wxl h LYS 631 Ca 0.14 -0.21 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2wxl h LYS 631 Cb -0.01 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 31.64 2wxl h LYS 631 CO -0.03 0.86 0.17 0.35 -2.27 0.00 0.00 179.45 178.54 2wxl h PHE 632 N 0.92 0.33 -0.51 1.91 3.57 -0.34 -1.42 116.94 121.40 2wxl h PHE 632 Ca 0.21 0.01 -0.11 0.00 3.53 0.00 0.00 57.97 61.61 2wxl h PHE 632 Cb 0.28 -0.11 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2wxl h PHE 632 CO 0.02 0.20 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.11 2wxl h LEU 633 N 0.36 0.95 -0.02 0.59 3.38 -0.27 -2.20 115.31 118.09 2wxl h LEU 633 Ca 0.11 -0.30 -0.01 0.00 0.09 0.00 0.00 57.88 57.77 2wxl h LEU 633 Cb -0.01 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.49 2wxl h LEU 633 CO -0.05 1.06 -0.01 0.25 0.09 0.00 0.00 178.44 179.79 2wxl h LEU 634 N 0.85 0.05 -0.51 1.67 5.85 -1.03 -0.93 115.31 121.25 2wxl h LEU 634 Ca 0.13 -0.39 0.07 0.00 0.84 0.00 0.00 57.88 58.53 2wxl h LEU 634 Cb 0.65 -0.01 -0.06 0.00 0.37 0.00 0.00 40.66 41.61 2wxl h LEU 634 CO 0.05 0.42 0.20 1.23 -0.34 0.00 0.00 178.44 180.00 2wxl h GLY 635 N -0.33 0.70 1.02 3.75 0.00 -1.27 0.03 103.07 106.97 2wxl h GLY 635 Ca 0.01 -0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.21 2wxl h GLY 635 CO 0.00 0.03 0.54 3.21 0.00 0.00 0.00 176.54 180.32 2wxl h ARG 636 N 0.39 1.26 -0.61 4.80 2.47 -1.35 -1.68 114.38 119.66 2wxl h ARG 636 Ca 0.24 -0.13 -0.06 0.00 -1.26 0.00 0.00 59.98 58.78 2wxl h ARG 636 Cb 0.24 -0.26 -0.03 0.00 -1.65 0.00 0.00 29.97 28.28 2wxl h ARG 636 CO -0.23 0.90 0.16 0.00 0.56 0.00 0.00 179.97 181.35 2wxl h ALA 637 N 1.29 1.13 0.00 0.04 0.00 -0.74 -1.82 119.26 119.16 2wxl h ALA 637 Ca 0.33 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2wxl h ALA 637 Cb -0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.52 2wxl h ALA 637 CO -0.06 0.59 0.00 -0.07 0.00 0.00 0.00 179.25 179.71 2wxl h LEU 638 N 0.91 0.00 -0.75 0.00 3.38 -0.67 -3.06 115.31 115.11 2wxl h LEU 638 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 2wxl h LEU 638 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2wxl h LEU 638 CO -0.00 0.00 -0.43 0.00 0.09 0.00 0.00 178.44 178.10 2wxl n ALA 639 N -2.07 3.45 -3.56 1.53 0.00 -0.66 -4.81 120.51 114.40 2wxl n ALA 639 Ca 0.03 -0.55 -0.15 0.00 0.00 0.00 0.00 53.44 52.77 2wxl n ALA 639 Cb 0.47 -0.92 -0.13 0.00 0.00 0.00 0.00 19.45 18.87 2wxl n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxl s ASN 640 N -2.52 0.81 0.48 0.00 3.84 -0.73 -4.55 114.94 112.26 2wxl s ASN 640 Ca 0.20 0.19 0.23 0.00 0.21 0.00 0.00 52.86 53.69 2wxl s ASN 640 Cb 0.18 0.58 1.21 0.00 -0.55 0.00 0.00 41.25 42.68 2wxl s ASN 640 CO 0.57 -0.28 1.99 -0.09 -2.79 0.00 0.00 177.10 176.50 2wxl h ARG 641 N 8.29 0.00 -0.11 0.43 2.43 -1.18 -0.70 114.38 123.55 2wxl h ARG 641 Ca -0.16 0.00 -0.13 0.00 -0.81 0.00 0.00 59.98 58.88 2wxl h ARG 641 Cb 1.13 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.69 2wxl h ARG 641 CO 0.21 0.18 -0.43 -0.22 -1.51 0.00 0.00 179.97 178.20 2wxl h LYS 642 N 0.00 0.49 -0.75 0.20 3.64 -1.85 0.17 116.57 118.48 2wxl h LYS 642 Ca -0.00 -0.38 0.11 0.00 -1.27 0.00 0.00 60.65 59.11 2wxl h LYS 642 Cb 0.43 0.07 -0.08 0.00 -0.41 0.00 0.00 32.23 32.25 2wxl h LYS 642 CO 0.02 1.00 0.37 0.82 -2.27 0.00 0.00 179.45 179.40 2wxl h ILE 643 N 0.08 0.81 -0.44 2.00 1.08 -1.67 -2.35 117.51 117.02 2wxl h ILE 643 Ca -0.02 -0.21 -0.04 0.00 -0.39 0.00 0.00 64.86 64.20 2wxl h ILE 643 Cb 1.07 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 34.95 2wxl h ILE 643 CO 0.09 0.11 0.11 1.23 -0.69 0.00 0.00 178.15 179.00 2wxl h GLY 644 N 0.60 0.76 0.76 5.37 0.00 -0.82 0.56 103.07 110.30 2wxl h GLY 644 Ca 0.38 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2wxl h GLY 644 CO -0.30 0.44 -0.17 0.84 0.00 0.00 0.00 176.54 177.35 2wxl h HIS 645 N 0.58 -0.44 0.01 5.60 -0.00 -0.32 -1.44 115.15 119.14 2wxl h HIS 645 Ca 0.14 0.00 -0.19 0.00 -0.00 0.00 0.00 60.37 60.33 2wxl h HIS 645 Cb 0.31 0.18 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 2wxl h HIS 645 CO 0.02 -0.25 -0.87 0.74 -0.00 0.00 0.00 177.93 177.56 2wxl h PHE 646 N -0.35 0.17 -0.39 5.26 0.04 -1.22 -2.52 116.94 117.92 2wxl h PHE 646 Ca 0.01 -0.10 0.05 0.00 2.80 0.00 0.00 57.97 60.74 2wxl h PHE 646 Cb 0.35 -0.02 -0.05 0.00 2.20 0.00 0.00 35.95 38.43 2wxl h PHE 646 CO -0.15 0.92 0.10 1.25 -0.60 0.00 0.00 178.31 179.83 2wxl h LEU 647 N 0.06 0.07 -0.03 1.54 5.85 -0.87 -0.78 115.31 121.16 2wxl h LEU 647 Ca -0.03 0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2wxl h LEU 647 Cb 1.51 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 42.55 2wxl h LEU 647 CO 0.12 0.08 -0.22 0.15 -0.34 0.00 0.00 178.44 178.23 2wxl h PHE 648 N 0.24 -0.59 -0.43 1.25 3.57 -1.08 -2.12 116.94 117.79 2wxl h PHE 648 Ca 0.18 0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.60 2wxl h PHE 648 Cb 0.19 0.27 -0.01 0.00 2.79 0.00 0.00 35.95 39.19 2wxl h PHE 648 CO -0.17 -0.31 -0.13 -1.49 -2.23 0.00 0.00 178.31 173.98 2wxl h TRP 649 N -0.34 0.95 -0.86 0.41 4.06 -1.24 0.13 115.95 119.06 2wxl h TRP 649 Ca 0.07 -0.21 0.14 0.00 2.06 0.00 0.00 58.89 60.95 2wxl h TRP 649 Cb 0.43 -0.23 -0.09 0.00 -1.00 0.00 0.00 29.16 28.27 2wxl h TRP 649 CO -0.28 0.96 0.46 0.45 -3.56 0.00 0.00 178.44 176.47 2wxl h HIS 650 N 0.66 0.81 -0.05 0.49 3.86 -1.10 -1.21 115.15 118.62 2wxl h HIS 650 Ca 0.11 0.03 -0.25 0.00 -1.16 0.00 0.00 60.37 59.10 2wxl h HIS 650 Cb 0.67 -0.23 0.02 0.00 1.06 0.00 0.00 27.41 28.93 2wxl h HIS 650 CO 0.05 0.21 -0.96 -0.07 0.86 0.00 0.00 177.93 178.02 2wxl h LEU 651 N 0.66 0.91 -0.60 2.43 3.38 -0.99 -3.32 115.31 117.78 2wxl h LEU 651 Ca 0.47 -0.69 -0.12 0.00 0.09 0.00 0.00 57.88 57.63 2wxl h LEU 651 Cb 0.64 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.10 2wxl h LEU 651 CO -0.35 1.49 -0.20 -0.09 0.09 0.00 0.00 178.44 179.38 2wxl h ARG 652 N 0.43 0.90 0.00 1.13 9.65 -0.52 -2.78 114.38 123.20 2wxl h ARG 652 Ca -0.11 -0.36 0.00 0.00 -1.10 0.00 0.00 59.98 58.41 2wxl h ARG 652 Cb 1.61 -0.04 0.00 0.00 -1.39 0.00 0.00 29.97 30.15 2wxl h ARG 652 CO 0.19 1.01 0.00 -1.13 2.80 0.00 0.00 179.97 182.85 2wxl n SER 653 N -4.12 0.00 -0.20 -3.80 3.41 -0.48 -2.14 113.62 106.29 2wxl n SER 653 Ca 0.00 0.38 0.07 0.00 -0.26 0.00 0.00 58.87 59.05 2wxl n SER 653 Cb 0.44 -0.41 0.12 0.00 -0.26 0.00 0.00 64.21 64.09 2wxl n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxl n GLU 654 N -1.41 2.13 0.08 4.33 1.02 -1.05 -4.21 120.64 121.53 2wxl n GLU 654 Ca 0.02 -2.26 0.09 0.00 -0.02 0.00 0.00 57.16 54.99 2wxl n GLU 654 Cb 0.07 -1.38 0.39 0.00 -0.02 0.00 0.00 31.44 30.50 2wxl n GLU 654 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wxl n MET 655 N -0.89 0.10 -0.04 3.49 2.81 -0.91 -1.65 117.12 120.04 2wxl n MET 655 Ca 0.12 0.42 0.12 0.00 -1.81 0.00 0.00 57.70 56.55 2wxl n MET 655 Cb 0.54 -1.73 0.43 0.00 -0.71 0.00 0.00 33.22 31.75 2wxl n MET 655 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2wxl n HIS 656 N -1.93 0.11 -3.40 2.03 1.44 -1.26 -4.69 115.22 107.52 2wxl n HIS 656 Ca 0.02 -0.06 -0.44 0.00 -2.01 0.00 0.00 57.72 55.23 2wxl n HIS 656 Cb 0.15 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.19 2wxl n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxl s VAL 657 N -1.89 5.00 0.46 0.61 1.01 -0.66 -4.97 120.40 119.96 2wxl s VAL 657 Ca 0.35 -1.35 0.26 0.00 0.00 0.00 0.00 61.98 61.24 2wxl s VAL 657 Cb 0.20 -4.11 0.46 0.00 0.00 0.00 0.00 36.38 32.92 2wxl s VAL 657 CO 0.30 -0.71 1.79 -0.65 0.00 0.00 0.00 175.10 175.83 2wxl h PRO 658 N 8.74 0.21 0.00 2.72 0.11 -1.86 -1.15 132.00 140.76 2wxl h PRO 658 Ca -0.28 -0.01 -0.01 0.00 0.11 0.00 0.00 66.00 65.81 2wxl h PRO 658 Cb 1.10 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 32.16 2wxl h PRO 658 CO 0.93 0.14 -0.04 0.66 -0.21 0.00 0.00 178.00 179.47 2wxl h SER 659 N 0.21 0.00 -0.00 -2.05 4.64 -1.94 -3.18 113.55 111.23 2wxl h SER 659 Ca 0.58 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.90 2wxl h SER 659 Cb 1.83 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.92 2wxl h SER 659 CO -0.18 0.04 -0.10 1.33 -0.87 0.00 0.00 176.83 177.06 2wxl n VAL 660 N -3.13 0.00 -0.19 0.95 0.24 -0.54 -4.83 118.33 110.83 2wxl n VAL 660 Ca 0.02 -0.45 -0.01 0.00 -2.04 0.00 0.00 64.34 61.85 2wxl n VAL 660 Cb 0.39 1.03 0.09 0.00 -1.47 0.00 0.00 33.84 33.88 2wxl n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxl h ALA 661 N 0.53 0.74 0.54 2.33 0.00 -1.25 0.39 119.26 122.54 2wxl h ALA 661 Ca 0.00 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wxl h ALA 661 Cb 0.10 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.92 2wxl h ALA 661 CO 0.00 -0.17 -0.26 1.25 0.00 0.00 0.00 179.25 180.08 2wxl h LEU 662 N 0.43 -0.61 -0.02 0.00 5.85 -1.88 0.07 115.31 119.15 2wxl h LEU 662 Ca 0.28 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.99 2wxl h LEU 662 Cb 0.31 0.16 -0.05 0.00 0.37 0.00 0.00 40.66 41.45 2wxl h LEU 662 CO -0.27 -0.31 -0.26 -0.09 -0.34 0.00 0.00 178.44 177.18 2wxl h ARG 663 N -0.91 -0.37 -0.47 1.25 2.43 -1.85 -1.68 114.38 112.77 2wxl h ARG 663 Ca -0.07 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 2wxl h ARG 663 Cb 0.62 0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.23 2wxl h ARG 663 CO 0.12 -0.25 0.16 0.74 -1.51 0.00 0.00 179.97 179.23 2wxl h PHE 664 N -0.39 0.74 -0.53 2.20 -1.00 -0.95 -2.35 116.94 114.66 2wxl h PHE 664 Ca 0.07 -0.07 0.10 0.00 2.81 0.00 0.00 57.97 60.88 2wxl h PHE 664 Cb 0.48 -0.22 -0.08 0.00 3.61 0.00 0.00 35.95 39.74 2wxl h PHE 664 CO -0.30 0.65 0.04 0.78 -1.61 0.00 0.00 178.31 177.87 2wxl h GLY 665 N 0.62 0.59 1.00 -1.45 0.00 -0.87 -1.45 103.07 101.51 2wxl h GLY 665 Ca 0.15 0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.51 2wxl h GLY 665 CO -0.01 -0.13 0.40 1.41 0.00 0.00 0.00 176.54 178.21 2wxl h LEU 666 N 0.16 0.75 -0.57 3.11 3.38 -1.08 -0.99 115.31 120.07 2wxl h LEU 666 Ca 0.27 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 2wxl h LEU 666 Cb 0.40 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2wxl h LEU 666 CO -0.41 0.57 0.11 0.40 0.09 0.00 0.00 178.44 179.20 2wxl h ILE 667 N 0.86 1.25 -0.57 1.22 2.04 -1.09 -1.48 117.51 119.74 2wxl h ILE 667 Ca 0.23 -0.95 -0.08 0.00 1.00 0.00 0.00 64.86 65.06 2wxl h ILE 667 Cb -0.05 0.77 -0.02 0.00 -0.74 0.00 0.00 36.82 36.78 2wxl h ILE 667 CO -0.05 0.35 0.04 0.24 0.00 0.00 0.00 178.15 178.73 2wxl h MET 668 N 0.83 0.96 0.36 2.37 2.86 -1.02 -0.37 114.93 120.92 2wxl h MET 668 Ca 0.17 -0.26 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 2wxl h MET 668 Cb 0.40 -0.11 -0.01 0.00 0.06 0.00 0.00 31.60 31.94 2wxl h MET 668 CO 0.01 0.92 -0.23 1.49 1.06 0.00 0.00 176.91 180.16 2wxl h GLU 669 N 0.89 -0.55 -0.39 1.72 4.81 -0.98 -0.91 114.58 119.16 2wxl h GLU 669 Ca 0.17 0.04 0.08 0.00 -0.13 0.00 0.00 59.36 59.52 2wxl h GLU 669 Cb 0.47 0.13 -0.09 0.00 0.63 0.00 0.00 28.75 29.89 2wxl h GLU 669 CO 0.02 -0.37 -0.22 0.00 -0.73 0.00 0.00 179.01 177.71 2wxl h ALA 670 N 0.03 0.04 -0.44 2.92 0.00 -1.14 -1.00 119.26 119.68 2wxl h ALA 670 Ca -0.04 0.13 0.09 0.00 0.00 0.00 0.00 54.91 55.10 2wxl h ALA 670 Cb 0.48 0.52 -0.09 0.00 0.00 0.00 0.00 17.79 18.70 2wxl h ALA 670 CO 0.03 -0.59 -0.14 -0.92 0.00 0.00 0.00 179.25 177.63 2wxl h TYR 671 N -0.15 -0.32 -0.96 0.00 3.20 -0.89 -1.89 116.97 115.96 2wxl h TYR 671 Ca 0.19 0.04 0.05 0.00 3.14 0.00 0.00 58.73 62.15 2wxl h TYR 671 Cb 0.45 0.21 -0.06 0.00 1.54 0.00 0.00 36.73 38.87 2wxl h TYR 671 CO -0.45 -0.22 0.62 0.00 -1.64 0.00 0.00 178.16 176.47 2wxl h ARG 673 N 1.16 0.66 0.00 0.00 2.47 -0.43 -2.01 114.38 116.24 2wxl h ARG 673 Ca 0.39 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.07 2wxl h ARG 673 Cb 0.08 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.25 2wxl h ARG 673 CO -0.13 0.44 0.00 0.41 0.56 0.00 0.00 179.97 181.24 2wxl n GLY 674 N -1.46 -1.46 3.15 0.04 0.00 0.07 -4.53 105.19 101.00 2wxl n GLY 674 Ca 0.08 -0.02 0.03 0.00 0.00 0.00 0.00 46.02 46.11 2wxl n GLY 674 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxl s SER 675 N -3.88 -1.47 0.16 1.61 0.15 -0.76 -4.30 113.70 105.20 2wxl s SER 675 Ca 0.10 -0.11 -0.10 0.00 0.70 0.00 0.00 55.95 56.54 2wxl s SER 675 Cb 0.13 1.91 -0.00 0.00 -1.71 0.00 0.00 66.02 66.34 2wxl s SER 675 CO 0.49 -0.24 1.51 0.74 1.20 0.00 0.00 173.24 176.94 2wxl h THR 676 N 5.52 1.27 0.29 6.45 2.02 -1.81 -2.41 112.91 124.25 2wxl h THR 676 Ca -0.00 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.66 2wxl h THR 676 Cb 1.19 1.31 0.00 0.00 -1.74 0.00 0.00 68.15 68.91 2wxl h THR 676 CO 0.11 0.51 -0.14 -0.74 0.37 0.00 0.00 175.52 175.63 2wxl h HIS 677 N 0.77 -0.36 -0.07 3.16 -0.00 -1.82 -2.80 115.15 114.03 2wxl h HIS 677 Ca 0.07 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2wxl h HIS 677 Cb 0.92 0.12 -0.00 0.00 -0.00 0.00 0.00 27.41 28.45 2wxl h HIS 677 CO 0.06 -0.16 0.02 1.25 -0.00 0.00 0.00 177.93 179.10 2wxl h HIS 678 N -0.49 0.09 -0.54 5.26 -0.00 -1.90 -0.75 115.15 116.82 2wxl h HIS 678 Ca -0.04 0.00 0.05 0.00 -0.00 0.00 0.00 60.37 60.39 2wxl h HIS 678 Cb 0.37 -0.03 -0.05 0.00 -0.00 0.00 0.00 27.41 27.70 2wxl h HIS 678 CO -0.03 0.08 0.26 1.98 -0.00 0.00 0.00 177.93 180.22 2wxl h MET 679 N 0.09 0.48 -0.27 5.26 -1.53 -1.26 0.39 114.93 118.09 2wxl h MET 679 Ca 0.02 -0.03 -0.11 0.00 -3.44 0.00 0.00 59.70 56.15 2wxl h MET 679 Cb 0.03 -0.11 -0.01 0.00 -0.55 0.00 0.00 31.60 30.96 2wxl h MET 679 CO -0.00 0.32 -0.29 0.87 0.14 0.00 0.00 176.91 177.94 2wxl h LYS 680 N 0.49 0.55 -0.51 0.39 1.57 -0.90 0.15 116.57 118.31 2wxl h LYS 680 Ca 0.24 -0.23 -0.05 0.00 -1.87 0.00 0.00 60.65 58.74 2wxl h LYS 680 Cb 0.18 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 2wxl h LYS 680 CO -0.19 0.79 0.12 0.28 -0.57 0.00 0.00 179.45 179.88 2wxl h VAL 681 N 0.48 1.24 -0.60 0.50 2.07 -1.06 -2.49 116.25 116.39 2wxl h VAL 681 Ca 0.06 -0.86 -0.09 0.00 0.82 0.00 0.00 66.70 66.63 2wxl h VAL 681 Cb 0.75 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 2wxl h VAL 681 CO 0.06 0.31 0.02 -0.07 0.02 0.00 0.00 177.57 177.91 2wxl h LEU 682 N 0.71 1.02 -0.73 2.57 3.38 -0.70 -2.90 115.31 118.65 2wxl h LEU 682 Ca 0.16 -0.28 0.02 0.00 0.09 0.00 0.00 57.88 57.87 2wxl h LEU 682 Cb 0.34 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.78 2wxl h LEU 682 CO 0.00 1.06 0.48 0.24 0.09 0.00 0.00 178.44 180.31 2wxl h MET 683 N 0.96 0.93 -0.67 1.13 2.86 -0.59 -0.66 114.93 118.89 2wxl h MET 683 Ca 0.18 -0.06 0.10 0.00 -2.06 0.00 0.00 59.70 57.86 2wxl h MET 683 Cb 0.52 -0.21 -0.08 0.00 0.06 0.00 0.00 31.60 31.90 2wxl h MET 683 CO 0.03 0.62 0.28 -0.22 1.06 0.00 0.00 176.91 178.67 2wxl h LYS 684 N 0.96 0.46 -0.56 1.72 1.63 -1.38 0.28 116.57 119.67 2wxl h LYS 684 Ca 0.28 -0.03 -0.04 0.00 -0.85 0.00 0.00 60.65 60.01 2wxl h LYS 684 Cb -0.07 -0.10 -0.02 0.00 -0.60 0.00 0.00 32.23 31.43 2wxl h LYS 684 CO -0.08 0.30 0.19 1.96 -3.45 0.00 0.00 179.45 178.37 2wxl h GLN 685 N 0.47 0.86 -0.61 1.90 4.20 -1.12 -2.31 115.11 118.50 2wxl h GLN 685 Ca 0.34 -0.18 0.01 0.00 0.06 0.00 0.00 58.65 58.88 2wxl h GLN 685 Cb 0.42 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 2wxl h GLN 685 CO -0.31 0.78 0.40 0.78 -0.67 0.00 0.00 178.83 179.80 2wxl h GLY 686 N 0.78 0.85 1.24 3.46 0.00 -0.70 -0.92 103.07 107.77 2wxl h GLY 686 Ca 0.18 -0.31 -0.08 0.00 0.00 0.00 0.00 47.33 47.12 2wxl h GLY 686 CO -0.01 0.30 0.03 0.83 0.00 0.00 0.00 176.54 177.69 2wxl h GLU 687 N 0.81 0.93 -0.40 4.80 5.08 -0.76 0.06 114.58 125.10 2wxl h GLU 687 Ca 0.22 -0.26 -0.09 0.00 -1.00 0.00 0.00 59.36 58.24 2wxl h GLU 687 Cb -0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.06 2wxl h GLU 687 CO -0.05 0.90 -0.09 0.00 -1.00 0.00 0.00 179.01 178.78 2wxl h ALA 688 N 1.16 0.55 -0.26 3.43 0.00 -0.91 -2.31 119.26 120.92 2wxl h ALA 688 Ca 0.17 -0.31 -0.09 0.00 0.00 0.00 0.00 54.91 54.67 2wxl h ALA 688 Cb 0.47 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 2wxl h ALA 688 CO 0.02 0.41 -0.23 -0.07 0.00 0.00 0.00 179.25 179.38 2wxl h LEU 689 N 0.58 0.49 -0.33 0.00 3.38 -0.94 -1.08 115.31 117.40 2wxl h LEU 689 Ca 0.10 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 2wxl h LEU 689 Cb 0.61 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2wxl h LEU 689 CO 0.04 0.72 0.19 -1.28 0.09 0.00 0.00 178.44 178.20 2wxl h SER 690 N 0.43 0.41 -0.61 -0.43 0.87 -0.87 -1.97 113.55 111.37 2wxl h SER 690 Ca 0.07 -0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.53 2wxl h SER 690 Cb 0.64 -0.10 -0.03 0.00 -0.44 0.00 0.00 62.40 62.47 2wxl h SER 690 CO 0.05 0.36 0.29 0.11 -0.53 0.00 0.00 176.83 177.11 2wxl h LYS 691 N 0.42 0.89 -0.63 2.24 1.79 -1.13 -2.41 116.57 117.75 2wxl h LYS 691 Ca 0.12 -0.13 -0.04 0.00 -2.18 0.00 0.00 60.65 58.41 2wxl h LYS 691 Cb 0.04 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 30.50 2wxl h LYS 691 CO -0.02 0.72 0.22 -0.07 -1.08 0.00 0.00 179.45 179.22 2wxl h LEU 692 N 0.84 0.86 0.16 2.94 3.38 -1.04 -0.34 115.31 122.11 2wxl h LEU 692 Ca 0.21 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wxl h LEU 692 Cb 0.13 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 40.66 2wxl h LEU 692 CO -0.03 0.79 -0.08 0.50 0.09 0.00 0.00 178.44 179.71 2wxl h LYS 693 N 0.91 -0.22 -0.99 1.13 1.63 -1.24 0.38 116.57 118.16 2wxl h LYS 693 Ca 0.21 0.02 0.04 0.00 -0.85 0.00 0.00 60.65 60.06 2wxl h LYS 693 Cb 0.22 0.05 -0.06 0.00 -0.60 0.00 0.00 32.23 31.84 2wxl h LYS 693 CO -0.01 -0.15 0.65 0.00 -3.45 0.00 0.00 179.45 176.49 2wxl h ALA 694 N 0.61 1.32 -0.31 5.00 0.00 -1.01 0.15 119.26 125.03 2wxl h ALA 694 Ca -0.02 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.76 2wxl h ALA 694 Cb 0.18 -0.35 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2wxl h ALA 694 CO 0.03 0.53 -0.13 1.25 0.00 0.00 0.00 179.25 180.93 2wxl h LEU 695 N 1.24 0.65 -0.87 0.00 5.85 -0.75 -2.24 115.31 119.19 2wxl h LEU 695 Ca 0.40 -0.40 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2wxl h LEU 695 Cb 0.02 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 2wxl h LEU 695 CO -0.13 0.91 0.27 -1.13 -0.34 0.00 0.00 178.44 178.02 2wxl h ASN 696 N 0.40 1.02 -0.90 1.25 -0.73 0.10 -1.02 115.58 115.69 2wxl h ASN 696 Ca 0.07 -0.16 0.02 0.00 1.87 0.00 0.00 56.30 58.10 2wxl h ASN 696 Cb 0.65 -0.26 -0.05 0.00 0.27 0.00 0.00 38.32 38.93 2wxl h ASN 696 CO 0.04 0.92 0.59 0.44 -0.37 0.00 0.00 177.43 179.05 2wxl h ASP 697 N 1.07 1.01 -0.14 1.15 3.32 -0.56 -0.51 116.42 121.75 2wxl h ASP 697 Ca 0.24 -0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.27 2wxl h ASP 697 Cb 0.23 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.53 2wxl h ASP 697 CO -0.02 0.72 0.07 0.15 -1.72 0.00 0.00 179.24 178.44 2wxl h PHE 698 N 1.18 0.20 -0.35 4.55 3.57 -0.84 -2.32 116.94 122.93 2wxl h PHE 698 Ca 0.34 -0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.88 2wxl h PHE 698 Cb -0.09 -0.06 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 2wxl h PHE 698 CO -0.01 0.22 0.10 0.28 -2.23 0.00 0.00 178.31 176.67 2wxl h VAL 699 N 0.12 0.87 -0.28 1.41 2.07 -0.96 0.13 116.25 119.61 2wxl h VAL 699 Ca 0.05 -0.08 0.07 0.00 0.82 0.00 0.00 66.70 67.56 2wxl h VAL 699 Cb 0.09 0.61 -0.07 0.00 -1.52 0.00 0.00 31.29 30.40 2wxl h VAL 699 CO -0.01 0.04 -0.19 0.11 0.02 0.00 0.00 177.57 177.55 2wxl h LYS 700 N 0.23 -0.16 -0.13 1.57 1.57 -1.01 0.37 116.57 119.01 2wxl h LYS 700 Ca 0.16 0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2wxl h LYS 700 Cb 0.16 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 2wxl h LYS 700 CO -0.19 -0.11 0.07 0.28 -0.57 0.00 0.00 179.45 178.93 2wxl h VAL 701 N -0.17 1.11 -0.52 0.50 2.07 -0.97 -3.05 116.25 115.23 2wxl h VAL 701 Ca 0.15 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.29 2wxl h VAL 701 Cb 0.40 1.08 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 2wxl h VAL 701 CO -0.38 0.10 0.10 -1.28 0.02 0.00 0.00 177.57 176.13 2wxl h SER 702 N 0.10 0.76 0.17 0.57 0.87 -0.48 -2.68 113.55 112.86 2wxl h SER 702 Ca 0.05 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.44 2wxl h SER 702 Cb 0.11 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 61.86 2wxl h SER 702 CO -0.01 0.77 -0.09 0.77 -0.53 0.00 0.00 176.83 177.74 2wxl h SER 703 N 0.78 0.00 -0.06 6.23 4.64 -0.81 -0.41 113.55 123.91 2wxl h SER 703 Ca 0.17 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.49 2wxl h SER 703 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2wxl h SER 703 CO 0.00 0.09 0.00 0.00 -0.87 0.00 0.00 176.83 176.05 2wxl n GLN 704 N -3.96 1.34 0.00 4.77 6.02 -1.01 -4.20 117.38 120.34 2wxl n GLN 704 Ca -0.02 -0.51 0.00 0.00 -0.01 0.00 0.00 57.00 56.46 2wxl n GLN 704 Cb 0.18 -1.37 0.00 0.00 1.02 0.00 0.00 30.24 30.07 2wxl n GLN 704 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wxl n LYS 705 N -0.30 3.30 -3.88 -1.09 5.02 -0.22 -5.12 118.16 115.88 2wxl n LYS 705 Ca 0.16 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.36 2wxl n LYS 705 Cb 0.20 -0.63 -0.00 0.00 -0.02 0.00 0.00 35.03 34.58 2wxl n LYS 705 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wxl s THR 706 N -1.12 0.00 0.57 -0.18 -1.32 -0.88 -5.11 115.64 107.60 2wxl s THR 706 Ca 0.00 -1.12 -0.17 0.00 -1.21 0.00 0.00 61.69 59.19 2wxl s THR 706 Cb 0.00 -2.61 -0.05 0.00 -1.51 0.00 0.00 72.50 68.33 2wxl s THR 706 CO 0.00 0.00 1.06 0.42 -2.21 0.00 0.00 174.62 173.89 2wxl s THR 707 N -2.89 3.79 0.18 5.08 -4.23 -1.26 -4.73 115.64 111.58 2wxl s THR 707 Ca 0.17 0.90 -0.14 0.00 -1.18 0.00 0.00 61.69 61.45 2wxl s THR 707 Cb -0.04 -3.39 0.07 0.00 1.34 0.00 0.00 72.50 70.47 2wxl s THR 707 CO 0.12 -0.45 1.81 0.50 -0.54 0.00 0.00 174.62 176.06 2wxl h LYS 708 N 0.67 0.56 -0.90 3.99 3.64 -1.96 0.05 116.57 122.62 2wxl h LYS 708 Ca -0.47 -0.03 0.21 0.00 -1.27 0.00 0.00 60.65 59.08 2wxl h LYS 708 Cb 1.22 -0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.80 2wxl h LYS 708 CO 0.58 0.37 0.42 -1.35 -2.27 0.00 0.00 179.45 177.20 2wxl h PRO 709 N 0.58 0.44 -0.10 1.90 0.11 -1.99 0.10 132.00 133.05 2wxl h PRO 709 Ca 0.21 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 66.25 2wxl h PRO 709 Cb 0.04 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 2wxl h PRO 709 CO -0.10 0.29 -0.09 1.96 -0.21 0.00 0.00 178.00 179.84 2wxl h GLN 710 N 0.45 0.23 -1.00 1.05 4.20 -1.42 -2.07 115.11 116.56 2wxl h GLN 710 Ca 0.55 -0.12 0.05 0.00 0.06 0.00 0.00 58.65 59.19 2wxl h GLN 710 Cb 1.01 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.73 2wxl h GLN 710 CO -0.50 0.65 0.65 1.15 -0.67 0.00 0.00 178.83 180.11 2wxl h THR 711 N -0.18 1.13 -0.29 -0.54 2.02 -0.81 -1.16 112.91 113.08 2wxl h THR 711 Ca 0.02 -0.42 -0.05 0.00 0.77 0.00 0.00 66.41 66.73 2wxl h THR 711 Cb 0.61 -0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.82 2wxl h THR 711 CO 0.02 0.22 -0.00 0.50 0.37 0.00 0.00 175.52 176.63 2wxl h LYS 712 N 1.21 0.51 -0.94 6.66 3.64 -0.76 0.18 116.57 127.09 2wxl h LYS 712 Ca 0.41 -0.17 -0.00 0.00 -1.27 0.00 0.00 60.65 59.63 2wxl h LYS 712 Cb 0.09 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 31.82 2wxl h LYS 712 CO -0.15 0.67 0.58 1.49 -2.27 0.00 0.00 179.45 179.77 2wxl h GLU 713 N 0.30 1.26 -0.49 1.90 4.57 -1.11 -1.16 114.58 119.86 2wxl h GLU 713 Ca 0.08 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 58.06 2wxl h GLU 713 Cb 0.44 -0.27 -0.02 0.00 -0.16 0.00 0.00 28.75 28.74 2wxl h GLU 713 CO 0.02 0.87 -0.11 0.52 -1.18 0.00 0.00 179.01 179.12 2wxl h MET 714 N 1.28 0.90 -0.23 1.92 2.86 -0.91 -0.89 114.93 119.87 2wxl h MET 714 Ca 0.34 -0.32 0.04 0.00 -2.06 0.00 0.00 59.70 57.70 2wxl h MET 714 Cb -0.09 -0.07 -0.04 0.00 0.06 0.00 0.00 31.60 31.47 2wxl h MET 714 CO -0.07 0.96 -0.02 1.98 1.06 0.00 0.00 176.91 180.83 2wxl h MET 715 N 0.81 0.04 -0.42 1.72 1.85 -0.31 -0.93 114.93 117.69 2wxl h MET 715 Ca 0.13 -0.00 0.05 0.00 -0.61 0.00 0.00 59.70 59.26 2wxl h MET 715 Cb 0.63 -0.01 -0.04 0.00 0.43 0.00 0.00 31.60 32.61 2wxl h MET 715 CO 0.04 0.03 0.17 0.45 -0.40 0.00 0.00 176.91 177.20 2wxl h HIS 716 N 0.05 0.31 -0.55 1.39 -0.00 -0.91 -0.16 115.15 115.28 2wxl h HIS 716 Ca 0.11 0.02 0.03 0.00 -0.00 0.00 0.00 60.37 60.53 2wxl h HIS 716 Cb 0.15 -0.08 -0.04 0.00 -0.00 0.00 0.00 27.41 27.44 2wxl h HIS 716 CO -0.20 0.13 0.33 0.52 -0.00 0.00 0.00 177.93 178.70 2wxl h MET 717 N 0.35 0.63 -0.47 2.45 2.86 -0.97 -0.75 114.93 119.03 2wxl h MET 717 Ca 0.19 -0.04 0.04 0.00 -2.06 0.00 0.00 59.70 57.83 2wxl h MET 717 Cb 0.16 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.63 2wxl h MET 717 CO -0.18 0.41 0.24 0.00 1.06 0.00 0.00 176.91 178.45 2wxl h MET 719 N 0.48 0.00 -0.00 0.00 2.86 -0.61 -2.88 114.93 114.79 2wxl h MET 719 Ca 0.20 -0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.84 2wxl h MET 719 Cb 0.10 -0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.76 2wxl h MET 719 CO -0.14 0.24 -0.06 0.54 1.06 0.00 0.00 176.91 178.55 2wxl n ARG 720 N -4.25 0.78 -1.88 1.72 1.74 -0.33 -2.87 116.66 111.57 2wxl n ARG 720 Ca -0.02 -0.21 -0.40 0.00 -0.77 0.00 0.00 57.85 56.45 2wxl n ARG 720 Cb 0.29 -1.50 0.01 0.00 -1.02 0.00 0.00 32.46 30.25 2wxl n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wxl s GLN 721 N -2.36 3.80 0.21 5.56 -0.21 -1.09 -4.80 119.66 120.76 2wxl s GLN 721 Ca 0.33 2.34 -0.10 0.00 0.02 0.00 0.00 55.36 57.95 2wxl s GLN 721 Cb 0.21 -2.71 0.27 0.00 1.00 0.00 0.00 33.01 31.78 2wxl s GLN 721 CO 0.44 -0.69 1.71 0.93 -2.12 0.00 0.00 175.29 175.56 2wxl h GLU 722 N 2.48 0.25 -0.81 2.91 5.08 -1.90 0.20 114.58 122.80 2wxl h GLU 722 Ca -0.50 -0.02 0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2wxl h GLU 722 Cb 1.26 -0.06 -0.05 0.00 0.50 0.00 0.00 28.75 30.40 2wxl h GLU 722 CO 0.62 0.17 0.53 1.79 -1.00 0.00 0.00 179.01 181.11 2wxl h THR 723 N 0.26 1.09 0.06 1.13 1.35 -1.93 -1.18 112.91 113.69 2wxl h THR 723 Ca 0.30 -0.32 -0.19 0.00 -0.55 0.00 0.00 66.41 65.65 2wxl h THR 723 Cb 0.44 0.07 0.02 0.00 -1.73 0.00 0.00 68.15 66.94 2wxl h THR 723 CO -0.38 0.17 -0.78 1.88 -0.25 0.00 0.00 175.52 176.16 2wxl h TYR 724 N 0.94 0.67 -0.94 4.73 -1.99 -1.46 -2.04 116.97 116.89 2wxl h TYR 724 Ca 0.33 -0.41 0.07 0.00 2.00 0.00 0.00 58.73 60.73 2wxl h TYR 724 Cb 0.13 -0.06 -0.07 0.00 2.00 0.00 0.00 36.73 38.74 2wxl h TYR 724 CO -0.00 1.26 0.59 0.52 -0.00 0.00 0.00 178.16 180.52 2wxl h MET 725 N -0.10 1.01 -0.07 4.88 2.86 -0.76 -0.51 114.93 122.24 2wxl h MET 725 Ca -0.11 -0.06 -0.12 0.00 -2.06 0.00 0.00 59.70 57.35 2wxl h MET 725 Cb 1.51 -0.23 0.01 0.00 0.06 0.00 0.00 31.60 32.95 2wxl h MET 725 CO 0.15 0.67 -0.42 1.49 1.06 0.00 0.00 176.91 179.86 2wxl h GLU 726 N 1.04 0.41 -0.62 1.72 4.22 -1.31 -2.91 114.58 117.14 2wxl h GLU 726 Ca 0.42 -0.35 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 2wxl h GLU 726 Cb 0.23 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.53 2wxl h GLU 726 CO -0.19 0.99 0.10 0.00 -2.18 0.00 0.00 179.01 177.73 2wxl h ALA 727 N 0.43 1.01 0.00 2.92 0.00 -1.09 -3.21 119.26 119.32 2wxl h ALA 727 Ca -0.03 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wxl h ALA 727 Cb 1.07 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2wxl h ALA 727 CO 0.09 0.63 -0.40 1.28 0.00 0.00 0.00 179.25 180.84 2wxl n LEU 728 N -4.23 0.47 -4.79 0.00 4.77 -0.22 -4.01 117.00 108.99 2wxl n LEU 728 Ca 0.04 0.20 -0.30 0.00 -0.03 0.00 0.00 56.01 55.92 2wxl n LEU 728 Cb 0.28 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 41.02 2wxl n LEU 728 CO 0.42 0.03 -0.25 -0.44 -1.33 0.00 0.00 177.39 175.82 2wxl s SER 729 N -3.43 5.60 -0.53 -1.43 0.01 -1.10 -4.64 113.70 108.18 2wxl s SER 729 Ca 0.10 0.01 -0.02 0.00 1.31 0.00 0.00 55.95 57.35 2wxl s SER 729 Cb 0.16 -1.52 -0.02 0.00 0.21 0.00 0.00 66.02 64.85 2wxl s SER 729 CO 0.66 0.17 0.46 1.41 0.41 0.00 0.00 173.24 176.35 2wxl n HIS 730 N 0.40 -1.14 -4.29 2.43 8.25 0.10 -4.93 115.22 116.04 2wxl n HIS 730 Ca -0.08 0.43 -0.16 0.00 -0.26 0.00 0.00 57.72 57.65 2wxl n HIS 730 Cb 0.52 -3.36 -0.10 0.00 1.12 0.00 0.00 29.99 28.17 2wxl n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxl s LEU 731 N -4.14 2.49 0.24 2.41 2.34 -0.09 -4.97 118.68 116.96 2wxl s LEU 731 Ca 0.14 -1.05 -0.30 0.00 0.06 0.00 0.00 54.13 52.99 2wxl s LEU 731 Cb -0.02 -0.43 -0.09 0.00 -0.56 0.00 0.00 46.19 45.10 2wxl s LEU 731 CO 0.36 -0.32 1.02 -1.10 -1.06 0.00 0.00 176.35 175.25 2wxl s GLN 732 N -3.74 4.73 0.14 1.48 -0.21 -1.26 -0.23 119.66 120.57 2wxl s GLN 732 Ca 0.20 1.64 -0.31 0.00 0.02 0.00 0.00 55.36 56.91 2wxl s GLN 732 Cb 0.02 -3.25 -0.09 0.00 1.00 0.00 0.00 33.01 30.69 2wxl s GLN 732 CO 0.04 0.32 1.50 0.45 -2.12 0.00 0.00 175.29 175.47 2wxl s SER 733 N -0.82 6.68 0.62 5.90 0.15 -0.31 -4.85 113.70 121.06 2wxl s SER 733 Ca 0.44 2.49 0.33 0.00 0.70 0.00 0.00 55.95 59.91 2wxl s SER 733 Cb -0.29 -2.59 1.90 0.00 -1.71 0.00 0.00 66.02 63.34 2wxl s SER 733 CO 0.36 -0.76 2.21 -0.65 1.20 0.00 0.00 173.24 175.60 2wxl h PRO 734 N 6.92 0.00 0.00 5.44 0.11 -1.95 -1.74 132.00 140.78 2wxl h PRO 734 Ca -0.42 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.65 2wxl h PRO 734 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.31 2wxl h PRO 734 CO 0.90 0.00 -0.19 -0.07 -0.21 0.00 0.00 178.00 178.43 2wxl h LEU 735 N 0.00 0.00 -6.00 2.35 3.38 -1.96 -3.43 115.31 109.65 2wxl h LEU 735 Ca 0.03 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.18 2wxl h LEU 735 Cb 0.21 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.76 2wxl h LEU 735 CO -0.00 0.19 -0.05 -0.62 0.09 0.00 0.00 178.44 178.05 2wxl s ASP 736 N -6.13 -0.66 0.18 -0.43 2.15 -0.67 -4.89 116.67 106.23 2wxl s ASP 736 Ca 0.02 0.16 0.18 0.00 0.43 0.00 0.00 52.55 53.34 2wxl s ASP 736 Cb 0.09 1.46 0.82 0.00 -0.30 0.00 0.00 42.92 44.98 2wxl s ASP 736 CO 0.63 -0.12 1.55 -0.81 -0.17 0.00 0.00 175.17 176.25 2wxl n PRO 737 N 5.26 0.11 0.00 4.34 -0.04 -1.16 -0.75 135.00 142.77 2wxl n PRO 737 Ca 0.04 0.45 0.14 0.00 -0.04 0.00 0.00 63.50 64.09 2wxl n PRO 737 Cb 0.56 -1.77 0.60 0.00 -0.04 0.00 0.00 33.50 32.85 2wxl n PRO 737 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2wxl n SER 738 N -1.99 0.20 -4.65 3.54 3.41 -1.26 -4.60 113.62 108.27 2wxl n SER 738 Ca 0.01 -0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.17 2wxl n SER 738 Cb 0.14 -0.23 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 2wxl n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxl s THR 739 N -2.76 4.98 -0.16 6.66 2.01 0.08 -1.09 115.64 125.36 2wxl s THR 739 Ca 0.21 1.26 -0.16 0.00 0.31 0.00 0.00 61.69 63.31 2wxl s THR 739 Cb 0.19 -3.98 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 2wxl s THR 739 CO 0.52 0.06 0.37 -0.76 -0.69 0.00 0.00 174.62 174.13 2wxl s LEU 740 N 2.18 4.23 -0.48 4.42 1.43 -1.26 -1.17 118.68 128.03 2wxl s LEU 740 Ca 0.30 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.87 2wxl s LEU 740 Cb -0.16 -2.50 0.11 0.00 0.03 0.00 0.00 46.19 43.67 2wxl s LEU 740 CO 0.10 0.03 0.38 -0.76 0.23 0.00 0.00 176.35 176.32 2wxl s LEU 741 N 0.72 5.71 0.00 1.79 1.43 0.69 -4.93 118.68 124.08 2wxl s LEU 741 Ca 0.20 -1.70 0.00 0.00 -1.03 0.00 0.00 54.13 51.60 2wxl s LEU 741 Cb -0.14 -2.09 0.00 0.00 0.03 0.00 0.00 46.19 43.99 2wxl s LEU 741 CO 0.07 -0.70 0.00 -0.62 0.23 0.00 0.00 176.35 175.33 2wxl n GLU 742 N 5.05 0.00 -3.78 1.70 -0.58 -1.26 -0.81 120.64 120.96 2wxl n GLU 742 Ca -0.11 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.28 2wxl n GLU 742 Cb 0.41 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.19 2wxl n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxl s GLU 743 N 0.20 4.05 0.21 3.49 1.03 -0.62 0.01 118.70 127.06 2wxl s GLU 743 Ca 0.00 -0.29 -0.31 0.00 0.03 0.00 0.00 54.97 54.40 2wxl s GLU 743 Cb 0.00 -3.41 -0.11 0.00 -0.80 0.00 0.00 34.13 29.81 2wxl s GLU 743 CO 0.00 0.17 1.62 0.54 -1.33 0.00 0.00 175.26 176.26 2wxl s VAL 744 N 0.71 2.29 -0.91 1.83 0.11 -1.26 -1.18 120.40 121.99 2wxl s VAL 744 Ca 0.06 0.22 -0.15 0.00 -2.93 0.00 0.00 61.98 59.18 2wxl s VAL 744 Cb -0.13 -3.14 0.20 0.00 -1.53 0.00 0.00 36.38 31.79 2wxl s VAL 744 CO 0.02 0.02 0.94 0.00 -3.33 0.00 0.00 175.10 172.75 2wxl h VAL 746 N 4.91 0.92 0.00 0.00 2.07 -1.92 -1.23 116.25 121.00 2wxl h VAL 746 Ca 0.14 -0.34 -0.04 0.00 0.82 0.00 0.00 66.70 67.29 2wxl h VAL 746 Cb 1.01 -0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 2wxl h VAL 746 CO 0.91 0.18 -0.17 -0.08 0.02 0.00 0.00 177.57 178.42 2wxl h GLU 747 N 0.99 0.00 -0.41 1.57 4.57 -1.97 -0.44 114.58 118.90 2wxl h GLU 747 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 2wxl h GLU 747 Cb 0.49 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 2wxl h GLU 747 CO -0.26 0.17 0.00 1.04 -1.18 0.00 0.00 179.01 178.78 2wxl n GLN 748 N -3.71 2.41 -3.10 1.92 6.02 -0.49 -4.92 117.38 115.50 2wxl n GLN 748 Ca -0.02 -2.14 -0.36 0.00 -0.01 0.00 0.00 57.00 54.48 2wxl n GLN 748 Cb 0.29 -1.50 -0.06 0.00 1.02 0.00 0.00 30.24 29.99 2wxl n GLN 748 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wxl n THR 750 N 0.54 0.00 -3.88 0.00 5.66 -0.61 -4.96 114.28 111.03 2wxl n THR 750 Ca -0.01 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 60.89 2wxl n THR 750 Cb 0.51 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.21 2wxl n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxl s PHE 751 N -2.79 0.13 0.31 1.09 -0.71 -1.26 -1.14 117.98 113.61 2wxl s PHE 751 Ca 0.00 -0.44 0.05 0.00 -1.04 0.00 0.00 56.93 55.50 2wxl s PHE 751 Cb 0.00 -0.08 -0.02 0.00 -1.21 0.00 0.00 43.02 41.71 2wxl s PHE 751 CO 0.00 -0.43 0.45 -1.64 -1.34 0.00 0.00 175.22 172.25 2wxl s MET 752 N -2.92 3.27 0.12 1.99 -1.94 0.38 -4.95 119.30 115.25 2wxl s MET 752 Ca -0.02 -0.82 0.25 0.00 -1.71 0.00 0.00 55.69 53.39 2wxl s MET 752 Cb 0.01 -2.82 0.59 0.00 2.01 0.00 0.00 34.83 34.62 2wxl s MET 752 CO -0.06 0.19 1.52 -0.25 -0.01 0.00 0.00 175.02 176.41 2wxl n ASP 753 N -1.59 0.63 -4.44 3.03 8.00 -1.26 -4.03 116.55 116.89 2wxl n ASP 753 Ca -0.04 0.24 -0.28 0.00 0.71 0.00 0.00 54.79 55.41 2wxl n ASP 753 Cb 0.57 -0.16 0.26 0.00 -0.02 0.00 0.00 41.12 41.77 2wxl n ASP 753 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 2wxl n SER 754 N -2.01 -1.94 -0.30 -2.24 3.41 -1.26 -4.77 113.62 104.51 2wxl n SER 754 Ca 0.05 -0.21 -0.00 0.00 -0.26 0.00 0.00 58.87 58.45 2wxl n SER 754 Cb 0.41 -1.22 0.06 0.00 -0.26 0.00 0.00 64.21 63.20 2wxl n SER 754 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2wxl h LYS 755 N -2.72 -0.04 -0.00 4.33 3.64 -2.03 0.34 116.57 120.08 2wxl h LYS 755 Ca -0.63 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.76 2wxl h LYS 755 Cb 1.34 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.17 2wxl h LYS 755 CO 0.49 -0.03 -0.01 -1.33 -2.27 0.00 0.00 179.45 176.30 2wxl n MET 756 N -5.50 1.17 -3.78 1.90 2.81 -1.26 -4.94 117.12 107.52 2wxl n MET 756 Ca 0.10 -0.31 -0.35 0.00 -1.81 0.00 0.00 57.70 55.32 2wxl n MET 756 Cb 0.40 -1.49 0.04 0.00 -0.71 0.00 0.00 33.22 31.46 2wxl n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxl n LYS 757 N -0.64 -0.96 -1.71 0.03 4.76 0.11 -4.70 118.16 115.04 2wxl n LYS 757 Ca 0.22 0.37 -0.39 0.00 -2.87 0.00 0.00 58.31 55.64 2wxl n LYS 757 Cb 0.20 -3.69 0.04 0.00 -1.84 0.00 0.00 35.03 29.74 2wxl n LYS 757 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 2wxl n PRO 758 N -4.36 1.56 -3.48 1.97 -0.04 -1.26 -4.58 135.00 124.82 2wxl n PRO 758 Ca -0.10 0.58 -0.38 0.00 -0.04 0.00 0.00 63.50 63.56 2wxl n PRO 758 Cb 0.58 -2.45 -0.06 0.00 -0.04 0.00 0.00 33.50 31.53 2wxl n PRO 758 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2wxl s LEU 759 N -2.81 4.48 -0.32 1.53 1.43 0.39 -0.47 118.68 122.90 2wxl s LEU 759 Ca 0.71 0.99 -0.02 0.00 -1.03 0.00 0.00 54.13 54.78 2wxl s LEU 759 Cb -0.44 -2.62 0.06 0.00 0.03 0.00 0.00 46.19 43.22 2wxl s LEU 759 CO 0.50 0.32 0.04 0.86 0.23 0.00 0.00 176.35 178.30 2wxl s TRP 760 N -1.09 3.35 -0.16 0.29 -0.11 -0.29 -1.41 118.94 119.51 2wxl s TRP 760 Ca 0.24 -2.01 -0.00 0.00 1.22 0.00 0.00 56.10 55.55 2wxl s TRP 760 Cb -0.17 -2.35 -0.00 0.00 -1.50 0.00 0.00 33.47 29.44 2wxl s TRP 760 CO 0.14 -0.84 -0.13 0.42 -4.62 0.00 0.00 176.95 171.92 2wxl s ILE 761 N 1.22 2.82 0.15 5.86 -1.09 0.37 -1.58 121.20 128.94 2wxl s ILE 761 Ca -0.02 -0.71 0.05 0.00 -2.23 0.00 0.00 60.65 57.74 2wxl s ILE 761 Cb -0.20 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.43 2wxl s ILE 761 CO -0.02 0.50 0.11 -0.04 -1.23 0.00 0.00 174.94 174.26 2wxl s MET 762 N 0.86 2.83 0.10 2.79 -1.94 -1.26 -0.64 119.30 122.03 2wxl s MET 762 Ca -0.04 -0.86 0.03 0.00 -1.71 0.00 0.00 55.69 53.11 2wxl s MET 762 Cb -0.15 -2.63 -0.04 0.00 2.01 0.00 0.00 34.83 34.03 2wxl s MET 762 CO -0.00 0.50 -0.09 0.71 -0.01 0.00 0.00 175.02 176.12 2wxl s TYR 763 N -1.67 1.03 0.11 -0.03 2.02 0.25 -0.93 117.35 118.14 2wxl s TYR 763 Ca 0.30 -0.71 0.01 0.00 -0.37 0.00 0.00 57.07 56.30 2wxl s TYR 763 Cb -0.10 -0.56 -0.04 0.00 -0.40 0.00 0.00 41.96 40.85 2wxl s TYR 763 CO 0.22 -0.02 -0.03 -1.54 -1.57 0.00 0.00 175.55 172.61 2wxl s SER 764 N -2.59 0.92 -0.20 2.29 1.04 -0.32 -2.36 113.70 112.47 2wxl s SER 764 Ca 0.07 -1.07 -0.04 0.00 0.48 0.00 0.00 55.95 55.38 2wxl s SER 764 Cb -0.01 0.15 0.10 0.00 0.10 0.00 0.00 66.02 66.36 2wxl s SER 764 CO -0.01 -0.55 0.35 -0.55 0.98 0.00 0.00 173.24 173.46 2wxl s SER 765 N -3.05 0.24 0.23 7.02 0.15 -1.19 -1.59 113.70 115.50 2wxl s SER 765 Ca 0.15 0.47 -0.10 0.00 0.70 0.00 0.00 55.95 57.18 2wxl s SER 765 Cb 0.06 1.02 0.34 0.00 -1.71 0.00 0.00 66.02 65.74 2wxl s SER 765 CO -0.03 -0.27 1.64 -0.33 1.20 0.00 0.00 173.24 175.46 2wxl h GLU 766 N 8.22 0.09 -0.59 5.44 5.08 -1.94 -2.64 114.58 128.24 2wxl h GLU 766 Ca -0.17 -0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 2wxl h GLU 766 Cb 1.13 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.34 2wxl h GLU 766 CO 0.20 0.06 0.17 1.49 -1.00 0.00 0.00 179.01 179.93 2wxl h GLU 767 N 0.09 0.92 0.00 2.33 4.57 -1.97 -1.64 114.58 118.88 2wxl h GLU 767 Ca 0.36 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 58.33 2wxl h GLU 767 Cb 0.59 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 2wxl h GLU 767 CO -0.61 0.83 0.00 0.00 -1.18 0.00 0.00 179.01 178.05 2wxl n ALA 768 N -2.40 2.02 -0.77 2.92 0.00 -1.02 -4.15 120.51 117.11 2wxl n ALA 768 Ca 0.03 -0.09 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2wxl n ALA 768 Cb 0.22 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.38 2wxl n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxl n GLY 769 N 0.19 0.66 0.00 0.00 0.00 -0.62 -2.30 105.19 103.12 2wxl n GLY 769 Ca 0.10 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.66 2wxl n GLY 769 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wxl n SER 770 N 3.89 1.92 -0.25 1.61 7.64 -1.26 -4.55 113.62 122.62 2wxl n SER 770 Ca 0.00 -0.13 0.14 0.00 1.01 0.00 0.00 58.87 59.89 2wxl n SER 770 Cb 0.00 0.64 0.59 0.00 -1.01 0.00 0.00 64.21 64.42 2wxl n SER 770 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxl n ALA 771 N -0.83 2.75 1.39 -0.43 0.00 -0.97 -2.86 120.51 119.56 2wxl n ALA 771 Ca 0.00 -0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.23 2wxl n ALA 771 Cb 0.00 -1.26 0.54 0.00 0.00 0.00 0.00 19.45 18.72 2wxl n ALA 771 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxl n GLY 772 N 1.21 -0.71 3.48 0.00 0.00 -1.20 -4.71 105.19 103.27 2wxl n GLY 772 Ca 0.17 -0.33 -0.43 0.00 0.00 0.00 0.00 46.02 45.43 2wxl n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxl s ASN 773 N -2.40 6.18 0.04 1.61 0.01 -1.14 -3.20 114.94 116.05 2wxl s ASN 773 Ca 0.29 -0.82 0.01 0.00 -0.71 0.00 0.00 52.86 51.63 2wxl s ASN 773 Cb 0.20 -2.45 -0.03 0.00 0.41 0.00 0.00 41.25 39.38 2wxl s ASN 773 CO 0.47 -1.52 -0.05 0.68 -1.51 0.00 0.00 177.10 175.16 2wxl s VAL 774 N 4.44 0.36 0.12 1.60 -7.23 -1.00 -4.98 120.40 113.71 2wxl s VAL 774 Ca 0.26 -1.26 0.09 0.00 -1.81 0.00 0.00 61.98 59.26 2wxl s VAL 774 Cb -0.15 -0.78 -0.04 0.00 0.56 0.00 0.00 36.38 35.98 2wxl s VAL 774 CO 0.12 -0.59 -0.21 -0.83 -0.31 0.00 0.00 175.10 173.28 2wxl s GLY 775 N -1.96 1.30 0.10 2.32 0.00 -1.26 -0.58 107.32 107.24 2wxl s GLY 775 Ca -0.06 -1.31 0.06 0.00 0.00 0.00 0.00 44.72 43.40 2wxl s GLY 775 CO -0.02 -1.32 -0.14 -0.26 0.00 0.00 0.00 173.10 171.35 2wxl s ILE 776 N -1.30 1.24 -0.16 0.90 -4.36 0.18 -1.87 121.20 115.83 2wxl s ILE 776 Ca 0.09 -1.54 -0.03 0.00 -0.26 0.00 0.00 60.65 58.90 2wxl s ILE 776 Cb -0.09 -1.34 -0.02 0.00 1.25 0.00 0.00 42.46 42.25 2wxl s ILE 776 CO 0.05 -0.33 -0.05 -0.63 0.24 0.00 0.00 174.94 174.21 2wxl s ILE 777 N -1.78 3.70 -0.23 8.37 1.01 0.86 -0.48 121.20 132.66 2wxl s ILE 777 Ca 0.04 -0.42 -0.09 0.00 0.00 0.00 0.00 60.65 60.18 2wxl s ILE 777 Cb -0.07 -2.61 -0.04 0.00 0.01 0.00 0.00 42.46 39.74 2wxl s ILE 777 CO 0.03 0.49 0.11 0.12 0.00 0.00 0.00 174.94 175.68 2wxl s PHE 778 N 0.46 3.22 -0.07 3.97 5.36 -0.50 -0.41 117.98 130.02 2wxl s PHE 778 Ca -0.05 -0.00 0.01 0.00 -0.96 0.00 0.00 56.93 55.94 2wxl s PHE 778 Cb -0.15 -2.20 0.02 0.00 -0.34 0.00 0.00 43.02 40.35 2wxl s PHE 778 CO 0.03 -0.03 -0.09 0.21 -1.46 0.00 0.00 175.22 173.88 2wxl s LYS 779 N 1.02 1.46 -0.07 10.12 2.20 -0.58 -0.47 119.74 133.43 2wxl s LYS 779 Ca 0.05 -0.31 0.01 0.00 -0.36 0.00 0.00 55.97 55.36 2wxl s LYS 779 Cb -0.14 -1.31 0.02 0.00 -1.51 0.00 0.00 37.83 34.89 2wxl s LYS 779 CO 0.04 -0.06 -0.07 1.21 -0.36 0.00 0.00 175.35 176.11 2wxl s ASN 780 N 0.94 1.48 0.00 1.43 2.47 -1.26 -1.92 114.94 118.08 2wxl s ASN 780 Ca -0.10 -0.20 0.00 0.00 0.42 0.00 0.00 52.86 52.98 2wxl s ASN 780 Cb -0.15 -0.62 0.00 0.00 -1.45 0.00 0.00 41.25 39.03 2wxl s ASN 780 CO 0.00 -0.06 0.00 0.61 -3.72 0.00 0.00 177.10 173.93 2wxl n GLY 781 N 4.29 1.28 3.50 1.21 0.00 -0.05 -4.81 105.19 110.60 2wxl n GLY 781 Ca -0.20 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.52 2wxl n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxl s ASP 782 N -0.81 4.02 -0.20 1.61 1.01 -1.24 -4.99 116.67 116.07 2wxl s ASP 782 Ca 0.00 -0.42 -0.29 0.00 0.71 0.00 0.00 52.55 52.55 2wxl s ASP 782 Cb 0.00 -0.68 -0.01 0.00 1.01 0.00 0.00 42.92 43.24 2wxl s ASP 782 CO 0.00 0.23 1.26 -0.62 0.21 0.00 0.00 175.17 176.24 2wxl s ASP 783 N -1.75 6.89 0.00 0.27 2.15 -1.26 -3.96 116.67 119.01 2wxl s ASP 783 Ca 0.17 1.57 0.26 0.00 0.43 0.00 0.00 52.55 54.97 2wxl s ASP 783 Cb -0.11 -2.54 0.61 0.00 -0.30 0.00 0.00 42.92 40.58 2wxl s ASP 783 CO 0.08 -0.83 1.48 0.18 -0.17 0.00 0.00 175.17 175.92 2wxl n LEU 784 N 6.82 1.68 -0.30 -1.34 4.77 -1.26 -4.53 117.00 122.84 2wxl n LEU 784 Ca 0.14 -0.55 -0.03 0.00 -0.03 0.00 0.00 56.01 55.55 2wxl n LEU 784 Cb 0.45 -0.04 0.09 0.00 -2.33 0.00 0.00 43.42 41.59 2wxl n LEU 784 CO 0.57 0.29 1.20 0.03 -1.33 0.00 0.00 177.39 178.16 2wxl h ARG 785 N 2.35 1.01 -0.53 3.23 3.08 -1.97 -0.31 114.38 121.23 2wxl h ARG 785 Ca 0.00 -0.06 -0.04 0.00 0.07 0.00 0.00 59.98 59.95 2wxl h ARG 785 Cb 0.63 -0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2wxl h ARG 785 CO 0.00 0.67 0.17 0.37 -1.07 0.00 0.00 179.97 180.11 2wxl h GLN 786 N 1.04 0.82 -0.62 0.04 4.15 -1.94 -1.29 115.11 117.31 2wxl h GLN 786 Ca 0.32 -0.18 -0.02 0.00 0.77 0.00 0.00 58.65 59.53 2wxl h GLN 786 Cb -0.03 -0.12 -0.03 0.00 0.21 0.00 0.00 27.48 27.51 2wxl h GLN 786 CO -0.10 0.76 0.29 -0.44 -1.93 0.00 0.00 178.83 177.41 2wxl h ASP 787 N 0.73 0.82 -0.39 -0.69 3.32 -1.61 -0.45 116.42 118.15 2wxl h ASP 787 Ca 0.17 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 57.08 2wxl h ASP 787 Cb 0.27 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.59 2wxl h ASP 787 CO -0.01 0.73 0.22 -0.03 -1.72 0.00 0.00 179.24 178.43 2wxl h MET 788 N 0.85 0.54 -0.20 3.56 4.05 -0.79 -0.67 114.93 122.27 2wxl h MET 788 Ca 0.21 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2wxl h MET 788 Cb 0.13 -0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 30.81 2wxl h MET 788 CO -0.03 0.43 0.13 1.25 0.23 0.00 0.00 176.91 178.92 2wxl h LEU 789 N 0.50 0.22 -0.03 3.39 5.85 -0.98 0.40 115.31 124.67 2wxl h LEU 789 Ca 0.14 -0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.86 2wxl h LEU 789 Cb 0.04 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 2wxl h LEU 789 CO -0.02 0.16 -0.04 0.74 -0.34 0.00 0.00 178.44 178.94 2wxl h THR 790 N 0.27 0.88 -0.90 1.05 2.02 -0.87 -0.56 112.91 114.79 2wxl h THR 790 Ca 0.07 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.27 2wxl h THR 790 Cb -0.03 0.88 -0.05 0.00 -1.74 0.00 0.00 68.15 67.21 2wxl h THR 790 CO -0.02 0.00 0.59 -0.07 0.37 0.00 0.00 175.52 176.39 2wxl h LEU 791 N -0.06 1.00 -0.75 2.58 3.38 -0.94 -1.71 115.31 118.81 2wxl h LEU 791 Ca 0.03 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2wxl h LEU 791 Cb 0.10 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.58 2wxl h LEU 791 CO -0.07 0.71 0.29 1.56 0.09 0.00 0.00 178.44 181.03 2wxl h GLN 792 N 1.18 1.12 -0.27 1.13 4.20 -0.58 0.30 115.11 122.19 2wxl h GLN 792 Ca 0.34 -0.21 -0.09 0.00 0.06 0.00 0.00 58.65 58.75 2wxl h GLN 792 Cb -0.08 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.51 2wxl h GLN 792 CO -0.09 0.92 -0.22 0.52 -0.67 0.00 0.00 178.83 179.28 2wxl h MET 793 N 1.08 0.50 -0.43 1.46 2.86 -0.86 -0.59 114.93 118.95 2wxl h MET 793 Ca 0.25 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.57 2wxl h MET 793 Cb 0.22 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2wxl h MET 793 CO -0.02 0.69 -0.26 0.82 1.06 0.00 0.00 176.91 179.20 2wxl h ILE 794 N 0.44 1.27 -0.72 -1.22 2.04 -1.07 -0.97 117.51 117.29 2wxl h ILE 794 Ca 0.07 -1.42 -0.03 0.00 1.00 0.00 0.00 64.86 64.48 2wxl h ILE 794 Cb 0.64 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.94 2wxl h ILE 794 CO 0.05 0.48 0.34 -0.61 0.00 0.00 0.00 178.15 178.41 2wxl h GLN 795 N 0.76 1.02 -0.43 2.37 4.15 -0.57 -1.19 115.11 121.22 2wxl h GLN 795 Ca 0.09 -0.14 -0.04 0.00 0.77 0.00 0.00 58.65 59.33 2wxl h GLN 795 Cb 0.84 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.32 2wxl h GLN 795 CO 0.07 0.79 0.10 1.25 -1.93 0.00 0.00 178.83 179.11 2wxl h LEU 796 N 1.01 0.66 -0.73 -2.39 5.85 -0.91 -1.66 115.31 117.15 2wxl h LEU 796 Ca 0.25 -0.23 0.11 0.00 0.84 0.00 0.00 57.88 58.84 2wxl h LEU 796 Cb 0.10 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 40.88 2wxl h LEU 796 CO -0.03 0.72 0.35 0.24 -0.34 0.00 0.00 178.44 179.38 2wxl h MET 797 N 0.57 0.55 -0.57 1.25 2.86 -0.48 -0.85 114.93 118.25 2wxl h MET 797 Ca 0.14 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.73 2wxl h MET 797 Cb 0.32 -0.12 -0.03 0.00 0.06 0.00 0.00 31.60 31.83 2wxl h MET 797 CO 0.00 0.36 0.29 0.22 1.06 0.00 0.00 176.91 178.85 2wxl h ASP 798 N 0.57 0.73 -0.09 1.22 3.58 -0.81 0.80 116.42 122.42 2wxl h ASP 798 Ca 0.37 -0.11 0.03 0.00 0.42 0.00 0.00 57.03 57.74 2wxl h ASP 798 Cb 0.44 -0.19 -0.03 0.00 1.72 0.00 0.00 39.33 41.28 2wxl h ASP 798 CO -0.30 0.64 -0.09 0.58 -2.88 0.00 0.00 179.24 177.18 2wxl h VAL 799 N 0.77 0.75 -0.73 2.25 2.07 -0.62 -0.18 116.25 120.54 2wxl h VAL 799 Ca 0.20 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.67 2wxl h VAL 799 Cb 0.09 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2wxl h VAL 799 CO -0.03 0.00 0.25 -0.07 0.02 0.00 0.00 177.57 177.75 2wxl h LEU 800 N -0.11 1.04 -0.05 2.57 3.38 -0.78 -0.28 115.31 121.09 2wxl h LEU 800 Ca 0.07 -0.18 -0.00 0.00 0.09 0.00 0.00 57.88 57.86 2wxl h LEU 800 Cb 0.20 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.68 2wxl h LEU 800 CO -0.16 0.95 0.02 -0.50 0.09 0.00 0.00 178.44 178.84 2wxl h TRP 801 N 1.08 0.08 -0.56 1.13 6.55 -0.69 -3.00 115.95 120.54 2wxl h TRP 801 Ca 0.24 -0.01 -0.00 0.00 0.95 0.00 0.00 58.89 60.07 2wxl h TRP 801 Cb 0.26 -0.02 -0.03 0.00 -0.86 0.00 0.00 29.16 28.51 2wxl h TRP 801 CO 0.02 0.21 0.33 0.87 -1.05 0.00 0.00 178.44 178.82 2wxl h LYS 802 N -0.08 0.75 0.00 0.49 1.57 -0.61 0.27 116.57 118.96 2wxl h LYS 802 Ca 0.02 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2wxl h LYS 802 Cb 0.17 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2wxl h LYS 802 CO -0.00 0.53 0.00 1.96 -0.57 0.00 0.00 179.45 181.37 2wxl h GLN 803 N 0.76 0.00 -0.47 3.15 4.20 -0.92 0.02 115.11 121.85 2wxl h GLN 803 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2wxl h GLN 803 Cb -0.02 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.76 2wxl h GLN 803 CO -0.04 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.51 2wxl n GLU 804 N -2.78 3.83 -1.61 1.46 -0.58 -0.15 -4.95 120.64 115.85 2wxl n GLU 804 Ca -0.01 -2.91 -0.08 0.00 -0.42 0.00 0.00 57.16 53.74 2wxl n GLU 804 Cb 0.13 -1.96 -0.02 0.00 -0.57 0.00 0.00 31.44 29.01 2wxl n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxl n GLY 805 N 0.37 0.59 3.15 0.62 0.00 -0.01 -5.01 105.19 104.90 2wxl n GLY 805 Ca 0.24 -0.64 -0.35 0.00 0.00 0.00 0.00 46.02 45.28 2wxl n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxl s LEU 806 N -1.98 4.12 -0.44 0.99 2.96 -0.10 -4.97 118.68 119.27 2wxl s LEU 806 Ca 0.00 -1.45 -0.09 0.00 -0.22 0.00 0.00 54.13 52.36 2wxl s LEU 806 Cb 0.00 -1.71 0.09 0.00 0.50 0.00 0.00 46.19 45.07 2wxl s LEU 806 CO 0.00 -0.30 0.29 -0.62 -1.32 0.00 0.00 176.35 174.40 2wxl s ASP 807 N 1.30 5.68 -0.02 3.68 -1.08 -1.26 -2.31 116.67 122.66 2wxl s ASP 807 Ca -0.02 -1.61 0.07 0.00 -0.52 0.00 0.00 52.55 50.47 2wxl s ASP 807 Cb -0.20 -2.00 0.24 0.00 -1.46 0.00 0.00 42.92 39.49 2wxl s ASP 807 CO -0.02 -0.59 1.11 0.18 0.52 0.00 0.00 175.17 176.37 2wxl n LEU 808 N 4.93 1.73 -3.60 -1.34 4.77 -1.26 -4.92 117.00 117.31 2wxl n LEU 808 Ca -0.10 -0.87 -0.21 0.00 -0.03 0.00 0.00 56.01 54.80 2wxl n LEU 808 Cb 0.42 -0.29 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 2wxl n LEU 808 CO 0.41 0.35 0.10 0.54 -1.33 0.00 0.00 177.39 177.45 2wxl n ARG 809 N 0.23 -6.37 -1.62 3.23 5.12 -1.26 -1.22 116.66 114.77 2wxl n ARG 809 Ca 0.09 0.75 -0.29 0.00 -1.93 0.00 0.00 57.85 56.47 2wxl n ARG 809 Cb 0.32 -5.65 0.12 0.00 -1.16 0.00 0.00 32.46 26.09 2wxl n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxl s MET 810 N -5.90 1.44 -0.59 5.56 -1.94 -1.26 -4.53 119.30 112.09 2wxl s MET 810 Ca 0.22 0.29 0.04 0.00 -1.71 0.00 0.00 55.69 54.54 2wxl s MET 810 Cb -0.10 -1.87 0.16 0.00 2.01 0.00 0.00 34.83 35.02 2wxl s MET 810 CO 0.76 -1.99 0.41 0.99 -0.01 0.00 0.00 175.02 175.18 2wxl s THR 811 N -3.33 2.07 -1.46 2.05 2.01 -1.26 -5.04 115.64 110.68 2wxl s THR 811 Ca 0.63 -3.60 -0.13 0.00 0.31 0.00 0.00 61.69 58.90 2wxl s THR 811 Cb -0.14 -2.38 0.04 0.00 0.01 0.00 0.00 72.50 70.02 2wxl s THR 811 CO 0.52 -1.03 2.30 -0.81 -0.69 0.00 0.00 174.62 174.92 2wxl n PRO 812 N 2.47 3.08 -1.82 4.92 -0.04 -1.26 -4.97 135.00 137.39 2wxl n PRO 812 Ca 0.20 -2.65 -0.31 0.00 -0.04 0.00 0.00 63.50 60.69 2wxl n PRO 812 Cb 0.38 -3.17 0.02 0.00 -0.04 0.00 0.00 33.50 30.69 2wxl n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxl s TYR 813 N 2.69 3.25 0.40 0.54 -0.85 -1.26 -5.02 117.35 117.10 2wxl s TYR 813 Ca 0.50 1.41 -0.24 0.00 -0.52 0.00 0.00 57.07 58.21 2wxl s TYR 813 Cb 0.14 -2.86 -0.09 0.00 0.38 0.00 0.00 41.96 39.54 2wxl s TYR 813 CO -0.08 -0.99 1.09 0.20 -1.52 0.00 0.00 175.55 174.25 2wxl s GLY 814 N -3.62 2.79 -0.09 5.49 0.00 -1.26 -4.89 107.32 105.74 2wxl s GLY 814 Ca 0.58 0.79 -0.04 0.00 0.00 0.00 0.00 44.72 46.05 2wxl s GLY 814 CO 0.49 1.25 0.20 0.00 0.00 0.00 0.00 173.10 175.04 2wxl s LEU 816 N 1.40 0.09 0.27 0.00 2.96 -0.15 -4.73 118.68 118.53 2wxl s LEU 816 Ca -0.07 -0.57 -0.30 0.00 -0.22 0.00 0.00 54.13 52.97 2wxl s LEU 816 Cb -0.11 0.12 -0.10 0.00 0.50 0.00 0.00 46.19 46.60 2wxl s LEU 816 CO -0.07 -0.36 1.48 -2.84 -1.32 0.00 0.00 176.35 173.24 2wxl s PRO 817 N 2.25 4.23 0.00 0.98 0.02 -1.26 -1.23 135.00 139.98 2wxl s PRO 817 Ca 0.06 2.38 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2wxl s PRO 817 Cb -0.16 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.28 2wxl s PRO 817 CO -0.18 -0.47 0.00 0.25 -0.33 0.00 0.00 177.00 176.27 2wxl n THR 818 N 2.19 0.00 -2.89 0.99 -2.24 0.16 -4.68 114.28 107.81 2wxl n THR 818 Ca 0.07 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2wxl n THR 818 Cb 0.39 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 2wxl n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxl n GLY 819 N 1.49 1.71 3.59 3.38 0.00 -1.07 -3.74 105.19 110.54 2wxl n GLY 819 Ca 0.00 -0.80 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2wxl n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxl s ASP 820 N 0.60 5.53 -1.55 1.61 -1.08 -1.26 -2.57 116.67 117.96 2wxl s ASP 820 Ca 0.00 1.26 -0.09 0.00 -0.52 0.00 0.00 52.55 53.20 2wxl s ASP 820 Cb 0.00 -2.52 0.07 0.00 -1.46 0.00 0.00 42.92 39.01 2wxl s ASP 820 CO 0.00 -2.00 0.59 0.54 0.52 0.00 0.00 175.17 174.82 2wxl n ARG 821 N 8.68 -3.23 -3.88 4.34 1.74 -1.26 -4.76 116.66 118.28 2wxl n ARG 821 Ca 0.26 0.38 -0.11 0.00 -0.77 0.00 0.00 57.85 57.61 2wxl n ARG 821 Cb 0.48 -4.78 -0.13 0.00 -1.02 0.00 0.00 32.46 27.01 2wxl n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxl s THR 822 N -3.65 0.03 -0.02 0.55 2.01 -1.06 -0.87 115.64 112.62 2wxl s THR 822 Ca 0.36 -0.22 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2wxl s THR 822 Cb -0.20 -0.11 0.02 0.00 0.01 0.00 0.00 72.50 72.22 2wxl s THR 822 CO 0.91 -0.12 0.30 0.61 -0.69 0.00 0.00 174.62 175.63 2wxl n GLY 823 N 2.69 0.33 3.37 4.40 0.00 -0.81 -0.67 105.19 114.50 2wxl n GLY 823 Ca -0.15 -0.85 -0.27 0.00 0.00 0.00 0.00 46.02 44.75 2wxl n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxl s LEU 824 N 0.00 2.35 -0.03 0.99 1.43 -0.36 -1.52 118.68 121.53 2wxl s LEU 824 Ca 0.07 -0.77 0.03 0.00 -1.03 0.00 0.00 54.13 52.44 2wxl s LEU 824 Cb -0.00 -1.11 -0.00 0.00 0.03 0.00 0.00 46.19 45.11 2wxl s LEU 824 CO -0.01 0.13 -0.12 -0.63 0.23 0.00 0.00 176.35 175.94 2wxl s ILE 825 N -1.29 1.05 0.15 -0.59 1.01 0.46 -0.97 121.20 121.01 2wxl s ILE 825 Ca 0.14 -0.51 -0.30 0.00 0.00 0.00 0.00 60.65 59.98 2wxl s ILE 825 Cb -0.09 -0.91 -0.07 0.00 0.01 0.00 0.00 42.46 41.40 2wxl s ILE 825 CO 0.06 0.31 1.07 -0.70 0.00 0.00 0.00 174.94 175.68 2wxl s GLU 826 N 0.09 4.61 -0.16 2.79 2.12 -0.18 -0.10 118.70 127.88 2wxl s GLU 826 Ca -0.03 1.64 -0.24 0.00 0.36 0.00 0.00 54.97 56.71 2wxl s GLU 826 Cb -0.09 -3.31 -0.02 0.00 0.26 0.00 0.00 34.13 30.96 2wxl s GLU 826 CO 0.01 0.09 0.75 0.08 -0.54 0.00 0.00 175.26 175.65 2wxl s VAL 827 N -0.05 4.95 -0.39 3.70 1.01 -0.78 -4.69 120.40 124.15 2wxl s VAL 827 Ca 0.49 1.48 -0.20 0.00 0.00 0.00 0.00 61.98 63.76 2wxl s VAL 827 Cb -0.27 -4.07 0.01 0.00 0.00 0.00 0.00 36.38 32.05 2wxl s VAL 827 CO 0.33 0.09 0.59 -0.69 0.00 0.00 0.00 175.10 175.42 2wxl s VAL 828 N 1.84 4.91 0.84 2.92 1.01 -1.26 -4.54 120.40 126.12 2wxl s VAL 828 Ca 0.36 0.29 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2wxl s VAL 828 Cb -0.17 -4.09 0.10 0.00 0.00 0.00 0.00 36.38 32.22 2wxl s VAL 828 CO 0.13 -0.40 1.12 -0.76 0.00 0.00 0.00 175.10 175.19 2wxl s LEU 829 N 2.63 2.35 -1.40 3.92 1.43 -1.26 -4.01 118.68 122.34 2wxl s LEU 829 Ca 0.21 1.12 -0.07 0.00 -1.03 0.00 0.00 54.13 54.37 2wxl s LEU 829 Cb -0.15 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.47 2wxl s LEU 829 CO 0.16 -2.20 0.93 1.41 0.23 0.00 0.00 176.35 176.88 2wxl n HIS 830 N -3.56 -2.46 -4.17 0.29 8.25 -1.26 -4.85 115.22 107.47 2wxl n HIS 830 Ca 0.07 0.80 -0.12 0.00 -0.26 0.00 0.00 57.72 58.20 2wxl n HIS 830 Cb 0.58 -4.74 -0.10 0.00 1.12 0.00 0.00 29.99 26.85 2wxl n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxl s SER 831 N -3.07 1.27 0.12 0.41 1.04 -1.26 -1.44 113.70 110.78 2wxl s SER 831 Ca 0.46 -0.89 -0.10 0.00 0.48 0.00 0.00 55.95 55.91 2wxl s SER 831 Cb -0.20 0.05 0.00 0.00 0.10 0.00 0.00 66.02 65.97 2wxl s SER 831 CO 0.57 -0.35 0.26 -0.62 0.98 0.00 0.00 173.24 174.07 2wxl s ASP 832 N -2.68 0.04 0.40 7.02 -1.08 -0.42 -4.95 116.67 114.99 2wxl s ASP 832 Ca 0.08 -0.67 -0.24 0.00 -0.52 0.00 0.00 52.55 51.19 2wxl s ASP 832 Cb 0.00 0.39 -0.09 0.00 -1.46 0.00 0.00 42.92 41.77 2wxl s ASP 832 CO -0.02 -0.80 1.08 0.42 0.52 0.00 0.00 175.17 176.36 2wxl s THR 833 N -3.89 3.58 0.24 1.71 -4.23 -1.26 -0.93 115.64 110.85 2wxl s THR 833 Ca 0.08 1.24 -0.07 0.00 -1.18 0.00 0.00 61.69 61.76 2wxl s THR 833 Cb 0.04 -3.66 0.24 0.00 1.34 0.00 0.00 72.50 70.46 2wxl s THR 833 CO -0.08 0.04 1.66 0.40 -0.54 0.00 0.00 174.62 176.10 2wxl h ILE 834 N 2.24 0.43 -0.98 2.99 1.08 -1.08 -1.67 117.51 120.52 2wxl h ILE 834 Ca -0.48 -0.05 0.02 0.00 -0.39 0.00 0.00 64.86 63.95 2wxl h ILE 834 Cb 1.22 0.26 -0.05 0.00 -3.07 0.00 0.00 36.82 35.18 2wxl h ILE 834 CO 0.62 0.03 0.65 0.00 -0.69 0.00 0.00 178.15 178.76 2wxl h ALA 835 N 1.64 1.32 -0.69 1.87 0.00 -0.49 0.12 119.26 123.04 2wxl h ALA 835 Ca 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2wxl h ALA 835 Cb 0.67 -0.38 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2wxl h ALA 835 CO -0.58 0.61 0.28 -0.97 0.00 0.00 0.00 179.25 178.59 2wxl h ASN 836 N 1.30 0.95 -0.74 0.00 -1.24 -1.60 0.49 115.58 114.74 2wxl h ASN 836 Ca 0.37 -0.17 -0.06 0.00 0.71 0.00 0.00 56.30 57.15 2wxl h ASN 836 Cb -0.10 -0.25 -0.03 0.00 0.73 0.00 0.00 38.32 38.67 2wxl h ASN 836 CO -0.09 0.86 0.22 0.40 -1.29 0.00 0.00 177.43 177.53 2wxl h ILE 837 N 0.98 1.26 -0.00 2.57 2.04 -0.83 -3.00 117.51 120.53 2wxl h ILE 837 Ca 0.23 -0.92 0.00 0.00 1.00 0.00 0.00 64.86 65.17 2wxl h ILE 837 Cb 0.21 0.45 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 2wxl h ILE 837 CO -0.02 0.36 -0.03 0.00 0.00 0.00 0.00 178.15 178.47 2wxl n GLN 838 N -4.25 0.41 0.09 2.37 6.02 0.39 -3.11 117.38 119.31 2wxl n GLN 838 Ca 0.06 -0.03 0.20 0.00 -0.01 0.00 0.00 57.00 57.22 2wxl n GLN 838 Cb 0.23 -1.50 0.75 0.00 1.02 0.00 0.00 30.24 30.74 2wxl n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxl h LEU 839 N 0.08 0.00 -1.83 1.08 3.38 -0.78 -3.46 115.31 113.79 2wxl h LEU 839 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 2wxl h LEU 839 Cb 0.32 0.00 0.07 0.00 0.09 0.00 0.00 40.66 41.14 2wxl h LEU 839 CO 0.00 0.00 -0.83 -3.20 0.09 0.00 0.00 178.44 174.50 2wxl n ASN 840 N -3.75 -1.45 -4.75 -0.43 5.15 -1.18 -4.92 115.26 103.93 2wxl n ASN 840 Ca 0.07 -0.81 -0.37 0.00 -0.60 0.00 0.00 54.58 52.87 2wxl n ASN 840 Cb 0.60 -4.15 0.04 0.00 -0.53 0.00 0.00 39.78 35.74 2wxl n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wxl s LYS 841 N -5.89 2.96 0.71 1.20 1.02 -1.26 -4.94 119.74 113.54 2wxl s LYS 841 Ca 0.02 2.06 -0.11 0.00 0.02 0.00 0.00 55.97 57.96 2wxl s LYS 841 Cb -0.01 -2.06 0.02 0.00 -0.52 0.00 0.00 37.83 35.26 2wxl s LYS 841 CO 0.80 -1.28 1.07 -1.54 -0.92 0.00 0.00 175.35 173.48 2wxl s SER 842 N -1.26 5.29 -1.20 2.83 1.04 -1.26 -4.21 113.70 114.92 2wxl s SER 842 Ca 0.76 1.51 -0.02 0.00 0.48 0.00 0.00 55.95 58.68 2wxl s SER 842 Cb -0.36 -2.37 -0.01 0.00 0.10 0.00 0.00 66.02 63.37 2wxl s SER 842 CO 0.41 -1.48 0.89 -3.20 0.98 0.00 0.00 173.24 170.84 2wxl n ASN 843 N -3.14 -2.73 -3.82 7.02 5.15 -1.26 -5.00 115.26 111.47 2wxl n ASN 843 Ca 0.07 -0.71 -0.12 0.00 -0.60 0.00 0.00 54.58 53.22 2wxl n ASN 843 Cb 0.54 -4.76 -0.09 0.00 -0.53 0.00 0.00 39.78 34.94 2wxl n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wxl s MET 844 N -5.40 0.60 0.21 1.20 -1.94 -1.26 -5.07 119.30 107.65 2wxl s MET 844 Ca 0.10 -0.38 -0.13 0.00 -1.71 0.00 0.00 55.69 53.57 2wxl s MET 844 Cb -0.02 0.26 0.25 0.00 2.01 0.00 0.00 34.83 37.33 2wxl s MET 844 CO 0.76 -0.16 1.62 0.00 -0.01 0.00 0.00 175.02 177.23 2wxl h ALA 845 N 3.92 0.45 0.00 3.03 0.00 -1.94 -2.87 119.26 121.84 2wxl h ALA 845 Ca -0.31 0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2wxl h ALA 845 Cb 1.19 0.49 0.00 0.00 0.00 0.00 0.00 17.79 19.47 2wxl h ALA 845 CO 0.42 -0.42 0.00 0.00 0.00 0.00 0.00 179.25 179.25 2wxl n ALA 846 N -3.08 2.61 -2.00 0.00 0.00 -1.26 -4.91 120.51 111.86 2wxl n ALA 846 Ca 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.11 2wxl n ALA 846 Cb 0.34 -1.00 -0.03 0.00 0.00 0.00 0.00 19.45 18.76 2wxl n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wxl s THR 847 N 0.05 3.42 -0.01 0.00 2.01 -1.09 -4.66 115.64 115.36 2wxl s THR 847 Ca 0.00 0.38 -0.00 0.00 0.31 0.00 0.00 61.69 62.37 2wxl s THR 847 Cb 0.00 -3.74 -0.04 0.00 0.01 0.00 0.00 72.50 68.73 2wxl s THR 847 CO 0.00 -0.58 0.06 0.00 -0.69 0.00 0.00 174.62 173.41 2wxl s ALA 848 N 7.88 3.50 0.18 7.40 0.00 -1.26 -5.00 121.76 134.46 2wxl s ALA 848 Ca 0.75 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.83 2wxl s ALA 848 Cb -0.18 -1.52 0.07 0.00 0.00 0.00 0.00 23.12 21.48 2wxl s ALA 848 CO 0.29 0.67 1.44 0.00 0.00 0.00 0.00 175.76 178.15 2wxl h ALA 849 N 4.26 0.61 -3.76 0.00 0.00 -1.96 -3.44 119.26 114.97 2wxl h ALA 849 Ca -0.49 -0.62 -0.49 0.00 0.00 0.00 0.00 54.91 53.30 2wxl h ALA 849 Cb 1.18 -0.06 -0.32 0.00 0.00 0.00 0.00 17.79 18.59 2wxl h ALA 849 CO 0.60 0.78 -0.81 -0.06 0.00 0.00 0.00 179.25 179.77 2wxl s PHE 850 N -3.55 1.31 0.38 0.00 0.08 -1.26 -5.04 117.98 109.89 2wxl s PHE 850 Ca -0.05 -0.38 0.18 0.00 0.12 0.00 0.00 56.93 56.80 2wxl s PHE 850 Cb 0.11 -0.92 1.12 0.00 -0.57 0.00 0.00 43.02 42.76 2wxl s PHE 850 CO 0.83 -0.16 1.72 -0.97 -0.10 0.00 0.00 175.22 176.54 2wxl h ASN 851 N 6.48 0.46 -0.40 1.36 -1.24 -1.98 0.00 115.58 120.26 2wxl h ASN 851 Ca -0.33 0.12 0.12 0.00 0.71 0.00 0.00 56.30 56.92 2wxl h ASN 851 Cb 1.17 0.05 -0.02 0.00 0.73 0.00 0.00 38.32 40.26 2wxl h ASN 851 CO 0.48 0.01 0.38 0.07 -1.29 0.00 0.00 177.43 177.08 2wxl h LYS 852 N 0.36 0.00 -0.01 6.67 2.10 -1.99 -1.00 116.57 122.70 2wxl h LYS 852 Ca 0.66 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.31 2wxl h LYS 852 Cb 1.67 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.00 2wxl h LYS 852 CO -0.40 0.00 -0.14 -0.25 -2.00 0.00 0.00 179.45 176.66 2wxl n ASP 853 N -3.90 0.83 -0.05 7.07 8.00 -0.01 -4.33 116.55 124.15 2wxl n ASP 853 Ca 0.07 -0.87 -0.10 0.00 0.71 0.00 0.00 54.79 54.61 2wxl n ASP 853 Cb 0.56 0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.65 2wxl n ASP 853 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wxl h ALA 854 N 3.78 0.28 -0.10 2.24 0.00 -1.29 0.16 119.26 124.34 2wxl h ALA 854 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2wxl h ALA 854 Cb 0.42 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 2wxl h ALA 854 CO 0.00 -0.25 -0.01 -0.07 0.00 0.00 0.00 179.25 178.92 2wxl h LEU 855 N 0.29 0.18 -0.34 0.00 3.38 -1.79 -0.83 115.31 116.21 2wxl h LEU 855 Ca 0.09 -0.34 0.07 0.00 0.09 0.00 0.00 57.88 57.78 2wxl h LEU 855 Cb -0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 40.62 2wxl h LEU 855 CO -0.03 0.48 -0.10 0.25 0.09 0.00 0.00 178.44 179.13 2wxl h LEU 856 N -0.12 -0.35 -0.70 1.67 5.85 -1.78 1.00 115.31 120.88 2wxl h LEU 856 Ca 0.03 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.89 2wxl h LEU 856 Cb 0.39 0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.60 2wxl h LEU 856 CO 0.01 -0.12 0.42 0.78 -0.34 0.00 0.00 178.44 179.18 2wxl h ASN 857 N -0.02 0.67 -0.45 1.25 4.21 -0.93 0.63 115.58 120.94 2wxl h ASN 857 Ca 0.16 0.01 0.01 0.00 1.21 0.00 0.00 56.30 57.69 2wxl h ASN 857 Cb 0.27 -0.13 -0.02 0.00 -1.12 0.00 0.00 38.32 37.32 2wxl h ASN 857 CO -0.36 0.45 0.30 -0.25 -1.29 0.00 0.00 177.43 176.27 2wxl h TRP 858 N 0.80 0.56 -0.80 1.19 7.01 -0.31 -1.84 115.95 122.56 2wxl h TRP 858 Ca 0.29 0.01 -0.03 0.00 2.11 0.00 0.00 58.89 61.27 2wxl h TRP 858 Cb 0.09 -0.19 -0.04 0.00 -2.10 0.00 0.00 29.16 26.93 2wxl h TRP 858 CO -0.05 0.35 0.38 -0.07 -2.79 0.00 0.00 178.44 176.25 2wxl h LEU 859 N 0.60 1.06 -0.85 0.65 3.38 -0.22 -2.53 115.31 117.41 2wxl h LEU 859 Ca 0.17 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.01 2wxl h LEU 859 Cb -0.06 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.37 2wxl h LEU 859 CO -0.04 0.90 0.56 0.11 0.09 0.00 0.00 178.44 180.06 2wxl h LYS 860 N 1.14 1.11 -0.03 1.13 1.57 -0.61 -0.69 116.57 120.20 2wxl h LYS 860 Ca 0.27 -0.07 -0.12 0.00 -1.87 0.00 0.00 60.65 58.87 2wxl h LYS 860 Cb 0.13 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 2wxl h LYS 860 CO -0.03 0.73 -0.53 0.66 -0.57 0.00 0.00 179.45 179.71 2wxl h SER 861 N 1.14 0.08 1.48 0.86 4.64 -0.95 -2.63 113.55 118.16 2wxl h SER 861 Ca 0.31 -0.04 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2wxl h SER 861 Cb -0.12 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 61.94 2wxl h SER 861 CO -0.07 0.59 -0.35 0.11 -0.87 0.00 0.00 176.83 176.24 2wxl h LYS 862 N 0.06 0.00 -2.05 4.77 1.79 -1.22 -3.40 116.57 116.52 2wxl h LYS 862 Ca -0.00 0.00 -0.55 0.00 -2.18 0.00 0.00 60.65 57.91 2wxl h LYS 862 Cb 0.95 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.20 2wxl h LYS 862 CO 0.07 0.00 -1.01 0.09 -1.08 0.00 0.00 179.45 177.52 2wxl n ASN 863 N -2.69 1.14 -4.75 0.86 3.02 -0.29 -4.99 115.26 107.56 2wxl n ASN 863 Ca 0.03 -2.93 -0.35 0.00 -0.03 0.00 0.00 54.58 51.30 2wxl n ASN 863 Cb 0.50 -0.64 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 2wxl n ASN 863 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wxl s PRO 864 N -1.74 2.73 5.45 3.52 0.04 -1.11 -2.37 135.00 141.52 2wxl s PRO 864 Ca 0.37 1.79 0.00 0.00 0.04 0.00 0.00 61.00 63.21 2wxl s PRO 864 Cb 0.20 -1.90 0.00 0.00 0.04 0.00 0.00 34.50 32.84 2wxl s PRO 864 CO -0.09 -1.39 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2wxl n GLY 865 N 0.42 2.42 0.29 0.56 0.00 -1.26 -2.62 105.19 105.00 2wxl n GLY 865 Ca 0.13 -0.46 0.23 0.00 0.00 0.00 0.00 46.02 45.93 2wxl n GLY 865 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wxl n GLU 866 N 11.06 -0.06 0.27 1.61 1.02 -1.26 -1.59 120.64 131.69 2wxl n GLU 866 Ca 0.00 1.25 0.14 0.00 -0.02 0.00 0.00 57.16 58.53 2wxl n GLU 866 Cb 0.00 -2.15 0.84 0.00 -0.02 0.00 0.00 31.44 30.11 2wxl n GLU 866 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxl h ALA 867 N 1.76 1.70 -0.69 0.62 0.00 -1.72 -2.93 119.26 118.00 2wxl h ALA 867 Ca 0.68 -0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.62 2wxl h ALA 867 Cb 1.69 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 2wxl h ALA 867 CO -0.73 -0.07 0.42 1.25 0.00 0.00 0.00 179.25 180.13 2wxl h LEU 868 N 0.00 0.68 -0.51 0.00 5.85 -0.91 -2.55 115.31 117.87 2wxl h LEU 868 Ca 0.02 0.00 0.06 0.00 0.84 0.00 0.00 57.88 58.81 2wxl h LEU 868 Cb 0.11 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 2wxl h LEU 868 CO -0.00 0.47 0.22 0.44 -0.34 0.00 0.00 178.44 179.23 2wxl h ASP 869 N 0.82 0.27 -0.12 1.25 3.32 -1.73 -0.49 116.42 119.74 2wxl h ASP 869 Ca 0.28 0.05 -0.10 0.00 0.02 0.00 0.00 57.03 57.28 2wxl h ASP 869 Cb 0.05 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 39.59 2wxl h ASP 869 CO -0.12 0.19 -0.23 -0.09 -1.72 0.00 0.00 179.24 177.27 2wxl h ARG 870 N 0.42 0.56 -0.41 3.56 9.65 -1.70 -1.79 114.38 124.67 2wxl h ARG 870 Ca 0.24 -0.21 -0.03 0.00 -1.10 0.00 0.00 59.98 58.88 2wxl h ARG 870 Cb 0.21 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 28.74 2wxl h ARG 870 CO -0.21 0.75 0.15 0.00 2.80 0.00 0.00 179.97 183.46 2wxl h ALA 871 N 1.26 0.53 -0.93 2.80 0.00 -0.91 0.12 119.26 122.13 2wxl h ALA 871 Ca 0.07 -0.15 0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wxl h ALA 871 Cb 0.66 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2wxl h ALA 871 CO 0.05 0.15 0.61 0.82 0.00 0.00 0.00 179.25 180.88 2wxl h ILE 872 N 0.52 1.16 -0.50 0.00 2.04 -0.98 -0.62 117.51 119.12 2wxl h ILE 872 Ca 0.14 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.57 2wxl h ILE 872 Cb 0.21 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.14 2wxl h ILE 872 CO -0.01 0.22 0.23 -0.08 0.00 0.00 0.00 178.15 178.50 2wxl h GLU 873 N 1.18 0.73 -0.75 2.37 4.57 -0.68 -0.97 114.58 121.04 2wxl h GLU 873 Ca 0.37 -0.12 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 2wxl h GLU 873 Cb -0.01 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 28.42 2wxl h GLU 873 CO -0.12 0.63 0.40 0.93 -1.18 0.00 0.00 179.01 179.67 2wxl h GLU 874 N 0.67 1.05 -0.51 1.92 4.39 -0.41 -1.04 114.58 120.65 2wxl h GLU 874 Ca 0.17 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 2wxl h GLU 874 Cb 0.15 -0.20 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 2wxl h GLU 874 CO -0.02 0.79 0.22 0.35 -1.16 0.00 0.00 179.01 179.19 2wxl h PHE 875 N 1.04 0.77 -0.02 4.33 3.57 -0.93 -2.15 116.94 123.55 2wxl h PHE 875 Ca 0.26 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 2wxl h PHE 875 Cb 0.05 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.56 2wxl h PHE 875 CO 0.00 0.63 0.01 1.15 -2.23 0.00 0.00 178.31 177.87 2wxl h THR 876 N 0.69 1.17 0.38 4.41 2.02 -0.91 -0.06 112.91 120.61 2wxl h THR 876 Ca 0.17 -0.50 -0.00 0.00 0.77 0.00 0.00 66.41 66.85 2wxl h THR 876 Cb 0.18 1.46 -0.02 0.00 -1.74 0.00 0.00 68.15 68.03 2wxl h THR 876 CO -0.02 0.13 -0.37 -0.07 0.37 0.00 0.00 175.52 175.57 2wxl h LEU 877 N -0.16 -1.00 -0.74 2.58 3.38 -1.22 -1.47 115.31 116.68 2wxl h LEU 877 Ca 0.01 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2wxl h LEU 877 Cb 0.21 0.34 -0.04 0.00 0.09 0.00 0.00 40.66 41.26 2wxl h LEU 877 CO -0.00 -0.52 0.45 0.77 0.09 0.00 0.00 178.44 179.23 2wxl h SER 878 N -0.78 0.88 -0.90 -0.43 4.64 -0.46 -1.41 113.55 115.10 2wxl h SER 878 Ca -0.03 -0.06 0.07 0.00 -0.47 0.00 0.00 61.79 61.30 2wxl h SER 878 Cb 0.69 -0.22 -0.07 0.00 -0.31 0.00 0.00 62.40 62.50 2wxl h SER 878 CO -0.06 0.68 0.56 0.00 -0.87 0.00 0.00 176.83 177.14 2wxl h ALA 880 N 1.43 0.42 0.04 0.00 0.00 -0.61 -0.55 119.26 120.00 2wxl h ALA 880 Ca 0.40 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.29 2wxl h ALA 880 Cb 0.21 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2wxl h ALA 880 CO -0.19 -0.11 -0.10 0.78 0.00 0.00 0.00 179.25 179.64 2wxl h GLY 881 N 0.44 -0.15 1.57 0.00 0.00 -0.37 -1.61 103.07 102.96 2wxl h GLY 881 Ca 0.12 0.11 -0.17 0.00 0.00 0.00 0.00 47.33 47.39 2wxl h GLY 881 CO -0.03 -0.10 -0.65 -0.97 0.00 0.00 0.00 176.54 174.79 2wxl h TYR 882 N -0.19 0.56 -0.82 5.60 0.05 -0.51 -0.28 116.97 121.38 2wxl h TYR 882 Ca 0.02 -0.23 -0.02 0.00 0.05 0.00 0.00 58.73 58.55 2wxl h TYR 882 Cb 0.21 -0.10 -0.04 0.00 1.01 0.00 0.00 36.73 37.82 2wxl h TYR 882 CO -0.14 0.96 0.43 0.00 -1.05 0.00 0.00 178.16 178.36 2wxl h VAL 884 N 1.15 1.39 -0.24 0.00 2.07 -1.06 -2.87 116.25 116.69 2wxl h VAL 884 Ca 0.29 -1.53 0.01 0.00 0.82 0.00 0.00 66.70 66.29 2wxl h VAL 884 Cb 0.06 2.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.91 2wxl h VAL 884 CO -0.04 0.45 0.13 0.00 0.02 0.00 0.00 177.57 178.12 2wxl h ALA 885 N 0.52 0.29 -0.07 1.67 0.00 -0.89 0.40 119.26 121.17 2wxl h ALA 885 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 2wxl h ALA 885 Cb 0.84 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2wxl h ALA 885 CO 0.05 -0.27 -0.58 1.79 0.00 0.00 0.00 179.25 180.25 2wxl h THR 886 N 0.27 1.38 0.07 0.00 1.35 -1.19 -1.06 112.91 113.73 2wxl h THR 886 Ca 0.10 -1.92 -0.00 0.00 -0.55 0.00 0.00 66.41 64.03 2wxl h THR 886 Cb 0.01 1.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 2wxl h THR 886 CO -0.06 0.57 -0.03 0.22 -0.25 0.00 0.00 175.52 175.97 2wxl h TYR 887 N 0.18 -0.08 -0.87 4.73 3.20 -1.35 0.24 116.97 123.02 2wxl h TYR 887 Ca -0.00 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.88 2wxl h TYR 887 Cb 1.07 0.03 -0.05 0.00 1.54 0.00 0.00 36.73 39.32 2wxl h TYR 887 CO 0.02 0.15 0.58 0.28 -1.64 0.00 0.00 178.16 177.55 2wxl h VAL 888 N -0.31 1.20 -0.01 1.81 2.07 -0.72 -2.58 116.25 117.70 2wxl h VAL 888 Ca -0.01 -0.40 0.00 0.00 0.82 0.00 0.00 66.70 67.11 2wxl h VAL 888 Cb 0.27 -0.06 0.00 0.00 -1.52 0.00 0.00 31.29 29.98 2wxl h VAL 888 CO 0.02 0.21 -0.02 0.18 0.02 0.00 0.00 177.57 177.97 2wxl n LEU 889 N -4.50 1.50 -3.00 2.57 4.77 -0.42 -4.72 117.00 113.20 2wxl n LEU 889 Ca 0.10 -0.49 -0.20 0.00 -0.03 0.00 0.00 56.01 55.39 2wxl n LEU 889 Cb 0.04 -0.01 0.06 0.00 -2.33 0.00 0.00 43.42 41.18 2wxl n LEU 889 CO 0.36 0.25 0.18 0.61 -1.33 0.00 0.00 177.39 177.46 2wxl n GLY 890 N 1.20 -0.29 3.55 -0.72 0.00 -0.45 0.71 105.19 109.18 2wxl n GLY 890 Ca 0.18 0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2wxl n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxl s ILE 891 N -3.24 4.56 0.03 -0.61 1.01 0.73 -2.30 121.20 121.38 2wxl s ILE 891 Ca 0.46 0.51 0.00 0.00 0.00 0.00 0.00 60.65 61.62 2wxl s ILE 891 Cb -0.20 -4.38 0.00 0.00 0.01 0.00 0.00 42.46 37.89 2wxl s ILE 891 CO 0.57 -0.80 0.03 0.61 0.00 0.00 0.00 174.94 175.35 2wxl n GLY 892 N 4.98 2.17 3.42 6.18 0.00 -1.26 -4.71 105.19 115.97 2wxl n GLY 892 Ca 0.03 -2.14 -0.24 0.00 0.00 0.00 0.00 46.02 43.67 2wxl n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxl n ASP 893 N -2.76 -6.04 -4.70 1.61 2.03 -1.26 -4.86 116.55 100.57 2wxl n ASP 893 Ca 0.01 -0.47 -0.40 0.00 0.52 0.00 0.00 54.79 54.45 2wxl n ASP 893 Cb 0.03 -4.81 -0.05 0.00 -0.72 0.00 0.00 41.12 35.57 2wxl n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxl s ARG 894 N -6.12 4.38 0.37 -0.67 1.81 -1.26 -4.97 118.95 112.49 2wxl s ARG 894 Ca 0.49 0.89 -0.04 0.00 -1.72 0.00 0.00 55.73 55.34 2wxl s ARG 894 Cb -0.22 -3.49 0.02 0.00 -0.45 0.00 0.00 34.95 30.81 2wxl s ARG 894 CO 0.60 -0.06 0.56 -3.38 -0.68 0.00 0.00 175.30 172.34 2wxl s HIS 895 N 1.24 0.91 -0.36 -0.53 -3.43 -1.26 -5.05 115.29 106.81 2wxl s HIS 895 Ca 0.37 -1.24 0.23 0.00 -0.80 0.00 0.00 55.06 53.62 2wxl s HIS 895 Cb -0.17 0.12 1.06 0.00 -1.43 0.00 0.00 32.58 32.16 2wxl s HIS 895 CO 0.16 -1.28 1.69 -1.13 -2.00 0.00 0.00 174.74 172.19 2wxl n SER 896 N -1.57 0.63 0.09 7.38 3.41 -1.26 -1.31 113.62 120.99 2wxl n SER 896 Ca -0.01 0.71 0.12 0.00 -0.26 0.00 0.00 58.87 59.42 2wxl n SER 896 Cb 0.61 -0.82 0.13 0.00 -0.26 0.00 0.00 64.21 63.87 2wxl n SER 896 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wxl h ASP 897 N 0.00 0.00 -0.00 4.04 3.45 -1.96 0.39 116.42 122.34 2wxl h ASP 897 Ca 0.00 -0.13 0.00 0.00 0.43 0.00 0.00 57.03 57.33 2wxl h ASP 897 Cb 0.22 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.99 2wxl h ASP 897 CO 0.00 0.07 0.00 -0.46 -1.57 0.00 0.00 179.24 177.28 2wxl n ASN 898 N -2.35 2.19 -4.34 6.45 2.04 -0.42 -4.95 115.26 113.87 2wxl n ASN 898 Ca 0.02 -2.56 -0.33 0.00 -0.44 0.00 0.00 54.58 51.28 2wxl n ASN 898 Cb 0.48 -0.22 -0.15 0.00 -2.53 0.00 0.00 39.78 37.36 2wxl n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxl s ILE 899 N -1.97 2.83 0.25 1.53 1.01 -0.98 -0.51 121.20 123.36 2wxl s ILE 899 Ca 0.17 -0.74 0.12 0.00 0.00 0.00 0.00 60.65 60.19 2wxl s ILE 899 Cb 0.15 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.40 2wxl s ILE 899 CO 0.02 0.53 -0.19 -0.04 0.00 0.00 0.00 174.94 175.26 2wxl s MET 900 N 0.31 1.69 -0.02 2.79 -1.94 0.21 -1.34 119.30 121.01 2wxl s MET 900 Ca -0.12 -1.65 0.04 0.00 -1.71 0.00 0.00 55.69 52.25 2wxl s MET 900 Cb -0.16 -1.84 -0.00 0.00 2.01 0.00 0.00 34.83 34.83 2wxl s MET 900 CO 0.06 0.36 -0.13 -1.50 -0.01 0.00 0.00 175.02 173.80 2wxl s ILE 901 N -2.21 1.04 0.45 2.53 2.07 -0.11 -1.07 121.20 123.92 2wxl s ILE 901 Ca 0.27 -0.53 -0.10 0.00 -1.41 0.00 0.00 60.65 58.88 2wxl s ILE 901 Cb -0.06 -0.89 -0.06 0.00 0.13 0.00 0.00 42.46 41.58 2wxl s ILE 901 CO 0.14 0.30 0.82 -0.13 -1.91 0.00 0.00 174.94 174.16 2wxl s ARG 902 N -0.07 3.71 0.63 3.50 0.52 0.78 -1.30 118.95 126.72 2wxl s ARG 902 Ca 0.01 0.46 0.41 0.00 -0.52 0.00 0.00 55.73 56.08 2wxl s ARG 902 Cb -0.08 -2.34 2.08 0.00 0.52 0.00 0.00 34.95 35.14 2wxl s ARG 902 CO 0.00 -0.15 2.25 0.93 0.02 0.00 0.00 175.30 178.35 2wxl h GLU 903 N 0.81 0.00 0.00 3.54 5.08 -1.57 0.22 114.58 122.66 2wxl h GLU 903 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wxl h GLU 903 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 2wxl h GLU 903 CO 0.63 0.00 0.00 0.66 -1.00 0.00 0.00 179.01 179.30 2wxl h SER 904 N 0.00 0.00 0.00 1.42 4.64 -1.93 -3.44 113.55 114.23 2wxl h SER 904 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wxl h SER 904 Cb 0.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2wxl h SER 904 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wxl n GLY 905 N -0.07 2.39 3.68 -0.77 0.00 0.77 -4.30 105.19 106.88 2wxl n GLY 905 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wxl n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxl s GLN 906 N -0.57 4.20 0.12 1.61 -0.21 -1.25 -2.88 119.66 120.69 2wxl s GLN 906 Ca 0.00 2.27 -0.11 0.00 0.02 0.00 0.00 55.36 57.54 2wxl s GLN 906 Cb 0.00 -3.71 -0.06 0.00 1.00 0.00 0.00 33.01 30.23 2wxl s GLN 906 CO 0.00 -0.75 0.47 -1.17 -2.12 0.00 0.00 175.29 171.72 2wxl s LEU 907 N 3.02 4.32 0.31 2.90 0.20 -1.26 -0.15 118.68 128.02 2wxl s LEU 907 Ca 0.73 0.89 -0.09 0.00 0.69 0.00 0.00 54.13 56.36 2wxl s LEU 907 Cb -0.37 -3.18 0.01 0.00 -0.43 0.00 0.00 46.19 42.21 2wxl s LEU 907 CO 0.31 0.11 0.52 0.72 -0.29 0.00 0.00 176.35 177.73 2wxl s PHE 908 N -1.49 0.63 0.18 5.38 -0.12 -0.23 -4.69 117.98 117.64 2wxl s PHE 908 Ca 0.37 -0.98 0.09 0.00 -0.05 0.00 0.00 56.93 56.36 2wxl s PHE 908 Cb -0.14 0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.37 2wxl s PHE 908 CO 0.19 -1.14 -0.13 -1.01 -0.05 0.00 0.00 175.22 173.08 2wxl s HIS 909 N -3.35 2.55 0.27 3.49 3.76 -1.26 -0.62 115.29 120.13 2wxl s HIS 909 Ca 0.25 -0.25 0.03 0.00 -0.15 0.00 0.00 55.06 54.94 2wxl s HIS 909 Cb -0.01 -1.25 -0.06 0.00 1.11 0.00 0.00 32.58 32.37 2wxl s HIS 909 CO 0.14 0.51 0.03 0.96 -0.85 0.00 0.00 174.74 175.53 2wxl s ILE 910 N -1.68 1.02 -0.89 0.60 -4.36 0.33 -4.93 121.20 111.29 2wxl s ILE 910 Ca 0.24 -2.02 -0.06 0.00 -0.26 0.00 0.00 60.65 58.55 2wxl s ILE 910 Cb -0.09 -2.55 -0.01 0.00 1.25 0.00 0.00 42.46 41.06 2wxl s ILE 910 CO 0.14 -0.16 0.71 -0.67 0.24 0.00 0.00 174.94 175.21 2wxl n ASP 911 N -0.52 -6.27 -4.49 4.36 4.64 -1.26 -4.76 116.55 108.25 2wxl n ASP 911 Ca -0.03 -0.61 -0.43 0.00 -1.38 0.00 0.00 54.79 52.34 2wxl n ASP 911 Cb 0.65 -3.80 -0.03 0.00 -1.04 0.00 0.00 41.12 36.90 2wxl n ASP 911 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 2wxl s PHE 912 N -3.15 2.75 -0.06 -0.67 0.40 -1.26 -4.85 117.98 111.14 2wxl s PHE 912 Ca 0.16 -0.85 0.16 0.00 -0.60 0.00 0.00 56.93 55.80 2wxl s PHE 912 Cb -0.05 -4.41 0.22 0.00 0.51 0.00 0.00 43.02 39.28 2wxl s PHE 912 CO 0.82 -1.70 1.51 0.78 0.70 0.00 0.00 175.22 177.33 2wxl h GLY 913 N 11.52 0.00 -4.74 4.36 0.00 -1.92 -3.40 103.07 108.89 2wxl h GLY 913 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.00 2wxl h GLY 913 CO 1.22 0.00 -0.74 0.30 0.00 0.00 0.00 176.54 177.32 2wxl s HIS 914 N -3.11 0.77 0.33 5.60 3.76 -1.26 -5.04 115.29 116.33 2wxl s HIS 914 Ca 0.03 -0.47 -0.07 0.00 -0.15 0.00 0.00 55.06 54.39 2wxl s HIS 914 Cb 0.08 -0.45 0.01 0.00 1.11 0.00 0.00 32.58 33.33 2wxl s HIS 914 CO 0.73 -0.05 0.53 -0.59 -0.85 0.00 0.00 174.74 174.51 2wxl s PHE 915 N -1.30 0.74 -1.57 1.40 -0.12 -1.26 -4.44 117.98 111.43 2wxl s PHE 915 Ca -0.08 -1.08 -0.16 0.00 -0.05 0.00 0.00 56.93 55.55 2wxl s PHE 915 Cb -0.10 0.14 0.14 0.00 -0.63 0.00 0.00 43.02 42.57 2wxl s PHE 915 CO 0.01 -1.18 0.71 1.28 -0.05 0.00 0.00 175.22 175.99 2wxl n LEU 916 N -0.52 -1.60 -0.10 -1.99 4.77 0.22 -2.12 117.00 115.67 2wxl n LEU 916 Ca -0.01 -0.84 -0.01 0.00 -0.03 0.00 0.00 56.01 55.11 2wxl n LEU 916 Cb 0.61 -2.05 -0.01 0.00 -2.33 0.00 0.00 43.42 39.65 2wxl n LEU 916 CO 0.28 0.25 -0.01 0.61 -1.33 0.00 0.00 177.39 177.18 2wxl n GLY 917 N -1.31 0.40 3.42 -0.72 0.00 -0.97 -4.90 105.19 101.11 2wxl n GLY 917 Ca 0.06 -0.09 -0.45 0.00 0.00 0.00 0.00 46.02 45.55 2wxl n GLY 917 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxl s ASN 918 N -2.13 6.57 -1.25 1.61 0.02 -0.90 -4.36 114.94 114.50 2wxl s ASN 918 Ca 0.00 -2.02 -0.15 0.00 -1.02 0.00 0.00 52.86 49.67 2wxl s ASN 918 Cb 0.00 -2.35 0.00 0.00 0.02 0.00 0.00 41.25 38.92 2wxl s ASN 918 CO 0.00 -1.00 0.64 0.49 0.02 0.00 0.00 177.10 177.25 2wxl n PHE 919 N 6.09 -1.75 -1.54 2.20 3.01 -1.26 -4.03 117.46 120.19 2wxl n PHE 919 Ca 0.16 0.51 -0.19 0.00 1.01 0.00 0.00 57.45 58.94 2wxl n PHE 919 Cb 0.48 -3.47 -0.12 0.00 -0.01 0.00 0.00 39.48 36.35 2wxl n PHE 919 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2wxl n ARG 929 N -4.37 0.38 -2.44 -1.08 3.00 -1.26 -4.48 116.66 106.41 2wxl n ARG 929 Ca -0.18 -0.48 -0.42 0.00 -0.00 0.00 0.00 57.85 56.77 2wxl n ARG 929 Cb 0.62 -2.70 -0.03 0.00 0.00 0.00 0.00 32.46 30.35 2wxl n ARG 929 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wxl s VAL 930 N 9.56 4.09 0.82 5.15 0.11 -1.26 -5.02 120.40 133.84 2wxl s VAL 930 Ca 1.08 1.50 -0.11 0.00 -2.93 0.00 0.00 61.98 61.52 2wxl s VAL 930 Cb -0.42 -3.96 0.08 0.00 -1.53 0.00 0.00 36.38 30.56 2wxl s VAL 930 CO 0.27 0.11 1.09 -2.16 -3.33 0.00 0.00 175.10 171.08 2wxl s PRO 931 N 1.11 1.91 0.23 1.54 0.04 -1.26 -4.96 135.00 133.62 2wxl s PRO 931 Ca 0.58 0.94 -0.30 0.00 0.04 0.00 0.00 61.00 62.26 2wxl s PRO 931 Cb -0.29 -1.87 -0.10 0.00 0.04 0.00 0.00 34.50 32.28 2wxl s PRO 931 CO 0.29 -1.82 1.43 0.12 0.04 0.00 0.00 177.00 177.06 2wxl s PHE 932 N -2.97 3.07 -0.21 0.56 5.36 -1.26 -4.84 117.98 117.69 2wxl s PHE 932 Ca 0.62 1.02 -0.04 0.00 -0.96 0.00 0.00 56.93 57.57 2wxl s PHE 932 Cb -0.17 -3.79 -0.01 0.00 -0.34 0.00 0.00 43.02 38.71 2wxl s PHE 932 CO 0.56 -2.58 -0.04 0.42 -1.46 0.00 0.00 175.22 172.11 2wxl s ILE 933 N 0.15 3.46 -0.15 3.12 -1.09 -1.26 -4.54 121.20 120.88 2wxl s ILE 933 Ca 0.60 -0.47 0.02 0.00 -2.23 0.00 0.00 60.65 58.56 2wxl s ILE 933 Cb -0.41 -2.56 0.01 0.00 -1.58 0.00 0.00 42.46 37.92 2wxl s ILE 933 CO 0.41 0.44 -0.20 -0.76 -1.23 0.00 0.00 174.94 173.59 2wxl s LEU 934 N 1.26 2.18 -0.08 2.97 1.43 -1.26 -4.90 118.68 120.28 2wxl s LEU 934 Ca 0.03 -0.59 -0.05 0.00 -1.03 0.00 0.00 54.13 52.49 2wxl s LEU 934 Cb -0.14 -1.47 -0.04 0.00 0.03 0.00 0.00 46.19 44.56 2wxl s LEU 934 CO -0.01 0.06 0.13 -0.89 0.23 0.00 0.00 176.35 175.86 2wxl s THR 935 N 0.94 5.27 0.11 5.49 2.01 -1.26 -4.50 115.64 123.70 2wxl s THR 935 Ca -0.04 0.01 -0.21 0.00 0.31 0.00 0.00 61.69 61.76 2wxl s THR 935 Cb -0.15 -3.33 -0.10 0.00 0.01 0.00 0.00 72.50 68.93 2wxl s THR 935 CO -0.04 0.53 1.75 0.22 -0.69 0.00 0.00 174.62 176.39 2wxl h TYR 936 N 4.66 0.10 0.00 4.92 3.20 -1.97 -1.44 116.97 126.43 2wxl h TYR 936 Ca -0.53 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.32 2wxl h TYR 936 Cb 1.21 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 39.45 2wxl h TYR 936 CO 0.71 0.06 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.73 2wxl h ASP 937 N 0.12 0.00 -0.01 -2.11 3.32 -1.93 0.53 116.42 116.34 2wxl h ASP 937 Ca 0.05 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.96 2wxl h ASP 937 Cb 0.01 0.00 0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wxl h ASP 937 CO -0.04 0.12 -0.53 -0.26 -1.72 0.00 0.00 179.24 176.81 2wxl h PHE 938 N 0.00 0.55 -0.73 4.55 0.04 -1.87 -2.72 116.94 116.76 2wxl h PHE 938 Ca -0.00 -0.30 0.03 0.00 2.80 0.00 0.00 57.97 60.50 2wxl h PHE 938 Cb 0.25 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 2wxl h PHE 938 CO 0.00 1.11 0.48 0.28 -0.60 0.00 0.00 178.31 179.58 2wxl h VAL 939 N -0.16 1.13 -0.68 -0.55 2.07 -0.81 0.29 116.25 117.55 2wxl h VAL 939 Ca -0.06 -0.32 -0.02 0.00 0.82 0.00 0.00 66.70 67.12 2wxl h VAL 939 Cb 1.25 0.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2wxl h VAL 939 CO 0.11 0.17 0.34 -0.74 0.02 0.00 0.00 177.57 177.47 2wxl h HIS 940 N 0.92 0.97 -0.17 1.57 6.17 -0.89 -0.51 115.15 123.21 2wxl h HIS 940 Ca 0.29 -0.04 -0.04 0.00 0.71 0.00 0.00 60.37 61.28 2wxl h HIS 940 Cb 0.01 -0.30 -0.00 0.00 2.52 0.00 0.00 27.41 29.63 2wxl h HIS 940 CO -0.00 0.71 -0.05 0.28 0.71 0.00 0.00 177.93 179.58 2wxl h VAL 941 N 0.94 1.30 -0.99 5.26 2.07 -0.98 -0.92 116.25 122.93 2wxl h VAL 941 Ca 0.24 -1.05 0.20 0.00 0.82 0.00 0.00 66.70 66.91 2wxl h VAL 941 Cb 0.10 1.64 -0.11 0.00 -1.52 0.00 0.00 31.29 31.40 2wxl h VAL 941 CO -0.03 0.31 0.59 0.40 0.02 0.00 0.00 177.57 178.86 2wxl h ILE 942 N 0.03 0.67 -0.24 4.57 2.04 -0.73 0.56 117.51 124.42 2wxl h ILE 942 Ca 0.04 -0.25 0.00 0.00 1.00 0.00 0.00 64.86 65.65 2wxl h ILE 942 Cb 0.50 -0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.47 2wxl h ILE 942 CO 0.02 0.13 0.00 0.00 0.00 0.00 0.00 178.15 178.30 2wxl n GLN 943 N -4.80 1.97 -2.40 2.37 6.02 -0.22 -4.68 117.38 115.64 2wxl n GLN 943 Ca 0.24 -1.02 -0.17 0.00 -0.01 0.00 0.00 57.00 56.03 2wxl n GLN 943 Cb 0.60 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 30.38 2wxl n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxl n GLN 944 N 0.25 -1.90 0.00 -1.09 6.02 0.19 -1.18 117.38 119.67 2wxl n GLN 944 Ca 0.09 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.93 2wxl n GLN 944 Cb 0.39 -5.48 0.00 0.00 1.02 0.00 0.00 30.24 26.17 2wxl n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxl n GLY 945 N -0.91 1.86 3.75 1.08 0.00 -0.37 -5.03 105.19 105.57 2wxl n GLY 945 Ca -0.21 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.41 2wxl n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxl s LYS 946 N -0.67 4.84 0.16 1.61 1.02 -0.32 -4.97 119.74 121.41 2wxl s LYS 946 Ca 0.00 1.52 -0.15 0.00 0.02 0.00 0.00 55.97 57.35 2wxl s LYS 946 Cb 0.00 -3.27 0.04 0.00 -0.52 0.00 0.00 37.83 34.07 2wxl s LYS 946 CO 0.00 0.49 1.82 1.15 -0.92 0.00 0.00 175.35 177.89 2wxl h THR 947 N 3.16 1.09 -3.15 2.17 2.02 -1.96 -3.41 112.91 112.84 2wxl h THR 947 Ca -0.45 -0.20 -0.67 0.00 0.77 0.00 0.00 66.41 65.86 2wxl h THR 947 Cb 1.20 0.47 -0.34 0.00 -1.74 0.00 0.00 68.15 67.74 2wxl h THR 947 CO 0.68 0.10 -0.87 0.20 0.37 0.00 0.00 175.52 176.01 2wxl s ASN 948 N -5.58 3.12 -0.48 4.18 0.01 -1.26 -5.03 114.94 109.91 2wxl s ASN 948 Ca -0.13 -0.62 0.06 0.00 -0.71 0.00 0.00 52.86 51.46 2wxl s ASN 948 Cb 0.11 -1.46 0.23 0.00 0.41 0.00 0.00 41.25 40.55 2wxl s ASN 948 CO 0.73 0.05 0.84 -3.20 -1.51 0.00 0.00 177.10 174.00 2wxl n ASN 949 N 4.28 -2.69 0.21 -1.22 2.85 -1.26 -5.01 115.26 112.43 2wxl n ASN 949 Ca -0.20 -3.21 0.07 0.00 -0.11 0.00 0.00 54.58 51.13 2wxl n ASN 949 Cb 0.51 1.60 0.48 0.00 1.24 0.00 0.00 39.78 43.61 2wxl n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxl h SER 950 N 4.12 0.00 0.10 1.20 4.64 -1.98 -1.39 113.55 120.24 2wxl h SER 950 Ca -0.11 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2wxl h SER 950 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2wxl h SER 950 CO 0.31 0.28 -0.05 -0.08 -0.87 0.00 0.00 176.83 176.42 2wxl h GLU 951 N 0.00 -0.13 -0.25 4.77 4.81 -1.99 0.31 114.58 122.10 2wxl h GLU 951 Ca -0.00 0.01 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 2wxl h GLU 951 Cb 0.63 0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.04 2wxl h GLU 951 CO 0.04 -0.08 -0.47 0.87 -0.73 0.00 0.00 179.01 178.63 2wxl h LYS 952 N -0.14 0.76 -0.62 1.92 1.79 -1.83 -2.89 116.57 115.56 2wxl h LYS 952 Ca -0.01 -0.48 -0.09 0.00 -2.18 0.00 0.00 60.65 57.88 2wxl h LYS 952 Cb 0.10 0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.79 2wxl h LYS 952 CO 0.02 1.11 0.02 0.35 -1.08 0.00 0.00 179.45 179.87 2wxl h PHE 953 N 0.50 1.17 0.00 -1.35 3.57 -1.17 -2.07 116.94 117.59 2wxl h PHE 953 Ca 0.01 -0.19 -0.14 0.00 3.53 0.00 0.00 57.97 61.17 2wxl h PHE 953 Cb 1.08 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.49 2wxl h PHE 953 CO 0.08 1.02 -0.68 0.93 -2.23 0.00 0.00 178.31 177.43 2wxl h GLU 954 N 0.99 0.00 -0.74 1.11 4.39 -1.02 -0.15 114.58 119.17 2wxl h GLU 954 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.92 2wxl h GLU 954 Cb 0.54 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.14 2wxl h GLU 954 CO 0.03 0.68 0.46 0.00 -1.16 0.00 0.00 179.01 179.01 2wxl h ARG 955 N 0.00 0.85 -0.41 2.33 3.08 -1.31 -0.75 114.38 118.17 2wxl h ARG 955 Ca -0.01 -0.05 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 2wxl h ARG 955 Cb 1.24 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2wxl h ARG 955 CO 0.09 0.56 -0.01 0.35 -1.07 0.00 0.00 179.97 179.89 2wxl h PHE 956 N 0.87 0.80 -0.76 3.04 3.57 -0.79 -1.46 116.94 122.21 2wxl h PHE 956 Ca 0.30 -0.14 0.08 0.00 3.53 0.00 0.00 57.97 61.74 2wxl h PHE 956 Cb 0.06 -0.21 -0.06 0.00 2.79 0.00 0.00 35.95 38.53 2wxl h PHE 956 CO -0.04 0.81 0.43 -0.09 -2.23 0.00 0.00 178.31 177.19 2wxl h ARG 957 N 0.57 0.74 -0.33 1.11 2.43 -0.78 -1.95 114.38 116.16 2wxl h ARG 957 Ca 0.12 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.30 2wxl h ARG 957 Cb 0.49 -0.17 -0.06 0.00 -0.42 0.00 0.00 29.97 29.82 2wxl h ARG 957 CO 0.02 0.49 -0.03 0.78 -1.51 0.00 0.00 179.97 179.72 2wxl h GLY 958 N 0.76 0.29 0.50 2.80 0.00 -0.83 0.30 103.07 106.90 2wxl h GLY 958 Ca 0.35 0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.82 2wxl h GLY 958 CO -0.22 -0.10 0.11 -0.97 0.00 0.00 0.00 176.54 175.37 2wxl h TYR 959 N 0.06 0.19 -0.17 5.60 0.05 -0.78 -0.15 116.97 121.77 2wxl h TYR 959 Ca 0.16 0.03 0.03 0.00 0.05 0.00 0.00 58.73 58.99 2wxl h TYR 959 Cb 0.23 -0.02 -0.03 0.00 1.01 0.00 0.00 36.73 37.93 2wxl h TYR 959 CO -0.26 0.04 0.01 0.00 -1.05 0.00 0.00 178.16 176.90 2wxl h GLU 961 N 0.07 0.47 -0.49 0.00 5.08 -0.65 -0.53 114.58 118.53 2wxl h GLU 961 Ca 0.08 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.42 2wxl h GLU 961 Cb 0.09 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.21 2wxl h GLU 961 CO -0.13 0.41 0.25 -0.09 -1.00 0.00 0.00 179.01 178.46 2wxl h ARG 962 N 0.41 0.48 -0.32 2.33 2.43 -0.93 0.28 114.38 119.07 2wxl h ARG 962 Ca 0.12 -0.03 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2wxl h ARG 962 Cb 0.09 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.52 2wxl h ARG 962 CO -0.02 0.32 0.11 0.00 -1.51 0.00 0.00 179.97 178.87 2wxl h ALA 963 N 1.26 0.41 -0.73 2.80 0.00 -0.86 -2.33 119.26 119.82 2wxl h ALA 963 Ca 0.21 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wxl h ALA 963 Cb 0.11 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 2wxl h ALA 963 CO -0.15 0.03 0.34 -0.92 0.00 0.00 0.00 179.25 178.55 2wxl h TYR 964 N 0.36 1.07 -0.12 0.00 3.20 -0.93 -2.63 116.97 117.92 2wxl h TYR 964 Ca 0.10 -0.06 -0.15 0.00 3.14 0.00 0.00 58.73 61.77 2wxl h TYR 964 Cb 0.22 -0.33 -0.01 0.00 1.54 0.00 0.00 36.73 38.15 2wxl h TYR 964 CO 0.00 0.80 -0.56 1.79 -1.64 0.00 0.00 178.16 178.55 2wxl h THR 965 N 1.03 1.35 -0.16 1.81 1.35 -0.85 -2.33 112.91 115.11 2wxl h THR 965 Ca 0.25 -1.85 -0.00 0.00 -0.55 0.00 0.00 66.41 64.26 2wxl h THR 965 Cb 0.14 1.87 -0.01 0.00 -1.73 0.00 0.00 68.15 68.43 2wxl h THR 965 CO -0.03 0.56 0.09 0.40 -0.25 0.00 0.00 175.52 176.29 2wxl h ILE 966 N 0.27 1.09 -0.46 6.82 2.04 -1.36 -2.87 117.51 123.04 2wxl h ILE 966 Ca 0.00 -0.25 0.04 0.00 1.00 0.00 0.00 64.86 65.66 2wxl h ILE 966 Cb 1.06 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 38.07 2wxl h ILE 966 CO 0.09 0.09 0.21 -0.07 0.00 0.00 0.00 178.15 178.47 2wxl h LEU 967 N 0.16 0.29 -0.88 1.44 3.38 -1.34 -2.19 115.31 116.17 2wxl h LEU 967 Ca 0.06 0.03 0.18 0.00 0.09 0.00 0.00 57.88 58.24 2wxl h LEU 967 Cb 0.06 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 40.69 2wxl h LEU 967 CO -0.01 0.20 0.43 0.03 0.09 0.00 0.00 178.44 179.18 2wxl h ARG 968 N 0.42 0.51 0.00 1.13 3.08 -1.35 0.61 114.38 118.77 2wxl h ARG 968 Ca 0.20 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2wxl h ARG 968 Cb 0.14 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2wxl h ARG 968 CO -0.16 0.34 -0.08 0.00 -1.07 0.00 0.00 179.97 179.00 2wxl h ARG 969 N 0.52 0.00 -0.43 0.04 3.08 -1.17 -0.75 114.38 115.67 2wxl h ARG 969 Ca 0.52 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.57 2wxl h ARG 969 Cb 0.86 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.91 2wxl h ARG 969 CO -0.44 0.08 0.00 0.72 -1.07 0.00 0.00 179.97 179.26 2wxl n HIS 970 N -3.87 1.36 -0.34 3.04 8.25 0.04 -4.68 115.22 119.02 2wxl n HIS 970 Ca -0.02 -0.75 0.12 0.00 -0.26 0.00 0.00 57.72 56.80 2wxl n HIS 970 Cb 0.17 -0.34 0.32 0.00 1.12 0.00 0.00 29.99 31.26 2wxl n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxl h GLY 971 N 2.90 1.66 1.89 -1.41 0.00 0.47 -0.57 103.07 108.01 2wxl h GLY 971 Ca 0.00 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 46.90 2wxl h GLY 971 CO 0.29 0.00 -0.27 1.41 0.00 0.00 0.00 176.54 177.98 2wxl h LEU 972 N 0.79 0.12 -0.33 3.11 3.38 -1.83 -1.18 115.31 119.37 2wxl h LEU 972 Ca 0.55 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 58.44 2wxl h LEU 972 Cb 0.82 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2wxl h LEU 972 CO -0.33 0.40 0.03 0.25 0.09 0.00 0.00 178.44 178.88 2wxl h LEU 973 N 0.12 0.55 -0.44 1.67 5.85 -1.47 -1.18 115.31 120.41 2wxl h LEU 973 Ca 0.02 -0.28 -0.01 0.00 0.84 0.00 0.00 57.88 58.44 2wxl h LEU 973 Cb 0.54 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.41 2wxl h LEU 973 CO 0.04 0.70 0.23 -0.26 -0.34 0.00 0.00 178.44 178.80 2wxl h PHE 974 N 0.39 0.63 -0.42 1.25 0.04 -1.25 -1.91 116.94 115.67 2wxl h PHE 974 Ca 0.10 -0.02 0.04 0.00 2.80 0.00 0.00 57.97 60.89 2wxl h PHE 974 Cb 0.39 -0.20 -0.04 0.00 2.20 0.00 0.00 35.95 38.31 2wxl h PHE 974 CO 0.03 0.49 0.19 -0.07 -0.60 0.00 0.00 178.31 178.35 2wxl h LEU 975 N 0.58 0.25 -0.93 1.54 3.38 -1.14 -0.73 115.31 118.25 2wxl h LEU 975 Ca 0.15 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 58.07 2wxl h LEU 975 Cb 0.09 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2wxl h LEU 975 CO -0.02 0.18 -0.19 0.45 0.09 0.00 0.00 178.44 178.95 2wxl h HIS 976 N 0.38 0.62 -0.21 1.13 3.86 -1.09 -0.74 115.15 119.10 2wxl h HIS 976 Ca 0.19 -0.12 -0.12 0.00 -1.16 0.00 0.00 60.37 59.16 2wxl h HIS 976 Cb 0.13 -0.16 -0.00 0.00 1.06 0.00 0.00 27.41 28.44 2wxl h HIS 976 CO -0.12 0.72 -0.34 -0.07 0.86 0.00 0.00 177.93 178.97 2wxl h LEU 977 N 0.50 0.67 -1.02 2.43 3.38 -1.08 -2.30 115.31 117.90 2wxl h LEU 977 Ca 0.08 -0.53 -0.05 0.00 0.09 0.00 0.00 57.88 57.48 2wxl h LEU 977 Cb 0.62 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 41.15 2wxl h LEU 977 CO 0.04 1.07 0.17 -0.26 0.09 0.00 0.00 178.44 179.55 2wxl h PHE 978 N 0.30 0.90 -0.55 1.13 -1.00 -1.06 -1.84 116.94 114.82 2wxl h PHE 978 Ca 0.02 -0.08 0.03 0.00 2.81 0.00 0.00 57.97 60.75 2wxl h PHE 978 Cb 0.93 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 2wxl h PHE 978 CO 0.09 0.73 0.33 0.00 -1.61 0.00 0.00 178.31 177.84 2wxl h ALA 979 N 1.33 0.71 0.00 2.45 0.00 -1.05 -1.92 119.26 120.78 2wxl h ALA 979 Ca 0.19 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2wxl h ALA 979 Cb 0.27 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wxl h ALA 979 CO -0.01 0.04 -0.38 -0.07 0.00 0.00 0.00 179.25 178.83 2wxl h LEU 980 N 0.64 0.00 -0.58 0.00 3.38 -1.07 -2.96 115.31 114.73 2wxl h LEU 980 Ca 0.22 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.19 2wxl h LEU 980 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 2wxl h LEU 980 CO -0.11 0.38 0.00 0.24 0.09 0.00 0.00 178.44 179.04 2wxl h MET 981 N 0.00 0.00 0.00 1.13 2.86 -0.55 -2.69 114.93 115.67 2wxl h MET 981 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wxl h MET 981 Cb 0.72 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.38 2wxl h MET 981 CO 0.05 0.00 0.10 0.00 1.06 0.00 0.00 176.91 178.12 2wxl h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.29 -1.20 114.38 116.69 2wxl h ARG 982 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxl h ARG 982 Cb 0.60 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.65 2wxl h ARG 982 CO 0.00 0.00 -0.00 0.00 -1.07 0.00 0.00 179.97 178.90 2wxl h ALA 983 N 1.78 1.00 -0.04 0.04 0.00 -1.70 -3.24 119.26 117.10 2wxl h ALA 983 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.76 2wxl h ALA 983 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2wxl h ALA 983 CO 0.00 0.00 -0.62 0.00 0.00 0.00 0.00 179.25 178.64 2wxl h ALA 984 N 2.00 0.88 0.00 0.00 0.00 -1.44 -3.47 119.26 117.22 2wxl h ALA 984 Ca -0.00 -0.56 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wxl h ALA 984 Cb 0.61 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wxl h ALA 984 CO 0.00 0.75 0.00 0.41 0.00 0.00 0.00 179.25 180.41 2wxl n GLY 985 N 0.28 0.51 3.72 0.00 0.00 -1.23 -5.03 105.19 103.45 2wxl n GLY 985 Ca -0.02 -0.87 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 2wxl n GLY 985 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxl s LEU 986 N 0.00 4.37 0.57 0.99 2.01 -1.26 -4.88 118.68 120.48 2wxl s LEU 986 Ca 0.00 2.64 0.38 0.00 0.01 0.00 0.00 54.13 57.16 2wxl s LEU 986 Cb 0.00 -3.60 1.96 0.00 0.01 0.00 0.00 46.19 44.57 2wxl s LEU 986 CO 0.00 -0.83 2.16 -0.65 1.01 0.00 0.00 176.35 178.03 2wxl h PRO 987 N 6.67 0.00 -0.07 1.29 0.11 -2.01 -0.81 132.00 137.17 2wxl h PRO 987 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 2wxl h PRO 987 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wxl h PRO 987 CO 0.91 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.09 2wxl n GLU 988 N -2.91 2.10 -3.28 1.05 1.02 -1.26 -4.27 120.64 113.09 2wxl n GLU 988 Ca -0.02 -1.60 -0.25 0.00 -0.02 0.00 0.00 57.16 55.27 2wxl n GLU 988 Cb 0.12 -1.47 -0.08 0.00 -0.02 0.00 0.00 31.44 29.99 2wxl n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxl n LEU 989 N 0.92 0.55 0.00 -4.62 7.94 -0.31 -4.86 117.00 116.62 2wxl n LEU 989 Ca 0.16 -4.73 0.00 0.00 -1.11 0.00 0.00 56.01 50.33 2wxl n LEU 989 Cb 0.50 0.43 0.00 0.00 0.53 0.00 0.00 43.42 44.88 2wxl n LEU 989 CO 0.15 2.02 -0.34 -1.54 -1.11 0.00 0.00 177.39 176.57 2wxl n SER 990 N 1.64 3.38 -0.80 1.96 3.41 -1.23 -4.29 113.62 117.68 2wxl n SER 990 Ca 0.24 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2wxl n SER 990 Cb 0.50 0.59 0.00 0.00 -0.26 0.00 0.00 64.21 65.04 2wxl n SER 990 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxl h SER 992 N 0.00 0.71 0.13 0.00 0.02 -2.00 -3.22 113.55 109.20 2wxl h SER 992 Ca 0.00 -0.40 -0.02 0.00 -0.84 0.00 0.00 61.79 60.53 2wxl h SER 992 Cb 0.00 -0.20 -0.00 0.00 0.14 0.00 0.00 62.40 62.34 2wxl h SER 992 CO 0.00 0.95 -0.11 0.11 -1.14 0.00 0.00 176.83 176.64 2wxl h LYS 993 N 0.47 0.00 -0.33 3.45 6.56 -1.97 0.17 116.57 124.92 2wxl h LYS 993 Ca 0.08 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.66 2wxl h LYS 993 Cb 0.67 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.32 2wxl h LYS 993 CO 0.05 0.11 0.18 -0.44 -2.06 0.00 0.00 179.45 177.28 2wxl h ASP 994 N 0.00 0.41 -0.51 0.86 3.32 -1.90 -1.35 116.42 117.25 2wxl h ASP 994 Ca -0.00 -0.08 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 2wxl h ASP 994 Cb 0.20 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 2wxl h ASP 994 CO 0.01 0.37 -0.04 0.40 -1.72 0.00 0.00 179.24 178.27 2wxl h ILE 995 N 0.41 1.27 -0.21 0.35 1.08 -1.31 -2.88 117.51 116.21 2wxl h ILE 995 Ca 0.12 -1.15 -0.00 0.00 -0.39 0.00 0.00 64.86 63.44 2wxl h ILE 995 Cb 0.05 0.99 -0.01 0.00 -3.07 0.00 0.00 36.82 34.78 2wxl h ILE 995 CO -0.02 0.40 0.11 -0.61 -0.69 0.00 0.00 178.15 177.34 2wxl h GLN 996 N 0.78 0.28 -0.53 2.37 5.75 -0.59 -1.10 115.11 122.08 2wxl h GLN 996 Ca 0.14 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.69 2wxl h GLN 996 Cb 0.57 -0.06 -0.06 0.00 1.07 0.00 0.00 27.48 29.00 2wxl h GLN 996 CO 0.03 0.21 0.20 -0.92 -2.65 0.00 0.00 178.83 175.70 2wxl h TYR 997 N 0.28 0.35 -0.33 3.99 3.20 -1.02 -0.26 116.97 123.18 2wxl h TYR 997 Ca 0.07 0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.94 2wxl h TYR 997 Cb 0.02 -0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.20 2wxl h TYR 997 CO 0.00 0.11 0.08 -0.07 -1.64 0.00 0.00 178.16 176.64 2wxl h LEU 998 N 0.38 0.51 -0.80 2.82 3.38 -1.27 -0.70 115.31 119.63 2wxl h LEU 998 Ca 0.25 -0.23 0.09 0.00 0.09 0.00 0.00 57.88 58.08 2wxl h LEU 998 Cb 0.27 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.81 2wxl h LEU 998 CO -0.25 0.61 0.44 0.11 0.09 0.00 0.00 178.44 179.44 2wxl h LYS 999 N 0.38 0.72 -0.16 1.13 1.57 -1.10 -0.71 116.57 118.40 2wxl h LYS 999 Ca 0.10 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.71 2wxl h LYS 999 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.45 2wxl h LYS 999 CO 0.00 0.48 -0.42 -0.44 -0.57 0.00 0.00 179.45 178.50 2wxl h ASP 1000N 0.74 0.65 -0.31 0.86 3.32 -0.90 -0.89 116.42 119.89 2wxl h ASP 1000Ca 0.39 -0.58 -0.05 0.00 0.02 0.00 0.00 57.03 56.81 2wxl h ASP 1000Cb 0.37 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2wxl h ASP 1000CO -0.25 1.12 0.05 0.77 -1.72 0.00 0.00 179.24 179.21 2wxl h SER 1001N 0.22 0.57 0.30 6.45 4.64 -0.87 -1.58 113.55 123.27 2wxl h SER 1001Ca -0.01 -0.10 0.00 0.00 -0.47 0.00 0.00 61.79 61.21 2wxl h SER 1001Cb 1.04 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2wxl h SER 1001CO 0.09 0.60 -0.19 0.18 -0.87 0.00 0.00 176.83 176.64 2wxl n LEU 1002N -4.29 0.78 -4.01 5.97 4.77 -0.30 -4.89 117.00 115.02 2wxl n LEU 1002Ca 0.02 -0.14 -0.27 0.00 -0.03 0.00 0.00 56.01 55.59 2wxl n LEU 1002Cb 0.23 -0.15 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 2wxl n LEU 1002CO 0.39 0.15 -0.27 0.00 -1.33 0.00 0.00 177.39 176.32 2wxl n ALA 1003N -0.79 -2.06 0.23 -1.18 0.00 -0.38 -4.84 120.51 111.49 2wxl n ALA 1003Ca 0.13 -0.31 0.11 0.00 0.00 0.00 0.00 53.44 53.37 2wxl n ALA 1003Cb 0.32 -1.51 0.52 0.00 0.00 0.00 0.00 19.45 18.79 2wxl n ALA 1003CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wxl h LEU 1004N -1.85 0.00 -1.08 0.00 -0.00 -1.73 -2.23 115.31 108.42 2wxl h LEU 1004Ca -0.64 0.00 -0.08 0.00 -0.00 0.00 0.00 57.88 57.15 2wxl h LEU 1004Cb 1.38 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 42.03 2wxl h LEU 1004CO 0.63 0.20 -0.26 1.23 -0.00 0.00 0.00 178.44 180.24 2wxl h GLY 1005N 1.78 0.36 -1.56 0.83 0.00 -1.89 -3.46 103.07 99.12 2wxl h GLY 1005Ca -0.00 -0.28 -0.49 0.00 0.00 0.00 0.00 47.33 46.56 2wxl h GLY 1005CO 0.03 0.26 0.39 0.54 0.00 0.00 0.00 176.54 177.76 2wxl s LYS 1006N -4.46 3.68 0.85 4.80 1.02 -0.84 -5.06 119.74 119.73 2wxl s LYS 1006Ca -0.06 0.89 -0.11 0.00 0.02 0.00 0.00 55.97 56.72 2wxl s LYS 1006Cb 0.14 -2.09 0.10 0.00 -0.52 0.00 0.00 37.83 35.46 2wxl s LYS 1006CO 0.77 -0.50 1.10 0.95 -0.92 0.00 0.00 175.35 176.74 2wxl s THR 1007N -2.87 2.87 0.43 2.17 -4.23 -1.26 -4.77 115.64 107.98 2wxl s THR 1007Ca 0.58 0.28 0.12 0.00 -1.18 0.00 0.00 61.69 61.49 2wxl s THR 1007Cb -0.11 -2.68 0.20 0.00 1.34 0.00 0.00 72.50 71.25 2wxl s THR 1007CO 0.43 -0.37 2.00 -0.08 -0.54 0.00 0.00 174.62 176.06 2wxl h GLU 1008N -1.44 0.15 -0.25 3.99 4.81 -1.97 0.13 114.58 120.00 2wxl h GLU 1008Ca -0.46 -0.03 -0.07 0.00 -0.13 0.00 0.00 59.36 58.68 2wxl h GLU 1008Cb 1.26 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.60 2wxl h GLU 1008CO 0.51 0.24 -0.10 1.49 -0.73 0.00 0.00 179.01 180.42 2wxl h GLU 1009N 0.15 0.51 -0.05 1.92 4.57 -2.00 -1.57 114.58 118.11 2wxl h GLU 1009Ca 0.03 -0.22 -0.01 0.00 -1.18 0.00 0.00 59.36 57.99 2wxl h GLU 1009Cb 0.24 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 28.81 2wxl h GLU 1009CO 0.01 0.76 -0.00 0.93 -1.18 0.00 0.00 179.01 179.53 2wxl h GLU 1010N 0.24 0.09 -0.81 1.92 5.08 -1.81 -2.54 114.58 116.77 2wxl h GLU 1010Ca 0.06 -0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.55 2wxl h GLU 1010Cb 0.59 -0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.73 2wxl h GLU 1010CO 0.03 0.37 0.34 0.00 -1.00 0.00 0.00 179.01 178.76 2wxl h ALA 1011N 0.72 1.18 -0.27 3.43 0.00 -0.74 0.53 119.26 124.11 2wxl h ALA 1011Ca 0.01 0.12 -0.17 0.00 0.00 0.00 0.00 54.91 54.88 2wxl h ALA 1011Cb 0.33 0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2wxl h ALA 1011CO 0.00 -0.22 -0.50 1.25 0.00 0.00 0.00 179.25 179.78 2wxl h LEU 1012N 0.46 0.84 -0.30 0.00 5.85 -1.26 0.35 115.31 121.25 2wxl h LEU 1012Ca 0.46 -0.43 -0.03 0.00 0.84 0.00 0.00 57.88 58.71 2wxl h LEU 1012Cb 0.74 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 2wxl h LEU 1012CO -0.43 1.20 0.06 0.50 -0.34 0.00 0.00 178.44 179.43 2wxl h LYS 1013N 0.60 0.49 -0.28 1.25 1.63 -0.86 0.17 116.57 119.56 2wxl h LYS 1013Ca 0.02 -0.12 0.05 0.00 -0.85 0.00 0.00 60.65 59.75 2wxl h LYS 1013Cb 1.08 -0.06 -0.05 0.00 -0.60 0.00 0.00 32.23 32.61 2wxl h LYS 1013CO 0.11 0.57 -0.01 1.25 -3.45 0.00 0.00 179.45 177.92 2wxl h HIS 1014N 0.32 -0.02 -0.69 1.91 2.76 -0.85 -1.93 115.15 116.65 2wxl h HIS 1014Ca 0.09 0.02 0.04 0.00 -2.20 0.00 0.00 60.37 58.32 2wxl h HIS 1014Cb 0.31 0.05 -0.05 0.00 1.55 0.00 0.00 27.41 29.28 2wxl h HIS 1014CO 0.02 -0.05 0.42 0.35 -1.30 0.00 0.00 177.93 177.37 2wxl h PHE 1015N 0.08 0.78 -0.71 5.26 3.57 -0.66 -2.48 116.94 122.78 2wxl h PHE 1015Ca 0.13 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.64 2wxl h PHE 1015Cb 0.18 -0.25 -0.03 0.00 2.79 0.00 0.00 35.95 38.63 2wxl h PHE 1015CO -0.22 0.43 0.39 0.00 -2.23 0.00 0.00 178.31 176.68 2wxl h ARG 1016N 0.81 0.97 -0.05 1.11 3.08 -0.13 -0.05 114.38 120.12 2wxl h ARG 1016Ca 0.28 -0.10 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2wxl h ARG 1016Cb 0.06 -0.20 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2wxl h ARG 1016CO -0.12 0.71 0.02 0.28 -1.07 0.00 0.00 179.97 179.78 2wxl h VAL 1017N 0.98 1.17 -0.98 2.04 2.07 -1.02 0.45 116.25 120.97 2wxl h VAL 1017Ca 0.25 -0.51 0.08 0.00 0.82 0.00 0.00 66.70 67.34 2wxl h VAL 1017Cb 0.02 1.42 -0.07 0.00 -1.52 0.00 0.00 31.29 31.14 2wxl h VAL 1017CO -0.04 0.14 0.63 0.11 0.02 0.00 0.00 177.57 178.43 2wxl h LYS 1018N -0.11 1.05 -0.10 1.57 1.79 -0.99 0.21 116.57 119.99 2wxl h LYS 1018Ca 0.02 -0.06 -0.06 0.00 -2.18 0.00 0.00 60.65 58.37 2wxl h LYS 1018Cb 0.21 -0.24 -0.00 0.00 -1.58 0.00 0.00 32.23 30.62 2wxl h LYS 1018CO -0.00 0.70 -0.15 0.35 -1.08 0.00 0.00 179.45 179.26 2wxl h PHE 1019N 1.08 0.35 -0.62 -1.35 3.57 -0.82 -0.95 116.94 118.20 2wxl h PHE 1019Ca 0.44 -0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.81 2wxl h PHE 1019Cb 0.27 -0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 2wxl h PHE 1019CO -0.00 0.75 0.33 -0.91 -2.23 0.00 0.00 178.31 176.25 2wxl h ASN 1020N -0.16 0.77 -0.43 0.41 2.35 -0.63 -1.19 115.58 116.71 2wxl h ASN 1020Ca 0.01 -0.06 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2wxl h ASN 1020Cb 0.72 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.87 2wxl h ASN 1020CO 0.04 0.63 0.06 -0.33 -1.65 0.00 0.00 177.43 176.18 2wxl h GLU 1021N 0.87 0.78 -0.47 0.81 5.08 -0.47 -2.29 114.58 118.89 2wxl h GLU 1021Ca 0.22 -0.18 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 2wxl h GLU 1021Cb 0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.16 2wxl h GLU 1021CO -0.03 0.75 -0.00 0.00 -1.00 0.00 0.00 179.01 178.72 2wxl h ALA 1022N 1.32 1.12 -0.17 3.43 0.00 -0.16 -2.47 119.26 122.32 2wxl h ALA 1022Ca 0.16 -0.26 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2wxl h ALA 1022Cb 0.36 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wxl h ALA 1022CO 0.01 0.56 -0.55 1.25 0.00 0.00 0.00 179.25 180.52 2wxl h LEU 1023N 0.73 0.78 -0.04 0.00 5.85 -1.04 -2.36 115.31 119.22 2wxl h LEU 1023Ca 0.14 -0.60 0.03 0.00 0.84 0.00 0.00 57.88 58.30 2wxl h LEU 1023Cb 0.44 -0.23 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 2wxl h LEU 1023CO 0.02 1.24 -0.22 0.03 -0.34 0.00 0.00 178.44 179.17 2wxl h ARG 1024N 0.36 -0.31 0.00 1.25 3.08 -1.39 -1.89 114.38 115.49 2wxl h ARG 1024Ca -0.02 0.02 -0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxl h ARG 1024Cb 1.18 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.30 2wxl h ARG 1024CO 0.12 -0.21 -0.01 1.49 -1.07 0.00 0.00 179.97 180.29 2wxl h GLU 1025N -0.32 0.00 0.00 0.04 4.57 -1.46 -2.93 114.58 114.47 2wxl h GLU 1025Ca 0.07 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2wxl h GLU 1025Cb 0.42 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.01 2wxl h GLU 1025CO -0.23 0.01 0.05 0.45 -1.18 0.00 0.00 179.01 178.11 2wxl n SER 1026N -3.43 0.20 0.00 1.04 2.88 -0.71 -5.05 113.62 108.56 2wxl n SER 1026Ca -0.03 0.56 0.00 0.00 -1.33 0.00 0.00 58.87 58.07 2wxl n SER 1026Cb 0.09 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.97 2wxl n SER 1026CO 0.00 0.00 0.00 1.87 -1.23 0.00 0.00 175.04 175.68