#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxh h LYS 110 N 0.00 0.87 -0.63 5.55 1.63 -2.05 -1.68 116.57 120.26 2wxh h LYS 110 Ca 0.00 -0.20 -0.07 0.00 -0.85 0.00 0.00 60.65 59.53 2wxh h LYS 110 Cb 0.00 -0.12 -0.03 0.00 -0.60 0.00 0.00 32.23 31.48 2wxh h LYS 110 CO 0.00 0.80 0.11 -0.22 -3.45 0.00 0.00 179.45 176.70 2wxh h LYS 111 N 0.83 1.02 -0.25 1.90 1.63 -2.06 -1.92 116.57 117.73 2wxh h LYS 111 Ca 0.18 -0.25 -0.02 0.00 -0.85 0.00 0.00 60.65 59.70 2wxh h LYS 111 Cb 0.35 -0.13 -0.01 0.00 -0.60 0.00 0.00 32.23 31.84 2wxh h LYS 111 CO 0.00 0.93 0.06 1.25 -3.45 0.00 0.00 179.45 178.24 2wxh h LEU 112 N 0.96 0.38 -0.58 5.20 5.85 -1.86 -2.35 115.31 122.89 2wxh h LEU 112 Ca 0.20 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.68 2wxh h LEU 112 Cb 0.40 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2wxh h LEU 112 CO 0.01 0.51 0.34 0.40 -0.34 0.00 0.00 178.44 179.36 2wxh h ILE 113 N 0.22 1.18 -0.65 4.05 2.04 -1.28 -0.33 117.51 122.74 2wxh h ILE 113 Ca 0.08 -0.42 0.03 0.00 1.00 0.00 0.00 64.86 65.55 2wxh h ILE 113 Cb 0.28 0.40 -0.04 0.00 -0.74 0.00 0.00 36.82 36.72 2wxh h ILE 113 CO 0.00 0.19 0.41 0.78 0.00 0.00 0.00 178.15 179.53 2wxh h ASN 114 N 0.79 0.67 0.04 1.72 2.35 -1.31 0.26 115.58 120.10 2wxh h ASN 114 Ca 0.21 -0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.81 2wxh h ASN 114 Cb 0.00 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.22 2wxh h ASN 114 CO -0.04 0.47 -0.48 0.77 -1.65 0.00 0.00 177.43 176.49 2wxh h SER 115 N 0.80 0.56 -0.64 5.81 4.64 -1.12 -1.73 113.55 121.86 2wxh h SER 115 Ca 0.26 -0.27 -0.06 0.00 -0.47 0.00 0.00 61.79 61.25 2wxh h SER 115 Cb 0.01 -0.16 -0.03 0.00 -0.31 0.00 0.00 62.40 61.92 2wxh h SER 115 CO -0.10 0.95 0.18 1.56 -0.87 0.00 0.00 176.83 178.55 2wxh h GLN 116 N 0.41 1.01 -0.13 4.77 4.20 -0.75 -1.95 115.11 122.67 2wxh h GLN 116 Ca 0.02 -0.23 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2wxh h GLN 116 Cb 1.00 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 2wxh h GLN 116 CO 0.09 0.89 0.06 0.82 -0.67 0.00 0.00 178.83 180.03 2wxh h ILE 117 N 0.93 1.12 -0.55 2.54 2.04 -0.84 -0.76 117.51 121.99 2wxh h ILE 117 Ca 0.20 -0.33 0.10 0.00 1.00 0.00 0.00 64.86 65.84 2wxh h ILE 117 Cb 0.32 1.10 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 2wxh h ILE 117 CO -0.00 0.10 0.08 0.28 0.00 0.00 0.00 178.15 178.61 2wxh h SER 118 N 0.08 -0.06 -0.30 1.72 0.02 -1.18 0.35 113.55 114.17 2wxh h SER 118 Ca 0.04 0.11 -0.06 0.00 -0.84 0.00 0.00 61.79 61.04 2wxh h SER 118 Cb 0.11 0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 2wxh h SER 118 CO -0.01 -0.01 -0.05 0.25 -1.14 0.00 0.00 176.83 175.88 2wxh h LEU 119 N 0.21 0.56 -0.37 5.07 5.85 -1.26 -2.43 115.31 122.94 2wxh h LEU 119 Ca 0.28 -0.35 -0.02 0.00 0.84 0.00 0.00 57.88 58.64 2wxh h LEU 119 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2wxh h LEU 119 CO -0.39 0.77 0.16 0.25 -0.34 0.00 0.00 178.44 178.90 2wxh h LEU 120 N 0.33 0.50 -0.01 2.25 5.85 -0.45 -3.01 115.31 120.78 2wxh h LEU 120 Ca 0.08 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2wxh h LEU 120 Cb 0.52 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.42 2wxh h LEU 120 CO 0.02 0.51 -0.18 2.30 -0.34 0.00 0.00 178.44 180.76 2wxh n ILE 121 N -4.70 0.00 -1.03 4.05 -5.35 0.05 -4.91 119.36 107.47 2wxh n ILE 121 Ca -0.01 -0.00 -0.01 0.00 -0.27 0.00 0.00 62.75 62.46 2wxh n ILE 121 Cb 0.13 -0.23 -0.00 0.00 -1.74 0.00 0.00 39.64 37.79 2wxh n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxh n GLY 122 N 1.49 0.50 2.89 3.28 0.00 -0.95 -4.94 105.19 107.47 2wxh n GLY 122 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.52 2wxh n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxh s LYS 123 N -1.10 0.06 0.14 1.61 2.20 -1.00 -5.04 119.74 116.61 2wxh s LYS 123 Ca 0.00 0.22 -0.31 0.00 -0.36 0.00 0.00 55.97 55.53 2wxh s LYS 123 Cb 0.00 -0.11 -0.08 0.00 -1.51 0.00 0.00 37.83 36.13 2wxh s LYS 123 CO 0.00 -0.11 1.30 0.20 -0.36 0.00 0.00 175.35 176.38 2wxh s GLY 124 N 0.71 2.32 0.57 5.54 0.00 -1.26 -4.27 107.32 110.93 2wxh s GLY 124 Ca -0.06 1.04 0.32 0.00 0.00 0.00 0.00 44.72 46.03 2wxh s GLY 124 CO -0.03 2.12 2.17 1.41 0.00 0.00 0.00 173.10 178.77 2wxh h LEU 125 N 6.08 0.00 -1.87 0.66 3.38 -1.90 -1.21 115.31 120.45 2wxh h LEU 125 Ca -0.43 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.51 2wxh h LEU 125 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wxh h LEU 125 CO 0.81 0.06 -0.13 1.12 0.09 0.00 0.00 178.44 180.38 2wxh h HIS 126 N 0.00 0.00 -0.14 1.13 2.07 -1.97 -2.07 115.15 114.18 2wxh h HIS 126 Ca -0.00 0.00 -0.10 0.00 -2.85 0.00 0.00 60.37 57.42 2wxh h HIS 126 Cb 0.21 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.17 2wxh h HIS 126 CO 0.00 0.13 -0.36 0.93 -3.07 0.00 0.00 177.93 175.57 2wxh h GLU 127 N 0.00 0.28 -0.40 5.12 5.08 -1.60 -0.65 114.58 122.41 2wxh h GLU 127 Ca -0.00 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2wxh h GLU 127 Cb 0.31 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2wxh h GLU 127 CO 0.02 0.61 0.11 0.74 -1.00 0.00 0.00 179.01 179.48 2wxh h PHE 128 N 0.24 0.66 -0.67 4.33 0.04 -1.49 -3.24 116.94 116.81 2wxh h PHE 128 Ca 0.03 -0.07 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 2wxh h PHE 128 Cb 0.75 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.68 2wxh h PHE 128 CO 0.01 0.62 0.40 -0.44 -0.60 0.00 0.00 178.31 178.31 2wxh h ASP 129 N 0.50 0.81 0.16 2.17 3.32 -1.32 -2.99 116.42 119.07 2wxh h ASP 129 Ca 0.13 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 57.11 2wxh h ASP 129 Cb 0.29 -0.20 -0.00 0.00 0.22 0.00 0.00 39.33 39.63 2wxh h ASP 129 CO -0.00 0.64 -0.03 0.28 -1.72 0.00 0.00 179.24 178.41 2wxh h SER 130 N 0.92 0.00 0.75 6.45 0.02 -1.15 -1.59 113.55 118.94 2wxh h SER 130 Ca 0.24 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.17 2wxh h SER 130 Cb -0.02 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.51 2wxh h SER 130 CO -0.04 0.03 -0.09 -0.07 -1.14 0.00 0.00 176.83 175.51 2wxh h LEU 131 N 0.00 0.00 -0.39 5.07 3.38 -1.57 -3.46 115.31 118.33 2wxh h LEU 131 Ca -0.00 0.00 -0.47 0.00 0.09 0.00 0.00 57.88 57.50 2wxh h LEU 131 Cb 0.12 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 40.64 2wxh h LEU 131 CO 0.00 0.09 -0.69 0.54 0.09 0.00 0.00 178.44 178.47 2wxh n ARG 132 N -3.29 -2.28 -3.50 1.13 5.12 -0.60 -4.90 116.66 108.34 2wxh n ARG 132 Ca -0.00 0.26 -0.41 0.00 -1.93 0.00 0.00 57.85 55.77 2wxh n ARG 132 Cb 0.30 -4.90 -0.10 0.00 -1.16 0.00 0.00 32.46 26.60 2wxh n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxh s ASP 133 N -2.98 6.09 0.29 0.55 -1.08 -1.26 -4.99 116.67 113.29 2wxh s ASP 133 Ca 0.61 -0.47 0.04 0.00 -0.52 0.00 0.00 52.55 52.21 2wxh s ASP 133 Cb -0.34 -2.15 0.68 0.00 -1.46 0.00 0.00 42.92 39.65 2wxh s ASP 133 CO 0.75 -0.29 1.78 -0.65 0.52 0.00 0.00 175.17 177.29 2wxh h PRO 134 N 8.51 0.75 -0.51 4.34 0.11 -1.98 0.91 132.00 144.14 2wxh h PRO 134 Ca -0.30 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.72 2wxh h PRO 134 Cb 1.15 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.07 2wxh h PRO 134 CO 0.66 0.49 0.15 1.49 -0.21 0.00 0.00 178.00 180.58 2wxh h GLU 135 N 0.77 0.79 -0.09 1.05 4.81 -1.98 0.30 114.58 120.22 2wxh h GLU 135 Ca 0.55 -0.18 -0.00 0.00 -0.13 0.00 0.00 59.36 59.60 2wxh h GLU 135 Cb 0.81 -0.11 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2wxh h GLU 135 CO -0.37 0.74 0.04 0.28 -0.73 0.00 0.00 179.01 178.98 2wxh h VAL 136 N 0.69 1.12 -0.37 0.32 2.07 -1.76 0.01 116.25 118.33 2wxh h VAL 136 Ca 0.16 -0.36 0.05 0.00 0.82 0.00 0.00 66.70 67.37 2wxh h VAL 136 Cb 0.29 1.19 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 2wxh h VAL 136 CO -0.00 0.11 0.08 0.78 0.02 0.00 0.00 177.57 178.56 2wxh h ASN 137 N 0.02 0.03 -0.32 0.57 2.35 -0.54 -0.20 115.58 117.50 2wxh h ASN 137 Ca 0.03 0.06 -0.03 0.00 -0.55 0.00 0.00 56.30 55.81 2wxh h ASN 137 Cb 0.13 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.56 2wxh h ASN 137 CO -0.00 0.05 0.07 0.44 -1.65 0.00 0.00 177.43 176.34 2wxh h ASP 138 N 0.21 0.49 -0.23 5.81 3.32 -0.35 -2.28 116.42 123.39 2wxh h ASP 138 Ca 0.17 -0.24 0.06 0.00 0.02 0.00 0.00 57.03 57.04 2wxh h ASP 138 Cb 0.19 -0.13 -0.07 0.00 0.22 0.00 0.00 39.33 39.55 2wxh h ASP 138 CO -0.22 0.61 -0.25 0.15 -1.72 0.00 0.00 179.24 177.81 2wxh h PHE 139 N 0.35 -0.66 -0.26 4.55 3.57 -0.56 -1.55 116.94 122.39 2wxh h PHE 139 Ca 0.10 0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.68 2wxh h PHE 139 Cb 0.32 0.32 -0.04 0.00 2.79 0.00 0.00 35.95 39.34 2wxh h PHE 139 CO 0.02 -0.32 0.00 0.00 -2.23 0.00 0.00 178.31 175.78 2wxh h ARG 140 N -0.26 0.08 -0.22 1.11 3.08 -0.91 -1.29 114.38 115.97 2wxh h ARG 140 Ca 0.13 -0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.07 2wxh h ARG 140 Cb 0.46 -0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 2wxh h ARG 140 CO -0.38 0.05 -0.27 1.79 -1.07 0.00 0.00 179.97 180.09 2wxh h THR 141 N 0.08 1.33 -0.16 2.04 1.35 -1.19 -1.44 112.91 114.92 2wxh h THR 141 Ca 0.12 -1.46 -0.00 0.00 -0.55 0.00 0.00 66.41 64.52 2wxh h THR 141 Cb 0.16 1.77 -0.01 0.00 -1.73 0.00 0.00 68.15 68.34 2wxh h THR 141 CO -0.20 0.45 0.09 0.50 -0.25 0.00 0.00 175.52 176.11 2wxh h LYS 142 N 0.25 0.22 -0.03 4.72 1.63 -1.24 -2.35 116.57 119.77 2wxh h LYS 142 Ca 0.03 -0.02 -0.12 0.00 -0.85 0.00 0.00 60.65 59.68 2wxh h LYS 142 Cb 0.84 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.41 2wxh h LYS 142 CO 0.06 0.20 -0.55 0.52 -3.45 0.00 0.00 179.45 176.24 2wxh h MET 143 N 0.18 0.09 -0.56 1.90 2.86 -1.27 -0.61 114.93 117.52 2wxh h MET 143 Ca 0.06 -0.06 -0.02 0.00 -2.06 0.00 0.00 59.70 57.62 2wxh h MET 143 Cb 0.04 0.01 -0.03 0.00 0.06 0.00 0.00 31.60 31.68 2wxh h MET 143 CO -0.01 0.62 0.27 -0.09 1.06 0.00 0.00 176.91 178.75 2wxh h ARG 144 N 0.07 0.80 0.14 1.72 2.43 -1.17 -0.73 114.38 117.65 2wxh h ARG 144 Ca -0.00 -0.12 -0.01 0.00 -0.81 0.00 0.00 59.98 59.04 2wxh h ARG 144 Cb 0.99 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.39 2wxh h ARG 144 CO 0.08 0.66 -0.07 0.37 -1.51 0.00 0.00 179.97 179.49 2wxh h GLN 145 N 0.75 -0.18 -0.39 0.20 4.15 -0.90 -0.31 115.11 118.43 2wxh h GLN 145 Ca 0.19 0.01 0.08 0.00 0.77 0.00 0.00 58.65 59.70 2wxh h GLN 145 Cb 0.12 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.78 2wxh h GLN 145 CO -0.02 -0.07 -0.06 0.35 -1.93 0.00 0.00 178.83 177.09 2wxh h PHE 146 N -0.25 -0.14 -0.38 3.99 3.57 -1.02 -1.96 116.94 120.75 2wxh h PHE 146 Ca -0.02 0.03 -0.13 0.00 3.53 0.00 0.00 57.97 61.38 2wxh h PHE 146 Cb 0.20 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.04 2wxh h PHE 146 CO -0.05 -0.13 -0.31 0.00 -2.23 0.00 0.00 178.31 175.59 2wxh h GLU 148 N 0.69 0.47 -0.56 0.00 5.08 -0.82 -2.24 114.58 117.21 2wxh h GLU 148 Ca 0.08 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.21 2wxh h GLU 148 Cb 0.85 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.04 2wxh h GLU 148 CO 0.07 0.64 0.03 0.93 -1.00 0.00 0.00 179.01 179.68 2wxh h GLU 149 N 0.43 0.94 -0.52 2.33 5.08 -1.21 -2.13 114.58 119.49 2wxh h GLU 149 Ca 0.07 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.16 2wxh h GLU 149 Cb 0.56 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2wxh h GLU 149 CO 0.04 0.91 0.28 0.00 -1.00 0.00 0.00 179.01 179.24 2wxh h ALA 150 N 1.15 0.67 -0.57 3.43 0.00 -1.27 -2.30 119.26 120.37 2wxh h ALA 150 Ca 0.17 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 2wxh h ALA 150 Cb 0.47 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2wxh h ALA 150 CO 0.02 0.19 0.35 0.00 0.00 0.00 0.00 179.25 179.81 2wxh h ALA 151 N 1.12 1.54 -0.16 0.00 0.00 -1.20 -1.64 119.26 118.92 2wxh h ALA 151 Ca 0.18 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wxh h ALA 151 Cb 0.05 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wxh h ALA 151 CO -0.03 0.41 -0.06 0.00 0.00 0.00 0.00 179.25 179.57 2wxh h ALA 152 N 1.60 0.22 -1.00 0.00 0.00 -1.10 -2.17 119.26 116.81 2wxh h ALA 152 Ca 0.21 -0.25 0.13 0.00 0.00 0.00 0.00 54.91 55.00 2wxh h ALA 152 Cb -0.04 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 17.60 2wxh h ALA 152 CO -0.04 0.00 0.63 1.25 0.00 0.00 0.00 179.25 181.09 2wxh h HIS 153 N 0.01 1.13 -0.33 0.00 6.17 -1.26 -2.82 115.15 118.04 2wxh h HIS 153 Ca 0.04 0.03 -0.14 0.00 0.71 0.00 0.00 60.37 61.01 2wxh h HIS 153 Cb 0.51 -0.35 -0.01 0.00 2.52 0.00 0.00 27.41 30.08 2wxh h HIS 153 CO 0.06 0.41 -0.35 -0.09 0.71 0.00 0.00 177.93 178.66 2wxh h ARG 154 N 0.95 0.75 0.00 5.26 2.43 -1.05 -3.06 114.38 119.67 2wxh h ARG 154 Ca 0.51 -0.37 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2wxh h ARG 154 Cb 0.57 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 2wxh h ARG 154 CO -0.29 0.99 0.00 1.04 -1.51 0.00 0.00 179.97 180.20 2wxh n GLN 155 N -4.06 0.12 -0.12 0.20 1.13 -0.84 -2.38 117.38 111.43 2wxh n GLN 155 Ca -0.01 0.32 0.06 0.00 -1.94 0.00 0.00 57.00 55.42 2wxh n GLN 155 Cb 0.51 -1.71 0.12 0.00 0.11 0.00 0.00 30.24 29.27 2wxh n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxh n GLN 156 N -1.92 2.06 -1.68 -1.09 10.64 -1.16 -4.92 117.38 119.31 2wxh n GLN 156 Ca 0.03 -1.77 -0.43 0.00 -1.83 0.00 0.00 57.00 53.01 2wxh n GLN 156 Cb 0.23 -1.27 -0.00 0.00 -0.86 0.00 0.00 30.24 28.34 2wxh n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxh n LEU 157 N 0.62 3.26 -4.64 2.61 4.77 -1.00 -4.98 117.00 117.64 2wxh n LEU 157 Ca 0.10 1.18 -0.30 0.00 -0.03 0.00 0.00 56.01 56.96 2wxh n LEU 157 Cb 0.39 -1.45 0.18 0.00 -2.33 0.00 0.00 43.42 40.21 2wxh n LEU 157 CO 0.08 -0.71 0.65 -0.83 -1.33 0.00 0.00 177.39 175.24 2wxh s GLY 158 N -0.40 1.65 0.31 -0.72 0.00 -1.26 -4.69 107.32 102.21 2wxh s GLY 158 Ca 0.57 0.40 0.00 0.00 0.00 0.00 0.00 44.72 45.69 2wxh s GLY 158 CO 0.61 0.88 1.91 0.11 0.00 0.00 0.00 173.10 176.61 2wxh h TRP 159 N -1.99 0.83 -0.44 1.90 5.08 -1.93 0.15 115.95 119.55 2wxh h TRP 159 Ca -0.47 -0.03 -0.11 0.00 1.08 0.00 0.00 58.89 59.35 2wxh h TRP 159 Cb 1.28 -0.26 -0.01 0.00 -3.00 0.00 0.00 29.16 27.17 2wxh h TRP 159 CO 0.45 0.62 -0.17 0.28 -1.28 0.00 0.00 178.44 178.35 2wxh h VAL 160 N 0.83 1.27 -0.34 0.12 2.07 -1.97 -1.70 116.25 116.52 2wxh h VAL 160 Ca 0.20 -1.31 -0.05 0.00 0.82 0.00 0.00 66.70 66.36 2wxh h VAL 160 Cb 0.12 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.07 2wxh h VAL 160 CO -0.02 0.45 -0.01 -0.33 0.02 0.00 0.00 177.57 177.67 2wxh h GLU 161 N 0.72 0.54 -0.33 1.57 5.08 -1.81 -1.97 114.58 118.37 2wxh h GLU 161 Ca 0.10 -0.12 -0.05 0.00 -1.00 0.00 0.00 59.36 58.29 2wxh h GLU 161 Cb 0.73 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.89 2wxh h GLU 161 CO 0.06 0.57 0.00 2.35 -1.00 0.00 0.00 179.01 180.99 2wxh h TRP 162 N 0.51 0.63 -0.57 4.33 2.91 -0.46 -1.28 115.95 122.03 2wxh h TRP 162 Ca 0.11 -0.11 0.08 0.00 1.13 0.00 0.00 58.89 60.10 2wxh h TRP 162 Cb 0.35 -0.17 -0.06 0.00 -0.51 0.00 0.00 29.16 28.77 2wxh h TRP 162 CO 0.01 0.70 0.23 -0.07 -1.03 0.00 0.00 178.44 178.28 2wxh h LEU 163 N 0.39 0.25 -1.23 0.65 3.38 -1.10 -0.06 115.31 117.58 2wxh h LEU 163 Ca 0.09 0.06 0.02 0.00 0.09 0.00 0.00 57.88 58.15 2wxh h LEU 163 Cb 0.44 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 2wxh h LEU 163 CO 0.02 0.16 0.52 1.56 0.09 0.00 0.00 178.44 180.79 2wxh h GLN 164 N 0.42 1.00 0.08 1.13 4.20 -1.18 0.78 115.11 121.54 2wxh h GLN 164 Ca 0.28 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.93 2wxh h GLN 164 Cb 0.31 -0.23 0.00 0.00 0.30 0.00 0.00 27.48 27.86 2wxh h GLN 164 CO -0.26 0.66 -0.04 -0.92 -0.67 0.00 0.00 178.83 177.60 2wxh h TYR 165 N 1.04 -0.10 0.08 2.96 3.20 -0.44 -3.27 116.97 120.44 2wxh h TYR 165 Ca 0.30 -0.00 -0.31 0.00 3.14 0.00 0.00 58.73 61.85 2wxh h TYR 165 Cb -0.06 0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.22 2wxh h TYR 165 CO -0.00 0.32 -1.69 1.03 -1.64 0.00 0.00 178.16 176.17 2wxh h SER 166 N -0.54 0.25 -2.12 -2.11 0.87 -0.76 -1.24 113.55 107.90 2wxh h SER 166 Ca -0.01 -0.45 -0.56 0.00 -1.23 0.00 0.00 61.79 59.54 2wxh h SER 166 Cb 0.46 -0.08 -0.41 0.00 -0.44 0.00 0.00 62.40 61.93 2wxh h SER 166 CO 0.02 1.39 -0.88 0.49 -0.53 0.00 0.00 176.83 177.32 2wxh n PHE 167 N -3.32 1.89 -1.69 2.24 3.72 0.27 -4.71 117.46 115.85 2wxh n PHE 167 Ca -0.20 -3.88 -0.40 0.00 -0.05 0.00 0.00 57.45 52.91 2wxh n PHE 167 Cb 1.04 -0.46 0.02 0.00 -0.94 0.00 0.00 39.48 39.15 2wxh n PHE 167 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wxh n PRO 168 N 0.63 1.70 -1.88 -1.08 -0.02 -1.23 -4.55 135.00 128.57 2wxh n PRO 168 Ca 0.27 0.61 -0.41 0.00 -2.02 0.00 0.00 63.50 61.95 2wxh n PRO 168 Cb 0.49 -2.37 -0.01 0.00 -0.02 0.00 0.00 33.50 31.59 2wxh n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wxh s LEU 169 N -2.01 4.35 -0.49 2.45 1.43 -1.26 -4.89 118.68 118.26 2wxh s LEU 169 Ca 0.65 2.94 -0.10 0.00 -1.03 0.00 0.00 54.13 56.60 2wxh s LEU 169 Cb -0.48 -3.66 0.12 0.00 0.03 0.00 0.00 46.19 42.20 2wxh s LEU 169 CO 0.55 -0.79 0.38 -1.10 0.23 0.00 0.00 176.35 175.61 2wxh s GLN 170 N -1.86 2.57 0.15 1.70 -0.21 -1.26 -5.06 119.66 115.69 2wxh s GLN 170 Ca 0.53 -1.78 0.06 0.00 0.02 0.00 0.00 55.36 54.18 2wxh s GLN 170 Cb -0.45 -3.99 -0.04 0.00 1.00 0.00 0.00 33.01 29.53 2wxh s GLN 170 CO 0.59 -1.22 0.06 -0.51 -2.12 0.00 0.00 175.29 172.09 2wxh s LEU 171 N 1.36 3.56 0.43 2.90 1.43 -1.26 -0.99 118.68 126.11 2wxh s LEU 171 Ca 0.06 -0.23 -0.24 0.00 -1.03 0.00 0.00 54.13 52.68 2wxh s LEU 171 Cb -0.26 -2.22 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 2wxh s LEU 171 CO -0.00 0.10 1.20 -1.61 0.23 0.00 0.00 176.35 176.27 2wxh s GLU 172 N -2.86 3.90 0.00 1.70 0.41 -0.41 -4.69 118.70 116.74 2wxh s GLU 172 Ca 0.29 1.90 0.00 0.00 -0.41 0.00 0.00 54.97 56.75 2wxh s GLU 172 Cb -0.10 -2.59 0.00 0.00 -1.78 0.00 0.00 34.13 29.66 2wxh s GLU 172 CO 0.21 -0.47 0.47 -2.30 -0.49 0.00 0.00 175.26 172.67 2wxh n PRO 173 N -0.14 0.00 0.00 0.39 -0.02 -1.26 -5.03 135.00 128.93 2wxh n PRO 173 Ca 0.05 0.10 0.00 0.00 -2.02 0.00 0.00 63.50 61.64 2wxh n PRO 173 Cb 0.46 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.37 2wxh n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxh n ASN 187 N -0.97 0.00 -4.49 2.55 5.15 -1.26 -4.80 115.26 111.44 2wxh n ASN 187 Ca 0.00 0.00 -0.30 0.00 -0.60 0.00 0.00 54.58 53.68 2wxh n ASN 187 Cb 0.08 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 39.21 2wxh n ASN 187 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 2wxh s ARG 188 N 0.00 1.96 0.15 1.20 3.00 -1.26 -4.99 118.95 119.01 2wxh s ARG 188 Ca 0.00 -1.07 -0.08 0.00 -1.00 0.00 0.00 55.73 53.58 2wxh s ARG 188 Cb 0.00 -2.17 -0.06 0.00 0.00 0.00 0.00 34.95 32.72 2wxh s ARG 188 CO 0.00 0.51 0.45 0.00 0.00 0.00 0.00 175.30 176.26 2wxh s ALA 189 N -1.05 3.69 -0.03 6.12 0.00 -1.26 0.22 121.76 129.44 2wxh s ALA 189 Ca 0.17 -0.39 -0.15 0.00 0.00 0.00 0.00 51.96 51.59 2wxh s ALA 189 Cb -0.11 -2.29 0.03 0.00 0.00 0.00 0.00 23.12 20.75 2wxh s ALA 189 CO 0.08 0.57 0.34 -0.48 0.00 0.00 0.00 175.76 176.28 2wxh s LEU 190 N -2.42 0.73 -0.08 0.00 2.34 0.11 -4.83 118.68 114.53 2wxh s LEU 190 Ca 0.40 0.22 -0.23 0.00 0.06 0.00 0.00 54.13 54.58 2wxh s LEU 190 Cb -0.13 1.34 -0.04 0.00 -0.56 0.00 0.00 46.19 46.81 2wxh s LEU 190 CO 0.21 -0.41 0.68 -0.76 -1.06 0.00 0.00 176.35 175.01 2wxh s LEU 191 N -1.10 4.30 -0.05 1.48 1.43 -1.26 -0.67 118.68 122.81 2wxh s LEU 191 Ca -0.11 1.13 0.03 0.00 -1.03 0.00 0.00 54.13 54.14 2wxh s LEU 191 Cb -0.05 -3.04 0.01 0.00 0.03 0.00 0.00 46.19 43.14 2wxh s LEU 191 CO 0.04 -0.13 -0.12 -0.69 0.23 0.00 0.00 176.35 175.68 2wxh s VAL 192 N 0.91 1.11 -0.15 -1.59 1.01 0.36 -3.85 120.40 118.19 2wxh s VAL 192 Ca 0.36 -0.50 -0.17 0.00 0.00 0.00 0.00 61.98 61.67 2wxh s VAL 192 Cb -0.17 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.18 2wxh s VAL 192 CO 0.17 0.34 0.43 0.21 0.00 0.00 0.00 175.10 176.24 2wxh s ASN 193 N 0.42 6.57 -0.02 3.32 3.84 0.36 -0.18 114.94 129.26 2wxh s ASN 193 Ca -0.09 0.67 0.04 0.00 0.21 0.00 0.00 52.86 53.68 2wxh s ASN 193 Cb -0.13 -2.25 -0.01 0.00 -0.55 0.00 0.00 41.25 38.31 2wxh s ASN 193 CO 0.03 -0.02 -0.12 -0.69 -2.79 0.00 0.00 177.10 173.50 2wxh s VAL 194 N 0.87 1.00 0.38 -5.21 1.01 0.47 -0.48 120.40 118.43 2wxh s VAL 194 Ca 0.22 -0.52 0.05 0.00 0.00 0.00 0.00 61.98 61.73 2wxh s VAL 194 Cb -0.15 -0.84 -0.03 0.00 0.00 0.00 0.00 36.38 35.36 2wxh s VAL 194 CO 0.08 0.29 0.17 -1.59 0.00 0.00 0.00 175.10 174.05 2wxh s LYS 195 N -0.17 1.85 0.18 2.72 -2.85 -0.69 -0.24 119.74 120.53 2wxh s LYS 195 Ca 0.03 -2.11 0.07 0.00 -1.00 0.00 0.00 55.97 52.96 2wxh s LYS 195 Cb -0.06 -0.30 -0.04 0.00 -2.06 0.00 0.00 37.83 35.36 2wxh s LYS 195 CO -0.00 -0.52 0.01 -0.06 0.10 0.00 0.00 175.35 174.87 2wxh s PHE 196 N -3.32 2.85 0.36 1.78 0.08 -1.26 -0.71 117.98 117.76 2wxh s PHE 196 Ca 0.29 -0.14 0.13 0.00 0.12 0.00 0.00 56.93 57.34 2wxh s PHE 196 Cb 0.03 -1.37 0.96 0.00 -0.57 0.00 0.00 43.02 42.07 2wxh s PHE 196 CO 0.18 0.52 1.78 1.49 -0.10 0.00 0.00 175.22 179.09 2wxh h GLU 197 N 2.62 0.52 0.11 0.44 4.81 -1.83 -3.05 114.58 118.19 2wxh h GLU 197 Ca -0.47 -0.03 -0.28 0.00 -0.13 0.00 0.00 59.36 58.45 2wxh h GLU 197 Cb 1.21 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.46 2wxh h GLU 197 CO 0.58 0.34 -1.37 0.78 -0.73 0.00 0.00 179.01 178.62 2wxh h GLY 198 N 0.53 0.26 -2.24 1.92 0.00 -1.96 -3.49 103.07 98.09 2wxh h GLY 198 Ca 0.58 -0.66 -0.52 0.00 0.00 0.00 0.00 47.33 46.72 2wxh h GLY 198 CO -0.33 0.58 -0.47 -0.45 0.00 0.00 0.00 176.54 175.87 2wxh s SER 199 N -6.99 4.87 0.08 0.19 0.15 -1.16 -5.04 113.70 105.80 2wxh s SER 199 Ca -0.06 -0.76 -0.05 0.00 0.70 0.00 0.00 55.95 55.78 2wxh s SER 199 Cb 0.07 -0.69 -0.28 0.00 -1.71 0.00 0.00 66.02 63.42 2wxh s SER 199 CO 0.86 -0.46 1.14 -0.33 1.20 0.00 0.00 173.24 175.66 2wxh h GLU 200 N 1.31 0.30 -6.69 5.44 3.07 -1.95 -3.43 114.58 112.64 2wxh h GLU 200 Ca -0.43 -0.49 -0.55 0.00 -0.50 0.00 0.00 59.36 57.38 2wxh h GLU 200 Cb 1.26 0.18 0.08 0.00 -0.84 0.00 0.00 28.75 29.43 2wxh h GLU 200 CO 0.62 1.23 0.79 0.39 -1.40 0.00 0.00 179.01 180.64 2wxh n GLU 201 N -3.56 2.44 -4.09 2.33 1.02 -1.26 -5.01 120.64 112.50 2wxh n GLU 201 Ca -0.09 0.87 -0.08 0.00 -0.02 0.00 0.00 57.16 57.84 2wxh n GLU 201 Cb 1.02 -2.61 -0.10 0.00 -0.02 0.00 0.00 31.44 29.73 2wxh n GLU 201 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 2wxh s SER 202 N 0.50 0.41 -0.05 1.62 1.04 -1.26 -4.34 113.70 111.62 2wxh s SER 202 Ca 0.67 -1.04 0.03 0.00 0.48 0.00 0.00 55.95 56.09 2wxh s SER 202 Cb -0.56 0.24 0.00 0.00 0.10 0.00 0.00 66.02 65.80 2wxh s SER 202 CO 0.47 -0.65 -0.14 -0.36 0.98 0.00 0.00 173.24 173.54 2wxh s PHE 203 N -3.95 1.54 -0.41 5.02 0.08 0.67 -4.95 117.98 115.97 2wxh s PHE 203 Ca 0.12 -0.50 -0.12 0.00 0.12 0.00 0.00 56.93 56.55 2wxh s PHE 203 Cb 0.08 -1.08 0.05 0.00 -0.57 0.00 0.00 43.02 41.50 2wxh s PHE 203 CO -0.07 -0.22 0.27 0.99 -0.10 0.00 0.00 175.22 176.10 2wxh s THR 204 N 0.34 4.63 0.12 0.64 2.01 -1.26 -0.39 115.64 121.73 2wxh s THR 204 Ca -0.09 -1.08 -0.02 0.00 0.31 0.00 0.00 61.69 60.81 2wxh s THR 204 Cb -0.13 -3.71 -0.05 0.00 0.01 0.00 0.00 72.50 68.62 2wxh s THR 204 CO 0.03 -0.41 0.31 -0.36 -0.69 0.00 0.00 174.62 173.50 2wxh s PHE 205 N 1.53 3.49 -0.23 4.92 0.08 0.75 -4.89 117.98 123.64 2wxh s PHE 205 Ca 0.03 0.38 -0.15 0.00 0.12 0.00 0.00 56.93 57.31 2wxh s PHE 205 Cb -0.22 -1.87 -0.04 0.00 -0.57 0.00 0.00 43.02 40.33 2wxh s PHE 205 CO 0.05 0.49 0.37 -1.14 -0.10 0.00 0.00 175.22 174.89 2wxh s GLN 206 N -2.72 4.10 0.22 0.44 0.74 -1.26 -0.49 119.66 120.69 2wxh s GLN 206 Ca 0.38 0.10 0.02 0.00 0.05 0.00 0.00 55.36 55.91 2wxh s GLN 206 Cb -0.12 -3.58 -0.01 0.00 1.10 0.00 0.00 33.01 30.40 2wxh s GLN 206 CO 0.27 -0.13 0.07 1.33 -0.55 0.00 0.00 175.29 176.29 2wxh n VAL 207 N 4.64 0.00 -4.14 1.34 0.24 0.15 -4.95 118.33 115.61 2wxh n VAL 207 Ca -0.09 -1.26 -0.30 0.00 -2.04 0.00 0.00 64.34 60.65 2wxh n VAL 207 Cb 0.51 0.44 -0.08 0.00 -1.47 0.00 0.00 33.84 33.24 2wxh n VAL 207 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wxh s SER 208 N -2.33 4.95 0.56 -1.34 0.15 -1.26 0.08 113.70 114.50 2wxh s SER 208 Ca 0.10 -0.21 0.37 0.00 0.70 0.00 0.00 55.95 56.92 2wxh s SER 208 Cb 0.01 -1.15 1.94 0.00 -1.71 0.00 0.00 66.02 65.11 2wxh s SER 208 CO 0.07 0.17 2.13 0.71 1.20 0.00 0.00 173.24 177.53 2wxh h THR 209 N 2.89 0.00 0.00 6.45 1.35 -0.55 -1.82 112.91 121.23 2wxh h THR 209 Ca -0.48 -0.09 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 2wxh h THR 209 Cb 1.17 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 2wxh h THR 209 CO 0.59 0.00 -0.75 0.07 -0.25 0.00 0.00 175.52 175.18 2wxh h LYS 210 N 0.00 0.00 -7.04 4.72 2.10 -1.94 -2.46 116.57 111.95 2wxh h LYS 210 Ca 0.00 0.00 -0.55 0.00 -2.00 0.00 0.00 60.65 58.10 2wxh h LYS 210 Cb 0.09 0.00 0.13 0.00 -0.90 0.00 0.00 32.23 31.56 2wxh h LYS 210 CO 0.00 0.00 0.62 -0.51 -2.00 0.00 0.00 179.45 177.56 2wxh s ASP 211 N -5.26 5.34 0.60 7.07 1.01 -0.69 -4.54 116.67 120.20 2wxh s ASP 211 Ca 0.02 2.79 -0.13 0.00 0.71 0.00 0.00 52.55 55.94 2wxh s ASP 211 Cb 0.10 -2.64 -0.04 0.00 1.01 0.00 0.00 42.92 41.35 2wxh s ASP 211 CO 0.75 -1.53 1.03 -0.04 0.21 0.00 0.00 175.17 175.59 2wxh s MET 212 N -2.85 3.57 0.39 8.23 -1.94 -1.26 -0.89 119.30 124.54 2wxh s MET 212 Ca 0.70 0.86 0.10 0.00 -1.71 0.00 0.00 55.69 55.64 2wxh s MET 212 Cb -0.41 -2.08 0.88 0.00 2.01 0.00 0.00 34.83 35.23 2wxh s MET 212 CO 0.49 -0.59 1.95 -1.35 -0.01 0.00 0.00 175.02 175.51 2wxh h PRO 213 N -0.03 0.58 -0.98 2.03 0.11 -1.80 -2.59 132.00 129.32 2wxh h PRO 213 Ca -0.45 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.63 2wxh h PRO 213 Cb 1.19 -0.13 -0.05 0.00 0.11 0.00 0.00 31.00 32.12 2wxh h PRO 213 CO 0.61 0.38 0.62 1.25 -0.21 0.00 0.00 178.00 180.65 2wxh h LEU 214 N 0.60 1.15 -0.56 2.35 5.85 -1.94 -0.02 115.31 122.74 2wxh h LEU 214 Ca 0.33 -0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 2wxh h LEU 214 Cb 0.48 -0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.20 2wxh h LEU 214 CO -0.11 0.86 0.09 0.00 -0.34 0.00 0.00 178.44 178.93 2wxh h ALA 215 N 1.34 0.75 -0.59 1.25 0.00 -1.86 0.76 119.26 120.91 2wxh h ALA 215 Ca 0.36 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 2wxh h ALA 215 Cb -0.11 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.45 2wxh h ALA 215 CO -0.07 0.50 0.16 1.25 0.00 0.00 0.00 179.25 181.08 2wxh h LEU 216 N 0.83 0.88 -1.15 0.00 6.46 -1.34 -1.76 115.31 119.23 2wxh h LEU 216 Ca 0.17 -0.22 -0.08 0.00 -0.12 0.00 0.00 57.88 57.63 2wxh h LEU 216 Cb 0.42 -0.23 -0.01 0.00 -0.73 0.00 0.00 40.66 40.10 2wxh h LEU 216 CO 0.01 0.88 -0.24 0.24 -0.62 0.00 0.00 178.44 178.71 2wxh h MET 217 N 0.85 0.30 0.26 1.25 2.86 -0.78 -1.88 114.93 117.80 2wxh h MET 217 Ca 0.19 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.72 2wxh h MET 217 Cb 0.33 -0.03 0.00 0.00 0.06 0.00 0.00 31.60 31.97 2wxh h MET 217 CO -0.00 0.53 -0.12 0.00 1.06 0.00 0.00 176.91 178.37 2wxh h ALA 218 N 1.49 -0.35 -0.40 6.32 0.00 -0.47 -1.37 119.26 124.47 2wxh h ALA 218 Ca 0.04 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2wxh h ALA 218 Cb 0.57 0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2wxh h ALA 218 CO 0.04 -0.66 0.07 0.00 0.00 0.00 0.00 179.25 178.70 2wxh h ALA 220 N 1.31 0.31 -0.14 0.00 0.00 -1.27 -0.68 119.26 118.79 2wxh h ALA 220 Ca 0.20 0.13 -0.15 0.00 0.00 0.00 0.00 54.91 55.08 2wxh h ALA 220 Cb 0.24 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2wxh h ALA 220 CO -0.26 -0.42 -0.55 -0.07 0.00 0.00 0.00 179.25 177.95 2wxh h LEU 221 N 0.06 0.47 -0.55 0.00 3.38 -0.89 -1.59 115.31 116.19 2wxh h LEU 221 Ca 0.19 -0.25 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2wxh h LEU 221 Cb 0.27 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wxh h LEU 221 CO -0.35 0.92 0.22 0.03 0.09 0.00 0.00 178.44 179.36 2wxh h ARG 222 N 0.32 0.81 -0.30 1.13 3.08 -0.91 -2.12 114.38 116.40 2wxh h ARG 222 Ca 0.00 -0.14 -0.03 0.00 0.07 0.00 0.00 59.98 59.88 2wxh h ARG 222 Cb 1.07 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 30.97 2wxh h ARG 222 CO 0.10 0.70 0.05 0.87 -1.07 0.00 0.00 179.97 180.62 2wxh h LYS 223 N 0.74 0.49 -0.71 0.04 1.79 -0.88 -2.77 116.57 115.26 2wxh h LYS 223 Ca 0.18 -0.13 0.01 0.00 -2.18 0.00 0.00 60.65 58.53 2wxh h LYS 223 Cb 0.19 -0.06 -0.04 0.00 -1.58 0.00 0.00 32.23 30.75 2wxh h LYS 223 CO -0.02 0.58 0.47 -0.22 -1.08 0.00 0.00 179.45 179.19 2wxh h LYS 224 N 0.31 0.93 -0.49 3.15 3.64 -1.28 -2.41 116.57 120.42 2wxh h LYS 224 Ca 0.09 -0.06 -0.05 0.00 -1.27 0.00 0.00 60.65 59.37 2wxh h LYS 224 Cb 0.33 -0.21 -0.02 0.00 -0.41 0.00 0.00 32.23 31.92 2wxh h LYS 224 CO 0.00 0.61 0.11 0.00 -2.27 0.00 0.00 179.45 177.91 2wxh h ALA 225 N 1.56 1.28 0.01 5.00 0.00 -1.12 0.50 119.26 126.49 2wxh h ALA 225 Ca 0.26 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 2wxh h ALA 225 Cb -0.10 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 17.50 2wxh h ALA 225 CO -0.06 0.50 -0.21 1.79 0.00 0.00 0.00 179.25 181.27 2wxh h THR 226 N 0.71 1.58 -0.11 0.00 1.35 -1.21 1.55 112.91 116.79 2wxh h THR 226 Ca 0.16 -2.00 -0.01 0.00 -0.55 0.00 0.00 66.41 64.01 2wxh h THR 226 Cb 0.28 2.87 -0.01 0.00 -1.73 0.00 0.00 68.15 69.56 2wxh h THR 226 CO -0.00 0.54 0.05 0.58 -0.25 0.00 0.00 175.52 176.44 2wxh h VAL 227 N -0.59 1.14 -1.16 6.82 2.07 -1.43 -3.05 116.25 120.05 2wxh h VAL 227 Ca -0.03 -0.42 -0.60 0.00 0.82 0.00 0.00 66.70 66.47 2wxh h VAL 227 Cb 1.00 1.21 -0.24 0.00 -1.52 0.00 0.00 31.29 31.75 2wxh h VAL 227 CO 0.04 0.13 0.76 0.33 0.02 0.00 0.00 177.57 178.85 2wxh n PHE 228 N -4.91 2.57 -0.59 1.57 7.35 0.18 -4.93 117.46 118.69 2wxh n PHE 228 Ca -0.05 -2.47 -0.01 0.00 -0.76 0.00 0.00 57.45 54.16 2wxh n PHE 228 Cb 0.11 -1.28 -0.00 0.00 0.35 0.00 0.00 39.48 38.66 2wxh n PHE 228 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 2wxh n ARG 229 N -0.28 -1.92 -1.80 -4.13 5.12 -0.60 -4.75 116.66 108.29 2wxh n ARG 229 Ca 0.52 0.29 0.00 0.00 -1.93 0.00 0.00 57.85 56.73 2wxh n ARG 229 Cb 0.52 -3.89 0.00 0.00 -1.16 0.00 0.00 32.46 27.93 2wxh n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxh n GLN 230 N 0.29 -4.67 -3.65 5.56 7.27 0.52 -4.96 117.38 117.74 2wxh n GLN 230 Ca -0.01 3.41 -0.27 0.00 0.07 0.00 0.00 57.00 60.20 2wxh n GLN 230 Cb 0.27 -3.85 -0.17 0.00 2.41 0.00 0.00 30.24 28.90 2wxh n GLN 230 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2wxh s GLN 235 N -2.59 0.27 0.30 3.69 2.00 -1.26 -5.10 119.66 116.97 2wxh s GLN 235 Ca 0.00 -0.21 0.02 0.00 -2.00 0.00 0.00 55.36 53.17 2wxh s GLN 235 Cb 0.00 -1.93 0.59 0.00 0.80 0.00 0.00 33.01 32.48 2wxh s GLN 235 CO 0.00 -0.67 1.85 -1.35 -0.50 0.00 0.00 175.29 174.62 2wxh h PRO 236 N 8.36 0.93 0.00 1.67 0.11 -1.92 -1.05 132.00 140.09 2wxh h PRO 236 Ca -0.15 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wxh h PRO 236 Cb 1.14 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 32.04 2wxh h PRO 236 CO 0.31 0.61 0.00 0.39 -0.21 0.00 0.00 178.00 179.10 2wxh n GLU 237 N -4.60 0.01 -0.03 1.05 4.71 -1.26 -1.42 120.64 119.11 2wxh n GLU 237 Ca 0.18 0.41 0.13 0.00 -0.01 0.00 0.00 57.16 57.87 2wxh n GLU 237 Cb 0.36 -1.50 0.46 0.00 -1.01 0.00 0.00 31.44 29.75 2wxh n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxh n GLU 238 N -1.45 1.72 -4.37 3.49 -0.58 -0.40 -4.95 120.64 114.10 2wxh n GLU 238 Ca 0.01 -1.06 -0.21 0.00 -0.42 0.00 0.00 57.16 55.48 2wxh n GLU 238 Cb 0.03 -1.45 -0.10 0.00 -0.57 0.00 0.00 31.44 29.35 2wxh n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxh s TYR 239 N -1.93 1.87 0.10 -0.32 2.02 -0.50 -0.71 117.35 117.88 2wxh s TYR 239 Ca 0.36 -0.49 0.05 0.00 -0.37 0.00 0.00 57.07 56.62 2wxh s TYR 239 Cb 0.20 -0.87 -0.03 0.00 -0.40 0.00 0.00 41.96 40.85 2wxh s TYR 239 CO 0.31 0.43 -0.14 0.00 -1.57 0.00 0.00 175.55 174.58 2wxh s ALA 240 N -2.60 1.34 -0.28 3.71 0.00 -0.28 -4.97 121.76 118.68 2wxh s ALA 240 Ca 0.22 -1.18 -0.12 0.00 0.00 0.00 0.00 51.96 50.87 2wxh s ALA 240 Cb -0.03 -0.07 -0.04 0.00 0.00 0.00 0.00 23.12 22.97 2wxh s ALA 240 CO 0.08 0.11 0.26 -0.51 0.00 0.00 0.00 175.76 175.70 2wxh s LEU 241 N -2.21 4.05 0.05 0.00 1.43 -0.74 -0.46 118.68 120.80 2wxh s LEU 241 Ca 0.05 0.07 -0.18 0.00 -1.03 0.00 0.00 54.13 53.05 2wxh s LEU 241 Cb -0.06 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.86 2wxh s LEU 241 CO 0.02 -0.11 0.51 -1.58 0.23 0.00 0.00 176.35 175.42 2wxh s GLN 242 N 1.87 4.09 0.03 1.70 0.74 0.67 0.10 119.66 128.86 2wxh s GLN 242 Ca 0.10 0.61 -0.30 0.00 0.05 0.00 0.00 55.36 55.82 2wxh s GLN 242 Cb -0.16 -3.22 -0.05 0.00 1.10 0.00 0.00 33.01 30.67 2wxh s GLN 242 CO 0.11 0.66 1.25 0.08 -0.55 0.00 0.00 175.29 176.84 2wxh s VAL 243 N -1.11 3.95 0.09 1.34 1.01 0.03 -0.25 120.40 125.46 2wxh s VAL 243 Ca 0.27 1.36 -0.34 0.00 0.00 0.00 0.00 61.98 63.27 2wxh s VAL 243 Cb -0.18 -3.88 -0.14 0.00 0.00 0.00 0.00 36.38 32.18 2wxh s VAL 243 CO 0.17 0.06 1.62 0.59 0.00 0.00 0.00 175.10 177.55 2wxh n ASN 244 N 4.45 3.00 0.00 3.32 4.13 -0.80 -1.77 115.26 127.59 2wxh n ASN 244 Ca 0.10 1.06 0.00 0.00 1.68 0.00 0.00 54.58 57.43 2wxh n ASN 244 Cb 0.45 -1.38 0.00 0.00 -1.54 0.00 0.00 39.78 37.31 2wxh n ASN 244 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2wxh n GLY 245 N 3.56 0.55 3.27 7.41 0.00 -1.25 -4.42 105.19 114.30 2wxh n GLY 245 Ca 0.19 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.00 2wxh n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxh s ARG 246 N -0.30 1.08 -1.34 1.61 0.52 -0.73 -4.34 118.95 115.46 2wxh s ARG 246 Ca 0.00 -1.22 -0.10 0.00 -0.52 0.00 0.00 55.73 53.89 2wxh s ARG 246 Cb 0.00 -1.13 0.12 0.00 0.52 0.00 0.00 34.95 34.46 2wxh s ARG 246 CO 0.00 0.24 2.07 0.72 0.02 0.00 0.00 175.30 178.35 2wxh n HIS 247 N 0.73 2.99 -3.75 -0.53 8.25 -0.33 -4.53 115.22 118.05 2wxh n HIS 247 Ca -0.17 -2.85 -0.12 0.00 -0.26 0.00 0.00 57.72 54.32 2wxh n HIS 247 Cb 0.56 -2.10 -0.12 0.00 1.12 0.00 0.00 29.99 29.46 2wxh n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxh s GLU 248 N 0.91 0.32 0.05 -0.41 2.12 -1.26 -4.58 118.70 115.85 2wxh s GLU 248 Ca 0.44 0.51 0.05 0.00 0.36 0.00 0.00 54.97 56.33 2wxh s GLU 248 Cb 0.12 0.07 -0.02 0.00 0.26 0.00 0.00 34.13 34.55 2wxh s GLU 248 CO -0.03 -0.09 -0.13 0.71 -0.54 0.00 0.00 175.26 175.18 2wxh s TYR 249 N 0.65 1.13 -0.22 5.30 1.51 -1.26 -0.79 117.35 123.67 2wxh s TYR 249 Ca -0.04 -0.40 -0.04 0.00 -1.01 0.00 0.00 57.07 55.58 2wxh s TYR 249 Cb -0.05 -0.66 -0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2wxh s TYR 249 CO -0.04 0.03 -0.03 -0.51 -1.11 0.00 0.00 175.55 173.89 2wxh s LEU 250 N -1.36 2.97 0.23 -1.29 1.02 0.28 -4.74 118.68 115.80 2wxh s LEU 250 Ca -0.01 -0.37 -0.22 0.00 0.02 0.00 0.00 54.13 53.56 2wxh s LEU 250 Cb -0.09 -1.76 0.04 0.00 0.02 0.00 0.00 46.19 44.40 2wxh s LEU 250 CO 0.01 -0.02 0.71 -0.72 0.02 0.00 0.00 176.35 176.36 2wxh s TYR 251 N 1.48 -0.28 0.00 0.29 -0.85 -1.26 -1.79 117.35 114.95 2wxh s TYR 251 Ca 0.06 -0.10 0.00 0.00 -0.52 0.00 0.00 57.07 56.51 2wxh s TYR 251 Cb -0.14 0.66 0.00 0.00 0.38 0.00 0.00 41.96 42.86 2wxh s TYR 251 CO -0.02 -1.10 0.00 0.41 -1.52 0.00 0.00 175.55 173.32 2wxh n GLY 252 N -0.44 0.77 3.53 5.49 0.00 -1.26 -4.76 105.19 108.53 2wxh n GLY 252 Ca -0.08 -1.92 -0.43 0.00 0.00 0.00 0.00 46.02 43.59 2wxh n GLY 252 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxh n ASN 253 N -0.41 5.05 -3.82 1.61 3.02 -1.26 -4.52 115.26 114.93 2wxh n ASN 253 Ca 0.00 -2.94 -0.13 0.00 -0.03 0.00 0.00 54.58 51.48 2wxh n ASN 253 Cb 0.00 -1.68 -0.14 0.00 -0.61 0.00 0.00 39.78 37.35 2wxh n ASN 253 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 2wxh s TYR 254 N 3.19 -0.10 0.60 3.10 2.02 -1.26 -5.12 117.35 119.78 2wxh s TYR 254 Ca 0.50 0.28 -0.20 0.00 -0.37 0.00 0.00 57.07 57.28 2wxh s TYR 254 Cb 0.01 -0.01 -0.03 0.00 -0.40 0.00 0.00 41.96 41.53 2wxh s TYR 254 CO 0.05 -0.07 1.30 -1.25 -1.57 0.00 0.00 175.55 174.01 2wxh s PRO 255 N 0.35 2.85 0.40 -1.71 0.04 -1.26 -4.10 135.00 131.57 2wxh s PRO 255 Ca -0.03 2.09 0.17 0.00 0.04 0.00 0.00 61.00 63.28 2wxh s PRO 255 Cb -0.04 -2.02 1.06 0.00 0.04 0.00 0.00 34.50 33.54 2wxh s PRO 255 CO -0.01 -1.37 1.81 -0.07 0.04 0.00 0.00 177.00 177.39 2wxh h LEU 256 N 0.96 0.46 0.00 -3.56 3.38 -0.78 -0.11 115.31 115.67 2wxh h LEU 256 Ca -0.51 0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.52 2wxh h LEU 256 Cb 1.32 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.05 2wxh h LEU 256 CO 0.55 0.14 0.00 0.00 0.09 0.00 0.00 178.44 179.22 2wxh n HIS 258 N -1.34 0.81 -3.00 0.00 8.25 -0.05 -4.46 115.22 115.42 2wxh n HIS 258 Ca 0.11 0.25 -0.40 0.00 -0.26 0.00 0.00 57.72 57.43 2wxh n HIS 258 Cb 0.23 -0.91 -0.05 0.00 1.12 0.00 0.00 29.99 30.39 2wxh n HIS 258 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wxh s PHE 259 N -3.14 3.65 0.34 4.41 0.08 -0.83 -1.29 117.98 121.20 2wxh s PHE 259 Ca 0.10 1.36 0.04 0.00 0.12 0.00 0.00 56.93 58.55 2wxh s PHE 259 Cb 0.12 -2.82 0.66 0.00 -0.57 0.00 0.00 43.02 40.41 2wxh s PHE 259 CO 0.54 0.16 1.93 1.96 -0.10 0.00 0.00 175.22 179.71 2wxh h GLN 260 N 6.31 0.84 -0.06 0.44 4.20 -1.34 -1.14 115.11 124.37 2wxh h GLN 260 Ca -0.42 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.23 2wxh h GLN 260 Cb 1.20 -0.19 -0.00 0.00 0.30 0.00 0.00 27.48 28.79 2wxh h GLN 260 CO 0.73 0.56 0.03 -0.92 -0.67 0.00 0.00 178.83 178.55 2wxh h TYR 261 N 0.86 0.08 -0.69 2.96 3.20 -1.93 0.10 116.97 121.56 2wxh h TYR 261 Ca 0.36 -0.00 -0.03 0.00 3.14 0.00 0.00 58.73 62.19 2wxh h TYR 261 Cb 0.27 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.48 2wxh h TYR 261 CO -0.00 0.19 0.33 0.82 -1.64 0.00 0.00 178.16 177.85 2wxh h ILE 262 N -0.04 1.23 -0.13 1.81 1.08 -1.64 -1.74 117.51 118.08 2wxh h ILE 262 Ca 0.02 -0.66 0.04 0.00 -0.39 0.00 0.00 64.86 63.87 2wxh h ILE 262 Cb 0.14 0.39 -0.05 0.00 -3.07 0.00 0.00 36.82 34.22 2wxh h ILE 262 CO -0.00 0.27 -0.17 0.00 -0.69 0.00 0.00 178.15 177.56 2wxh h SER 264 N -0.22 -0.42 -0.77 0.00 0.87 -0.34 -1.94 113.55 110.71 2wxh h SER 264 Ca 0.10 0.13 0.04 0.00 -1.23 0.00 0.00 61.79 60.83 2wxh h SER 264 Cb 0.36 0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.55 2wxh h SER 264 CO -0.26 -0.15 0.48 0.00 -0.53 0.00 0.00 176.83 176.37 2wxh h LEU 266 N 0.91 0.29 -0.82 0.00 3.38 -0.97 0.27 115.31 118.36 2wxh h LEU 266 Ca 0.32 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2wxh h LEU 266 Cb 0.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2wxh h LEU 266 CO -0.14 0.23 -0.58 0.45 0.09 0.00 0.00 178.44 178.49 2wxh h HIS 267 N 0.32 0.00 0.00 1.13 3.86 -1.31 -3.21 115.15 115.94 2wxh h HIS 267 Ca 0.09 0.00 -0.12 0.00 -1.16 0.00 0.00 60.37 59.18 2wxh h HIS 267 Cb -0.01 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.44 2wxh h HIS 267 CO -0.05 0.58 -0.93 0.66 0.86 0.00 0.00 177.93 179.05 2wxh h SER 268 N 0.00 0.00 0.00 2.45 4.64 -1.11 -3.48 113.55 116.05 2wxh h SER 268 Ca -0.01 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 2wxh h SER 268 Cb 1.04 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.13 2wxh h SER 268 CO 0.08 0.46 0.00 0.61 -0.87 0.00 0.00 176.83 177.10 2wxh n GLY 269 N 1.29 2.60 3.49 -0.77 0.00 0.91 -5.08 105.19 107.64 2wxh n GLY 269 Ca -0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 46.02 45.17 2wxh n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxh n LEU 270 N 0.00 0.79 -4.62 0.99 4.32 -1.03 -4.86 117.00 112.59 2wxh n LEU 270 Ca 0.00 0.32 -0.38 0.00 -0.02 0.00 0.00 56.01 55.93 2wxh n LEU 270 Cb 0.00 -1.28 -0.10 0.00 -1.62 0.00 0.00 43.42 40.42 2wxh n LEU 270 CO 0.00 -3.12 -0.07 -0.89 -1.22 0.00 0.00 177.39 172.09 2wxh s THR 271 N -2.47 5.27 0.08 -5.08 2.01 -1.26 -4.52 115.64 109.68 2wxh s THR 271 Ca 0.60 0.35 -0.35 0.00 0.31 0.00 0.00 61.69 62.61 2wxh s THR 271 Cb -0.21 -3.60 -0.14 0.00 0.01 0.00 0.00 72.50 68.56 2wxh s THR 271 CO 0.64 0.24 1.61 -2.65 -0.69 0.00 0.00 174.62 173.77 2wxh n PRO 272 N 4.93 1.98 -3.98 4.92 -0.02 -1.25 -4.80 135.00 136.78 2wxh n PRO 272 Ca -0.12 0.72 -0.34 0.00 -2.02 0.00 0.00 63.50 61.74 2wxh n PRO 272 Cb 0.51 -2.48 -0.15 0.00 -0.02 0.00 0.00 33.50 31.37 2wxh n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxh s HIS 273 N 1.58 2.99 0.15 6.00 3.76 -1.26 -0.48 115.29 128.02 2wxh s HIS 273 Ca 0.83 -1.42 0.06 0.00 -0.15 0.00 0.00 55.06 54.38 2wxh s HIS 273 Cb -0.73 -2.04 -0.04 0.00 1.11 0.00 0.00 32.58 30.87 2wxh s HIS 273 CO 0.43 -0.70 -0.13 -0.51 -0.85 0.00 0.00 174.74 172.98 2wxh s LEU 274 N 1.36 2.47 -0.12 0.89 1.43 0.36 -1.90 118.68 123.17 2wxh s LEU 274 Ca 0.02 -0.91 0.01 0.00 -1.03 0.00 0.00 54.13 52.23 2wxh s LEU 274 Cb -0.15 -0.52 0.02 0.00 0.03 0.00 0.00 46.19 45.56 2wxh s LEU 274 CO -0.06 -0.20 -0.13 -0.89 0.23 0.00 0.00 176.35 175.30 2wxh s THR 275 N -2.62 1.42 -0.19 5.49 2.01 0.66 -1.71 115.64 120.69 2wxh s THR 275 Ca 0.14 -0.57 -0.29 0.00 0.31 0.00 0.00 61.69 61.28 2wxh s THR 275 Cb -0.02 -1.32 -0.04 0.00 0.01 0.00 0.00 72.50 71.13 2wxh s THR 275 CO 0.03 0.43 1.79 -0.04 -0.69 0.00 0.00 174.62 176.14 2wxh s MET 276 N 1.22 3.69 -0.18 4.92 -1.94 0.11 -0.24 119.30 126.88 2wxh s MET 276 Ca -0.02 1.84 -0.01 0.00 -1.71 0.00 0.00 55.69 55.79 2wxh s MET 276 Cb -0.14 -4.13 -0.00 0.00 2.01 0.00 0.00 34.83 32.57 2wxh s MET 276 CO -0.05 -1.44 -0.11 0.08 -0.01 0.00 0.00 175.02 173.50 2wxh s VAL 277 N 5.78 2.97 0.53 -6.03 1.01 0.39 -2.45 120.40 122.60 2wxh s VAL 277 Ca 0.80 -0.65 -0.18 0.00 0.00 0.00 0.00 61.98 61.94 2wxh s VAL 277 Cb -0.29 -2.29 -0.07 0.00 0.00 0.00 0.00 36.38 33.73 2wxh s VAL 277 CO 0.32 0.48 1.04 -2.28 0.00 0.00 0.00 175.10 174.67 2wxh s HIS 278 N 1.03 3.05 0.40 5.22 2.46 -1.26 -1.12 115.29 125.06 2wxh s HIS 278 Ca -0.01 1.54 0.10 0.00 0.47 0.00 0.00 55.06 57.16 2wxh s HIS 278 Cb -0.15 -3.01 0.89 0.00 -0.13 0.00 0.00 32.58 30.19 2wxh s HIS 278 CO -0.02 -0.87 1.97 0.66 -2.47 0.00 0.00 174.74 174.01 2wxh h SER 279 N 1.06 0.51 0.29 9.88 4.64 -1.30 -1.86 113.55 126.78 2wxh h SER 279 Ca -0.48 0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.76 2wxh h SER 279 Cb 1.22 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 63.19 2wxh h SER 279 CO 0.59 0.32 -0.36 0.77 -0.87 0.00 0.00 176.83 177.28 2wxh h SER 280 N 0.57 0.10 -0.40 4.97 4.64 -1.93 -0.78 113.55 120.72 2wxh h SER 280 Ca 0.30 -0.04 -0.09 0.00 -0.47 0.00 0.00 61.79 61.49 2wxh h SER 280 Cb 0.41 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 62.46 2wxh h SER 280 CO -0.09 0.46 -0.09 -1.28 -0.87 0.00 0.00 176.83 174.95 2wxh h SER 281 N 0.09 0.78 -0.59 4.97 0.87 -1.73 -1.96 113.55 115.98 2wxh h SER 281 Ca 0.01 -0.36 -0.02 0.00 -1.23 0.00 0.00 61.79 60.19 2wxh h SER 281 Cb 0.68 -0.21 -0.03 0.00 -0.44 0.00 0.00 62.40 62.40 2wxh h SER 281 CO 0.05 0.96 0.27 0.40 -0.53 0.00 0.00 176.83 177.99 2wxh h ILE 282 N 0.59 1.21 -0.10 2.23 2.04 -1.18 -2.30 117.51 120.00 2wxh h ILE 282 Ca 0.10 -0.61 -0.07 0.00 1.00 0.00 0.00 64.86 65.29 2wxh h ILE 282 Cb 0.62 0.53 -0.01 0.00 -0.74 0.00 0.00 36.82 37.21 2wxh h ILE 282 CO 0.04 0.25 -0.24 -0.07 0.00 0.00 0.00 178.15 178.12 2wxh h LEU 283 N 0.80 0.17 -0.95 1.44 3.38 -1.11 -2.04 115.31 117.00 2wxh h LEU 283 Ca 0.20 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.07 2wxh h LEU 283 Cb 0.13 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2wxh h LEU 283 CO -0.02 0.42 0.18 0.00 0.09 0.00 0.00 178.44 179.11 2wxh h ALA 284 N 1.59 1.15 -0.22 1.53 0.00 -0.92 -0.24 119.26 122.15 2wxh h ALA 284 Ca 0.03 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 2wxh h ALA 284 Cb 0.52 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2wxh h ALA 284 CO 0.04 0.58 0.05 0.52 0.00 0.00 0.00 179.25 180.44 2wxh h MET 285 N 0.92 0.35 -0.10 0.00 2.86 -0.86 -1.85 114.93 116.24 2wxh h MET 285 Ca 0.20 -0.09 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2wxh h MET 285 Cb 0.28 -0.05 -0.06 0.00 0.06 0.00 0.00 31.60 31.84 2wxh h MET 285 CO -0.01 0.47 -0.27 -0.09 1.06 0.00 0.00 176.91 178.07 2wxh h ARG 286 N 0.17 -0.35 -0.62 1.72 2.43 -1.16 -2.89 114.38 113.69 2wxh h ARG 286 Ca 0.07 0.02 -0.02 0.00 -0.81 0.00 0.00 59.98 59.24 2wxh h ARG 286 Cb 0.28 0.08 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 2wxh h ARG 286 CO 0.00 -0.23 0.31 -0.44 -1.51 0.00 0.00 179.97 178.10 2wxh h ASP 287 N -0.36 0.80 0.44 -3.80 3.32 -0.99 -1.33 116.42 114.50 2wxh h ASP 287 Ca 0.09 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2wxh h ASP 287 Cb 0.50 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.84 2wxh h ASP 287 CO -0.31 0.69 0.00 -1.84 -1.72 0.00 0.00 179.24 176.07 2wxh n GLU 288 N -4.52 0.05 -0.67 3.56 0.28 -0.70 -2.83 120.64 115.81 2wxh n GLU 288 Ca 0.04 0.35 0.08 0.00 -0.16 0.00 0.00 57.16 57.47 2wxh n GLU 288 Cb 0.11 -1.60 0.35 0.00 1.43 0.00 0.00 31.44 31.73 2wxh n GLU 288 CO 0.00 0.00 0.00 1.04 -0.16 0.00 0.00 177.13 178.01 2wxh n GLN 289 N -1.69 4.01 -2.45 3.44 6.02 -0.50 -5.00 117.38 121.20 2wxh n GLN 289 Ca 0.02 -2.95 -0.39 0.00 -0.01 0.00 0.00 57.00 53.67 2wxh n GLN 289 Cb 0.15 -2.00 -0.04 0.00 1.02 0.00 0.00 30.24 29.37 2wxh n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxh s SER 290 N -1.05 7.03 0.00 1.08 1.04 -1.13 -4.46 113.70 116.21 2wxh s SER 290 Ca 0.50 2.25 0.00 0.00 0.48 0.00 0.00 55.95 59.17 2wxh s SER 290 Cb 0.35 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2wxh s SER 290 CO 0.18 -0.31 0.00 0.59 0.98 0.00 0.00 173.24 174.68 2wxh n ASN 291 N 0.74 0.00 -0.60 7.02 5.03 -1.26 -4.81 115.26 121.38 2wxh n ASN 291 Ca 0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.46 2wxh n ASN 291 Cb 0.46 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.22 2wxh n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxh n LEU 316 N 0.00 0.00 0.22 3.41 -0.00 -1.26 -5.06 117.00 114.31 2wxh n LEU 316 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 56.01 56.08 2wxh n LEU 316 Cb 0.00 0.00 0.38 0.00 -0.00 0.00 0.00 43.42 43.80 2wxh n LEU 316 CO 0.00 0.00 0.89 4.11 -0.00 0.00 0.00 177.39 182.39 2wxh h TRP 317 N 0.60 0.00 0.00 1.47 5.08 -1.94 -2.74 115.95 118.42 2wxh h TRP 317 Ca 0.00 0.00 -0.11 0.00 1.08 0.00 0.00 58.89 59.86 2wxh h TRP 317 Cb 0.00 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.14 2wxh h TRP 317 CO 0.00 0.00 -0.54 0.77 -1.28 0.00 0.00 178.44 177.39 2wxh h SER 318 N 0.00 0.00 -3.53 0.11 0.02 -1.98 -3.45 113.55 104.71 2wxh h SER 318 Ca 0.00 0.00 -0.65 0.00 -0.84 0.00 0.00 61.79 60.30 2wxh h SER 318 Cb 0.90 0.00 -0.15 0.00 0.14 0.00 0.00 62.40 63.29 2wxh h SER 318 CO 0.00 0.54 0.18 -0.76 -1.14 0.00 0.00 176.83 175.65 2wxh s LEU 319 N -6.69 4.49 -0.01 5.07 1.43 -1.03 -4.88 118.68 117.06 2wxh s LEU 319 Ca 0.02 -0.37 0.20 0.00 -1.03 0.00 0.00 54.13 52.95 2wxh s LEU 319 Cb 0.09 -2.74 -0.27 0.00 0.03 0.00 0.00 46.19 43.30 2wxh s LEU 319 CO 0.74 -0.84 0.64 -0.62 0.23 0.00 0.00 176.35 176.50 2wxh n GLU 320 N 6.40 0.52 -1.70 1.70 1.02 -1.26 -0.28 120.64 127.03 2wxh n GLU 320 Ca -0.01 -0.10 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 2wxh n GLU 320 Cb 0.48 -1.47 0.01 0.00 -0.02 0.00 0.00 31.44 30.44 2wxh n GLU 320 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxh n GLN 321 N -1.85 1.96 -1.98 3.49 0.00 -1.26 -4.51 117.38 113.22 2wxh n GLN 321 Ca -0.00 0.70 -0.42 0.00 0.00 0.00 0.00 57.00 57.27 2wxh n GLN 321 Cb 0.43 -2.39 -0.03 0.00 0.00 0.00 0.00 30.24 28.24 2wxh n GLN 321 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.06 174.92 2wxh s PRO 322 N -2.20 4.23 0.43 2.61 0.02 -1.26 -2.19 135.00 136.64 2wxh s PRO 322 Ca 0.61 2.29 -0.25 0.00 0.02 0.00 0.00 61.00 63.67 2wxh s PRO 322 Cb -0.51 -3.26 -0.10 0.00 0.02 0.00 0.00 34.50 30.65 2wxh s PRO 322 CO 0.58 -0.60 1.20 0.34 -0.33 0.00 0.00 177.00 178.19 2wxh n PHE 323 N 4.30 1.85 -3.60 6.54 7.35 0.41 -4.64 117.46 129.66 2wxh n PHE 323 Ca 0.14 0.52 -0.12 0.00 -0.76 0.00 0.00 57.45 57.22 2wxh n PHE 323 Cb 0.40 -2.33 -0.05 0.00 0.35 0.00 0.00 39.48 37.85 2wxh n PHE 323 CO 0.00 0.00 0.00 -1.54 -0.76 0.00 0.00 176.76 174.46 2wxh s SER 324 N -0.62 -0.35 0.20 -2.13 1.04 -1.26 0.17 113.70 110.74 2wxh s SER 324 Ca 0.62 -0.04 0.00 0.00 0.48 0.00 0.00 55.95 57.02 2wxh s SER 324 Cb -0.52 0.48 -0.04 0.00 0.10 0.00 0.00 66.02 66.04 2wxh s SER 324 CO 0.57 -0.77 0.07 0.27 0.98 0.00 0.00 173.24 174.36 2wxh s ILE 325 N -3.01 0.35 -0.23 -1.02 -4.36 -0.14 -4.51 121.20 108.29 2wxh s ILE 325 Ca -0.02 -1.98 -0.03 0.00 -0.26 0.00 0.00 60.65 58.37 2wxh s ILE 325 Cb 0.00 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.36 2wxh s ILE 325 CO -0.06 -0.21 -0.06 -0.70 0.24 0.00 0.00 174.94 174.14 2wxh s GLU 326 N -4.04 3.16 -0.47 0.37 2.12 0.54 0.34 118.70 120.72 2wxh s GLU 326 Ca 0.32 -0.76 -0.27 0.00 0.36 0.00 0.00 54.97 54.62 2wxh s GLU 326 Cb 0.07 -2.96 0.03 0.00 0.26 0.00 0.00 34.13 31.53 2wxh s GLU 326 CO 0.08 -0.27 1.02 -1.17 -0.54 0.00 0.00 175.26 174.39 2wxh s LEU 327 N 1.41 3.83 0.00 2.70 2.96 -0.56 0.98 118.68 130.00 2wxh s LEU 327 Ca 0.04 0.26 0.00 0.00 -0.22 0.00 0.00 54.13 54.21 2wxh s LEU 327 Cb -0.15 -3.35 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2wxh s LEU 327 CO -0.05 -1.15 0.00 -0.38 -1.32 0.00 0.00 176.35 173.45 2wxh n ILE 328 N 6.62 0.00 -3.85 6.68 5.41 -0.41 -0.52 119.36 133.29 2wxh n ILE 328 Ca 0.09 0.33 -0.08 0.00 1.00 0.00 0.00 62.75 64.09 2wxh n ILE 328 Cb 0.49 -1.06 -0.00 0.00 -0.71 0.00 0.00 39.64 38.36 2wxh n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxh s GLU 329 N -0.66 1.97 0.26 0.38 -1.05 -1.17 0.11 118.70 118.53 2wxh s GLU 329 Ca 0.00 -1.22 0.05 0.00 -0.15 0.00 0.00 54.97 53.65 2wxh s GLU 329 Cb 0.00 0.60 -0.02 0.00 -0.44 0.00 0.00 34.13 34.27 2wxh s GLU 329 CO 0.00 -0.91 0.20 0.41 0.95 0.00 0.00 175.26 175.91 2wxh n GLY 330 N -0.49 3.22 2.94 -3.83 0.00 0.85 -0.68 105.19 107.20 2wxh n GLY 330 Ca -0.06 -1.86 -0.07 0.00 0.00 0.00 0.00 46.02 44.03 2wxh n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wxh s ARG 331 N -3.03 0.83 0.00 1.61 1.70 -0.88 -2.75 118.95 116.43 2wxh s ARG 331 Ca 0.28 -0.71 0.00 0.00 -0.47 0.00 0.00 55.73 54.83 2wxh s ARG 331 Cb 0.01 -0.26 0.00 0.00 -0.57 0.00 0.00 34.95 34.13 2wxh s ARG 331 CO 0.20 -1.23 0.00 0.36 -1.08 0.00 0.00 175.30 173.55 2wxh n LYS 332 N 3.97 2.49 -3.60 3.89 -0.00 -1.26 -3.57 118.16 120.09 2wxh n LYS 332 Ca 0.14 0.00 -0.15 0.00 -0.00 0.00 0.00 58.31 58.29 2wxh n LYS 332 Cb 0.53 0.00 -0.13 0.00 -0.00 0.00 0.00 35.03 35.42 2wxh n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxh s VAL 333 N -0.38 -0.37 0.12 0.58 1.01 -1.26 -4.68 120.40 115.43 2wxh s VAL 333 Ca 0.00 0.16 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 2wxh s VAL 333 Cb 0.00 -0.50 0.05 0.00 0.00 0.00 0.00 36.38 35.92 2wxh s VAL 333 CO 0.00 0.01 0.65 -3.20 0.00 0.00 0.00 175.10 172.57 2wxh n ASN 334 N 5.34 -1.11 -0.04 3.32 5.15 -1.26 -5.08 115.26 121.58 2wxh n ASN 334 Ca -0.06 -1.58 0.00 0.00 -0.60 0.00 0.00 54.58 52.34 2wxh n ASN 334 Cb 0.50 1.80 0.00 0.00 -0.53 0.00 0.00 39.78 41.55 2wxh n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxh n ALA 335 N -1.58 0.00 0.00 5.20 0.00 -1.26 -5.05 120.51 117.81 2wxh n ALA 335 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wxh n ALA 335 Cb 0.37 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.82 2wxh n ALA 335 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 2wxh n MET 339 N 0.00 0.00 -4.32 0.00 2.00 -1.26 -4.99 117.12 108.55 2wxh n MET 339 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.46 2wxh n MET 339 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 33.22 33.10 2wxh n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxh s LYS 340 N -1.95 1.22 0.12 0.03 3.01 -0.52 -2.67 119.74 118.99 2wxh s LYS 340 Ca 0.00 -1.28 -0.08 0.00 -1.01 0.00 0.00 55.97 53.59 2wxh s LYS 340 Cb 0.00 -1.45 -0.06 0.00 -1.01 0.00 0.00 37.83 35.31 2wxh s LYS 340 CO 0.00 0.32 0.41 -0.51 0.51 0.00 0.00 175.35 176.09 2wxh s LEU 341 N -2.22 4.30 0.00 3.17 1.43 0.18 -1.28 118.68 124.26 2wxh s LEU 341 Ca 0.11 0.75 0.00 0.00 -1.03 0.00 0.00 54.13 53.96 2wxh s LEU 341 Cb -0.08 -3.18 -0.01 0.00 0.03 0.00 0.00 46.19 42.95 2wxh s LEU 341 CO 0.06 0.10 -0.01 -0.69 0.23 0.00 0.00 176.35 176.03 2wxh s VAL 342 N -1.53 0.08 -0.27 -1.59 1.01 -0.60 -1.73 120.40 115.77 2wxh s VAL 342 Ca 0.37 -0.23 -0.05 0.00 0.00 0.00 0.00 61.98 62.07 2wxh s VAL 342 Cb -0.13 -0.12 0.01 0.00 0.00 0.00 0.00 36.38 36.14 2wxh s VAL 342 CO 0.20 -0.10 0.02 -0.69 0.00 0.00 0.00 175.10 174.54 2wxh s VAL 343 N -0.34 3.58 -0.08 2.92 1.01 -1.26 -2.08 120.40 124.15 2wxh s VAL 343 Ca -0.03 -0.71 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 2wxh s VAL 343 Cb -0.02 -2.79 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 2wxh s VAL 343 CO -0.00 0.19 0.39 -1.58 0.00 0.00 0.00 175.10 174.10 2wxh s GLN 344 N 1.46 4.11 0.01 2.72 0.74 0.03 -0.05 119.66 128.67 2wxh s GLN 344 Ca 0.03 0.33 0.05 0.00 0.05 0.00 0.00 55.36 55.81 2wxh s GLN 344 Cb -0.16 -3.33 -0.01 0.00 1.10 0.00 0.00 33.01 30.60 2wxh s GLN 344 CO -0.00 0.42 -0.15 0.00 -0.55 0.00 0.00 175.29 175.01 2wxh s ALA 345 N -0.19 1.27 -0.00 1.58 0.00 -0.84 -0.31 121.76 123.26 2wxh s ALA 345 Ca 0.22 -0.72 -0.09 0.00 0.00 0.00 0.00 51.96 51.38 2wxh s ALA 345 Cb -0.15 -0.29 0.01 0.00 0.00 0.00 0.00 23.12 22.69 2wxh s ALA 345 CO 0.10 0.29 0.17 0.20 0.00 0.00 0.00 175.76 176.52 2wxh s GLY 346 N -0.61 -0.00 -0.17 0.00 0.00 0.01 -2.81 107.32 103.75 2wxh s GLY 346 Ca 0.05 -0.01 -0.08 0.00 0.00 0.00 0.00 44.72 44.68 2wxh s GLY 346 CO 0.00 -0.16 0.10 1.08 0.00 0.00 0.00 173.10 174.12 2wxh s LEU 347 N -1.28 4.05 0.11 0.66 1.43 -1.26 -0.31 118.68 122.08 2wxh s LEU 347 Ca -0.14 0.22 0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2wxh s LEU 347 Cb -0.07 -2.02 -0.04 0.00 0.03 0.00 0.00 46.19 44.10 2wxh s LEU 347 CO 0.02 0.24 -0.16 -0.36 0.23 0.00 0.00 176.35 176.32 2wxh s PHE 348 N -0.03 1.50 -0.40 0.29 0.08 0.38 -1.29 117.98 118.51 2wxh s PHE 348 Ca 0.08 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.65 2wxh s PHE 348 Cb -0.12 -0.80 0.13 0.00 -0.57 0.00 0.00 43.02 41.67 2wxh s PHE 348 CO 0.00 0.17 0.22 -1.58 -0.10 0.00 0.00 175.22 173.93 2wxh s HIS 349 N -1.73 1.53 0.00 0.36 5.65 0.37 -1.50 115.29 119.97 2wxh s HIS 349 Ca 0.07 -2.11 0.00 0.00 0.25 0.00 0.00 55.06 53.27 2wxh s HIS 349 Cb -0.07 -1.55 0.00 0.00 -1.18 0.00 0.00 32.58 29.78 2wxh s HIS 349 CO 0.04 -0.80 0.00 0.41 -0.65 0.00 0.00 174.74 173.73 2wxh n GLY 350 N 3.79 1.20 0.24 1.59 0.00 -1.26 -2.88 105.19 107.86 2wxh n GLY 350 Ca 0.09 -0.56 0.13 0.00 0.00 0.00 0.00 46.02 45.69 2wxh n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxh h ASN 351 N 0.85 0.00 -3.37 1.61 2.35 -1.90 -3.45 115.58 111.68 2wxh h ASN 351 Ca 0.00 0.00 -0.56 0.00 -0.55 0.00 0.00 56.30 55.19 2wxh h ASN 351 Cb 0.00 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2wxh h ASN 351 CO 0.00 0.02 0.09 -1.61 -1.65 0.00 0.00 177.43 174.28 2wxh s GLU 352 N -3.37 4.44 0.26 0.81 8.01 -1.14 -5.05 118.70 122.66 2wxh s GLU 352 Ca 0.05 0.89 -0.30 0.00 0.01 0.00 0.00 54.97 55.63 2wxh s GLU 352 Cb 0.07 -3.45 -0.09 0.00 -4.31 0.00 0.00 34.13 26.35 2wxh s GLU 352 CO 0.63 0.07 1.21 -1.64 0.01 0.00 0.00 175.26 175.54 2wxh s MET 353 N 0.78 4.49 0.00 1.61 -1.94 -1.26 -0.48 119.30 122.50 2wxh s MET 353 Ca 0.38 1.97 0.26 0.00 -1.71 0.00 0.00 55.69 56.59 2wxh s MET 353 Cb -0.18 -3.17 0.72 0.00 2.01 0.00 0.00 34.83 34.21 2wxh s MET 353 CO 0.18 -0.04 1.55 1.28 -0.01 0.00 0.00 175.02 177.98 2wxh n LEU 354 N 1.65 1.37 0.00 -0.03 4.77 -0.41 -4.87 117.00 119.47 2wxh n LEU 354 Ca 0.02 -0.42 0.00 0.00 -0.03 0.00 0.00 56.01 55.58 2wxh n LEU 354 Cb 0.44 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.46 2wxh n LEU 354 CO 0.56 0.24 0.00 0.00 -1.33 0.00 0.00 177.39 176.87 2wxh s LYS 356 N -2.00 1.83 -1.22 0.00 -2.85 -1.26 -4.73 119.74 109.51 2wxh s LYS 356 Ca 0.00 1.51 -0.12 0.00 -1.00 0.00 0.00 55.97 56.36 2wxh s LYS 356 Cb 0.00 -1.82 0.18 0.00 -2.06 0.00 0.00 37.83 34.13 2wxh s LYS 356 CO 0.00 -2.02 1.55 0.25 0.10 0.00 0.00 175.35 175.24 2wxh n THR 357 N -3.41 4.32 -1.60 3.79 -2.24 -1.26 -4.78 114.28 109.10 2wxh n THR 357 Ca 0.12 -4.69 -0.47 0.00 -2.27 0.00 0.00 64.05 56.73 2wxh n THR 357 Cb 0.52 -2.43 -0.03 0.00 -2.10 0.00 0.00 70.33 66.28 2wxh n THR 357 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 2wxh n VAL 358 N 4.07 1.11 -4.38 2.28 0.24 -1.12 -4.59 118.33 115.94 2wxh n VAL 358 Ca 0.37 -0.28 -0.24 0.00 -2.04 0.00 0.00 64.34 62.15 2wxh n VAL 358 Cb 0.40 -0.98 -0.09 0.00 -1.47 0.00 0.00 33.84 31.70 2wxh n VAL 358 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2wxh s SER 359 N -0.06 4.03 0.79 -1.34 0.01 -1.26 -1.98 113.70 113.88 2wxh s SER 359 Ca 0.69 -0.82 -0.11 0.00 1.31 0.00 0.00 55.95 57.02 2wxh s SER 359 Cb -0.79 -0.56 0.06 0.00 0.21 0.00 0.00 66.02 64.95 2wxh s SER 359 CO 0.53 0.03 1.09 -0.44 0.41 0.00 0.00 173.24 174.86 2wxh s SER 360 N -3.47 4.52 0.46 2.44 0.01 0.93 -5.00 113.70 113.60 2wxh s SER 360 Ca 0.30 1.46 -0.22 0.00 1.31 0.00 0.00 55.95 58.79 2wxh s SER 360 Cb -0.06 -2.21 -0.08 0.00 0.21 0.00 0.00 66.02 63.88 2wxh s SER 360 CO 0.17 -1.97 1.13 -0.94 0.41 0.00 0.00 173.24 172.04 2wxh s SER 361 N -3.75 6.23 0.12 2.44 1.04 -1.26 -4.72 113.70 113.80 2wxh s SER 361 Ca 0.61 2.21 -0.31 0.00 0.48 0.00 0.00 55.95 58.94 2wxh s SER 361 Cb -0.15 -2.59 -0.08 0.00 0.10 0.00 0.00 66.02 63.30 2wxh s SER 361 CO 0.55 -0.87 1.31 -1.61 0.98 0.00 0.00 173.24 173.60 2wxh s GLU 362 N -2.79 4.37 -0.00 4.02 2.02 -1.26 -4.74 118.70 120.32 2wxh s GLU 362 Ca 0.64 1.98 0.03 0.00 0.02 0.00 0.00 54.97 57.65 2wxh s GLU 362 Cb -0.26 -3.26 -0.01 0.00 0.10 0.00 0.00 34.13 30.70 2wxh s GLU 362 CO 0.31 -0.33 -0.11 0.08 0.02 0.00 0.00 175.26 175.23 2wxh s VAL 363 N 0.81 0.85 0.64 2.63 1.01 -0.71 -4.96 120.40 120.68 2wxh s VAL 363 Ca 0.61 -0.51 -0.17 0.00 0.00 0.00 0.00 61.98 61.90 2wxh s VAL 363 Cb -0.35 -0.72 -0.06 0.00 0.00 0.00 0.00 36.38 35.25 2wxh s VAL 363 CO 0.32 0.20 0.55 0.59 0.00 0.00 0.00 175.10 176.76 2wxh n ASN 364 N 2.71 -1.02 -0.99 3.32 3.02 -1.26 0.49 115.26 121.53 2wxh n ASN 364 Ca -0.14 0.67 0.00 0.00 -0.03 0.00 0.00 54.58 55.08 2wxh n ASN 364 Cb 0.56 -1.21 0.00 0.00 -0.61 0.00 0.00 39.78 38.53 2wxh n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxh n VAL 365 N -2.02 0.63 -3.49 2.41 0.31 -1.09 -4.50 118.33 110.59 2wxh n VAL 365 Ca 0.11 0.00 -0.23 0.00 -0.01 0.00 0.00 64.34 64.21 2wxh n VAL 365 Cb 0.49 -0.81 -0.01 0.00 -0.91 0.00 0.00 33.84 32.59 2wxh n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxh n SER 367 N -1.71 -1.72 -2.57 0.00 7.64 -1.26 -3.91 113.62 110.09 2wxh n SER 367 Ca -0.05 0.00 -0.16 0.00 1.01 0.00 0.00 58.87 59.67 2wxh n SER 367 Cb 0.57 0.00 0.05 0.00 -1.01 0.00 0.00 64.21 63.82 2wxh n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxh n GLU 368 N -0.30 -5.18 -1.57 1.43 4.07 -1.26 -4.57 120.64 113.27 2wxh n GLU 368 Ca 0.00 0.59 -0.37 0.00 -0.06 0.00 0.00 57.16 57.32 2wxh n GLU 368 Cb 0.00 -4.87 0.07 0.00 -0.06 0.00 0.00 31.44 26.58 2wxh n GLU 368 CO 0.00 0.00 0.00 -0.35 -0.06 0.00 0.00 177.13 176.72 2wxh n PRO 369 N -3.53 0.84 -4.12 5.31 -0.04 -1.11 -4.64 135.00 127.71 2wxh n PRO 369 Ca -0.01 0.34 -0.24 0.00 -0.04 0.00 0.00 63.50 63.55 2wxh n PRO 369 Cb 0.55 -2.34 -0.17 0.00 -0.04 0.00 0.00 33.50 31.50 2wxh n PRO 369 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2wxh s VAL 370 N -1.57 0.83 -0.16 0.52 1.01 -1.26 -0.11 120.40 119.66 2wxh s VAL 370 Ca 0.78 -0.23 -0.06 0.00 0.00 0.00 0.00 61.98 62.47 2wxh s VAL 370 Cb -0.38 -0.84 -0.07 0.00 0.00 0.00 0.00 36.38 35.09 2wxh s VAL 370 CO 0.45 0.31 -0.19 0.79 0.00 0.00 0.00 175.10 176.46 2wxh n TRP 371 N 4.47 0.00 -4.09 5.22 8.01 0.30 -4.97 117.44 126.38 2wxh n TRP 371 Ca -0.17 0.00 -0.45 0.00 -1.31 0.00 0.00 57.50 55.57 2wxh n TRP 371 Cb 0.51 -0.57 0.01 0.00 -2.01 0.00 0.00 31.31 29.24 2wxh n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxh n LYS 372 N -3.57 -0.38 -3.99 -0.99 5.02 0.32 -4.97 118.16 109.60 2wxh n LYS 372 Ca -0.31 0.09 -0.14 0.00 -2.02 0.00 0.00 58.31 55.93 2wxh n LYS 372 Cb 0.73 -2.71 -0.15 0.00 -0.02 0.00 0.00 35.03 32.89 2wxh n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wxh s GLN 373 N -7.38 0.22 0.05 1.97 -1.52 -0.91 -4.98 119.66 107.10 2wxh s GLN 373 Ca 0.44 -0.05 -0.31 0.00 -1.95 0.00 0.00 55.36 53.49 2wxh s GLN 373 Cb -0.24 -0.25 -0.06 0.00 -0.22 0.00 0.00 33.01 32.25 2wxh s GLN 373 CO 0.97 0.01 1.25 1.03 -0.25 0.00 0.00 175.29 178.31 2wxh s ARG 374 N 0.16 4.39 -0.35 2.91 1.81 -1.26 -1.50 118.95 125.11 2wxh s ARG 374 Ca -0.01 1.83 -0.08 0.00 -1.72 0.00 0.00 55.73 55.74 2wxh s ARG 374 Cb -0.04 -3.38 0.03 0.00 -0.45 0.00 0.00 34.95 31.12 2wxh s ARG 374 CO -0.00 -0.34 0.15 -0.51 -0.68 0.00 0.00 175.30 173.91 2wxh s LEU 375 N 1.34 4.49 -0.08 2.53 1.43 0.15 -4.95 118.68 123.60 2wxh s LEU 375 Ca 0.60 -1.07 -0.12 0.00 -1.03 0.00 0.00 54.13 52.51 2wxh s LEU 375 Cb -0.30 -1.94 -0.05 0.00 0.03 0.00 0.00 46.19 43.93 2wxh s LEU 375 CO 0.28 -0.35 0.29 -0.70 0.23 0.00 0.00 176.35 176.10 2wxh s GLU 376 N 1.47 3.85 0.04 1.70 2.12 -1.26 -0.96 118.70 125.65 2wxh s GLU 376 Ca -0.00 0.15 0.01 0.00 0.36 0.00 0.00 54.97 55.49 2wxh s GLU 376 Cb -0.19 -3.26 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2wxh s GLU 376 CO 0.04 0.60 0.09 -0.06 -0.54 0.00 0.00 175.26 175.39 2wxh s PHE 377 N -0.65 3.25 -1.47 5.30 0.08 0.44 -4.91 117.98 120.01 2wxh s PHE 377 Ca 0.19 0.15 -0.10 0.00 0.12 0.00 0.00 56.93 57.28 2wxh s PHE 377 Cb -0.14 -1.69 -0.06 0.00 -0.57 0.00 0.00 43.02 40.56 2wxh s PHE 377 CO 0.08 0.54 2.68 -3.47 -0.10 0.00 0.00 175.22 174.95 2wxh n ASP 378 N 0.83 7.18 -3.64 1.36 2.03 -1.26 -3.73 116.55 119.32 2wxh n ASP 378 Ca -0.11 -2.59 -0.05 0.00 0.52 0.00 0.00 54.79 52.57 2wxh n ASP 378 Cb 0.52 -1.50 -0.07 0.00 -0.72 0.00 0.00 41.12 39.36 2wxh n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxh s ILE 379 N 2.62 0.00 0.39 5.18 2.07 -1.26 -4.76 121.20 125.43 2wxh s ILE 379 Ca 0.61 0.00 -0.27 0.00 -1.41 0.00 0.00 60.65 59.59 2wxh s ILE 379 Cb 0.16 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.66 2wxh s ILE 379 CO -0.06 0.00 1.29 -0.55 -1.91 0.00 0.00 174.94 173.71 2wxh s SER 380 N 1.18 6.45 0.37 4.50 0.15 -1.26 -0.44 113.70 124.65 2wxh s SER 380 Ca -0.07 2.63 0.07 0.00 0.70 0.00 0.00 55.95 59.28 2wxh s SER 380 Cb -0.04 -2.64 0.73 0.00 -1.71 0.00 0.00 66.02 62.36 2wxh s SER 380 CO -0.14 -0.75 1.93 0.58 1.20 0.00 0.00 173.24 176.07 2wxh h VAL 381 N 2.59 1.17 0.00 4.45 2.07 -1.33 -0.58 116.25 124.62 2wxh h VAL 381 Ca -0.49 -0.63 0.00 0.00 0.82 0.00 0.00 66.70 66.40 2wxh h VAL 381 Cb 1.24 0.92 0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2wxh h VAL 381 CO 0.63 0.22 0.00 0.00 0.02 0.00 0.00 177.57 178.44 2wxh n ASP 383 N -2.56 0.58 -4.65 0.00 9.92 -0.23 -4.67 116.55 114.94 2wxh n ASP 383 Ca 0.01 -0.09 -0.42 0.00 -0.53 0.00 0.00 54.79 53.75 2wxh n ASP 383 Cb 0.24 0.27 -0.03 0.00 -0.64 0.00 0.00 41.12 40.96 2wxh n ASP 383 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2wxh s LEU 384 N -3.56 4.22 0.78 0.64 1.43 -1.15 -4.31 118.68 116.73 2wxh s LEU 384 Ca 0.08 2.40 -0.11 0.00 -1.03 0.00 0.00 54.13 55.48 2wxh s LEU 384 Cb 0.16 -3.53 0.06 0.00 0.03 0.00 0.00 46.19 42.91 2wxh s LEU 384 CO 0.72 -1.19 1.08 -2.16 0.23 0.00 0.00 176.35 175.03 2wxh s PRO 385 N 4.71 2.22 0.33 1.29 0.04 -1.26 -4.92 135.00 137.41 2wxh s PRO 385 Ca 0.87 0.87 0.10 0.00 0.04 0.00 0.00 61.00 62.88 2wxh s PRO 385 Cb -0.38 -1.91 0.87 0.00 0.04 0.00 0.00 34.50 33.11 2wxh s PRO 385 CO 0.38 -1.59 1.77 -0.09 0.04 0.00 0.00 177.00 177.51 2wxh h ARG 386 N -1.07 0.61 -0.75 4.56 9.65 -1.94 -0.92 114.38 124.51 2wxh h ARG 386 Ca -0.46 -0.04 -0.20 0.00 -1.10 0.00 0.00 59.98 58.19 2wxh h ARG 386 Cb 1.25 -0.14 -0.12 0.00 -1.39 0.00 0.00 29.97 29.57 2wxh h ARG 386 CO 0.56 0.40 0.25 -1.33 2.80 0.00 0.00 179.97 182.65 2wxh n MET 387 N -4.76 3.82 -1.68 0.20 2.81 -1.26 -4.58 117.12 111.66 2wxh n MET 387 Ca 0.25 -3.03 -0.45 0.00 -1.81 0.00 0.00 57.70 52.65 2wxh n MET 387 Cb 0.68 -2.22 -0.04 0.00 -0.71 0.00 0.00 33.22 30.94 2wxh n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxh n ALA 388 N -0.06 1.73 -3.27 3.04 0.00 -0.35 -4.82 120.51 116.78 2wxh n ALA 388 Ca 0.39 0.42 -0.33 0.00 0.00 0.00 0.00 53.44 53.93 2wxh n ALA 388 Cb 1.37 -2.41 -0.15 0.00 0.00 0.00 0.00 19.45 18.25 2wxh n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wxh s ARG 389 N 1.26 3.25 -0.24 0.00 3.52 -0.57 -1.69 118.95 124.48 2wxh s ARG 389 Ca 0.79 -0.75 -0.09 0.00 -0.13 0.00 0.00 55.73 55.55 2wxh s ARG 389 Cb -0.63 -2.57 -0.04 0.00 -1.56 0.00 0.00 34.95 30.15 2wxh s ARG 389 CO 0.37 0.12 0.12 -1.17 -0.81 0.00 0.00 175.30 173.93 2wxh s LEU 390 N 0.55 3.85 -0.12 -0.88 2.96 0.65 -0.47 118.68 125.22 2wxh s LEU 390 Ca -0.10 -0.00 0.03 0.00 -0.22 0.00 0.00 54.13 53.84 2wxh s LEU 390 Cb -0.16 -2.03 0.01 0.00 0.50 0.00 0.00 46.19 44.51 2wxh s LEU 390 CO 0.04 0.04 -0.22 0.00 -1.32 0.00 0.00 176.35 174.89 2wxh s PHE 392 N 0.65 2.74 -0.04 0.00 0.08 -0.12 -0.81 117.98 120.49 2wxh s PHE 392 Ca -0.11 -0.15 -0.00 0.00 0.12 0.00 0.00 56.93 56.79 2wxh s PHE 392 Cb -0.16 -1.47 0.03 0.00 -0.57 0.00 0.00 43.02 40.85 2wxh s PHE 392 CO 0.02 0.40 0.00 0.00 -0.10 0.00 0.00 175.22 175.54 2wxh s ALA 393 N -1.14 0.40 -0.22 5.36 0.00 0.57 -2.41 121.76 124.32 2wxh s ALA 393 Ca 0.20 0.10 -0.07 0.00 0.00 0.00 0.00 51.96 52.19 2wxh s ALA 393 Cb -0.11 -0.42 -0.03 0.00 0.00 0.00 0.00 23.12 22.56 2wxh s ALA 393 CO 0.12 -0.16 0.06 -1.17 0.00 0.00 0.00 175.76 174.61 2wxh s LEU 394 N 1.25 3.55 0.19 0.00 0.20 0.09 -0.79 118.68 123.18 2wxh s LEU 394 Ca -0.06 -0.11 -0.05 0.00 0.69 0.00 0.00 54.13 54.60 2wxh s LEU 394 Cb -0.13 -1.93 -0.03 0.00 -0.43 0.00 0.00 46.19 43.67 2wxh s LEU 394 CO -0.02 0.04 0.22 -0.72 -0.29 0.00 0.00 176.35 175.58 2wxh s TYR 395 N 1.16 0.83 0.20 5.38 -0.85 -0.88 -1.39 117.35 121.79 2wxh s TYR 395 Ca 0.04 -1.12 0.09 0.00 -0.52 0.00 0.00 57.07 55.56 2wxh s TYR 395 Cb -0.14 -0.31 -0.04 0.00 0.38 0.00 0.00 41.96 41.84 2wxh s TYR 395 CO 0.03 -0.71 -0.06 0.00 -1.52 0.00 0.00 175.55 173.29 2wxh s ALA 396 N -4.08 3.03 0.12 9.51 0.00 -0.27 -1.56 121.76 128.50 2wxh s ALA 396 Ca 0.30 -1.49 -0.19 0.00 0.00 0.00 0.00 51.96 50.58 2wxh s ALA 396 Cb 0.05 -0.78 0.05 0.00 0.00 0.00 0.00 23.12 22.43 2wxh s ALA 396 CO 0.08 0.43 0.46 0.54 0.00 0.00 0.00 175.76 177.27 2wxh s VAL 397 N -1.84 0.05 0.28 0.00 0.11 -0.40 -2.88 120.40 115.72 2wxh s VAL 397 Ca 0.27 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.93 2wxh s VAL 397 Cb -0.08 -1.09 0.10 0.00 -1.53 0.00 0.00 36.38 33.78 2wxh s VAL 397 CO 0.17 -0.22 1.77 0.58 -3.33 0.00 0.00 175.10 174.07 2wxh h VAL 398 N 2.38 1.24 -4.02 2.04 2.07 -1.96 -1.36 116.25 116.64 2wxh h VAL 398 Ca -0.33 -1.05 -0.53 0.00 0.82 0.00 0.00 66.70 65.61 2wxh h VAL 398 Cb 1.26 1.06 -0.23 0.00 -1.52 0.00 0.00 31.29 31.85 2wxh h VAL 398 CO 0.44 0.35 -0.82 -1.81 0.02 0.00 0.00 177.57 175.75 2wxh s ASP 415 N -6.72 2.29 -0.42 0.57 1.11 -1.26 -4.89 116.67 107.35 2wxh s ASP 415 Ca -0.08 -0.60 0.02 0.00 0.18 0.00 0.00 52.55 52.07 2wxh s ASP 415 Cb 0.14 -0.14 0.13 0.00 1.07 0.00 0.00 42.92 44.12 2wxh s ASP 415 CO 0.80 0.07 0.21 0.00 1.18 0.00 0.00 175.17 177.43 2wxh n PRO 417 N 3.73 2.52 -0.01 0.00 -0.02 -1.26 -1.12 135.00 138.85 2wxh n PRO 417 Ca 0.07 0.89 -0.05 0.00 -2.02 0.00 0.00 63.50 62.39 2wxh n PRO 417 Cb 0.36 -2.66 -0.02 0.00 -0.02 0.00 0.00 33.50 31.15 2wxh n PRO 417 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 2wxh n ILE 418 N 0.18 1.02 -3.84 4.25 5.41 -0.52 -4.79 119.36 121.07 2wxh n ILE 418 Ca 0.03 0.16 -0.08 0.00 1.00 0.00 0.00 62.75 63.86 2wxh n ILE 418 Cb 0.40 -1.76 -0.03 0.00 -0.71 0.00 0.00 39.64 37.54 2wxh n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wxh s ALA 419 N -2.24 -0.95 0.08 -1.39 0.00 -0.49 -1.31 121.76 115.45 2wxh s ALA 419 Ca -0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 51.96 51.42 2wxh s ALA 419 Cb 0.03 0.91 -0.02 0.00 0.00 0.00 0.00 23.12 24.03 2wxh s ALA 419 CO 0.14 -0.93 0.09 1.67 0.00 0.00 0.00 175.76 176.73 2wxh s TRP 420 N -3.92 0.35 -0.28 0.00 1.48 -0.60 -0.73 118.94 115.23 2wxh s TRP 420 Ca 0.13 -0.82 -0.19 0.00 -1.06 0.00 0.00 56.10 54.16 2wxh s TRP 420 Cb -0.03 -0.22 0.10 0.00 -1.16 0.00 0.00 33.47 32.16 2wxh s TRP 420 CO 0.04 -0.48 0.83 0.00 -4.06 0.00 0.00 176.95 173.29 2wxh s ALA 421 N -3.90 -1.99 0.15 2.67 0.00 -1.01 -0.98 121.76 116.70 2wxh s ALA 421 Ca 0.07 2.22 0.10 0.00 0.00 0.00 0.00 51.96 54.35 2wxh s ALA 421 Cb 0.06 -1.47 -0.04 0.00 0.00 0.00 0.00 23.12 21.67 2wxh s ALA 421 CO -0.10 -0.34 -0.20 -0.80 0.00 0.00 0.00 175.76 174.32 2wxh s ASN 422 N 1.15 3.71 0.03 0.00 0.01 -1.26 -0.94 114.94 117.64 2wxh s ASN 422 Ca -0.06 -0.69 -0.10 0.00 -0.71 0.00 0.00 52.86 51.30 2wxh s ASN 422 Cb -0.05 -0.43 0.01 0.00 0.41 0.00 0.00 41.25 41.19 2wxh s ASN 422 CO -0.13 0.15 0.20 -1.48 -1.51 0.00 0.00 177.10 174.33 2wxh s LEU 423 N -2.40 1.32 0.23 0.60 0.05 -0.51 -4.25 118.68 113.72 2wxh s LEU 423 Ca 0.19 -0.27 -0.30 0.00 0.05 0.00 0.00 54.13 53.80 2wxh s LEU 423 Cb -0.09 0.96 -0.09 0.00 -2.05 0.00 0.00 46.19 44.92 2wxh s LEU 423 CO 0.10 -0.51 1.00 -0.04 -0.55 0.00 0.00 176.35 176.35 2wxh s MET 424 N -2.17 4.77 0.23 1.48 -1.94 -1.26 -0.25 119.30 120.15 2wxh s MET 424 Ca -0.08 1.59 0.08 0.00 -1.71 0.00 0.00 55.69 55.57 2wxh s MET 424 Cb -0.03 -3.27 0.19 0.00 2.01 0.00 0.00 34.83 33.74 2wxh s MET 424 CO -0.02 0.37 1.52 -0.07 -0.01 0.00 0.00 175.02 176.81 2wxh h LEU 425 N 4.29 0.05 -9.43 -0.03 3.38 -1.67 -3.42 115.31 108.48 2wxh h LEU 425 Ca -0.45 -0.04 -0.66 0.00 0.09 0.00 0.00 57.88 56.82 2wxh h LEU 425 Cb 1.20 -0.02 -0.11 0.00 0.09 0.00 0.00 40.66 41.83 2wxh h LEU 425 CO 0.68 0.75 -0.53 -0.36 0.09 0.00 0.00 178.44 179.08 2wxh s PHE 426 N -3.40 3.41 0.60 1.13 0.08 -1.26 -0.76 117.98 117.77 2wxh s PHE 426 Ca -0.01 0.35 -0.10 0.00 0.12 0.00 0.00 56.93 57.29 2wxh s PHE 426 Cb 0.12 -1.94 0.14 0.00 -0.57 0.00 0.00 43.02 40.77 2wxh s PHE 426 CO 0.78 0.54 0.71 -0.40 -0.10 0.00 0.00 175.22 176.75 2wxh n ASP 427 N 2.39 -0.48 0.00 1.36 5.68 -0.12 -4.88 116.55 120.49 2wxh n ASP 427 Ca -0.19 -1.15 0.09 0.00 -0.50 0.00 0.00 54.79 53.04 2wxh n ASP 427 Cb 0.54 -0.57 0.46 0.00 -1.14 0.00 0.00 41.12 40.41 2wxh n ASP 427 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2wxh n TYR 428 N -3.30 0.00 -1.01 2.11 4.11 -1.26 -1.83 117.16 115.98 2wxh n TYR 428 Ca 0.09 0.00 0.08 0.00 -0.00 0.00 0.00 57.90 58.07 2wxh n TYR 428 Cb 0.33 -0.20 0.27 0.00 -0.00 0.00 0.00 39.34 39.74 2wxh n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wxh n LYS 429 N -1.20 3.10 -0.74 -3.48 4.76 -1.26 -4.96 118.16 114.39 2wxh n LYS 429 Ca 0.10 -2.90 0.00 0.00 -2.87 0.00 0.00 58.31 52.64 2wxh n LYS 429 Cb 0.11 -1.90 0.00 0.00 -1.84 0.00 0.00 35.03 31.40 2wxh n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxh n ASP 430 N -0.41 -1.76 -4.74 4.39 8.00 -0.76 -4.89 116.55 116.38 2wxh n ASP 430 Ca 0.23 0.00 -0.41 0.00 0.71 0.00 0.00 54.79 55.32 2wxh n ASP 430 Cb 0.95 -2.23 -0.05 0.00 -0.02 0.00 0.00 41.12 39.77 2wxh n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxh s GLN 431 N -1.03 4.73 0.15 -1.24 0.74 -1.26 -1.44 119.66 120.31 2wxh s GLN 431 Ca 0.00 1.49 -0.30 0.00 0.05 0.00 0.00 55.36 56.60 2wxh s GLN 431 Cb 0.00 -3.34 -0.08 0.00 1.10 0.00 0.00 33.01 30.69 2wxh s GLN 431 CO 0.00 0.28 1.30 -1.17 -0.55 0.00 0.00 175.29 175.16 2wxh s LEU 432 N -0.39 4.40 0.33 3.68 2.96 -0.48 -0.95 118.68 128.23 2wxh s LEU 432 Ca 0.45 2.30 -0.28 0.00 -0.22 0.00 0.00 54.13 56.39 2wxh s LEU 432 Cb -0.25 -3.60 -0.09 0.00 0.50 0.00 0.00 46.19 42.75 2wxh s LEU 432 CO 0.31 -0.53 1.15 -0.54 -1.32 0.00 0.00 176.35 175.42 2wxh s LYS 433 N 0.38 4.40 0.16 1.98 1.02 0.06 -4.81 119.74 122.93 2wxh s LYS 433 Ca 0.59 1.87 -0.15 0.00 0.02 0.00 0.00 55.97 58.30 2wxh s LYS 433 Cb -0.35 -2.99 0.02 0.00 -0.52 0.00 0.00 37.83 33.99 2wxh s LYS 433 CO 0.34 -0.02 0.43 0.95 -0.92 0.00 0.00 175.35 176.13 2wxh s THR 434 N -1.26 0.05 0.00 2.17 -4.23 -1.26 -4.79 115.64 106.32 2wxh s THR 434 Ca 0.49 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 60.17 2wxh s THR 434 Cb -0.32 -1.48 0.00 0.00 1.34 0.00 0.00 72.50 72.04 2wxh s THR 434 CO 0.42 -0.24 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2wxh n GLY 435 N -0.27 -0.19 3.82 3.99 0.00 -1.25 -5.00 105.19 106.28 2wxh n GLY 435 Ca -0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.55 2wxh n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxh s GLU 436 N -0.80 4.25 -0.01 1.61 2.12 -1.26 0.24 118.70 124.86 2wxh s GLU 436 Ca 0.00 0.93 -0.00 0.00 0.36 0.00 0.00 54.97 56.25 2wxh s GLU 436 Cb 0.00 -2.70 0.01 0.00 0.26 0.00 0.00 34.13 31.70 2wxh s GLU 436 CO 0.00 0.28 0.02 1.03 -0.54 0.00 0.00 175.26 176.05 2wxh s ARG 437 N -2.33 0.01 -0.30 4.30 3.00 0.14 -4.93 118.95 118.84 2wxh s ARG 437 Ca 0.49 0.07 -0.08 0.00 0.00 0.00 0.00 55.73 56.20 2wxh s ARG 437 Cb -0.15 -0.06 0.00 0.00 0.00 0.00 0.00 34.95 34.75 2wxh s ARG 437 CO 0.20 -0.05 0.11 0.00 0.00 0.00 0.00 175.30 175.56 2wxh s LEU 439 N 1.55 5.11 -0.38 0.00 1.43 0.62 -4.92 118.68 122.08 2wxh s LEU 439 Ca 0.04 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.83 2wxh s LEU 439 Cb -0.17 -2.13 0.02 0.00 0.03 0.00 0.00 46.19 43.95 2wxh s LEU 439 CO 0.04 -0.47 1.08 -0.31 0.23 0.00 0.00 176.35 176.91 2wxh s TYR 440 N 1.63 3.02 0.36 0.29 2.02 -1.26 -1.35 117.35 122.06 2wxh s TYR 440 Ca 0.04 0.96 -0.07 0.00 -0.37 0.00 0.00 57.07 57.63 2wxh s TYR 440 Cb -0.20 -3.95 -0.05 0.00 -0.40 0.00 0.00 41.96 37.35 2wxh s TYR 440 CO 0.08 -0.96 0.67 -1.64 -1.57 0.00 0.00 175.55 172.14 2wxh s MET 441 N 3.91 3.67 -0.11 -0.62 -1.94 0.16 -0.41 119.30 123.97 2wxh s MET 441 Ca 0.45 0.20 -0.09 0.00 -1.71 0.00 0.00 55.69 54.54 2wxh s MET 441 Cb -0.10 -2.51 -0.04 0.00 2.01 0.00 0.00 34.83 34.18 2wxh s MET 441 CO 0.22 0.06 0.20 -1.58 -0.01 0.00 0.00 175.02 173.91 2wxh s TRP 442 N -2.29 3.60 0.42 -0.03 0.52 -0.15 -4.44 118.94 116.56 2wxh s TRP 442 Ca 0.47 0.61 -0.25 0.00 0.02 0.00 0.00 56.10 56.95 2wxh s TRP 442 Cb -0.10 -2.06 -0.08 0.00 -1.15 0.00 0.00 33.47 30.08 2wxh s TRP 442 CO 0.33 0.65 1.20 -1.25 0.02 0.00 0.00 176.95 177.89 2wxh s PRO 443 N -0.81 3.96 -0.38 4.98 0.05 -1.26 -1.55 135.00 139.99 2wxh s PRO 443 Ca 0.16 1.89 -0.20 0.00 0.05 0.00 0.00 61.00 62.91 2wxh s PRO 443 Cb -0.13 -2.63 0.01 0.00 0.05 0.00 0.00 34.50 31.80 2wxh s PRO 443 CO 0.05 -0.42 0.62 -1.12 0.05 0.00 0.00 177.00 176.19 2wxh s SER 444 N -1.10 6.38 0.00 6.66 0.01 -0.43 -4.84 113.70 120.38 2wxh s SER 444 Ca 0.59 -0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.84 2wxh s SER 444 Cb -0.32 -2.32 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2wxh s SER 444 CO 0.40 -0.62 0.00 0.55 0.41 0.00 0.00 173.24 173.97 2wxh n VAL 445 N 5.63 0.00 -0.09 3.43 3.14 -1.26 -4.83 118.33 124.35 2wxh n VAL 445 Ca -0.02 0.00 -0.13 0.00 -2.96 0.00 0.00 64.34 61.23 2wxh n VAL 445 Cb 0.48 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.18 2wxh n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxh n LEU 452 N 0.00 2.96 -4.78 6.55 7.99 -1.26 -5.22 117.00 123.25 2wxh n LEU 452 Ca 0.00 -0.09 -0.37 0.00 -0.01 0.00 0.00 56.01 55.53 2wxh n LEU 452 Cb 0.00 -0.64 -0.03 0.00 -0.11 0.00 0.00 43.42 42.64 2wxh n LEU 452 CO 0.00 0.81 0.79 -0.76 -1.51 0.00 0.00 177.39 176.71 2wxh s LEU 453 N -6.09 4.13 -0.52 2.23 1.02 -1.26 -4.81 118.68 113.38 2wxh s LEU 453 Ca -0.25 2.19 0.07 0.00 0.02 0.00 0.00 54.13 56.16 2wxh s LEU 453 Cb 0.06 -4.14 0.26 0.00 0.02 0.00 0.00 46.19 42.39 2wxh s LEU 453 CO 0.42 -0.64 0.67 -3.20 0.02 0.00 0.00 176.35 173.63 2wxh n ASN 454 N -0.11 2.22 0.04 2.29 5.15 -1.26 -4.97 115.26 118.62 2wxh n ASN 454 Ca 0.05 -3.14 0.14 0.00 -0.60 0.00 0.00 54.58 51.03 2wxh n ASN 454 Cb 0.48 -0.65 0.61 0.00 -0.53 0.00 0.00 39.78 39.70 2wxh n ASN 454 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 2wxh h PRO 455 N 3.95 0.14 0.00 1.20 0.13 -1.96 -0.28 132.00 135.18 2wxh h PRO 455 Ca 0.14 -0.01 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 2wxh h PRO 455 Cb 0.75 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.85 2wxh h PRO 455 CO 0.67 0.09 0.00 0.00 -0.23 0.00 0.00 178.00 178.53 2wxh n ALA 456 N -2.57 2.28 -1.33 -0.56 0.00 -1.26 -4.87 120.51 112.19 2wxh n ALA 456 Ca 0.06 -0.04 -0.34 0.00 0.00 0.00 0.00 53.44 53.13 2wxh n ALA 456 Cb 0.39 -1.47 0.09 0.00 0.00 0.00 0.00 19.45 18.47 2wxh n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxh s GLY 457 N -3.44 2.28 0.52 0.00 0.00 -0.12 -4.86 107.32 101.71 2wxh s GLY 457 Ca 0.11 0.83 -0.21 0.00 0.00 0.00 0.00 44.72 45.45 2wxh s GLY 457 CO 0.58 1.23 1.02 -0.37 0.00 0.00 0.00 173.10 175.55 2wxh n THR 458 N -2.80 3.14 0.44 0.90 5.66 -1.26 -4.87 114.28 115.48 2wxh n THR 458 Ca 0.13 -0.50 0.07 0.00 -3.05 0.00 0.00 64.05 60.70 2wxh n THR 458 Cb 0.50 -1.22 0.21 0.00 -1.55 0.00 0.00 70.33 68.28 2wxh n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxh n VAL 459 N -1.13 0.74 -4.25 1.08 0.24 -1.26 -4.10 118.33 109.65 2wxh n VAL 459 Ca 0.11 -0.65 -0.31 0.00 -2.04 0.00 0.00 64.34 61.45 2wxh n VAL 459 Cb 0.44 0.25 -0.09 0.00 -1.47 0.00 0.00 33.84 32.97 2wxh n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxh s ARG 460 N -1.45 2.58 0.77 7.34 3.52 -1.26 -4.43 118.95 126.02 2wxh s ARG 460 Ca 0.32 -0.77 -0.11 0.00 -0.13 0.00 0.00 55.73 55.05 2wxh s ARG 460 Cb 0.17 -2.55 0.06 0.00 -1.56 0.00 0.00 34.95 31.07 2wxh s ARG 460 CO 0.20 0.57 1.09 0.20 -0.81 0.00 0.00 175.30 176.55 2wxh s GLY 461 N -1.90 1.67 -0.07 8.12 0.00 -1.26 -4.88 107.32 109.00 2wxh s GLY 461 Ca 0.22 0.24 -0.30 0.00 0.00 0.00 0.00 44.72 44.88 2wxh s GLY 461 CO 0.13 0.59 1.64 0.21 0.00 0.00 0.00 173.10 175.67 2wxh s ASN 462 N -3.43 6.64 0.59 1.64 3.84 0.45 -4.90 114.94 119.77 2wxh s ASN 462 Ca 0.61 2.16 0.37 0.00 0.21 0.00 0.00 52.86 56.21 2wxh s ASN 462 Cb -0.17 -2.53 1.74 0.00 -0.55 0.00 0.00 41.25 39.74 2wxh s ASN 462 CO 0.56 -0.96 2.13 1.55 -2.79 0.00 0.00 177.10 177.58 2wxh h PRO 463 N 9.65 0.00 -4.11 0.43 0.13 -1.90 -3.34 132.00 132.86 2wxh h PRO 463 Ca -0.38 0.00 -0.71 0.00 -0.87 0.00 0.00 66.00 64.03 2wxh h PRO 463 Cb 1.17 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.24 2wxh h PRO 463 CO 0.96 0.01 2.87 -1.71 -0.23 0.00 0.00 178.00 179.89 2wxh n ASN 464 N -3.11 4.16 0.14 1.44 2.85 -1.26 -4.73 115.26 114.74 2wxh n ASN 464 Ca -0.01 -2.89 0.12 0.00 -0.11 0.00 0.00 54.58 51.69 2wxh n ASN 464 Cb 0.22 -1.64 0.50 0.00 1.24 0.00 0.00 39.78 40.10 2wxh n ASN 464 CO 0.00 0.00 0.00 0.35 -2.11 0.00 0.00 177.26 175.50 2wxh n THR 465 N 4.96 0.83 -0.04 -0.44 -2.24 -1.25 -1.36 114.28 114.73 2wxh n THR 465 Ca 0.50 0.25 -0.13 0.00 -2.27 0.00 0.00 64.05 62.39 2wxh n THR 465 Cb 0.39 -1.19 -0.08 0.00 -2.10 0.00 0.00 70.33 67.36 2wxh n THR 465 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 2wxh h GLU 466 N 0.00 0.25 0.02 -0.78 4.81 -1.94 -3.38 114.58 113.56 2wxh h GLU 466 Ca 0.00 -0.13 -0.35 0.00 -0.13 0.00 0.00 59.36 58.75 2wxh h GLU 466 Cb 0.36 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.69 2wxh h GLU 466 CO 0.00 0.67 -2.12 0.45 -0.73 0.00 0.00 179.01 177.28 2wxh n SER 467 N -4.64 1.00 -4.76 1.04 2.88 -1.07 -4.99 113.62 103.07 2wxh n SER 467 Ca -0.07 0.15 -0.41 0.00 -1.33 0.00 0.00 58.87 57.21 2wxh n SER 467 Cb 0.33 0.08 -0.00 0.00 -0.75 0.00 0.00 64.21 63.87 2wxh n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxh n ALA 468 N -2.82 2.33 -1.76 -1.46 0.00 -0.46 -4.98 120.51 111.35 2wxh n ALA 468 Ca -0.30 0.35 -0.38 0.00 0.00 0.00 0.00 53.44 53.11 2wxh n ALA 468 Cb 1.08 -2.42 0.01 0.00 0.00 0.00 0.00 19.45 18.11 2wxh n ALA 468 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxh s ALA 469 N -0.82 3.02 0.00 0.00 0.00 -1.26 -4.83 121.76 117.87 2wxh s ALA 469 Ca 0.56 1.15 0.03 0.00 0.00 0.00 0.00 51.96 53.70 2wxh s ALA 469 Cb -0.49 -3.47 -0.01 0.00 0.00 0.00 0.00 23.12 19.15 2wxh s ALA 469 CO 0.60 -0.92 -0.11 0.00 0.00 0.00 0.00 175.76 175.33 2wxh s ALA 470 N -1.38 0.87 -0.20 0.00 0.00 -1.23 -0.66 121.76 119.16 2wxh s ALA 470 Ca 0.64 -0.50 0.01 0.00 0.00 0.00 0.00 51.96 52.11 2wxh s ALA 470 Cb -0.35 -0.20 0.03 0.00 0.00 0.00 0.00 23.12 22.60 2wxh s ALA 470 CO 0.43 0.20 -0.15 -0.51 0.00 0.00 0.00 175.76 175.73 2wxh s LEU 471 N -0.40 2.39 -0.06 0.00 1.43 -0.46 -2.06 118.68 119.51 2wxh s LEU 471 Ca 0.03 -0.85 -0.18 0.00 -1.03 0.00 0.00 54.13 52.10 2wxh s LEU 471 Cb -0.05 -1.39 -0.05 0.00 0.03 0.00 0.00 46.19 44.73 2wxh s LEU 471 CO -0.00 -0.08 0.50 0.68 0.23 0.00 0.00 176.35 177.67 2wxh s VAL 472 N 1.30 5.07 0.15 -1.59 -7.23 0.14 -0.27 120.40 117.97 2wxh s VAL 472 Ca 0.00 1.02 0.02 0.00 -1.81 0.00 0.00 61.98 61.22 2wxh s VAL 472 Cb -0.15 -3.83 -0.04 0.00 0.56 0.00 0.00 36.38 32.91 2wxh s VAL 472 CO -0.10 0.40 -0.03 0.27 -0.31 0.00 0.00 175.10 175.33 2wxh s ILE 473 N 0.05 0.77 -0.11 -0.62 -4.36 0.91 -1.29 121.20 116.57 2wxh s ILE 473 Ca 0.27 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.69 2wxh s ILE 473 Cb -0.16 -1.96 0.02 0.00 1.25 0.00 0.00 42.46 41.61 2wxh s ILE 473 CO 0.13 -0.63 -0.12 -0.47 0.24 0.00 0.00 174.94 174.09 2wxh s TYR 474 N -3.59 1.72 -0.34 1.37 5.04 0.27 0.24 117.35 122.06 2wxh s TYR 474 Ca 0.19 -0.82 -0.17 0.00 -2.44 0.00 0.00 57.07 53.84 2wxh s TYR 474 Cb 0.05 -1.30 -0.01 0.00 0.35 0.00 0.00 41.96 41.05 2wxh s TYR 474 CO 0.01 -0.48 0.44 -0.51 -1.34 0.00 0.00 175.55 173.67 2wxh s LEU 475 N 1.25 4.37 0.45 6.97 1.02 0.68 -0.34 118.68 133.08 2wxh s LEU 475 Ca -0.02 -0.09 -0.23 0.00 0.02 0.00 0.00 54.13 53.80 2wxh s LEU 475 Cb -0.14 -2.47 -0.08 0.00 0.02 0.00 0.00 46.19 43.53 2wxh s LEU 475 CO -0.04 -0.40 1.16 -2.84 0.02 0.00 0.00 176.35 174.25 2wxh s PRO 476 N 2.21 3.79 -0.45 1.29 0.02 -1.26 -3.91 135.00 136.68 2wxh s PRO 476 Ca 0.15 1.76 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 2wxh s PRO 476 Cb -0.16 -2.42 -0.00 0.00 0.02 0.00 0.00 34.50 31.94 2wxh s PRO 476 CO 0.12 -0.52 1.58 -1.83 -0.33 0.00 0.00 177.00 176.03 2wxh s GLU 477 N -2.67 3.31 0.00 5.54 -1.05 -1.26 -4.87 118.70 117.70 2wxh s GLU 477 Ca 0.63 0.91 0.27 0.00 -0.15 0.00 0.00 54.97 56.63 2wxh s GLU 477 Cb -0.28 -4.15 1.40 0.00 -0.44 0.00 0.00 34.13 30.66 2wxh s GLU 477 CO 0.34 -1.90 1.93 1.33 0.95 0.00 0.00 175.26 177.91 2wxh n VAL 478 N 7.14 0.11 0.00 1.83 0.24 -1.26 -5.20 118.33 121.19 2wxh n VAL 478 Ca 0.18 0.03 0.00 0.00 -2.04 0.00 0.00 64.34 62.51 2wxh n VAL 478 Cb 0.48 -0.58 0.00 0.00 -1.47 0.00 0.00 33.84 32.27 2wxh n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxh n ALA 479 N -1.24 0.32 -1.92 2.33 0.00 -1.26 -5.05 120.51 113.69 2wxh n ALA 479 Ca 0.14 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.17 2wxh n ALA 479 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.61 2wxh n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxh s PRO 482 N 0.04 4.61 -0.11 0.00 0.02 -1.26 -5.26 135.00 133.04 2wxh s PRO 482 Ca 0.00 1.77 0.04 0.00 0.02 0.00 0.00 61.00 62.82 2wxh s PRO 482 Cb 0.00 -3.23 0.00 0.00 0.02 0.00 0.00 34.50 31.29 2wxh s PRO 482 CO 0.00 0.13 -0.23 0.14 -0.33 0.00 0.00 177.00 176.71 2wxh s VAL 483 N -0.66 2.12 0.23 3.83 -7.23 -1.26 -5.06 120.40 112.36 2wxh s VAL 483 Ca 0.47 -0.99 0.09 0.00 -1.81 0.00 0.00 61.98 59.74 2wxh s VAL 483 Cb -0.31 -1.81 -0.04 0.00 0.56 0.00 0.00 36.38 34.78 2wxh s VAL 483 CO 0.38 0.56 -0.00 -0.31 -0.31 0.00 0.00 175.10 175.41 2wxh s TYR 484 N 0.42 2.75 0.30 2.82 2.02 -1.26 -1.38 117.35 123.01 2wxh s TYR 484 Ca -0.17 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.05 2wxh s TYR 484 Cb -0.17 -1.26 -0.10 0.00 -0.40 0.00 0.00 41.96 40.02 2wxh s TYR 484 CO 0.07 0.58 1.32 0.12 -1.57 0.00 0.00 175.55 176.06 2wxh s PHE 485 N -2.09 3.10 0.57 2.71 2.19 -0.52 -4.60 117.98 119.34 2wxh s PHE 485 Ca 0.30 1.35 -0.21 0.00 0.33 0.00 0.00 56.93 58.70 2wxh s PHE 485 Cb -0.07 -3.67 -0.04 0.00 -1.31 0.00 0.00 43.02 37.93 2wxh s PHE 485 CO 0.19 -1.91 1.33 -2.14 1.83 0.00 0.00 175.22 174.53 2wxh s PRO 486 N -1.35 3.01 0.71 10.12 0.02 -1.26 -4.98 135.00 141.28 2wxh s PRO 486 Ca 0.51 2.17 -0.14 0.00 0.02 0.00 0.00 61.00 63.56 2wxh s PRO 486 Cb -0.39 -2.16 0.03 0.00 0.02 0.00 0.00 34.50 32.00 2wxh s PRO 486 CO 0.49 -1.27 1.15 0.00 -0.33 0.00 0.00 177.00 177.04 2wxh s ALA 487 N -1.34 2.23 0.35 -1.55 0.00 -1.26 -4.78 121.76 115.41 2wxh s ALA 487 Ca 0.74 0.67 0.11 0.00 0.00 0.00 0.00 51.96 53.48 2wxh s ALA 487 Cb -0.39 -3.39 0.88 0.00 0.00 0.00 0.00 23.12 20.22 2wxh s ALA 487 CO 0.45 -1.67 1.80 1.25 0.00 0.00 0.00 175.76 177.59 2wxh h LEU 488 N -0.32 0.64 -1.21 0.00 5.85 -1.98 -0.97 115.31 117.33 2wxh h LEU 488 Ca -0.47 0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.32 2wxh h LEU 488 Cb 1.27 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 42.23 2wxh h LEU 488 CO 0.51 0.22 0.32 1.05 -0.34 0.00 0.00 178.44 180.20 2wxh h GLU 489 N 0.62 0.87 -0.23 1.25 4.11 -1.98 0.92 114.58 120.14 2wxh h GLU 489 Ca 0.55 -0.10 -0.15 0.00 0.07 0.00 0.00 59.36 59.73 2wxh h GLU 489 Cb 1.05 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 2wxh h GLU 489 CO -0.32 0.66 -0.49 0.87 0.07 0.00 0.00 179.01 179.80 2wxh h LYS 490 N 0.87 0.62 0.08 1.06 1.79 -1.58 -2.08 116.57 117.34 2wxh h LYS 490 Ca 0.22 -0.36 -0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2wxh h LYS 490 Cb 0.06 0.03 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2wxh h LYS 490 CO -0.03 0.97 -0.04 0.82 -1.08 0.00 0.00 179.45 180.09 2wxh h ILE 491 N 0.49 1.08 -0.20 1.86 1.08 0.02 -2.32 117.51 119.52 2wxh h ILE 491 Ca 0.02 -0.59 -0.02 0.00 -0.39 0.00 0.00 64.86 63.89 2wxh h ILE 491 Cb 1.03 1.46 -0.01 0.00 -3.07 0.00 0.00 36.82 36.23 2wxh h ILE 491 CO 0.10 0.14 0.04 -0.07 -0.69 0.00 0.00 178.15 177.67 2wxh h LEU 492 N -0.38 0.25 0.24 1.44 3.38 0.75 -1.68 115.31 119.31 2wxh h LEU 492 Ca -0.01 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 2wxh h LEU 492 Cb 0.32 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 41.00 2wxh h LEU 492 CO 0.02 0.27 -0.14 -0.33 0.09 0.00 0.00 178.44 178.35 2wxh h GLU 493 N 0.28 -0.34 0.00 1.13 5.08 -1.27 -3.48 114.58 115.98 2wxh h GLU 493 Ca 0.07 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.45 2wxh h GLU 493 Cb 0.12 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2wxh h GLU 493 CO -0.00 -0.23 0.00 -0.11 -1.00 0.00 0.00 179.01 177.67 2wxh n LEU 494 N -5.26 0.00 0.00 1.33 7.94 -0.64 -5.10 117.00 115.28 2wxh n LEU 494 Ca -0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.81 2wxh n LEU 494 Cb 0.17 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.12 2wxh n LEU 494 CO 0.34 -0.22 0.00 0.00 -1.11 0.00 0.00 177.39 176.40 2wxh n LEU 511 N 0.00 0.00 0.09 -1.96 -0.00 -1.26 -4.87 117.00 109.01 2wxh n LEU 511 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 55.89 2wxh n LEU 511 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 2wxh n LEU 511 CO 0.00 0.00 0.67 0.03 -0.00 0.00 0.00 177.39 178.09 2wxh h ARG 512 N 0.00 -0.46 -0.47 1.47 2.47 -1.99 -2.84 114.38 112.56 2wxh h ARG 512 Ca 0.00 0.03 -0.14 0.00 -1.26 0.00 0.00 59.98 58.62 2wxh h ARG 512 Cb 0.00 0.10 -0.01 0.00 -1.65 0.00 0.00 29.97 28.41 2wxh h ARG 512 CO 0.00 -0.30 -0.24 0.93 0.56 0.00 0.00 179.97 180.92 2wxh h GLU 513 N -0.47 0.98 0.00 0.04 5.08 -2.05 -2.03 114.58 116.13 2wxh h GLU 513 Ca 0.04 -0.43 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2wxh h GLU 513 Cb 0.52 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 2wxh h GLU 513 CO -0.19 1.11 -0.07 0.97 -1.00 0.00 0.00 179.01 179.82 2wxh h ILE 514 N 0.84 0.59 0.00 3.13 6.09 -2.04 -0.64 117.51 125.48 2wxh h ILE 514 Ca 0.10 -0.31 -0.17 0.00 -1.37 0.00 0.00 64.86 63.10 2wxh h ILE 514 Cb 0.82 1.20 -0.03 0.00 0.47 0.00 0.00 36.82 39.28 2wxh h ILE 514 CO 0.07 0.07 -1.71 0.00 -3.07 0.00 0.00 178.15 173.51 2wxh n LEU 515 N -3.78 0.52 -3.78 2.19 -0.00 -1.08 -4.72 117.00 106.35 2wxh n LEU 515 Ca -0.02 0.23 -0.42 0.00 -0.00 0.00 0.00 56.01 55.79 2wxh n LEU 515 Cb 0.17 0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.74 2wxh n LEU 515 CO 0.29 0.18 2.15 1.21 -0.00 0.00 0.00 177.39 181.23 2wxh n GLU 516 N -2.74 3.65 -1.13 1.47 2.13 -0.25 -5.08 120.64 118.69 2wxh n GLU 516 Ca -0.13 -3.36 -0.01 0.00 0.66 0.00 0.00 57.16 54.32 2wxh n GLU 516 Cb 0.85 -2.93 0.00 0.00 0.27 0.00 0.00 31.44 29.63 2wxh n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2wxh n ARG 517 N 3.86 0.14 0.00 5.31 0.00 -1.26 -4.89 116.66 119.81 2wxh n ARG 517 Ca 0.45 -0.24 0.00 0.00 -0.00 0.00 0.00 57.85 58.07 2wxh n ARG 517 Cb 0.35 0.31 0.00 0.00 -0.00 0.00 0.00 32.46 33.12 2wxh n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxh n GLU 522 N -0.15 0.00 -4.01 2.89 1.02 -1.26 -5.23 120.64 113.90 2wxh n GLU 522 Ca -0.05 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.98 2wxh n GLU 522 Cb 0.46 0.00 -0.11 0.00 -0.02 0.00 0.00 31.44 31.76 2wxh n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxh s LEU 523 N 0.00 2.24 0.89 -4.62 2.34 -1.26 -5.16 118.68 113.11 2wxh s LEU 523 Ca 0.00 -0.51 -0.12 0.00 0.06 0.00 0.00 54.13 53.56 2wxh s LEU 523 Cb 0.00 -0.00 0.12 0.00 -0.56 0.00 0.00 46.19 45.75 2wxh s LEU 523 CO 0.00 -0.26 1.09 -0.31 -1.06 0.00 0.00 176.35 175.82 2wxh s TYR 524 N -1.41 2.37 0.24 3.48 2.02 -1.26 -4.75 117.35 118.05 2wxh s TYR 524 Ca -0.13 1.23 -0.05 0.00 -0.37 0.00 0.00 57.07 57.74 2wxh s TYR 524 Cb -0.10 -3.16 0.26 0.00 -0.40 0.00 0.00 41.96 38.56 2wxh s TYR 524 CO -0.00 -2.34 1.83 1.49 -1.57 0.00 0.00 175.55 174.95 2wxh h GLU 525 N -1.51 1.10 -0.12 -0.62 4.57 -2.01 -0.14 114.58 115.86 2wxh h GLU 525 Ca -0.49 -0.18 -0.10 0.00 -1.18 0.00 0.00 59.36 57.40 2wxh h GLU 525 Cb 1.28 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 29.67 2wxh h GLU 525 CO 0.55 0.88 -0.39 1.12 -1.18 0.00 0.00 179.01 179.99 2wxh h HIS 526 N 1.09 0.31 -0.37 0.92 2.07 -1.99 -1.44 115.15 115.73 2wxh h HIS 526 Ca 0.26 -0.08 -0.04 0.00 -2.85 0.00 0.00 60.37 57.66 2wxh h HIS 526 Cb 0.17 -0.07 -0.01 0.00 2.57 0.00 0.00 27.41 30.06 2wxh h HIS 526 CO 0.02 0.62 0.07 0.93 -3.07 0.00 0.00 177.93 176.50 2wxh h GLU 527 N 0.23 0.60 -0.68 5.12 5.08 -1.61 -2.08 114.58 121.25 2wxh h GLU 527 Ca 0.02 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.28 2wxh h GLU 527 Cb 0.79 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 29.91 2wxh h GLU 527 CO 0.06 0.66 0.39 0.87 -1.00 0.00 0.00 179.01 179.99 2wxh h LYS 528 N 0.45 0.70 -0.90 2.33 1.57 -0.84 -2.05 116.57 117.83 2wxh h LYS 528 Ca 0.11 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.84 2wxh h LYS 528 Cb 0.34 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.45 2wxh h LYS 528 CO 0.00 0.46 0.50 -0.44 -0.57 0.00 0.00 179.45 179.41 2wxh h ASP 529 N 0.72 1.11 -0.25 0.86 5.19 -1.09 -1.69 116.42 121.27 2wxh h ASP 529 Ca 0.30 -0.09 -0.02 0.00 -0.62 0.00 0.00 57.03 56.60 2wxh h ASP 529 Cb 0.17 -0.28 -0.01 0.00 0.18 0.00 0.00 39.33 39.38 2wxh h ASP 529 CO -0.17 0.88 0.08 0.25 -3.12 0.00 0.00 179.24 177.16 2wxh h LEU 530 N 1.25 0.37 -0.51 1.55 7.12 -0.96 0.56 115.31 124.69 2wxh h LEU 530 Ca 0.32 -0.20 0.03 0.00 0.13 0.00 0.00 57.88 58.16 2wxh h LEU 530 Cb 0.01 -0.10 -0.04 0.00 -0.53 0.00 0.00 40.66 40.00 2wxh h LEU 530 CO -0.05 0.47 0.29 0.58 -0.13 0.00 0.00 178.44 179.60 2wxh h VAL 531 N 0.24 1.01 -0.36 1.05 2.07 -1.16 0.19 116.25 119.29 2wxh h VAL 531 Ca 0.08 -0.19 -0.11 0.00 0.82 0.00 0.00 66.70 67.30 2wxh h VAL 531 Cb 0.24 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2wxh h VAL 531 CO -0.00 0.10 -0.19 -0.25 0.02 0.00 0.00 177.57 177.25 2wxh h TRP 532 N 0.56 0.89 -0.89 1.57 2.91 -1.20 -2.08 115.95 117.72 2wxh h TRP 532 Ca 0.21 -0.22 0.10 0.00 1.13 0.00 0.00 58.89 60.11 2wxh h TRP 532 Cb 0.07 -0.20 -0.08 0.00 -0.51 0.00 0.00 29.16 28.44 2wxh h TRP 532 CO -0.08 0.96 0.53 -0.22 -1.03 0.00 0.00 178.44 178.60 2wxh h LYS 533 N 0.56 0.85 -0.68 2.65 1.63 -0.57 -2.63 116.57 118.38 2wxh h LYS 533 Ca 0.08 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2wxh h LYS 533 Cb 0.74 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.18 2wxh h LYS 533 CO 0.06 0.56 0.00 -1.33 -3.45 0.00 0.00 179.45 175.29 2wxh n MET 534 N -4.69 3.99 -0.30 1.90 2.81 0.63 -4.63 117.12 116.83 2wxh n MET 534 Ca 0.15 -2.42 0.15 0.00 -1.81 0.00 0.00 57.70 53.77 2wxh n MET 534 Cb 0.29 -2.09 0.41 0.00 -0.71 0.00 0.00 33.22 31.12 2wxh n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxh h ARG 535 N 3.05 0.60 -0.62 0.03 0.11 -0.99 0.13 114.38 116.69 2wxh h ARG 535 Ca 0.00 -0.04 -0.06 0.00 0.10 0.00 0.00 59.98 59.99 2wxh h ARG 535 Cb 1.65 -0.14 -0.03 0.00 1.11 0.00 0.00 29.97 32.57 2wxh h ARG 535 CO 0.39 0.40 0.15 0.45 0.10 0.00 0.00 179.97 181.45 2wxh h HIS 536 N 0.62 1.00 -0.02 4.08 3.86 -1.86 -1.76 115.15 121.07 2wxh h HIS 536 Ca 0.51 -0.11 -0.16 0.00 -1.16 0.00 0.00 60.37 59.45 2wxh h HIS 536 Cb 0.97 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 29.14 2wxh h HIS 536 CO -0.00 0.83 -0.72 0.93 0.86 0.00 0.00 177.93 179.82 2wxh h GLU 537 N 0.92 0.15 0.22 2.45 4.39 -1.20 -1.67 114.58 119.85 2wxh h GLU 537 Ca 0.20 -0.13 0.00 0.00 0.34 0.00 0.00 59.36 59.76 2wxh h GLU 537 Cb 0.33 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2wxh h GLU 537 CO 0.00 0.81 -0.20 0.28 -1.16 0.00 0.00 179.01 178.74 2wxh h VAL 538 N 0.10 0.57 -0.03 3.13 2.07 -0.66 0.77 116.25 122.20 2wxh h VAL 538 Ca -0.02 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.52 2wxh h VAL 538 Cb 1.28 0.57 -0.02 0.00 -1.52 0.00 0.00 31.29 31.60 2wxh h VAL 538 CO 0.11 0.00 -0.06 -0.61 0.02 0.00 0.00 177.57 177.02 2wxh h GLN 539 N -0.44 -0.09 -0.02 1.57 4.15 -1.26 0.40 115.11 119.42 2wxh h GLN 539 Ca -0.01 0.01 -0.14 0.00 0.77 0.00 0.00 58.65 59.28 2wxh h GLN 539 Cb 0.40 0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2wxh h GLN 539 CO -0.03 -0.06 -0.65 0.93 -1.93 0.00 0.00 178.83 177.09 2wxh h GLU 540 N -0.10 0.08 0.00 1.69 5.08 -1.23 -3.33 114.58 116.78 2wxh h GLU 540 Ca 0.04 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2wxh h GLU 540 Cb 0.15 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wxh h GLU 540 CO -0.09 0.70 -0.89 0.72 -1.00 0.00 0.00 179.01 178.45 2wxh n HIS 541 N -3.79 0.00 -2.80 4.33 8.25 0.26 -4.81 115.22 116.65 2wxh n HIS 541 Ca -0.02 0.00 -0.17 0.00 -0.26 0.00 0.00 57.72 57.27 2wxh n HIS 541 Cb 0.64 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.75 2wxh n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxh n PHE 542 N -1.37 1.71 0.01 4.41 3.72 0.14 -4.95 117.46 121.14 2wxh n PHE 542 Ca 0.00 -3.29 0.19 0.00 -0.05 0.00 0.00 57.45 54.31 2wxh n PHE 542 Cb 0.03 -0.35 0.68 0.00 -0.94 0.00 0.00 39.48 38.90 2wxh n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxh h PRO 543 N 2.91 0.02 0.00 -1.08 0.13 -1.56 0.37 132.00 132.80 2wxh h PRO 543 Ca 0.06 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.19 2wxh h PRO 543 Cb 0.98 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 2wxh h PRO 543 CO 0.61 0.01 0.00 0.39 -0.23 0.00 0.00 178.00 178.78 2wxh n GLU 544 N -4.39 0.60 -0.65 0.86 1.02 -1.26 -2.79 120.64 114.03 2wxh n GLU 544 Ca 0.09 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.33 2wxh n GLU 544 Cb 0.58 -1.50 0.33 0.00 -0.02 0.00 0.00 31.44 30.83 2wxh n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxh n ALA 545 N -1.11 3.33 -0.24 0.62 0.00 0.12 -4.58 120.51 118.66 2wxh n ALA 545 Ca 0.15 -1.51 0.05 0.00 0.00 0.00 0.00 53.44 52.13 2wxh n ALA 545 Cb 0.12 -1.06 0.16 0.00 0.00 0.00 0.00 19.45 18.67 2wxh n ALA 545 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxh h LEU 546 N 3.58 -0.05 -0.59 0.00 5.85 -1.68 -2.24 115.31 120.17 2wxh h LEU 546 Ca 0.00 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.90 2wxh h LEU 546 Cb 1.52 0.21 -0.04 0.00 0.37 0.00 0.00 40.66 42.72 2wxh h LEU 546 CO 0.30 -0.05 0.35 0.00 -0.34 0.00 0.00 178.44 178.70 2wxh h ALA 547 N 1.60 0.77 -0.59 1.25 0.00 -1.89 -0.42 119.26 119.98 2wxh h ALA 547 Ca 0.39 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 55.30 2wxh h ALA 547 Cb 0.67 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2wxh h ALA 547 CO -0.51 0.06 0.37 -0.09 0.00 0.00 0.00 179.25 179.07 2wxh h ARG 548 N 0.68 0.80 -0.52 0.00 2.43 -1.77 -1.45 114.38 114.54 2wxh h ARG 548 Ca 0.25 -0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2wxh h ARG 548 Cb 0.07 -0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 29.42 2wxh h ARG 548 CO -0.12 0.56 0.11 1.25 -1.51 0.00 0.00 179.97 180.25 2wxh h LEU 549 N 0.80 0.76 -0.99 3.80 5.85 -1.17 -2.81 115.31 121.55 2wxh h LEU 549 Ca 0.21 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.74 2wxh h LEU 549 Cb -0.04 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 2wxh h LEU 549 CO -0.04 0.76 0.13 -0.07 -0.34 0.00 0.00 178.44 178.88 2wxh h LEU 550 N 0.78 0.81 -0.15 2.25 3.38 -0.40 -2.50 115.31 119.48 2wxh h LEU 550 Ca 0.17 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2wxh h LEU 550 Cb 0.32 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2wxh h LEU 550 CO 0.00 0.80 0.00 0.18 0.09 0.00 0.00 178.44 179.51 2wxh n LEU 551 N -4.27 0.40 0.00 1.67 4.77 -0.61 -2.92 117.00 116.04 2wxh n LEU 551 Ca 0.04 0.56 0.11 0.00 -0.03 0.00 0.00 56.01 56.69 2wxh n LEU 551 Cb 0.23 -0.46 -0.12 0.00 -2.33 0.00 0.00 43.42 40.74 2wxh n LEU 551 CO 0.40 -0.22 -0.43 1.33 -1.33 0.00 0.00 177.39 177.14 2wxh n VAL 552 N -1.90 0.05 -2.40 4.08 0.24 -1.04 -4.99 118.33 112.37 2wxh n VAL 552 Ca 0.05 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 61.68 2wxh n VAL 552 Cb 0.31 0.30 -0.02 0.00 -1.47 0.00 0.00 33.84 32.97 2wxh n VAL 552 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 2wxh s THR 553 N -3.32 3.47 -0.75 3.34 -4.23 -0.97 -4.96 115.64 108.21 2wxh s THR 553 Ca -0.02 0.92 -0.21 0.00 -1.18 0.00 0.00 61.69 61.20 2wxh s THR 553 Cb 0.14 -3.38 0.09 0.00 1.34 0.00 0.00 72.50 70.69 2wxh s THR 553 CO 0.88 -0.19 1.03 -0.54 -0.54 0.00 0.00 174.62 175.26 2wxh s LYS 554 N -3.22 3.27 0.24 3.99 -0.14 -1.26 -4.86 119.74 117.76 2wxh s LYS 554 Ca 0.70 -1.12 0.24 0.00 -1.36 0.00 0.00 55.97 54.42 2wxh s LYS 554 Cb -0.20 -4.47 0.95 0.00 -1.68 0.00 0.00 37.83 32.42 2wxh s LYS 554 CO 0.24 -1.82 1.72 0.91 -0.76 0.00 0.00 175.35 175.64 2wxh n TRP 555 N 7.40 0.81 -0.01 3.18 7.02 -1.26 -2.31 117.44 132.27 2wxh n TRP 555 Ca 0.06 0.30 0.07 0.00 -1.02 0.00 0.00 57.50 56.91 2wxh n TRP 555 Cb 0.47 -0.99 0.26 0.00 -2.42 0.00 0.00 31.31 28.63 2wxh n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxh n ASN 556 N -2.22 3.57 -3.82 -0.99 6.94 -1.26 -4.31 115.26 113.16 2wxh n ASN 556 Ca 0.03 -2.28 -0.27 0.00 -0.02 0.00 0.00 54.58 52.04 2wxh n ASN 556 Cb 0.26 -0.48 -0.17 0.00 -2.36 0.00 0.00 39.78 37.04 2wxh n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wxh s LYS 557 N -1.70 1.05 0.31 -3.83 -0.14 -0.98 -4.87 119.74 109.59 2wxh s LYS 557 Ca 0.38 -0.33 0.03 0.00 -1.36 0.00 0.00 55.97 54.69 2wxh s LYS 557 Cb 0.24 -1.76 0.52 0.00 -1.68 0.00 0.00 37.83 35.15 2wxh s LYS 557 CO 0.19 -0.44 1.83 1.12 -0.76 0.00 0.00 175.35 177.29 2wxh h HIS 558 N 8.20 0.59 -0.36 3.18 2.07 -1.83 -1.94 115.15 125.06 2wxh h HIS 558 Ca -0.21 -0.08 0.04 0.00 -2.85 0.00 0.00 60.37 57.27 2wxh h HIS 558 Cb 1.12 -0.17 -0.04 0.00 2.57 0.00 0.00 27.41 30.90 2wxh h HIS 558 CO 0.42 0.61 0.15 0.93 -3.07 0.00 0.00 177.93 176.96 2wxh h GLU 559 N 0.53 0.31 -0.58 5.12 5.08 -1.93 -0.10 114.58 123.01 2wxh h GLU 559 Ca 0.11 -0.02 -0.08 0.00 -1.00 0.00 0.00 59.36 58.37 2wxh h GLU 559 Cb 0.41 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2wxh h GLU 559 CO 0.02 0.21 0.05 -0.44 -1.00 0.00 0.00 179.01 177.84 2wxh h ASP 560 N 0.32 0.93 -0.50 1.42 5.19 -1.67 -2.01 116.42 120.10 2wxh h ASP 560 Ca 0.16 -0.23 -0.04 0.00 -0.62 0.00 0.00 57.03 56.31 2wxh h ASP 560 Cb 0.11 -0.25 -0.02 0.00 0.18 0.00 0.00 39.33 39.35 2wxh h ASP 560 CO -0.14 0.96 0.17 0.58 -3.12 0.00 0.00 179.24 177.70 2wxh h VAL 561 N 0.90 1.22 -0.33 -1.35 2.07 -1.12 -1.42 116.25 116.22 2wxh h VAL 561 Ca 0.17 -0.72 0.05 0.00 0.82 0.00 0.00 66.70 67.03 2wxh h VAL 561 Cb 0.46 0.76 -0.05 0.00 -1.52 0.00 0.00 31.29 30.94 2wxh h VAL 561 CO 0.02 0.27 0.03 0.00 0.02 0.00 0.00 177.57 177.91 2wxh h ALA 562 N 1.03 0.33 -0.62 1.67 0.00 -0.73 -0.50 119.26 120.43 2wxh h ALA 562 Ca 0.16 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.14 2wxh h ALA 562 Cb 0.24 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.12 2wxh h ALA 562 CO -0.01 -0.37 0.33 1.96 0.00 0.00 0.00 179.25 181.15 2wxh h GLN 563 N 0.14 0.87 -0.17 0.00 4.20 -1.22 -1.93 115.11 116.99 2wxh h GLN 563 Ca 0.16 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.70 2wxh h GLN 563 Cb 0.20 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 27.81 2wxh h GLN 563 CO -0.24 0.65 -0.16 1.98 -0.67 0.00 0.00 178.83 180.38 2wxh h MET 564 N 0.87 0.41 -0.95 1.46 4.05 -0.75 -3.17 114.93 116.85 2wxh h MET 564 Ca 0.22 -0.22 0.00 0.00 -0.28 0.00 0.00 59.70 59.43 2wxh h MET 564 Cb 0.05 0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 30.81 2wxh h MET 564 CO -0.03 0.78 0.60 -0.07 0.23 0.00 0.00 176.91 178.42 2wxh h LEU 565 N 0.07 1.12 -0.94 3.39 4.07 -0.96 -1.01 115.31 121.05 2wxh h LEU 565 Ca 0.03 -0.05 0.01 0.00 0.08 0.00 0.00 57.88 57.95 2wxh h LEU 565 Cb 0.70 -0.28 -0.05 0.00 1.08 0.00 0.00 40.66 42.11 2wxh h LEU 565 CO 0.04 0.84 0.62 0.22 -1.08 0.00 0.00 178.44 179.08 2wxh h TYR 566 N 1.30 1.19 -0.27 1.13 3.20 -1.40 -0.84 116.97 121.29 2wxh h TYR 566 Ca 0.35 0.03 -0.16 0.00 3.14 0.00 0.00 58.73 62.09 2wxh h TYR 566 Cb -0.10 -0.40 -0.01 0.00 1.54 0.00 0.00 36.73 37.76 2wxh h TYR 566 CO 0.00 0.75 -0.46 -0.07 -1.64 0.00 0.00 178.16 176.74 2wxh h LEU 567 N 1.28 0.76 -1.11 2.82 3.38 -1.46 -3.22 115.31 117.76 2wxh h LEU 567 Ca 0.35 -0.37 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 2wxh h LEU 567 Cb -0.15 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.36 2wxh h LEU 567 CO -0.07 1.11 0.21 0.25 0.09 0.00 0.00 178.44 180.02 2wxh h LEU 568 N 0.56 0.77 -0.82 1.67 5.85 -0.51 -2.38 115.31 120.46 2wxh h LEU 568 Ca 0.03 -0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.65 2wxh h LEU 568 Cb 1.02 -0.20 0.00 0.00 0.37 0.00 0.00 40.66 41.85 2wxh h LEU 568 CO 0.10 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.91 2wxh n SER 570 N -2.56 3.02 -4.72 0.00 3.41 -0.98 -5.03 113.62 106.77 2wxh n SER 570 Ca 0.02 -2.03 -0.42 0.00 -0.26 0.00 0.00 58.87 56.18 2wxh n SER 570 Cb 0.29 -0.26 -0.03 0.00 -0.26 0.00 0.00 64.21 63.95 2wxh n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxh s TRP 571 N -1.06 3.47 0.59 7.33 -0.11 -0.87 -5.00 118.94 123.30 2wxh s TRP 571 Ca 0.25 1.38 -0.19 0.00 1.22 0.00 0.00 56.10 58.77 2wxh s TRP 571 Cb 0.14 -3.38 -0.04 0.00 -1.50 0.00 0.00 33.47 28.68 2wxh s TRP 571 CO 0.17 -1.10 1.21 -1.25 -4.62 0.00 0.00 176.95 171.35 2wxh s PRO 572 N 0.65 2.98 0.52 5.86 0.04 -1.26 -4.96 135.00 138.83 2wxh s PRO 572 Ca 0.56 1.82 -0.21 0.00 0.04 0.00 0.00 61.00 63.21 2wxh s PRO 572 Cb -0.30 -1.93 -0.07 0.00 0.04 0.00 0.00 34.50 32.25 2wxh s PRO 572 CO 0.31 -1.20 1.09 0.39 0.04 0.00 0.00 177.00 177.64 2wxh n GLU 573 N -1.59 1.30 -4.16 4.56 1.02 -1.26 -5.02 120.64 115.50 2wxh n GLU 573 Ca 0.14 0.48 -0.22 0.00 -0.02 0.00 0.00 57.16 57.53 2wxh n GLU 573 Cb 0.50 -2.25 -0.06 0.00 -0.02 0.00 0.00 31.44 29.61 2wxh n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxh s LEU 574 N -1.91 3.46 0.79 -4.62 1.43 -1.26 -5.06 118.68 111.52 2wxh s LEU 574 Ca 0.70 -0.51 -0.14 0.00 -1.03 0.00 0.00 54.13 53.15 2wxh s LEU 574 Cb -0.46 -1.99 0.05 0.00 0.03 0.00 0.00 46.19 43.82 2wxh s LEU 574 CO 0.51 -0.09 1.03 -2.65 0.23 0.00 0.00 176.35 175.38 2wxh n PRO 575 N -1.08 0.24 -0.25 1.29 -0.02 -1.26 -4.74 135.00 129.18 2wxh n PRO 575 Ca -0.06 0.15 0.04 0.00 -2.02 0.00 0.00 63.50 61.61 2wxh n PRO 575 Cb 0.59 -2.30 0.17 0.00 -0.02 0.00 0.00 33.50 31.94 2wxh n PRO 575 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wxh h VAL 576 N -0.76 0.67 -0.53 -1.45 2.07 -1.99 -1.25 116.25 113.01 2wxh h VAL 576 Ca -0.46 -0.15 0.08 0.00 0.82 0.00 0.00 66.70 66.99 2wxh h VAL 576 Cb 1.31 0.21 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2wxh h VAL 576 CO 0.45 0.08 0.16 0.25 0.02 0.00 0.00 177.57 178.53 2wxh h LEU 577 N 0.43 0.13 -0.56 2.57 5.85 -1.96 -1.03 115.31 120.73 2wxh h LEU 577 Ca 0.39 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 59.13 2wxh h LEU 577 Cb 0.58 0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 2wxh h LEU 577 CO -0.39 0.09 0.14 0.28 -0.34 0.00 0.00 178.44 178.22 2wxh h SER 578 N 0.32 0.86 0.05 1.25 0.02 -1.68 -2.79 113.55 111.58 2wxh h SER 578 Ca 0.26 -0.23 -0.03 0.00 -0.84 0.00 0.00 61.79 60.95 2wxh h SER 578 Cb 0.32 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.63 2wxh h SER 578 CO -0.29 0.87 -0.09 0.00 -1.14 0.00 0.00 176.83 176.18 2wxh h ALA 579 N 1.02 1.72 -0.35 3.77 0.00 -0.49 -2.48 119.26 122.46 2wxh h ALA 579 Ca 0.18 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.87 2wxh h ALA 579 Cb 0.35 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2wxh h ALA 579 CO 0.00 0.21 -0.15 -0.07 0.00 0.00 0.00 179.25 179.24 2wxh h LEU 580 N 0.11 0.62 -0.87 0.00 3.38 -0.94 -2.43 115.31 115.19 2wxh h LEU 580 Ca 0.02 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 2wxh h LEU 580 Cb 0.23 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2wxh h LEU 580 CO 0.01 0.80 0.29 -0.08 0.09 0.00 0.00 178.44 179.55 2wxh h GLU 581 N 0.57 1.12 0.00 1.13 4.81 -1.41 -2.93 114.58 117.87 2wxh h GLU 581 Ca 0.10 -0.20 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 2wxh h GLU 581 Cb 0.59 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.79 2wxh h GLU 581 CO 0.04 0.91 0.00 1.28 -0.73 0.00 0.00 179.01 180.51 2wxh n LEU 582 N -4.28 0.62 -0.02 1.64 4.77 -0.93 -1.81 117.00 117.00 2wxh n LEU 582 Ca 0.07 0.65 0.15 0.00 -0.03 0.00 0.00 56.01 56.84 2wxh n LEU 582 Cb 0.19 -0.56 0.73 0.00 -2.33 0.00 0.00 43.42 41.45 2wxh n LEU 582 CO 0.40 -0.52 0.99 0.18 -1.33 0.00 0.00 177.39 177.12 2wxh n LEU 583 N -2.18 0.09 -4.75 2.23 4.77 -1.10 -4.64 117.00 111.41 2wxh n LEU 583 Ca 0.02 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 55.87 2wxh n LEU 583 Cb 0.24 -0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.10 2wxh n LEU 583 CO 0.20 0.02 0.85 -0.62 -1.33 0.00 0.00 177.39 176.50 2wxh s ASP 584 N -2.55 5.19 0.54 -1.43 2.15 -0.75 -4.89 116.67 114.92 2wxh s ASP 584 Ca 0.29 2.41 0.31 0.00 0.43 0.00 0.00 52.55 55.99 2wxh s ASP 584 Cb 0.20 -2.60 1.70 0.00 -0.30 0.00 0.00 42.92 41.92 2wxh s ASP 584 CO 0.47 -1.60 1.94 0.15 -0.17 0.00 0.00 175.17 175.96 2wxh h PHE 585 N 0.91 0.00 0.00 -5.34 3.57 -1.89 -0.65 116.94 113.54 2wxh h PHE 585 Ca -0.50 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.00 2wxh h PHE 585 Cb 1.30 0.00 0.00 0.00 2.79 0.00 0.00 35.95 40.04 2wxh h PHE 585 CO 0.46 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 176.97 2wxh n SER 586 N -2.69 0.00 -3.32 0.41 7.64 -1.26 -3.82 113.62 110.58 2wxh n SER 586 Ca -0.02 0.19 -0.26 0.00 1.01 0.00 0.00 58.87 59.79 2wxh n SER 586 Cb 0.17 -0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 62.99 2wxh n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxh n PHE 587 N -1.30 1.53 0.24 1.43 3.72 -0.25 -4.87 117.46 117.96 2wxh n PHE 587 Ca 0.04 -3.84 0.14 0.00 -0.05 0.00 0.00 57.45 53.74 2wxh n PHE 587 Cb 0.07 -0.43 0.41 0.00 -0.94 0.00 0.00 39.48 38.59 2wxh n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxh h PRO 588 N 4.16 0.00 -6.94 -1.08 0.13 -1.80 -3.42 132.00 123.06 2wxh h PRO 588 Ca 0.14 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.73 2wxh h PRO 588 Cb 0.78 0.00 0.10 0.00 0.13 0.00 0.00 31.00 32.01 2wxh h PRO 588 CO 0.64 0.02 0.72 0.34 -0.23 0.00 0.00 178.00 179.49 2wxh s ASP 589 N -5.98 6.37 0.33 1.44 2.15 -1.26 -4.85 116.67 114.87 2wxh s ASP 589 Ca 0.04 2.92 0.13 0.00 0.43 0.00 0.00 52.55 56.07 2wxh s ASP 589 Cb 0.07 -2.66 0.55 0.00 -0.30 0.00 0.00 42.92 40.58 2wxh s ASP 589 CO 0.61 -0.84 1.72 0.00 -0.17 0.00 0.00 175.17 176.49 2wxh h TYR 591 N 0.00 0.88 -0.45 0.00 0.05 -1.98 -0.29 116.97 115.18 2wxh h TYR 591 Ca -0.00 -0.23 0.01 0.00 0.05 0.00 0.00 58.73 58.55 2wxh h TYR 591 Cb 0.89 -0.20 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 2wxh h TYR 591 CO 0.00 0.98 0.29 0.28 -1.05 0.00 0.00 178.16 178.65 2wxh h VAL 592 N 0.53 1.09 -0.51 -2.88 2.07 -1.85 0.14 116.25 114.85 2wxh h VAL 592 Ca 0.07 -0.20 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 2wxh h VAL 592 Cb 0.77 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 30.97 2wxh h VAL 592 CO 0.06 0.11 0.18 1.23 0.02 0.00 0.00 177.57 179.16 2wxh h GLY 593 N 0.59 0.80 0.99 2.17 0.00 -0.93 0.21 103.07 106.88 2wxh h GLY 593 Ca 0.17 -0.41 -0.15 0.00 0.00 0.00 0.00 47.33 46.94 2wxh h GLY 593 CO -0.05 0.39 -0.46 0.23 0.00 0.00 0.00 176.54 176.65 2wxh h SER 594 N 0.73 0.76 -0.55 0.19 0.87 -0.71 -2.36 113.55 112.48 2wxh h SER 594 Ca 0.17 -0.56 0.08 0.00 -1.23 0.00 0.00 61.79 60.25 2wxh h SER 594 Cb 0.19 -0.22 -0.06 0.00 -0.44 0.00 0.00 62.40 61.87 2wxh h SER 594 CO -0.01 1.18 0.21 0.15 -0.53 0.00 0.00 176.83 177.83 2wxh h PHE 595 N 0.37 0.37 0.00 2.24 3.57 -0.39 -1.77 116.94 121.34 2wxh h PHE 595 Ca 0.00 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.55 2wxh h PHE 595 Cb 1.07 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 39.69 2wxh h PHE 595 CO 0.09 0.12 -0.15 0.00 -2.23 0.00 0.00 178.31 176.13 2wxh h ALA 596 N 1.36 -0.19 -0.52 2.41 0.00 -0.84 -1.49 119.26 120.00 2wxh h ALA 596 Ca 0.27 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.21 2wxh h ALA 596 Cb 0.29 0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 2wxh h ALA 596 CO -0.26 -0.65 0.30 0.82 0.00 0.00 0.00 179.25 179.46 2wxh h ILE 597 N -0.26 1.04 -0.83 0.00 1.08 -1.36 -1.63 117.51 115.56 2wxh h ILE 597 Ca 0.05 -0.21 0.11 0.00 -0.39 0.00 0.00 64.86 64.42 2wxh h ILE 597 Cb 0.32 0.39 -0.08 0.00 -3.07 0.00 0.00 36.82 34.38 2wxh h ILE 597 CO -0.15 0.11 0.46 0.50 -0.69 0.00 0.00 178.15 178.38 2wxh h LYS 598 N 0.60 0.71 0.00 2.37 3.64 -0.94 0.12 116.57 123.07 2wxh h LYS 598 Ca 0.21 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.55 2wxh h LYS 598 Cb 0.04 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.70 2wxh h LYS 598 CO -0.10 0.47 0.00 0.77 -2.27 0.00 0.00 179.45 178.32 2wxh h SER 599 N 0.73 0.00 0.43 4.20 0.02 -0.80 -3.10 113.55 115.03 2wxh h SER 599 Ca 0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.36 2wxh h SER 599 Cb 0.45 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.99 2wxh h SER 599 CO -0.28 0.00 -0.40 0.18 -1.14 0.00 0.00 176.83 175.19 2wxh n LEU 600 N -3.04 0.64 0.27 5.07 4.77 0.30 -3.97 117.00 121.04 2wxh n LEU 600 Ca 0.01 -0.06 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 2wxh n LEU 600 Cb 0.35 -0.22 0.77 0.00 -2.33 0.00 0.00 43.42 41.99 2wxh n LEU 600 CO 0.28 0.14 1.01 0.03 -1.33 0.00 0.00 177.39 177.52 2wxh h ARG 601 N 0.37 0.00 0.00 3.23 3.08 -1.18 -1.46 114.38 118.41 2wxh h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxh h ARG 601 Cb 0.50 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.55 2wxh h ARG 601 CO 0.00 0.09 0.00 0.36 -1.07 0.00 0.00 179.97 179.35 2wxh n LYS 602 N -3.68 0.79 -1.65 0.04 2.85 -1.25 -4.85 118.16 110.41 2wxh n LYS 602 Ca -0.02 0.01 -0.47 0.00 -1.05 0.00 0.00 58.31 56.78 2wxh n LYS 602 Cb 0.20 -1.50 -0.04 0.00 -0.65 0.00 0.00 35.03 33.04 2wxh n LYS 602 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2wxh n LEU 603 N -1.06 2.73 -4.78 -5.58 4.77 -0.55 -4.98 117.00 107.55 2wxh n LEU 603 Ca 0.20 1.11 -0.31 0.00 -0.03 0.00 0.00 56.01 56.97 2wxh n LEU 603 Cb 0.12 -1.37 0.08 0.00 -2.33 0.00 0.00 43.42 39.92 2wxh n LEU 603 CO 0.17 -0.53 0.71 0.42 -1.33 0.00 0.00 177.39 176.83 2wxh s THR 604 N 0.56 3.42 0.40 -5.08 -4.23 -1.26 -4.82 115.64 104.63 2wxh s THR 604 Ca 0.77 0.50 0.09 0.00 -1.18 0.00 0.00 61.69 61.87 2wxh s THR 604 Cb -0.74 -3.02 0.29 0.00 1.34 0.00 0.00 72.50 70.38 2wxh s THR 604 CO 0.43 -0.57 2.00 0.44 -0.54 0.00 0.00 174.62 176.38 2wxh h ASP 605 N -0.85 0.51 -0.43 3.99 3.32 -1.99 0.50 116.42 121.47 2wxh h ASP 605 Ca -0.44 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.56 2wxh h ASP 605 Cb 1.23 -0.11 -0.02 0.00 0.22 0.00 0.00 39.33 40.65 2wxh h ASP 605 CO 0.53 0.34 0.07 0.44 -1.72 0.00 0.00 179.24 178.90 2wxh h ASP 606 N 0.58 0.69 -0.24 6.45 3.32 -1.99 0.45 116.42 125.69 2wxh h ASP 606 Ca 0.24 -0.26 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 2wxh h ASP 606 Cb 0.21 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 2wxh h ASP 606 CO -0.07 0.77 0.05 -0.33 -1.72 0.00 0.00 179.24 177.94 2wxh h GLU 607 N 0.58 0.38 -0.42 3.56 5.08 -1.81 -1.06 114.58 120.88 2wxh h GLU 607 Ca 0.13 -0.09 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2wxh h GLU 607 Cb 0.37 -0.05 -0.05 0.00 0.50 0.00 0.00 28.75 29.52 2wxh h GLU 607 CO 0.01 0.49 0.12 1.25 -1.00 0.00 0.00 179.01 179.88 2wxh h LEU 608 N 0.20 0.09 -0.42 1.33 5.85 -0.77 -0.65 115.31 120.95 2wxh h LEU 608 Ca 0.07 0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.89 2wxh h LEU 608 Cb 0.29 0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.34 2wxh h LEU 608 CO 0.00 0.09 0.20 0.15 -0.34 0.00 0.00 178.44 178.54 2wxh h PHE 609 N 0.27 0.37 -0.64 1.25 3.57 -0.77 0.58 116.94 121.57 2wxh h PHE 609 Ca 0.20 0.02 0.08 0.00 3.53 0.00 0.00 57.97 61.80 2wxh h PHE 609 Cb 0.22 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 38.81 2wxh h PHE 609 CO -0.17 0.19 0.43 0.37 -2.23 0.00 0.00 178.31 176.89 2wxh h GLN 610 N 0.41 0.53 -0.54 1.11 5.75 -0.18 -2.52 115.11 119.67 2wxh h GLN 610 Ca 0.18 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.65 2wxh h GLN 610 Cb 0.10 -0.12 0.00 0.00 1.07 0.00 0.00 27.48 28.53 2wxh h GLN 610 CO -0.13 0.35 0.00 0.66 -2.65 0.00 0.00 178.83 177.05 2wxh n TYR 611 N -4.48 0.71 -0.22 3.99 4.01 -0.35 -4.66 117.16 116.17 2wxh n TYR 611 Ca 0.10 -0.45 -0.05 0.00 -0.16 0.00 0.00 57.90 57.34 2wxh n TYR 611 Cb 0.31 -0.01 0.05 0.00 -0.31 0.00 0.00 39.34 39.38 2wxh n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxh h LEU 612 N 3.52 0.69 -0.64 7.72 5.85 -0.43 -2.16 115.31 129.85 2wxh h LEU 612 Ca 0.00 -0.01 0.09 0.00 0.84 0.00 0.00 57.88 58.79 2wxh h LEU 612 Cb 0.89 -0.16 -0.07 0.00 0.37 0.00 0.00 40.66 41.69 2wxh h LEU 612 CO 0.00 0.49 0.29 0.25 -0.34 0.00 0.00 178.44 179.13 2wxh h LEU 613 N 0.81 0.35 -0.29 2.25 5.85 -1.83 -0.58 115.31 121.88 2wxh h LEU 613 Ca 0.23 0.06 -0.19 0.00 0.84 0.00 0.00 57.88 58.83 2wxh h LEU 613 Cb -0.07 0.01 0.00 0.00 0.37 0.00 0.00 40.66 40.98 2wxh h LEU 613 CO -0.06 0.21 -0.57 1.56 -0.34 0.00 0.00 178.44 179.23 2wxh h GLN 614 N 0.51 0.87 -0.61 1.25 7.50 -1.77 -2.22 115.11 120.63 2wxh h GLN 614 Ca 0.32 -0.57 -0.03 0.00 0.50 0.00 0.00 58.65 58.87 2wxh h GLN 614 Cb 0.35 0.07 -0.03 0.00 0.05 0.00 0.00 27.48 27.92 2wxh h GLN 614 CO -0.27 1.20 0.25 -0.07 -1.50 0.00 0.00 178.83 178.44 2wxh h LEU 615 N 0.66 0.81 -0.60 1.46 3.38 -0.94 -1.35 115.31 118.73 2wxh h LEU 615 Ca 0.01 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2wxh h LEU 615 Cb 1.18 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.70 2wxh h LEU 615 CO 0.13 0.73 0.16 0.58 0.09 0.00 0.00 178.44 180.12 2wxh h VAL 616 N 0.88 1.25 -0.68 1.22 2.07 -1.04 -3.00 116.25 116.96 2wxh h VAL 616 Ca 0.21 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.86 2wxh h VAL 616 Cb 0.16 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2wxh h VAL 616 CO -0.02 0.33 0.44 1.56 0.02 0.00 0.00 177.57 179.90 2wxh h GLN 617 N 0.86 0.90 0.00 1.57 1.08 -0.78 -2.11 115.11 116.64 2wxh h GLN 617 Ca 0.19 -0.06 -0.00 0.00 -1.45 0.00 0.00 58.65 57.33 2wxh h GLN 617 Cb 0.33 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.56 2wxh h GLN 617 CO -0.00 0.60 -0.00 0.28 -0.95 0.00 0.00 178.83 178.75 2wxh h VAL 618 N 0.92 0.34 -0.31 -0.54 2.07 -1.12 -1.44 116.25 116.17 2wxh h VAL 618 Ca 0.25 -0.02 0.09 0.00 0.82 0.00 0.00 66.70 67.84 2wxh h VAL 618 Cb -0.09 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 30.68 2wxh h VAL 618 CO -0.05 0.00 0.23 -0.07 0.02 0.00 0.00 177.57 177.70 2wxh h LEU 619 N 0.00 0.00 -1.77 2.57 3.38 -1.38 -0.29 115.31 117.81 2wxh h LEU 619 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wxh h LEU 619 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 2wxh h LEU 619 CO 0.00 0.00 0.00 0.11 0.09 0.00 0.00 178.44 178.64 2wxh h LYS 620 N 0.00 0.00 0.00 1.13 1.57 -1.42 -1.76 116.57 116.09 2wxh h LYS 620 Ca 0.15 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2wxh h LYS 620 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2wxh h LYS 620 CO -0.00 0.00 -0.58 0.66 -0.57 0.00 0.00 179.45 178.96 2wxh n TYR 621 N -2.83 0.21 -2.08 -1.35 4.01 -0.12 -4.72 117.16 110.28 2wxh n TYR 621 Ca -0.00 0.06 -0.39 0.00 -0.16 0.00 0.00 57.90 57.41 2wxh n TYR 621 Cb 0.19 -0.41 -0.01 0.00 -0.31 0.00 0.00 39.34 38.80 2wxh n TYR 621 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wxh s GLU 622 N -3.08 3.95 -0.05 -0.72 0.41 -0.66 -4.95 118.70 113.60 2wxh s GLU 622 Ca 0.09 2.11 0.16 0.00 -0.41 0.00 0.00 54.97 56.92 2wxh s GLU 622 Cb 0.16 -2.72 -0.21 0.00 -1.78 0.00 0.00 34.13 29.57 2wxh s GLU 622 CO 0.71 -0.49 0.55 0.43 -0.49 0.00 0.00 175.26 175.97 2wxh n SER 623 N 0.07 0.57 -4.27 -0.19 7.64 -1.26 -4.81 113.62 111.38 2wxh n SER 623 Ca 0.04 0.26 -0.15 0.00 1.01 0.00 0.00 58.87 60.03 2wxh n SER 623 Cb 0.44 0.46 -0.10 0.00 -1.01 0.00 0.00 64.21 64.00 2wxh n SER 623 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wxh s TYR 624 N -2.76 1.34 0.00 1.43 2.02 -1.26 -4.92 117.35 113.21 2wxh s TYR 624 Ca -0.06 -0.74 -0.21 0.00 -0.37 0.00 0.00 57.07 55.69 2wxh s TYR 624 Cb 0.08 -0.68 -0.20 0.00 -0.40 0.00 0.00 41.96 40.77 2wxh s TYR 624 CO 0.83 0.11 1.18 -0.07 -1.57 0.00 0.00 175.55 176.03 2wxh h LEU 625 N 2.73 0.38 -8.57 -1.29 3.38 -1.93 -3.40 115.31 106.62 2wxh h LEU 625 Ca -0.37 -0.65 -0.61 0.00 0.09 0.00 0.00 57.88 56.34 2wxh h LEU 625 Cb 1.20 -0.11 -0.11 0.00 0.09 0.00 0.00 40.66 41.72 2wxh h LEU 625 CO 0.63 0.97 0.58 -0.62 0.09 0.00 0.00 178.44 180.09 2wxh s ASP 626 N -6.37 6.41 0.10 -0.43 2.15 -1.26 -4.92 116.67 112.35 2wxh s ASP 626 Ca -0.14 -0.14 -0.06 0.00 0.43 0.00 0.00 52.55 52.64 2wxh s ASP 626 Cb 0.03 -2.44 -0.02 0.00 -0.30 0.00 0.00 42.92 40.19 2wxh s ASP 626 CO 0.77 -1.15 0.14 0.00 -0.17 0.00 0.00 175.17 174.75 2wxh h GLU 628 N 2.82 1.12 -0.45 0.00 4.39 -1.95 -2.50 114.58 118.02 2wxh h GLU 628 Ca -0.34 -0.08 -0.05 0.00 0.34 0.00 0.00 59.36 59.23 2wxh h GLU 628 Cb 1.19 -0.25 -0.02 0.00 -0.10 0.00 0.00 28.75 29.58 2wxh h GLU 628 CO 0.57 0.76 0.08 1.25 -1.16 0.00 0.00 179.01 180.51 2wxh h LEU 629 N 1.15 0.71 -0.49 1.33 5.85 -1.97 -0.40 115.31 121.49 2wxh h LEU 629 Ca 0.31 -0.25 -0.01 0.00 0.84 0.00 0.00 57.88 58.76 2wxh h LEU 629 Cb -0.10 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.72 2wxh h LEU 629 CO -0.06 0.78 0.25 0.74 -0.34 0.00 0.00 178.44 179.81 2wxh h THR 630 N 0.61 1.18 -0.37 1.05 2.02 -1.87 0.02 112.91 115.54 2wxh h THR 630 Ca 0.14 -0.49 -0.00 0.00 0.77 0.00 0.00 66.41 66.82 2wxh h THR 630 Cb 0.37 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.36 2wxh h THR 630 CO 0.01 0.20 0.21 0.50 0.37 0.00 0.00 175.52 176.81 2wxh h LYS 631 N 0.65 0.51 -0.22 6.66 1.63 -1.34 -1.22 116.57 123.25 2wxh h LYS 631 Ca 0.17 -0.05 0.05 0.00 -0.85 0.00 0.00 60.65 59.97 2wxh h LYS 631 Cb 0.09 -0.10 -0.05 0.00 -0.60 0.00 0.00 32.23 31.56 2wxh h LYS 631 CO -0.02 0.40 -0.10 0.35 -3.45 0.00 0.00 179.45 176.62 2wxh h PHE 632 N 0.48 -0.25 -0.44 1.91 3.57 -0.75 -0.45 116.94 121.02 2wxh h PHE 632 Ca 0.13 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 2wxh h PHE 632 Cb 0.03 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2wxh h PHE 632 CO -0.03 -0.16 -0.00 -0.07 -2.23 0.00 0.00 178.31 175.82 2wxh h LEU 633 N -0.08 0.76 -0.43 0.59 3.38 -0.85 -1.22 115.31 117.46 2wxh h LEU 633 Ca 0.12 -0.31 -0.03 0.00 0.09 0.00 0.00 57.88 57.74 2wxh h LEU 633 Cb 0.25 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 2wxh h LEU 633 CO -0.27 0.88 0.13 0.25 0.09 0.00 0.00 178.44 179.53 2wxh h LEU 634 N 0.62 0.63 -0.32 1.67 5.85 -1.12 -0.17 115.31 122.46 2wxh h LEU 634 Ca 0.12 -0.21 0.03 0.00 0.84 0.00 0.00 57.88 58.66 2wxh h LEU 634 Cb 0.49 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.33 2wxh h LEU 634 CO 0.02 0.67 0.14 1.23 -0.34 0.00 0.00 178.44 180.16 2wxh h GLY 635 N 0.55 0.42 1.19 3.75 0.00 -0.93 -0.66 103.07 107.39 2wxh h GLY 635 Ca 0.14 -0.10 -0.09 0.00 0.00 0.00 0.00 47.33 47.28 2wxh h GLY 635 CO -0.00 0.07 0.00 3.21 0.00 0.00 0.00 176.54 179.82 2wxh h ARG 636 N 0.30 0.98 -0.55 4.80 2.47 -1.08 -2.30 114.38 119.01 2wxh h ARG 636 Ca 0.14 -0.29 -0.06 0.00 -1.26 0.00 0.00 59.98 58.50 2wxh h ARG 636 Cb 0.07 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.27 2wxh h ARG 636 CO -0.11 0.96 0.09 0.00 0.56 0.00 0.00 179.97 181.47 2wxh h ALA 637 N 1.09 1.13 0.00 0.04 0.00 -0.82 -1.88 119.26 118.82 2wxh h ALA 637 Ca 0.17 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 2wxh h ALA 637 Cb 0.52 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2wxh h ALA 637 CO 0.03 0.57 -0.03 -0.07 0.00 0.00 0.00 179.25 179.75 2wxh h LEU 638 N 0.83 0.00 -0.34 0.00 3.38 -0.96 -3.09 115.31 115.13 2wxh h LEU 638 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2wxh h LEU 638 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2wxh h LEU 638 CO 0.01 0.03 -0.48 0.00 0.09 0.00 0.00 178.44 178.08 2wxh n ALA 639 N -2.11 3.55 -3.37 1.53 0.00 -0.88 -4.82 120.51 114.42 2wxh n ALA 639 Ca 0.03 -0.45 -0.10 0.00 0.00 0.00 0.00 53.44 52.92 2wxh n ALA 639 Cb 0.47 -1.02 -0.08 0.00 0.00 0.00 0.00 19.45 18.82 2wxh n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxh s ASN 640 N -2.73 0.32 0.49 0.00 3.84 -0.74 -4.60 114.94 111.52 2wxh s ASN 640 Ca 0.17 0.21 0.27 0.00 0.21 0.00 0.00 52.86 53.72 2wxh s ASN 640 Cb 0.18 1.06 1.16 0.00 -0.55 0.00 0.00 41.25 43.11 2wxh s ASN 640 CO 0.64 -0.30 1.92 -0.09 -2.79 0.00 0.00 177.10 176.48 2wxh h ARG 641 N 8.19 0.00 -0.15 0.43 2.43 -1.38 -0.69 114.38 123.21 2wxh h ARG 641 Ca -0.19 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 58.94 2wxh h ARG 641 Cb 1.15 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.70 2wxh h ARG 641 CO 0.27 0.16 -0.04 -0.22 -1.51 0.00 0.00 179.97 178.62 2wxh h LYS 642 N 0.00 0.29 -0.89 0.20 3.64 -1.84 -0.34 116.57 117.63 2wxh h LYS 642 Ca -0.00 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.29 2wxh h LYS 642 Cb 0.59 -0.01 -0.05 0.00 -0.41 0.00 0.00 32.23 32.35 2wxh h LYS 642 CO 0.02 0.58 0.58 0.82 -2.27 0.00 0.00 179.45 179.18 2wxh h ILE 643 N -0.02 1.17 -0.86 2.00 1.08 -1.71 -2.06 117.51 117.11 2wxh h ILE 643 Ca 0.04 -0.39 -0.00 0.00 -0.39 0.00 0.00 64.86 64.11 2wxh h ILE 643 Cb 0.48 -0.07 -0.04 0.00 -3.07 0.00 0.00 36.82 34.12 2wxh h ILE 643 CO 0.02 0.21 0.53 1.23 -0.69 0.00 0.00 178.15 179.44 2wxh h GLY 644 N 1.14 1.23 0.88 5.37 0.00 -0.96 0.79 103.07 111.52 2wxh h GLY 644 Ca 0.35 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.17 2wxh h GLY 644 CO -0.10 0.49 -0.11 0.84 0.00 0.00 0.00 176.54 177.65 2wxh h HIS 645 N 1.17 -0.28 -0.04 5.60 -0.00 -0.48 -1.44 115.15 119.67 2wxh h HIS 645 Ca 0.31 -0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.51 2wxh h HIS 645 Cb -0.07 0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2wxh h HIS 645 CO -0.00 -0.09 -0.68 0.74 -0.00 0.00 0.00 177.93 177.90 2wxh h PHE 646 N -0.43 0.26 -0.33 5.26 0.04 -1.27 -2.10 116.94 118.38 2wxh h PHE 646 Ca -0.03 -0.11 -0.01 0.00 2.80 0.00 0.00 57.97 60.62 2wxh h PHE 646 Cb 0.32 -0.04 -0.02 0.00 2.20 0.00 0.00 35.95 38.42 2wxh h PHE 646 CO -0.03 0.81 0.17 1.25 -0.60 0.00 0.00 178.31 179.92 2wxh h LEU 647 N 0.14 0.41 -0.13 1.54 5.85 -0.82 0.10 115.31 122.40 2wxh h LEU 647 Ca -0.02 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.66 2wxh h LEU 647 Cb 1.21 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 42.08 2wxh h LEU 647 CO 0.10 0.39 -0.30 0.15 -0.34 0.00 0.00 178.44 178.44 2wxh h PHE 648 N 0.40 -0.82 -0.38 1.25 3.57 -1.04 -1.73 116.94 118.20 2wxh h PHE 648 Ca 0.11 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 2wxh h PHE 648 Cb 0.07 0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.18 2wxh h PHE 648 CO -0.03 -0.38 -0.15 -1.49 -2.23 0.00 0.00 178.31 174.03 2wxh h TRP 649 N -0.37 0.75 -0.98 0.41 4.06 -1.15 0.30 115.95 118.97 2wxh h TRP 649 Ca 0.10 -0.14 0.03 0.00 2.06 0.00 0.00 58.89 60.93 2wxh h TRP 649 Cb 0.52 -0.19 -0.05 0.00 -1.00 0.00 0.00 29.16 28.44 2wxh h TRP 649 CO -0.39 0.79 0.64 0.45 -3.56 0.00 0.00 178.44 176.38 2wxh h HIS 650 N 0.62 1.21 -0.04 0.49 3.86 -0.74 -1.35 115.15 119.19 2wxh h HIS 650 Ca 0.10 0.03 -0.13 0.00 -1.16 0.00 0.00 60.37 59.21 2wxh h HIS 650 Cb 0.61 -0.40 0.01 0.00 1.06 0.00 0.00 27.41 28.68 2wxh h HIS 650 CO 0.03 0.71 -0.49 -0.07 0.86 0.00 0.00 177.93 178.97 2wxh h LEU 651 N 1.26 0.51 -1.24 2.43 3.38 -0.84 -3.31 115.31 117.50 2wxh h LEU 651 Ca 0.38 -0.70 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2wxh h LEU 651 Cb -0.04 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.51 2wxh h LEU 651 CO -0.11 1.13 0.52 -0.09 0.09 0.00 0.00 178.44 179.98 2wxh h ARG 652 N -0.08 1.00 0.00 1.13 9.65 -0.27 -2.25 114.38 123.55 2wxh h ARG 652 Ca -0.05 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.77 2wxh h ARG 652 Cb 1.17 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2wxh h ARG 652 CO 0.10 0.66 0.00 -1.13 2.80 0.00 0.00 179.97 182.40 2wxh n SER 653 N -4.43 0.04 -0.47 -3.80 3.41 -0.52 -2.25 113.62 105.61 2wxh n SER 653 Ca 0.09 0.51 0.05 0.00 -0.26 0.00 0.00 58.87 59.26 2wxh n SER 653 Cb 0.06 -0.52 0.12 0.00 -0.26 0.00 0.00 64.21 63.61 2wxh n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxh n GLU 654 N -1.55 2.83 0.30 4.33 1.02 -0.85 -4.23 120.64 122.49 2wxh n GLU 654 Ca 0.03 -2.03 0.18 0.00 -0.02 0.00 0.00 57.16 55.32 2wxh n GLU 654 Cb 0.17 -1.28 0.97 0.00 -0.02 0.00 0.00 31.44 31.28 2wxh n GLU 654 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2wxh h MET 655 N 1.34 0.00 0.00 3.49 2.86 -1.50 -0.99 114.93 120.14 2wxh h MET 655 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wxh h MET 655 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 2wxh h MET 655 CO 0.03 0.03 0.00 -2.39 1.06 0.00 0.00 176.91 175.64 2wxh n HIS 656 N -3.41 0.00 -3.39 -0.22 1.44 -1.26 -4.62 115.22 103.76 2wxh n HIS 656 Ca -0.02 0.00 -0.44 0.00 -2.01 0.00 0.00 57.72 55.24 2wxh n HIS 656 Cb 0.14 -0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.17 2wxh n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxh s VAL 657 N -2.01 5.16 0.49 0.61 1.01 -0.38 -4.97 120.40 120.32 2wxh s VAL 657 Ca 0.45 -1.15 0.22 0.00 0.00 0.00 0.00 61.98 61.51 2wxh s VAL 657 Cb 0.21 -4.12 0.39 0.00 0.00 0.00 0.00 36.38 32.86 2wxh s VAL 657 CO 0.35 -0.61 1.95 -0.65 0.00 0.00 0.00 175.10 176.14 2wxh h PRO 658 N 8.75 0.17 0.00 2.72 0.11 -1.86 -1.32 132.00 140.57 2wxh h PRO 658 Ca -0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.80 2wxh h PRO 658 Cb 1.11 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 2wxh h PRO 658 CO 0.89 0.11 -0.10 0.66 -0.21 0.00 0.00 178.00 179.35 2wxh h SER 659 N 0.17 0.00 0.00 -2.05 4.64 -1.94 -3.21 113.55 111.16 2wxh h SER 659 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 2wxh h SER 659 Cb 1.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.12 2wxh h SER 659 CO -0.05 0.10 0.00 1.33 -0.87 0.00 0.00 176.83 177.34 2wxh n VAL 660 N -3.37 0.00 -0.28 0.95 0.24 -0.56 -4.81 118.33 110.49 2wxh n VAL 660 Ca -0.01 -0.48 0.01 0.00 -2.04 0.00 0.00 64.34 61.83 2wxh n VAL 660 Cb 0.28 1.01 0.15 0.00 -1.47 0.00 0.00 33.84 33.81 2wxh n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxh h ALA 661 N 0.00 1.10 0.89 2.33 0.00 -1.38 0.30 119.26 122.50 2wxh h ALA 661 Ca 0.00 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 2wxh h ALA 661 Cb 0.01 -0.14 0.01 0.00 0.00 0.00 0.00 17.79 17.67 2wxh h ALA 661 CO 0.00 0.10 -0.43 1.25 0.00 0.00 0.00 179.25 180.17 2wxh h LEU 662 N 0.78 -1.02 -0.37 0.00 5.85 -1.87 0.64 115.31 119.32 2wxh h LEU 662 Ca 0.37 0.04 0.07 0.00 0.84 0.00 0.00 57.88 59.20 2wxh h LEU 662 Cb 0.29 0.26 -0.07 0.00 0.37 0.00 0.00 40.66 41.52 2wxh h LEU 662 CO -0.22 -0.69 -0.09 -0.09 -0.34 0.00 0.00 178.44 177.00 2wxh h ARG 663 N -1.27 0.00 -0.38 1.25 2.43 -1.83 -1.04 114.38 113.55 2wxh h ARG 663 Ca -0.12 -0.00 -0.15 0.00 -0.81 0.00 0.00 59.98 58.89 2wxh h ARG 663 Cb 0.92 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.46 2wxh h ARG 663 CO 0.20 0.00 -0.37 0.74 -1.51 0.00 0.00 179.97 179.03 2wxh h PHE 664 N 0.00 1.09 -0.56 2.20 -1.00 -0.97 -2.07 116.94 115.64 2wxh h PHE 664 Ca 0.18 -0.33 0.08 0.00 2.81 0.00 0.00 57.97 60.71 2wxh h PHE 664 Cb 0.27 -0.23 -0.06 0.00 3.61 0.00 0.00 35.95 39.53 2wxh h PHE 664 CO -0.33 1.15 0.21 0.78 -1.61 0.00 0.00 178.31 178.51 2wxh h GLY 665 N 0.73 0.77 1.02 -1.45 0.00 -0.65 -0.80 103.07 102.70 2wxh h GLY 665 Ca 0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.21 2wxh h GLY 665 CO 0.09 0.00 0.14 1.41 0.00 0.00 0.00 176.54 178.18 2wxh h LEU 666 N 0.40 0.93 -0.51 3.11 3.38 -0.98 -0.28 115.31 121.36 2wxh h LEU 666 Ca 0.28 -0.24 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2wxh h LEU 666 Cb 0.31 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 2wxh h LEU 666 CO -0.27 0.93 0.28 0.40 0.09 0.00 0.00 178.44 179.86 2wxh h ILE 667 N 0.89 1.18 -0.53 1.22 2.04 -1.11 -1.98 117.51 119.22 2wxh h ILE 667 Ca 0.19 -0.46 -0.07 0.00 1.00 0.00 0.00 64.86 65.52 2wxh h ILE 667 Cb 0.37 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 2wxh h ILE 667 CO 0.00 0.19 0.04 0.24 0.00 0.00 0.00 178.15 178.62 2wxh h MET 668 N 0.68 0.90 -0.10 2.37 2.86 -0.80 -0.98 114.93 119.86 2wxh h MET 668 Ca 0.18 -0.27 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2wxh h MET 668 Cb 0.06 -0.09 -0.06 0.00 0.06 0.00 0.00 31.60 31.57 2wxh h MET 668 CO -0.03 0.90 -0.29 1.49 1.06 0.00 0.00 176.91 180.04 2wxh h GLU 669 N 0.78 -0.37 -0.46 1.72 4.81 -0.96 -1.25 114.58 118.84 2wxh h GLU 669 Ca 0.15 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.47 2wxh h GLU 669 Cb 0.47 0.08 -0.05 0.00 0.63 0.00 0.00 28.75 29.88 2wxh h GLU 669 CO 0.02 -0.24 0.15 0.00 -0.73 0.00 0.00 179.01 178.21 2wxh h ALA 670 N 0.46 0.55 -0.30 2.92 0.00 -1.08 -1.43 119.26 120.38 2wxh h ALA 670 Ca 0.09 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.12 2wxh h ALA 670 Cb 0.52 0.05 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2wxh h ALA 670 CO -0.32 -0.24 0.01 -0.92 0.00 0.00 0.00 179.25 177.78 2wxh h TYR 671 N 0.31 0.01 -0.92 0.00 3.20 -0.97 -1.85 116.97 116.75 2wxh h TYR 671 Ca 0.22 0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.23 2wxh h TYR 671 Cb 0.24 0.04 -0.08 0.00 1.54 0.00 0.00 36.73 38.47 2wxh h TYR 671 CO -0.17 -0.04 0.55 0.00 -1.64 0.00 0.00 178.16 176.87 2wxh h ARG 673 N 0.88 0.67 -0.00 0.00 2.47 -0.46 -2.25 114.38 115.69 2wxh h ARG 673 Ca 0.46 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 2wxh h ARG 673 Cb 0.47 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 28.64 2wxh h ARG 673 CO -0.27 0.45 -0.24 0.41 0.56 0.00 0.00 179.97 180.88 2wxh n GLY 674 N -1.44 -1.27 2.98 0.04 0.00 -0.17 -4.55 105.19 100.79 2wxh n GLY 674 Ca 0.16 -0.24 -0.07 0.00 0.00 0.00 0.00 46.02 45.86 2wxh n GLY 674 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxh s SER 675 N -2.89 -0.41 0.27 1.61 0.15 -0.82 -4.31 113.70 107.30 2wxh s SER 675 Ca 0.16 -1.24 -0.01 0.00 0.70 0.00 0.00 55.95 55.55 2wxh s SER 675 Cb 0.19 1.35 0.45 0.00 -1.71 0.00 0.00 66.02 66.30 2wxh s SER 675 CO 0.59 -0.19 1.86 0.74 1.20 0.00 0.00 173.24 177.44 2wxh h THR 676 N 4.99 1.02 -0.29 6.45 2.02 -1.78 -1.63 112.91 123.69 2wxh h THR 676 Ca 0.06 -0.37 -0.04 0.00 0.77 0.00 0.00 66.41 66.83 2wxh h THR 676 Cb 1.12 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 2wxh h THR 676 CO 0.14 0.20 0.04 -0.74 0.37 0.00 0.00 175.52 175.53 2wxh h HIS 677 N 1.09 0.51 -0.11 3.16 2.76 -1.88 -2.86 115.15 117.83 2wxh h HIS 677 Ca 0.45 -0.07 -0.09 0.00 -2.20 0.00 0.00 60.37 58.46 2wxh h HIS 677 Cb 0.28 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 29.09 2wxh h HIS 677 CO -0.01 0.58 -0.34 1.25 -1.30 0.00 0.00 177.93 178.11 2wxh h HIS 678 N 0.30 0.25 -0.60 5.26 -0.00 -1.83 -2.27 115.15 116.25 2wxh h HIS 678 Ca 0.09 -0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.50 2wxh h HIS 678 Cb 0.35 -0.06 -0.08 0.00 -0.00 0.00 0.00 27.41 27.62 2wxh h HIS 678 CO 0.02 0.54 0.18 1.98 -0.00 0.00 0.00 177.93 180.66 2wxh h MET 679 N 0.19 0.33 -0.41 5.26 -1.53 -1.15 0.13 114.93 117.74 2wxh h MET 679 Ca 0.02 -0.02 -0.10 0.00 -3.44 0.00 0.00 59.70 56.16 2wxh h MET 679 Cb 0.70 -0.07 -0.02 0.00 -0.55 0.00 0.00 31.60 31.66 2wxh h MET 679 CO 0.05 0.22 -0.17 0.87 0.14 0.00 0.00 176.91 178.02 2wxh h LYS 680 N 0.34 0.78 -0.59 0.39 1.57 -1.20 0.69 116.57 118.55 2wxh h LYS 680 Ca 0.31 -0.29 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 2wxh h LYS 680 Cb 0.42 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 2wxh h LYS 680 CO -0.35 0.90 0.18 0.28 -0.57 0.00 0.00 179.45 179.89 2wxh h VAL 681 N 0.69 1.24 -0.32 0.50 2.07 -0.92 -2.03 116.25 117.48 2wxh h VAL 681 Ca 0.11 -0.83 -0.11 0.00 0.82 0.00 0.00 66.70 66.69 2wxh h VAL 681 Cb 0.66 0.66 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 2wxh h VAL 681 CO 0.05 0.31 -0.25 -0.07 0.02 0.00 0.00 177.57 177.63 2wxh h LEU 682 N 0.84 0.65 -0.59 2.57 3.38 -0.38 -2.86 115.31 118.91 2wxh h LEU 682 Ca 0.19 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2wxh h LEU 682 Cb 0.29 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2wxh h LEU 682 CO -0.01 0.88 0.38 0.24 0.09 0.00 0.00 178.44 180.03 2wxh h MET 683 N 0.56 0.79 -0.65 1.13 2.86 -0.65 0.28 114.93 119.25 2wxh h MET 683 Ca 0.08 -0.06 0.06 0.00 -2.06 0.00 0.00 59.70 57.72 2wxh h MET 683 Cb 0.72 -0.17 -0.05 0.00 0.06 0.00 0.00 31.60 32.16 2wxh h MET 683 CO 0.06 0.54 0.36 -0.22 1.06 0.00 0.00 176.91 178.71 2wxh h LYS 684 N 0.80 0.65 -0.46 1.72 1.63 -1.25 0.13 116.57 119.79 2wxh h LYS 684 Ca 0.22 -0.04 -0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2wxh h LYS 684 Cb -0.07 -0.15 -0.02 0.00 -0.60 0.00 0.00 32.23 31.40 2wxh h LYS 684 CO -0.04 0.43 0.27 1.96 -3.45 0.00 0.00 179.45 178.61 2wxh h GLN 685 N 0.67 0.63 -0.86 1.90 4.20 -1.15 -2.30 115.11 118.20 2wxh h GLN 685 Ca 0.29 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.94 2wxh h GLN 685 Cb 0.18 -0.13 -0.04 0.00 0.30 0.00 0.00 27.48 27.79 2wxh h GLN 685 CO -0.18 0.48 0.56 0.78 -0.67 0.00 0.00 178.83 179.81 2wxh h GLY 686 N 0.61 1.22 1.09 3.46 0.00 -0.23 -1.23 103.07 107.98 2wxh h GLY 686 Ca 0.16 -0.46 -0.07 0.00 0.00 0.00 0.00 47.33 46.97 2wxh h GLY 686 CO -0.03 0.45 0.19 0.83 0.00 0.00 0.00 176.54 177.98 2wxh h GLU 687 N 1.17 1.13 -0.49 4.80 5.08 -0.55 0.25 114.58 125.99 2wxh h GLU 687 Ca 0.32 -0.26 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2wxh h GLU 687 Cb -0.12 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 28.95 2wxh h GLU 687 CO -0.07 0.99 0.11 0.00 -1.00 0.00 0.00 179.01 179.04 2wxh h ALA 688 N 1.12 0.64 -0.29 3.43 0.00 -1.08 -2.16 119.26 120.92 2wxh h ALA 688 Ca 0.23 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2wxh h ALA 688 Cb 0.35 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2wxh h ALA 688 CO -0.00 0.35 -0.11 -0.07 0.00 0.00 0.00 179.25 179.41 2wxh h LEU 689 N 0.67 0.48 -0.43 0.00 3.38 -0.85 -0.50 115.31 118.05 2wxh h LEU 689 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wxh h LEU 689 Cb 0.35 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 2wxh h LEU 689 CO 0.00 0.63 0.22 -1.28 0.09 0.00 0.00 178.44 178.10 2wxh h SER 690 N 0.46 0.55 -0.54 -0.43 0.87 -0.76 -1.97 113.55 111.73 2wxh h SER 690 Ca 0.09 -0.11 -0.09 0.00 -1.23 0.00 0.00 61.79 60.45 2wxh h SER 690 Cb 0.48 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.28 2wxh h SER 690 CO 0.03 0.51 -0.01 0.11 -0.53 0.00 0.00 176.83 176.94 2wxh h LYS 691 N 0.56 0.96 -0.85 2.24 1.79 -0.96 -2.27 116.57 118.02 2wxh h LYS 691 Ca 0.15 -0.31 0.00 0.00 -2.18 0.00 0.00 60.65 58.32 2wxh h LYS 691 Cb 0.09 -0.09 -0.04 0.00 -1.58 0.00 0.00 32.23 30.61 2wxh h LYS 691 CO -0.02 0.97 0.55 -0.07 -1.08 0.00 0.00 179.45 179.80 2wxh h LEU 692 N 0.83 0.99 -0.38 2.94 3.38 -1.03 0.15 115.31 122.19 2wxh h LEU 692 Ca 0.15 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.09 2wxh h LEU 692 Cb 0.54 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 2wxh h LEU 692 CO 0.03 0.73 0.25 0.50 0.09 0.00 0.00 178.44 180.04 2wxh h LYS 693 N 1.16 0.51 -0.49 1.13 1.63 -1.17 0.35 116.57 119.69 2wxh h LYS 693 Ca 0.31 -0.03 -0.03 0.00 -0.85 0.00 0.00 60.65 60.04 2wxh h LYS 693 Cb -0.11 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.39 2wxh h LYS 693 CO -0.06 0.35 0.18 0.00 -3.45 0.00 0.00 179.45 176.46 2wxh h ALA 694 N 1.13 0.64 -0.72 5.00 0.00 -1.01 -0.23 119.26 124.08 2wxh h ALA 694 Ca 0.14 -0.17 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 2wxh h ALA 694 Cb -0.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.52 2wxh h ALA 694 CO -0.03 0.27 0.30 1.25 0.00 0.00 0.00 179.25 181.04 2wxh h LEU 695 N 0.66 0.99 -0.54 0.00 5.85 -0.37 -1.69 115.31 120.21 2wxh h LEU 695 Ca 0.16 -0.17 -0.10 0.00 0.84 0.00 0.00 57.88 58.61 2wxh h LEU 695 Cb 0.23 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 2wxh h LEU 695 CO -0.01 0.89 -0.06 -1.13 -0.34 0.00 0.00 178.44 177.78 2wxh h ASN 696 N 1.03 1.00 -0.57 1.25 -0.73 0.02 -1.81 115.58 115.76 2wxh h ASN 696 Ca 0.24 -0.33 0.02 0.00 1.87 0.00 0.00 56.30 58.10 2wxh h ASN 696 Cb 0.20 -0.27 -0.03 0.00 0.27 0.00 0.00 38.32 38.49 2wxh h ASN 696 CO -0.02 1.09 0.36 0.44 -0.37 0.00 0.00 177.43 178.93 2wxh h ASP 697 N 0.88 0.60 -0.24 1.15 3.32 -0.89 -0.31 116.42 120.93 2wxh h ASP 697 Ca 0.15 -0.00 0.04 0.00 0.02 0.00 0.00 57.03 57.23 2wxh h ASP 697 Cb 0.62 -0.13 -0.04 0.00 0.22 0.00 0.00 39.33 40.00 2wxh h ASP 697 CO 0.04 0.43 0.02 0.15 -1.72 0.00 0.00 179.24 178.15 2wxh h PHE 698 N 0.72 0.02 -0.74 4.55 3.57 -1.08 -1.87 116.94 122.11 2wxh h PHE 698 Ca 0.22 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.74 2wxh h PHE 698 Cb -0.02 0.03 -0.04 0.00 2.79 0.00 0.00 35.95 38.71 2wxh h PHE 698 CO -0.05 -0.02 0.48 0.28 -2.23 0.00 0.00 178.31 176.77 2wxh h VAL 699 N 0.10 1.19 -0.92 1.41 2.07 -1.02 0.64 116.25 119.73 2wxh h VAL 699 Ca 0.11 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.33 2wxh h VAL 699 Cb 0.13 0.12 -0.06 0.00 -1.52 0.00 0.00 31.29 29.97 2wxh h VAL 699 CO -0.18 0.19 0.60 0.11 0.02 0.00 0.00 177.57 178.31 2wxh h LYS 700 N 1.00 1.02 -0.02 1.57 1.57 -0.68 -1.32 116.57 119.70 2wxh h LYS 700 Ca 0.27 -0.06 -0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2wxh h LYS 700 Cb -0.10 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 31.98 2wxh h LYS 700 CO -0.06 0.67 -0.11 0.28 -0.57 0.00 0.00 179.45 179.67 2wxh h VAL 701 N 1.05 1.50 -0.67 0.50 2.07 -0.73 -3.31 116.25 116.66 2wxh h VAL 701 Ca 0.39 -1.64 -0.03 0.00 0.82 0.00 0.00 66.70 66.25 2wxh h VAL 701 Cb 0.19 2.53 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 2wxh h VAL 701 CO -0.15 0.44 0.32 -1.28 0.02 0.00 0.00 177.57 176.92 2wxh h SER 702 N -0.51 0.88 0.75 0.57 0.87 -0.74 -2.68 113.55 112.69 2wxh h SER 702 Ca -0.01 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 2wxh h SER 702 Cb 0.78 -0.23 0.00 0.00 -0.44 0.00 0.00 62.40 62.51 2wxh h SER 702 CO 0.02 0.77 0.00 0.77 -0.53 0.00 0.00 176.83 177.87 2wxh h SER 703 N 0.93 0.00 1.55 6.23 4.64 -1.39 -0.53 113.55 124.99 2wxh h SER 703 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 2wxh h SER 703 Cb 0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.22 2wxh h SER 703 CO -0.03 0.00 -0.06 1.56 -0.87 0.00 0.00 176.83 177.43 2wxh h GLN 704 N 0.00 0.00 0.00 4.77 4.20 -1.56 -3.35 115.11 119.17 2wxh h GLN 704 Ca 0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2wxh h GLN 704 Cb 0.38 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.16 2wxh h GLN 704 CO 0.00 0.00 -0.45 1.63 -0.67 0.00 0.00 178.83 179.34 2wxh n LYS 705 N -2.46 4.21 -4.09 1.46 4.01 -0.32 -5.07 118.16 115.90 2wxh n LYS 705 Ca 0.05 -0.01 -0.10 0.00 -0.51 0.00 0.00 58.31 57.74 2wxh n LYS 705 Cb 0.46 -0.84 -0.07 0.00 -0.51 0.00 0.00 35.03 34.06 2wxh n LYS 705 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 2wxh s THR 706 N -1.70 0.00 0.74 -0.18 -1.32 -0.52 -5.13 115.64 107.54 2wxh s THR 706 Ca 0.01 -1.67 -0.11 0.00 -1.21 0.00 0.00 61.69 58.71 2wxh s THR 706 Cb 0.04 -2.34 0.04 0.00 -1.51 0.00 0.00 72.50 68.74 2wxh s THR 706 CO 0.24 0.00 1.08 0.42 -2.21 0.00 0.00 174.62 174.15 2wxh s THR 707 N -4.08 3.56 0.19 5.08 -4.23 -1.26 -4.58 115.64 110.32 2wxh s THR 707 Ca 0.30 0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 61.20 2wxh s THR 707 Cb 0.03 -3.08 0.11 0.00 1.34 0.00 0.00 72.50 70.90 2wxh s THR 707 CO 0.10 -0.65 1.82 0.50 -0.54 0.00 0.00 174.62 175.85 2wxh h LYS 708 N -0.96 0.67 -0.57 3.99 3.64 -1.97 -0.63 116.57 120.74 2wxh h LYS 708 Ca -0.44 -0.04 0.07 0.00 -1.27 0.00 0.00 60.65 58.97 2wxh h LYS 708 Cb 1.22 -0.15 -0.06 0.00 -0.41 0.00 0.00 32.23 32.84 2wxh h LYS 708 CO 0.53 0.45 0.26 -1.35 -2.27 0.00 0.00 179.45 177.07 2wxh h PRO 709 N 0.69 0.47 -0.23 1.90 0.11 -1.99 0.00 132.00 132.96 2wxh h PRO 709 Ca 0.25 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 2wxh h PRO 709 Cb 0.07 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.06 2wxh h PRO 709 CO -0.12 0.31 0.08 1.96 -0.21 0.00 0.00 178.00 180.02 2wxh h GLN 710 N 0.49 0.36 -0.74 1.05 4.20 -1.83 -1.93 115.11 116.71 2wxh h GLN 710 Ca 0.27 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 2wxh h GLN 710 Cb 0.24 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 27.93 2wxh h GLN 710 CO -0.22 0.44 0.42 1.15 -0.67 0.00 0.00 178.83 179.95 2wxh h THR 711 N 0.21 1.22 -0.49 -0.54 2.02 -1.00 -1.48 112.91 112.85 2wxh h THR 711 Ca 0.08 -0.52 -0.07 0.00 0.77 0.00 0.00 66.41 66.67 2wxh h THR 711 Cb 0.23 0.19 -0.02 0.00 -1.74 0.00 0.00 68.15 66.81 2wxh h THR 711 CO -0.00 0.24 0.03 0.50 0.37 0.00 0.00 175.52 176.65 2wxh h LYS 712 N 1.03 0.84 -0.83 6.66 3.64 -0.85 0.33 116.57 127.39 2wxh h LYS 712 Ca 0.27 -0.25 -0.00 0.00 -1.27 0.00 0.00 60.65 59.39 2wxh h LYS 712 Cb 0.00 -0.08 -0.04 0.00 -0.41 0.00 0.00 32.23 31.70 2wxh h LYS 712 CO -0.05 0.87 0.50 1.49 -2.27 0.00 0.00 179.45 180.00 2wxh h GLU 713 N 0.71 1.13 -0.70 1.90 4.81 -1.10 -1.65 114.58 119.67 2wxh h GLU 713 Ca 0.14 -0.10 -0.06 0.00 -0.13 0.00 0.00 59.36 59.21 2wxh h GLU 713 Cb 0.47 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2wxh h GLU 713 CO 0.02 0.79 0.20 0.52 -0.73 0.00 0.00 179.01 179.81 2wxh h MET 714 N 1.14 1.10 -0.46 1.92 2.86 -0.67 -1.81 114.93 119.01 2wxh h MET 714 Ca 0.30 -0.25 0.05 0.00 -2.06 0.00 0.00 59.70 57.74 2wxh h MET 714 Cb -0.05 -0.15 -0.05 0.00 0.06 0.00 0.00 31.60 31.41 2wxh h MET 714 CO -0.06 0.96 0.19 1.98 1.06 0.00 0.00 176.91 181.05 2wxh h MET 715 N 1.04 0.38 -0.56 1.72 1.85 -0.08 -0.98 114.93 118.31 2wxh h MET 715 Ca 0.22 -0.02 -0.04 0.00 -0.61 0.00 0.00 59.70 59.25 2wxh h MET 715 Cb 0.33 -0.08 -0.02 0.00 0.43 0.00 0.00 31.60 32.25 2wxh h MET 715 CO -0.00 0.25 0.20 0.45 -0.40 0.00 0.00 176.91 177.40 2wxh h HIS 716 N 0.39 0.87 -0.14 1.39 -0.00 -1.10 -0.41 115.15 116.15 2wxh h HIS 716 Ca 0.21 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.51 2wxh h HIS 716 Cb 0.18 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.32 2wxh h HIS 716 CO -0.13 0.73 0.09 0.52 -0.00 0.00 0.00 177.93 179.13 2wxh h MET 717 N 0.77 0.19 -0.52 2.45 2.86 -1.08 -0.32 114.93 119.28 2wxh h MET 717 Ca 0.18 -0.02 0.10 0.00 -2.06 0.00 0.00 59.70 57.91 2wxh h MET 717 Cb 0.24 -0.04 -0.08 0.00 0.06 0.00 0.00 31.60 31.78 2wxh h MET 717 CO -0.01 0.15 0.05 0.00 1.06 0.00 0.00 176.91 178.17 2wxh h MET 719 N 0.18 0.00 -0.00 0.00 2.86 -0.56 -2.58 114.93 114.82 2wxh h MET 719 Ca 0.27 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.91 2wxh h MET 719 Cb 0.40 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.06 2wxh h MET 719 CO -0.40 0.26 -0.02 0.54 1.06 0.00 0.00 176.91 178.36 2wxh n ARG 720 N -3.91 0.96 -1.94 1.72 1.74 -0.18 -2.95 116.66 112.09 2wxh n ARG 720 Ca -0.02 -0.18 -0.40 0.00 -0.77 0.00 0.00 57.85 56.48 2wxh n ARG 720 Cb 0.34 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.29 2wxh n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wxh s GLN 721 N -2.16 3.87 0.21 5.56 -0.21 -0.97 -4.81 119.66 121.15 2wxh s GLN 721 Ca 0.40 2.28 -0.09 0.00 0.02 0.00 0.00 55.36 57.98 2wxh s GLN 721 Cb 0.21 -2.74 0.27 0.00 1.00 0.00 0.00 33.01 31.76 2wxh s GLN 721 CO 0.40 -0.62 1.79 0.93 -2.12 0.00 0.00 175.29 175.67 2wxh h GLU 722 N 2.57 0.60 -0.90 2.91 5.08 -1.90 -0.18 114.58 122.76 2wxh h GLU 722 Ca -0.50 -0.04 0.10 0.00 -1.00 0.00 0.00 59.36 57.92 2wxh h GLU 722 Cb 1.25 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.30 2wxh h GLU 722 CO 0.62 0.40 0.58 1.79 -1.00 0.00 0.00 179.01 181.40 2wxh h THR 723 N 0.62 0.97 0.02 1.13 1.35 -1.94 -1.42 112.91 113.64 2wxh h THR 723 Ca 0.31 -0.31 -0.06 0.00 -0.55 0.00 0.00 66.41 65.81 2wxh h THR 723 Cb 0.27 -0.01 0.01 0.00 -1.73 0.00 0.00 68.15 66.68 2wxh h THR 723 CO -0.22 0.16 -0.23 1.88 -0.25 0.00 0.00 175.52 176.86 2wxh h TYR 724 N 0.90 0.20 -0.77 4.73 -1.99 -1.45 -2.47 116.97 116.12 2wxh h TYR 724 Ca 0.42 -0.12 0.11 0.00 2.00 0.00 0.00 58.73 61.15 2wxh h TYR 724 Cb 0.41 -0.02 -0.08 0.00 2.00 0.00 0.00 36.73 39.04 2wxh h TYR 724 CO -0.00 0.98 0.39 0.52 -0.00 0.00 0.00 178.16 180.05 2wxh h MET 725 N -0.64 0.60 -0.11 4.88 2.86 -0.97 0.70 114.93 122.24 2wxh h MET 725 Ca -0.03 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.53 2wxh h MET 725 Cb 1.06 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 32.58 2wxh h MET 725 CO 0.04 0.39 -0.07 1.49 1.06 0.00 0.00 176.91 179.82 2wxh h GLU 726 N 0.61 0.25 -0.27 1.72 4.81 -1.35 -2.78 114.58 117.57 2wxh h GLU 726 Ca 0.40 -0.12 -0.09 0.00 -0.13 0.00 0.00 59.36 59.42 2wxh h GLU 726 Cb 0.48 -0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.84 2wxh h GLU 726 CO -0.31 0.62 -0.23 0.00 -0.73 0.00 0.00 179.01 178.36 2wxh h ALA 727 N 0.62 1.11 0.00 2.92 0.00 -1.05 -3.13 119.26 119.73 2wxh h ALA 727 Ca 0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.60 2wxh h ALA 727 Cb 0.56 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.22 2wxh h ALA 727 CO 0.02 0.55 -0.27 1.28 0.00 0.00 0.00 179.25 180.83 2wxh n LEU 728 N -4.13 0.46 -4.76 0.00 4.77 0.21 -3.93 117.00 109.60 2wxh n LEU 728 Ca -0.00 0.33 -0.25 0.00 -0.03 0.00 0.00 56.01 56.06 2wxh n LEU 728 Cb 0.39 -0.33 -0.06 0.00 -2.33 0.00 0.00 43.42 41.10 2wxh n LEU 728 CO 0.42 -0.02 -0.24 -0.44 -1.33 0.00 0.00 177.39 175.78 2wxh s SER 729 N -3.60 5.28 -0.85 -1.43 0.01 -1.05 -4.67 113.70 107.39 2wxh s SER 729 Ca 0.11 -0.27 -0.04 0.00 1.31 0.00 0.00 55.95 57.06 2wxh s SER 729 Cb 0.16 -1.29 -0.04 0.00 0.21 0.00 0.00 66.02 65.06 2wxh s SER 729 CO 0.63 0.03 0.73 1.41 0.41 0.00 0.00 173.24 176.46 2wxh n HIS 730 N -0.61 -1.90 -4.20 2.43 8.25 -0.26 -4.94 115.22 113.99 2wxh n HIS 730 Ca -0.08 0.69 -0.12 0.00 -0.26 0.00 0.00 57.72 57.94 2wxh n HIS 730 Cb 0.56 -3.90 -0.10 0.00 1.12 0.00 0.00 29.99 27.67 2wxh n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxh s LEU 731 N -4.97 2.41 0.24 2.41 2.34 -0.31 -5.00 118.68 115.80 2wxh s LEU 731 Ca 0.29 -1.05 -0.30 0.00 0.06 0.00 0.00 54.13 53.14 2wxh s LEU 731 Cb -0.04 -0.11 -0.09 0.00 -0.56 0.00 0.00 46.19 45.39 2wxh s LEU 731 CO 0.58 -0.47 0.97 -1.10 -1.06 0.00 0.00 176.35 175.27 2wxh s GLN 732 N -3.84 4.82 0.07 1.48 -0.21 -1.26 -0.15 119.66 120.57 2wxh s GLN 732 Ca 0.16 1.54 -0.31 0.00 0.02 0.00 0.00 55.36 56.77 2wxh s GLN 732 Cb 0.05 -3.27 -0.08 0.00 1.00 0.00 0.00 33.01 30.72 2wxh s GLN 732 CO -0.02 0.46 1.50 0.45 -2.12 0.00 0.00 175.29 175.56 2wxh s SER 733 N -1.09 6.74 0.55 5.90 0.15 -0.33 -4.86 113.70 120.77 2wxh s SER 733 Ca 0.42 2.34 0.23 0.00 0.70 0.00 0.00 55.95 59.64 2wxh s SER 733 Cb -0.27 -2.57 1.47 0.00 -1.71 0.00 0.00 66.02 62.94 2wxh s SER 733 CO 0.33 -0.77 2.11 -0.65 1.20 0.00 0.00 173.24 175.47 2wxh h PRO 734 N 7.59 0.00 0.00 5.44 0.11 -1.95 -2.05 132.00 141.14 2wxh h PRO 734 Ca -0.41 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 65.65 2wxh h PRO 734 Cb 1.20 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wxh h PRO 734 CO 0.90 0.00 -0.25 -0.07 -0.21 0.00 0.00 178.00 178.37 2wxh h LEU 735 N 0.00 0.00 -5.97 2.35 3.38 -1.95 -3.42 115.31 109.69 2wxh h LEU 735 Ca 0.09 0.00 0.14 0.00 0.09 0.00 0.00 57.88 58.20 2wxh h LEU 735 Cb 0.39 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.95 2wxh h LEU 735 CO -0.00 0.25 -0.16 -0.62 0.09 0.00 0.00 178.44 178.00 2wxh s ASP 736 N -6.54 -0.89 0.22 -0.43 2.15 -0.80 -4.91 116.67 105.47 2wxh s ASP 736 Ca -0.02 0.07 0.17 0.00 0.43 0.00 0.00 52.55 53.20 2wxh s ASP 736 Cb 0.13 1.54 0.85 0.00 -0.30 0.00 0.00 42.92 45.14 2wxh s ASP 736 CO 0.66 -0.16 1.52 -0.81 -0.17 0.00 0.00 175.17 176.21 2wxh n PRO 737 N 5.16 0.11 0.16 4.34 -0.04 -1.06 -0.58 135.00 143.09 2wxh n PRO 737 Ca 0.08 0.54 0.13 0.00 -0.04 0.00 0.00 63.50 64.21 2wxh n PRO 737 Cb 0.57 -1.81 0.45 0.00 -0.04 0.00 0.00 33.50 32.66 2wxh n PRO 737 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2wxh h SER 738 N 0.00 0.00 -3.45 3.54 4.64 -1.85 -3.42 113.55 113.01 2wxh h SER 738 Ca 0.00 0.00 -0.60 0.00 -0.47 0.00 0.00 61.79 60.72 2wxh h SER 738 Cb 0.09 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.08 2wxh h SER 738 CO 0.00 0.00 0.02 -0.89 -0.87 0.00 0.00 176.83 175.09 2wxh s THR 739 N -3.29 5.08 -0.23 2.95 2.01 0.25 -1.18 115.64 121.22 2wxh s THR 739 Ca 0.06 1.04 -0.15 0.00 0.31 0.00 0.00 61.69 62.95 2wxh s THR 739 Cb 0.10 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2wxh s THR 739 CO 0.53 0.15 0.38 -0.76 -0.69 0.00 0.00 174.62 174.24 2wxh s LEU 740 N 1.72 4.10 -0.48 4.42 1.43 -1.26 -1.18 118.68 127.43 2wxh s LEU 740 Ca 0.26 0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.58 2wxh s LEU 740 Cb -0.16 -2.47 0.05 0.00 0.03 0.00 0.00 46.19 43.64 2wxh s LEU 740 CO 0.10 -0.13 0.57 -0.76 0.23 0.00 0.00 176.35 176.37 2wxh s LEU 741 N 1.66 4.93 0.00 1.79 1.43 0.79 -4.94 118.68 124.34 2wxh s LEU 741 Ca 0.17 -0.81 0.00 0.00 -1.03 0.00 0.00 54.13 52.46 2wxh s LEU 741 Cb -0.15 -2.46 0.00 0.00 0.03 0.00 0.00 46.19 43.61 2wxh s LEU 741 CO 0.09 -0.80 0.00 -0.62 0.23 0.00 0.00 176.35 175.25 2wxh n GLU 742 N 6.00 0.00 -3.17 1.70 -0.58 -1.26 -1.16 120.64 122.18 2wxh n GLU 742 Ca -0.06 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.28 2wxh n GLU 742 Cb 0.46 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.27 2wxh n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxh s GLU 743 N 0.76 4.21 0.23 3.49 1.03 -0.70 -1.10 118.70 126.62 2wxh s GLU 743 Ca 0.00 0.55 -0.30 0.00 0.03 0.00 0.00 54.97 55.25 2wxh s GLU 743 Cb 0.00 -3.56 -0.10 0.00 -0.80 0.00 0.00 34.13 29.66 2wxh s GLU 743 CO 0.00 -0.19 1.47 0.54 -1.33 0.00 0.00 175.26 175.76 2wxh s VAL 744 N 1.74 2.62 -0.95 1.83 0.11 -1.26 -1.46 120.40 123.03 2wxh s VAL 744 Ca 0.27 0.50 -0.12 0.00 -2.93 0.00 0.00 61.98 59.70 2wxh s VAL 744 Cb -0.16 -3.32 0.24 0.00 -1.53 0.00 0.00 36.38 31.61 2wxh s VAL 744 CO 0.10 0.07 0.93 0.00 -3.33 0.00 0.00 175.10 172.88 2wxh h VAL 746 N 4.37 0.75 0.00 0.00 2.07 -1.93 -1.28 116.25 120.23 2wxh h VAL 746 Ca 0.14 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2wxh h VAL 746 Cb 0.97 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2wxh h VAL 746 CO 0.88 0.06 0.00 -0.33 0.02 0.00 0.00 177.57 178.20 2wxh h GLU 747 N 0.33 0.00 -0.03 1.57 4.39 -1.97 -0.30 114.58 118.58 2wxh h GLU 747 Ca 0.28 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.98 2wxh h GLU 747 Cb 0.36 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.01 2wxh h GLU 747 CO -0.31 0.00 -0.04 1.04 -1.16 0.00 0.00 179.01 178.53 2wxh n GLN 748 N -2.58 2.09 -3.07 2.33 1.13 -0.50 -4.93 117.38 111.85 2wxh n GLN 748 Ca 0.00 -1.65 -0.37 0.00 -1.94 0.00 0.00 57.00 53.04 2wxh n GLN 748 Cb 0.18 -1.47 -0.06 0.00 0.11 0.00 0.00 30.24 29.00 2wxh n GLN 748 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxh n THR 750 N 0.82 0.00 -3.97 0.00 5.66 -0.58 -4.98 114.28 111.23 2wxh n THR 750 Ca -0.02 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 60.89 2wxh n THR 750 Cb 0.51 0.00 -0.08 0.00 -1.55 0.00 0.00 70.33 69.20 2wxh n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxh s PHE 751 N -5.05 0.36 -0.32 1.09 -0.12 -1.26 -0.84 117.98 111.85 2wxh s PHE 751 Ca 0.00 -0.82 -0.19 0.00 -0.05 0.00 0.00 56.93 55.87 2wxh s PHE 751 Cb 0.00 -0.20 -0.01 0.00 -0.63 0.00 0.00 43.02 42.18 2wxh s PHE 751 CO 0.00 -0.51 0.56 1.41 -0.05 0.00 0.00 175.22 176.63 2wxh s MET 752 N -3.91 3.82 -1.26 1.99 -2.45 -0.60 -4.96 119.30 111.94 2wxh s MET 752 Ca 0.09 0.12 -0.08 0.00 -1.25 0.00 0.00 55.69 54.56 2wxh s MET 752 Cb 0.06 -3.75 -0.05 0.00 1.25 0.00 0.00 34.83 32.34 2wxh s MET 752 CO -0.08 -0.56 2.91 -3.47 1.05 0.00 0.00 175.02 174.86 2wxh n ASP 753 N 5.77 7.98 -3.63 1.11 2.03 -1.26 -4.00 116.55 124.55 2wxh n ASP 753 Ca -0.03 -2.74 -0.07 0.00 0.52 0.00 0.00 54.79 52.47 2wxh n ASP 753 Cb 0.49 -1.47 -0.02 0.00 -0.72 0.00 0.00 41.12 39.40 2wxh n ASP 753 CO 0.00 0.00 0.00 -0.94 -1.92 0.00 0.00 177.20 174.34 2wxh s SER 754 N 1.60 -0.32 0.83 1.67 1.04 -1.26 -5.04 113.70 112.21 2wxh s SER 754 Ca 0.65 -0.23 0.00 0.00 0.48 0.00 0.00 55.95 56.85 2wxh s SER 754 Cb 0.21 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.84 2wxh s SER 754 CO -0.07 -0.89 0.00 0.29 0.98 0.00 0.00 173.24 173.55 2wxh n LYS 755 N -0.38 0.00 -0.01 4.02 5.02 -1.26 -1.26 118.16 124.29 2wxh n LYS 755 Ca -0.09 0.00 0.12 0.00 -2.02 0.00 0.00 58.31 56.32 2wxh n LYS 755 Cb 0.62 0.00 0.64 0.00 -0.02 0.00 0.00 35.03 36.26 2wxh n LYS 755 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2wxh n MET 756 N 14.00 1.12 -3.57 1.97 2.81 -1.26 -4.92 117.12 127.27 2wxh n MET 756 Ca 0.00 -0.18 -0.20 0.00 -1.81 0.00 0.00 57.70 55.51 2wxh n MET 756 Cb 0.00 -1.37 0.05 0.00 -0.71 0.00 0.00 33.22 31.19 2wxh n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxh n LYS 757 N -0.66 -4.54 -1.78 0.03 5.02 -0.39 -4.65 118.16 111.17 2wxh n LYS 757 Ca 0.17 0.69 -0.35 0.00 -2.02 0.00 0.00 58.31 56.81 2wxh n LYS 757 Cb 0.12 -5.33 0.05 0.00 -0.02 0.00 0.00 35.03 29.86 2wxh n LYS 757 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2wxh s PRO 758 N -5.60 2.67 0.10 1.97 0.04 -1.26 -4.63 135.00 128.30 2wxh s PRO 758 Ca 0.12 1.73 -0.11 0.00 0.04 0.00 0.00 61.00 62.78 2wxh s PRO 758 Cb -0.03 -1.90 -0.06 0.00 0.04 0.00 0.00 34.50 32.55 2wxh s PRO 758 CO 0.79 -1.42 0.45 -0.51 0.04 0.00 0.00 177.00 176.35 2wxh s LEU 759 N -4.55 4.35 -0.29 -3.56 1.43 -0.17 -1.55 118.68 114.34 2wxh s LEU 759 Ca 0.75 0.89 -0.03 0.00 -1.03 0.00 0.00 54.13 54.70 2wxh s LEU 759 Cb -0.28 -3.05 0.03 0.00 0.03 0.00 0.00 46.19 42.92 2wxh s LEU 759 CO 0.38 0.16 0.01 0.86 0.23 0.00 0.00 176.35 177.99 2wxh s TRP 760 N -1.40 3.18 -0.21 0.29 -0.11 -0.02 -1.62 118.94 119.05 2wxh s TRP 760 Ca 0.34 -1.54 -0.00 0.00 1.22 0.00 0.00 56.10 56.12 2wxh s TRP 760 Cb -0.14 -2.14 0.02 0.00 -1.50 0.00 0.00 33.47 29.70 2wxh s TRP 760 CO 0.18 -0.73 -0.14 0.42 -4.62 0.00 0.00 176.95 172.07 2wxh s ILE 761 N 1.34 2.47 0.08 5.86 -1.09 0.37 -1.52 121.20 128.70 2wxh s ILE 761 Ca -0.02 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 2wxh s ILE 761 Cb -0.18 -2.13 -0.04 0.00 -1.58 0.00 0.00 42.46 38.53 2wxh s ILE 761 CO -0.01 0.41 0.15 -0.04 -1.23 0.00 0.00 174.94 174.22 2wxh s MET 762 N 1.32 3.17 0.12 2.79 -1.94 -1.26 -0.70 119.30 122.79 2wxh s MET 762 Ca 0.03 -0.57 0.05 0.00 -1.71 0.00 0.00 55.69 53.48 2wxh s MET 762 Cb -0.14 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.77 2wxh s MET 762 CO -0.09 0.58 -0.11 0.71 -0.01 0.00 0.00 175.02 176.10 2wxh s TYR 763 N -1.47 1.21 0.05 -0.03 2.02 0.19 -0.20 117.35 119.11 2wxh s TYR 763 Ca 0.32 -0.65 -0.01 0.00 -0.37 0.00 0.00 57.07 56.37 2wxh s TYR 763 Cb -0.12 -0.64 -0.04 0.00 -0.40 0.00 0.00 41.96 40.76 2wxh s TYR 763 CO 0.25 0.06 -0.03 -1.54 -1.57 0.00 0.00 175.55 172.73 2wxh s SER 764 N -2.61 0.46 -0.20 2.29 1.04 -0.54 -2.61 113.70 111.53 2wxh s SER 764 Ca 0.09 -0.93 -0.04 0.00 0.48 0.00 0.00 55.95 55.55 2wxh s SER 764 Cb -0.02 0.19 0.10 0.00 0.10 0.00 0.00 66.02 66.38 2wxh s SER 764 CO 0.01 -0.56 0.26 -0.55 0.98 0.00 0.00 173.24 173.38 2wxh s SER 765 N -2.73 1.00 0.24 7.02 0.15 -1.25 -1.72 113.70 116.41 2wxh s SER 765 Ca 0.04 -0.01 -0.10 0.00 0.70 0.00 0.00 55.95 56.58 2wxh s SER 765 Cb 0.06 0.57 0.36 0.00 -1.71 0.00 0.00 66.02 65.29 2wxh s SER 765 CO -0.09 -0.31 1.61 -0.33 1.20 0.00 0.00 173.24 175.33 2wxh h GLU 766 N 8.28 0.03 -0.34 5.44 5.08 -1.96 -2.05 114.58 129.06 2wxh h GLU 766 Ca -0.17 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.11 2wxh h GLU 766 Cb 1.15 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 30.37 2wxh h GLU 766 CO 0.26 0.02 -0.13 1.49 -1.00 0.00 0.00 179.01 179.64 2wxh h GLU 767 N 0.03 0.60 0.00 2.33 4.57 -1.97 -2.84 114.58 117.29 2wxh h GLU 767 Ca 0.38 -0.19 0.00 0.00 -1.18 0.00 0.00 59.36 58.38 2wxh h GLU 767 Cb 0.62 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.16 2wxh h GLU 767 CO -0.75 0.71 -0.23 0.00 -1.18 0.00 0.00 179.01 177.56 2wxh n ALA 768 N -2.48 2.83 -0.86 2.92 0.00 -0.97 -3.89 120.51 118.07 2wxh n ALA 768 Ca 0.01 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wxh n ALA 768 Cb 0.35 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.48 2wxh n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxh n GLY 769 N 1.47 2.61 0.28 0.00 0.00 -0.81 -3.18 105.19 105.55 2wxh n GLY 769 Ca 0.06 -0.37 0.06 0.00 0.00 0.00 0.00 46.02 45.77 2wxh n GLY 769 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wxh h SER 770 N 8.49 -0.03 0.22 1.61 0.02 -1.92 -1.16 113.55 120.77 2wxh h SER 770 Ca 0.00 0.16 0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2wxh h SER 770 Cb 0.00 0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.76 2wxh h SER 770 CO 0.00 -0.07 0.00 0.00 -1.14 0.00 0.00 176.83 175.62 2wxh n ALA 771 N -2.70 1.26 0.68 3.77 0.00 -1.19 -1.43 120.51 120.90 2wxh n ALA 771 Ca 0.15 0.04 0.12 0.00 0.00 0.00 0.00 53.44 53.75 2wxh n ALA 771 Cb 0.49 -1.17 0.22 0.00 0.00 0.00 0.00 19.45 18.99 2wxh n ALA 771 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxh n GLY 772 N -0.90 -1.40 3.55 0.00 0.00 -0.44 -4.67 105.19 101.33 2wxh n GLY 772 Ca 0.01 -0.25 -0.41 0.00 0.00 0.00 0.00 46.02 45.36 2wxh n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxh s ASN 773 N -3.92 6.29 0.04 1.61 0.01 -0.51 -3.79 114.94 114.67 2wxh s ASN 773 Ca 0.08 -0.87 -0.01 0.00 -0.71 0.00 0.00 52.86 51.35 2wxh s ASN 773 Cb 0.14 -2.55 -0.03 0.00 0.41 0.00 0.00 41.25 39.22 2wxh s ASN 773 CO 0.70 -1.68 -0.03 0.68 -1.51 0.00 0.00 177.10 175.26 2wxh s VAL 774 N 5.31 0.18 0.14 1.60 -7.23 -1.07 -4.99 120.40 114.33 2wxh s VAL 774 Ca 0.38 -1.45 0.05 0.00 -1.81 0.00 0.00 61.98 59.15 2wxh s VAL 774 Cb -0.05 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.82 2wxh s VAL 774 CO 0.05 -0.80 -0.12 -0.83 -0.31 0.00 0.00 175.10 173.09 2wxh s GLY 775 N -2.35 1.09 0.03 2.32 0.00 -1.26 -0.64 107.32 106.52 2wxh s GLY 775 Ca -0.02 -1.41 0.04 0.00 0.00 0.00 0.00 44.72 43.34 2wxh s GLY 775 CO -0.06 -1.49 -0.13 -0.26 0.00 0.00 0.00 173.10 171.16 2wxh s ILE 776 N -2.73 0.99 -0.15 0.90 -4.36 0.12 -1.58 121.20 114.40 2wxh s ILE 776 Ca 0.13 -0.92 -0.04 0.00 -0.26 0.00 0.00 60.65 59.56 2wxh s ILE 776 Cb -0.01 -0.91 -0.03 0.00 1.25 0.00 0.00 42.46 42.76 2wxh s ILE 776 CO 0.02 -0.01 -0.01 -0.63 0.24 0.00 0.00 174.94 174.55 2wxh s ILE 777 N -0.82 4.16 -0.18 8.37 1.01 0.72 -0.48 121.20 133.98 2wxh s ILE 777 Ca 0.01 -0.27 -0.04 0.00 0.00 0.00 0.00 60.65 60.35 2wxh s ILE 777 Cb -0.07 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.55 2wxh s ILE 777 CO 0.01 0.51 -0.04 0.12 0.00 0.00 0.00 174.94 175.54 2wxh s PHE 778 N 0.14 2.98 -0.06 3.97 5.36 -0.64 -0.94 117.98 128.79 2wxh s PHE 778 Ca 0.01 -0.57 0.02 0.00 -0.96 0.00 0.00 56.93 55.43 2wxh s PHE 778 Cb -0.13 -2.02 0.01 0.00 -0.34 0.00 0.00 43.02 40.54 2wxh s PHE 778 CO 0.02 -0.27 -0.11 0.21 -1.46 0.00 0.00 175.22 173.62 2wxh s LYS 779 N 0.87 1.54 -0.11 10.12 2.20 -0.76 -0.99 119.74 132.61 2wxh s LYS 779 Ca -0.01 -0.36 0.01 0.00 -0.36 0.00 0.00 55.97 55.25 2wxh s LYS 779 Cb -0.15 -1.30 0.02 0.00 -1.51 0.00 0.00 37.83 34.89 2wxh s LYS 779 CO 0.01 0.02 -0.12 1.21 -0.36 0.00 0.00 175.35 176.11 2wxh s ASN 780 N 0.67 2.31 0.00 1.43 2.47 -1.26 -1.93 114.94 118.63 2wxh s ASN 780 Ca -0.14 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.76 2wxh s ASN 780 Cb -0.15 -0.99 0.00 0.00 -1.45 0.00 0.00 41.25 38.66 2wxh s ASN 780 CO 0.03 -0.05 0.00 0.61 -3.72 0.00 0.00 177.10 173.97 2wxh n GLY 781 N 4.55 1.29 3.69 1.21 0.00 0.81 -4.88 105.19 111.86 2wxh n GLY 781 Ca -0.17 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.57 2wxh n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxh s ASP 782 N -0.45 4.99 -0.42 1.61 1.01 -1.23 -4.98 116.67 117.20 2wxh s ASP 782 Ca 0.00 -0.25 -0.29 0.00 0.71 0.00 0.00 52.55 52.72 2wxh s ASP 782 Cb 0.00 -1.16 0.02 0.00 1.01 0.00 0.00 42.92 42.80 2wxh s ASP 782 CO 0.00 0.13 1.10 -0.62 0.21 0.00 0.00 175.17 175.99 2wxh s ASP 783 N -2.64 6.74 0.00 0.27 2.15 -1.26 -4.05 116.67 117.87 2wxh s ASP 783 Ca 0.27 0.66 0.28 0.00 0.43 0.00 0.00 52.55 54.19 2wxh s ASP 783 Cb -0.11 -2.54 1.06 0.00 -0.30 0.00 0.00 42.92 41.03 2wxh s ASP 783 CO 0.19 -1.10 1.75 0.18 -0.17 0.00 0.00 175.17 176.02 2wxh n LEU 784 N 7.43 1.16 -0.32 -1.34 4.77 -1.26 -4.44 117.00 123.01 2wxh n LEU 784 Ca 0.12 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.70 2wxh n LEU 784 Cb 0.48 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.61 2wxh n LEU 784 CO 0.66 0.20 1.19 0.03 -1.33 0.00 0.00 177.39 178.15 2wxh h ARG 785 N 1.71 1.17 -0.41 3.23 3.08 -1.98 -0.56 114.38 120.62 2wxh h ARG 785 Ca 0.00 -0.11 -0.11 0.00 0.07 0.00 0.00 59.98 59.83 2wxh h ARG 785 Cb 0.45 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2wxh h ARG 785 CO 0.00 0.82 -0.17 0.37 -1.07 0.00 0.00 179.97 179.92 2wxh h GLN 786 N 1.18 0.84 -0.10 0.04 4.15 -1.96 -1.04 115.11 118.22 2wxh h GLN 786 Ca 0.31 -0.36 0.01 0.00 0.77 0.00 0.00 58.65 59.38 2wxh h GLN 786 Cb -0.05 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.60 2wxh h GLN 786 CO -0.06 0.99 0.02 0.22 -1.93 0.00 0.00 178.83 178.08 2wxh h ASP 787 N 0.66 0.01 -0.28 -0.69 1.82 -1.76 -1.06 116.42 115.12 2wxh h ASP 787 Ca 0.09 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.75 2wxh h ASP 787 Cb 0.73 0.02 -0.01 0.00 0.68 0.00 0.00 39.33 40.74 2wxh h ASP 787 CO 0.06 0.02 0.16 -0.03 -1.61 0.00 0.00 179.24 177.84 2wxh h MET 788 N 0.07 0.38 -0.30 0.28 4.05 -0.90 -0.97 114.93 117.53 2wxh h MET 788 Ca 0.04 -0.04 -0.02 0.00 -0.28 0.00 0.00 59.70 59.40 2wxh h MET 788 Cb 0.04 -0.08 -0.01 0.00 -0.80 0.00 0.00 31.60 30.74 2wxh h MET 788 CO -0.06 0.31 0.10 1.25 0.23 0.00 0.00 176.91 178.74 2wxh h LEU 789 N 0.35 0.44 0.06 3.39 5.85 -1.12 -0.34 115.31 123.94 2wxh h LEU 789 Ca 0.10 -0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.64 2wxh h LEU 789 Cb 0.03 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 40.91 2wxh h LEU 789 CO -0.02 0.53 -0.19 0.74 -0.34 0.00 0.00 178.44 179.16 2wxh h THR 790 N 0.33 0.56 -0.76 1.05 2.02 -1.01 -1.07 112.91 114.03 2wxh h THR 790 Ca 0.10 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.32 2wxh h THR 790 Cb 0.24 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.17 2wxh h THR 790 CO -0.00 0.00 0.50 -0.07 0.37 0.00 0.00 175.52 176.31 2wxh h LEU 791 N -0.34 0.76 -0.64 2.58 3.38 -1.05 -1.36 115.31 118.65 2wxh h LEU 791 Ca 0.04 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.87 2wxh h LEU 791 Cb 0.38 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2wxh h LEU 791 CO -0.14 0.51 -0.45 1.56 0.09 0.00 0.00 178.44 180.02 2wxh h GLN 792 N 0.88 0.54 -0.33 1.13 4.20 -0.64 -0.78 115.11 120.11 2wxh h GLN 792 Ca 0.31 -0.29 -0.13 0.00 0.06 0.00 0.00 58.65 58.59 2wxh h GLN 792 Cb 0.13 0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.91 2wxh h GLN 792 CO -0.10 0.88 -0.34 0.52 -0.67 0.00 0.00 178.83 179.13 2wxh h MET 793 N 0.44 0.74 -0.58 1.46 2.86 -0.75 -0.86 114.93 118.24 2wxh h MET 793 Ca 0.03 -0.35 -0.11 0.00 -2.06 0.00 0.00 59.70 57.21 2wxh h MET 793 Cb 0.96 -0.01 -0.02 0.00 0.06 0.00 0.00 31.60 32.59 2wxh h MET 793 CO 0.09 0.97 -0.05 0.82 1.06 0.00 0.00 176.91 179.80 2wxh h ILE 794 N 0.62 1.27 -0.73 -1.22 2.04 -1.15 -0.91 117.51 117.43 2wxh h ILE 794 Ca 0.06 -1.21 -0.03 0.00 1.00 0.00 0.00 64.86 64.68 2wxh h ILE 794 Cb 0.87 0.87 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 2wxh h ILE 794 CO 0.08 0.43 0.33 -0.61 0.00 0.00 0.00 178.15 178.38 2wxh h GLN 795 N 0.95 1.06 -0.44 2.37 4.15 -0.92 -0.86 115.11 121.43 2wxh h GLN 795 Ca 0.16 -0.16 -0.04 0.00 0.77 0.00 0.00 58.65 59.38 2wxh h GLN 795 Cb 0.62 -0.19 -0.02 0.00 0.21 0.00 0.00 27.48 28.10 2wxh h GLN 795 CO 0.04 0.83 0.12 1.25 -1.93 0.00 0.00 178.83 179.14 2wxh h LEU 796 N 1.04 0.66 -0.65 -2.39 5.85 -0.84 -1.90 115.31 117.08 2wxh h LEU 796 Ca 0.25 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.82 2wxh h LEU 796 Cb 0.14 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.94 2wxh h LEU 796 CO -0.03 0.71 0.33 0.24 -0.34 0.00 0.00 178.44 179.35 2wxh h MET 797 N 0.58 0.57 -0.63 1.25 2.86 -0.72 -0.61 114.93 118.22 2wxh h MET 797 Ca 0.14 -0.03 0.01 0.00 -2.06 0.00 0.00 59.70 57.75 2wxh h MET 797 Cb 0.30 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.80 2wxh h MET 797 CO -0.00 0.38 0.42 0.22 1.06 0.00 0.00 176.91 178.98 2wxh h ASP 798 N 0.59 0.72 -0.31 1.22 3.58 -0.90 -0.15 116.42 121.16 2wxh h ASP 798 Ca 0.31 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 2wxh h ASP 798 Cb 0.28 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.14 2wxh h ASP 798 CO -0.23 0.52 0.15 0.58 -2.88 0.00 0.00 179.24 177.38 2wxh h VAL 799 N 0.85 1.15 -0.46 2.25 2.07 -0.79 -1.30 116.25 120.02 2wxh h VAL 799 Ca 0.23 -0.42 -0.06 0.00 0.82 0.00 0.00 66.70 67.28 2wxh h VAL 799 Cb -0.09 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 30.52 2wxh h VAL 799 CO -0.05 0.15 0.04 -0.07 0.02 0.00 0.00 177.57 177.66 2wxh h LEU 800 N 0.36 0.69 -0.12 2.57 3.38 -0.74 -0.76 115.31 120.70 2wxh h LEU 800 Ca 0.11 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wxh h LEU 800 Cb 0.11 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.67 2wxh h LEU 800 CO -0.01 0.74 -0.00 -0.50 0.09 0.00 0.00 178.44 178.75 2wxh h TRP 801 N 0.70 0.23 -0.32 1.13 6.55 -0.90 -3.15 115.95 120.18 2wxh h TRP 801 Ca 0.15 -0.04 -0.04 0.00 0.95 0.00 0.00 58.89 59.90 2wxh h TRP 801 Cb 0.37 -0.06 -0.02 0.00 -0.86 0.00 0.00 29.16 28.59 2wxh h TRP 801 CO 0.02 0.46 0.02 0.87 -1.05 0.00 0.00 178.44 178.75 2wxh h LYS 802 N -0.07 0.49 0.00 0.49 1.57 -0.72 0.03 116.57 118.36 2wxh h LYS 802 Ca 0.03 -0.09 -0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2wxh h LYS 802 Cb 0.37 -0.08 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 2wxh h LYS 802 CO 0.01 0.50 -0.00 1.96 -0.57 0.00 0.00 179.45 181.35 2wxh h GLN 803 N 0.47 0.00 -0.51 3.15 4.20 -1.11 0.01 115.11 121.33 2wxh h GLN 803 Ca 0.11 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.82 2wxh h GLN 803 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2wxh h GLN 803 CO 0.01 0.00 0.00 0.39 -0.67 0.00 0.00 178.83 178.56 2wxh n GLU 804 N -3.30 3.59 -1.57 1.46 -0.58 -0.23 -4.95 120.64 115.05 2wxh n GLU 804 Ca -0.03 -2.79 -0.05 0.00 -0.42 0.00 0.00 57.16 53.87 2wxh n GLU 804 Cb 0.09 -1.84 -0.01 0.00 -0.57 0.00 0.00 31.44 29.11 2wxh n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxh n GLY 805 N 0.62 0.49 3.21 0.62 0.00 -0.01 -5.02 105.19 105.10 2wxh n GLY 805 Ca 0.23 -0.77 -0.35 0.00 0.00 0.00 0.00 46.02 45.12 2wxh n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxh s LEU 806 N -1.24 3.77 -0.42 0.99 2.96 -0.17 -4.97 118.68 119.60 2wxh s LEU 806 Ca 0.00 -1.09 -0.07 0.00 -0.22 0.00 0.00 54.13 52.74 2wxh s LEU 806 Cb 0.00 -1.74 0.09 0.00 0.50 0.00 0.00 46.19 45.04 2wxh s LEU 806 CO 0.00 -0.23 0.25 -0.62 -1.32 0.00 0.00 176.35 174.43 2wxh s ASP 807 N 1.32 5.52 -0.04 3.68 2.15 -1.26 -2.16 116.67 125.88 2wxh s ASP 807 Ca -0.03 -1.68 0.09 0.00 0.43 0.00 0.00 52.55 51.36 2wxh s ASP 807 Cb -0.19 -1.94 0.32 0.00 -0.30 0.00 0.00 42.92 40.81 2wxh s ASP 807 CO -0.01 -0.55 1.17 0.18 -0.17 0.00 0.00 175.17 175.79 2wxh n LEU 808 N 4.83 2.27 -3.63 -1.34 4.77 -1.26 -4.92 117.00 117.71 2wxh n LEU 808 Ca -0.08 -1.14 -0.22 0.00 -0.03 0.00 0.00 56.01 54.53 2wxh n LEU 808 Cb 0.42 -0.36 0.06 0.00 -2.33 0.00 0.00 43.42 41.21 2wxh n LEU 808 CO 0.38 0.43 0.10 0.54 -1.33 0.00 0.00 177.39 177.51 2wxh n ARG 809 N 0.39 -6.33 -1.33 3.23 5.12 -1.26 -1.58 116.66 114.90 2wxh n ARG 809 Ca 0.12 0.74 -0.29 0.00 -1.93 0.00 0.00 57.85 56.49 2wxh n ARG 809 Cb 0.43 -5.62 0.16 0.00 -1.16 0.00 0.00 32.46 26.27 2wxh n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxh s MET 810 N -6.00 0.62 -0.57 5.56 -1.94 -1.26 -4.59 119.30 111.12 2wxh s MET 810 Ca 0.27 0.36 0.04 0.00 -1.71 0.00 0.00 55.69 54.66 2wxh s MET 810 Cb -0.13 -1.77 0.17 0.00 2.01 0.00 0.00 34.83 35.11 2wxh s MET 810 CO 0.77 -2.57 0.42 0.99 -0.01 0.00 0.00 175.02 174.62 2wxh s THR 811 N -3.12 1.70 -1.29 2.05 2.01 -1.26 -5.03 115.64 110.70 2wxh s THR 811 Ca 0.65 -3.50 -0.15 0.00 0.31 0.00 0.00 61.69 59.00 2wxh s THR 811 Cb -0.16 -2.13 -0.02 0.00 0.01 0.00 0.00 72.50 70.19 2wxh s THR 811 CO 0.56 -1.11 2.22 -0.81 -0.69 0.00 0.00 174.62 174.79 2wxh n PRO 812 N 2.40 2.58 -2.30 4.92 -0.04 -1.26 -4.97 135.00 136.34 2wxh n PRO 812 Ca 0.24 -2.35 -0.33 0.00 -0.04 0.00 0.00 63.50 61.02 2wxh n PRO 812 Cb 0.41 -3.13 -0.02 0.00 -0.04 0.00 0.00 33.50 30.72 2wxh n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxh s TYR 813 N 3.54 3.09 0.39 0.54 -0.85 -1.26 -5.00 117.35 117.79 2wxh s TYR 813 Ca 0.51 1.53 -0.25 0.00 -0.52 0.00 0.00 57.07 58.35 2wxh s TYR 813 Cb 0.14 -2.98 -0.09 0.00 0.38 0.00 0.00 41.96 39.41 2wxh s TYR 813 CO -0.04 -0.85 1.07 0.20 -1.52 0.00 0.00 175.55 174.41 2wxh s GLY 814 N -2.55 2.78 -0.08 5.49 0.00 -1.26 -4.87 107.32 106.83 2wxh s GLY 814 Ca 0.64 0.74 -0.03 0.00 0.00 0.00 0.00 44.72 46.07 2wxh s GLY 814 CO 0.29 1.20 0.15 0.00 0.00 0.00 0.00 173.10 174.74 2wxh s LEU 816 N 1.97 0.71 0.28 0.00 2.96 0.44 -4.78 118.68 120.26 2wxh s LEU 816 Ca -0.00 -0.88 -0.30 0.00 -0.22 0.00 0.00 54.13 52.73 2wxh s LEU 816 Cb -0.12 -0.39 -0.10 0.00 0.50 0.00 0.00 46.19 46.08 2wxh s LEU 816 CO -0.06 -0.36 1.44 -2.84 -1.32 0.00 0.00 176.35 173.20 2wxh s PRO 817 N 2.03 4.25 0.00 0.98 0.02 -1.26 -1.31 135.00 139.71 2wxh s PRO 817 Ca 0.03 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.39 2wxh s PRO 817 Cb -0.16 -3.08 0.00 0.00 0.02 0.00 0.00 34.50 31.27 2wxh s PRO 817 CO -0.16 -0.41 0.00 0.25 -0.33 0.00 0.00 177.00 176.35 2wxh n THR 818 N 1.90 0.00 -2.42 0.99 -2.24 -0.00 -4.68 114.28 107.82 2wxh n THR 818 Ca 0.05 -0.01 0.00 0.00 -2.27 0.00 0.00 64.05 61.82 2wxh n THR 818 Cb 0.40 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 69.09 2wxh n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxh n GLY 819 N 2.17 2.13 3.61 3.38 0.00 -1.03 -3.80 105.19 111.64 2wxh n GLY 819 Ca 0.00 -0.71 -0.43 0.00 0.00 0.00 0.00 46.02 44.88 2wxh n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxh s ASP 820 N 1.83 6.37 -1.70 1.61 -1.08 -1.26 -2.47 116.67 119.97 2wxh s ASP 820 Ca 0.00 0.94 -0.16 0.00 -0.52 0.00 0.00 52.55 52.81 2wxh s ASP 820 Cb 0.00 -2.54 0.14 0.00 -1.46 0.00 0.00 42.92 39.06 2wxh s ASP 820 CO 0.00 -1.38 0.62 0.54 0.52 0.00 0.00 175.17 175.47 2wxh n ARG 821 N 7.95 -2.37 -4.11 4.34 1.74 -1.26 -4.77 116.66 118.18 2wxh n ARG 821 Ca 0.17 0.29 -0.15 0.00 -0.77 0.00 0.00 57.85 57.39 2wxh n ARG 821 Cb 0.48 -4.79 -0.14 0.00 -1.02 0.00 0.00 32.46 26.99 2wxh n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxh s THR 822 N -3.47 0.38 0.00 0.55 2.01 -1.03 -0.14 115.64 113.94 2wxh s THR 822 Ca 0.60 -0.36 -0.11 0.00 0.31 0.00 0.00 61.69 62.12 2wxh s THR 822 Cb -0.33 -0.35 0.04 0.00 0.01 0.00 0.00 72.50 71.86 2wxh s THR 822 CO 0.95 0.00 0.51 0.61 -0.69 0.00 0.00 174.62 176.01 2wxh n GLY 823 N 2.67 0.54 3.39 4.40 0.00 -0.82 -0.82 105.19 114.56 2wxh n GLY 823 Ca -0.15 -0.93 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 2wxh n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxh s LEU 824 N 0.00 2.33 -0.03 0.99 1.43 -0.43 -1.82 118.68 121.15 2wxh s LEU 824 Ca 0.12 -0.74 0.03 0.00 -1.03 0.00 0.00 54.13 52.51 2wxh s LEU 824 Cb -0.00 -1.23 -0.00 0.00 0.03 0.00 0.00 46.19 44.98 2wxh s LEU 824 CO 0.00 0.18 -0.12 -0.63 0.23 0.00 0.00 176.35 176.01 2wxh s ILE 825 N -1.07 1.00 0.11 -0.59 1.09 -0.12 -0.42 121.20 121.20 2wxh s ILE 825 Ca 0.14 -0.49 -0.31 0.00 -1.10 0.00 0.00 60.65 58.89 2wxh s ILE 825 Cb -0.10 -0.87 -0.07 0.00 -1.06 0.00 0.00 42.46 40.36 2wxh s ILE 825 CO 0.06 0.30 1.29 -0.70 -0.10 0.00 0.00 174.94 175.79 2wxh s GLU 826 N 0.05 4.39 0.03 2.79 2.12 0.38 -0.20 118.70 128.26 2wxh s GLU 826 Ca -0.02 1.93 -0.30 0.00 0.36 0.00 0.00 54.97 56.94 2wxh s GLU 826 Cb -0.09 -3.28 -0.05 0.00 0.26 0.00 0.00 34.13 30.97 2wxh s GLU 826 CO 0.01 -0.32 1.21 0.08 -0.54 0.00 0.00 175.26 175.70 2wxh s VAL 827 N 0.90 4.06 -0.47 3.70 1.01 -0.61 -4.67 120.40 124.30 2wxh s VAL 827 Ca 0.60 1.46 -0.21 0.00 0.00 0.00 0.00 61.98 63.83 2wxh s VAL 827 Cb -0.33 -3.93 0.04 0.00 0.00 0.00 0.00 36.38 32.15 2wxh s VAL 827 CO 0.31 0.08 0.68 -0.69 0.00 0.00 0.00 175.10 175.48 2wxh s VAL 828 N 1.40 4.78 0.85 2.92 1.01 -1.26 -4.63 120.40 125.47 2wxh s VAL 828 Ca 0.58 -0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.40 2wxh s VAL 828 Cb -0.29 -4.28 0.10 0.00 0.00 0.00 0.00 36.38 31.91 2wxh s VAL 828 CO 0.27 -0.73 1.15 -0.76 0.00 0.00 0.00 175.10 175.04 2wxh s LEU 829 N 2.92 2.32 -1.45 3.92 1.43 -1.26 -4.09 118.68 122.46 2wxh s LEU 829 Ca 0.21 0.90 -0.06 0.00 -1.03 0.00 0.00 54.13 54.16 2wxh s LEU 829 Cb -0.15 -3.35 0.04 0.00 0.03 0.00 0.00 46.19 42.76 2wxh s LEU 829 CO 0.17 -2.16 0.69 1.41 0.23 0.00 0.00 176.35 176.69 2wxh n HIS 830 N -3.50 -1.89 -4.14 0.29 8.25 -1.26 -4.87 115.22 108.10 2wxh n HIS 830 Ca 0.07 0.82 -0.10 0.00 -0.26 0.00 0.00 57.72 58.26 2wxh n HIS 830 Cb 0.60 -3.88 -0.10 0.00 1.12 0.00 0.00 29.99 27.73 2wxh n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxh s SER 831 N -3.97 0.94 0.08 0.41 1.04 -1.26 -1.79 113.70 109.16 2wxh s SER 831 Ca 0.26 -0.99 -0.06 0.00 0.48 0.00 0.00 55.95 55.65 2wxh s SER 831 Cb -0.14 0.12 -0.02 0.00 0.10 0.00 0.00 66.02 66.09 2wxh s SER 831 CO 0.86 -0.49 0.12 -0.62 0.98 0.00 0.00 173.24 174.08 2wxh s ASP 832 N -2.95 0.25 0.41 7.02 -1.08 -0.63 -4.96 116.67 114.72 2wxh s ASP 832 Ca 0.10 -0.81 -0.23 0.00 -0.52 0.00 0.00 52.55 51.08 2wxh s ASP 832 Cb 0.05 0.30 -0.09 0.00 -1.46 0.00 0.00 42.92 41.72 2wxh s ASP 832 CO -0.06 -0.70 1.03 0.42 0.52 0.00 0.00 175.17 176.38 2wxh s THR 833 N -3.90 3.84 0.22 1.71 -4.23 -1.26 -1.08 115.64 110.95 2wxh s THR 833 Ca 0.08 1.34 -0.08 0.00 -1.18 0.00 0.00 61.69 61.85 2wxh s THR 833 Cb 0.06 -3.66 0.18 0.00 1.34 0.00 0.00 72.50 70.42 2wxh s THR 833 CO -0.09 -0.06 1.71 0.40 -0.54 0.00 0.00 174.62 176.04 2wxh h ILE 834 N 2.09 0.64 -0.46 2.99 1.08 -1.26 -2.14 117.51 120.45 2wxh h ILE 834 Ca -0.48 -0.11 0.07 0.00 -0.39 0.00 0.00 64.86 63.95 2wxh h ILE 834 Cb 1.21 0.31 -0.06 0.00 -3.07 0.00 0.00 36.82 35.20 2wxh h ILE 834 CO 0.62 0.06 0.10 0.00 -0.69 0.00 0.00 178.15 178.23 2wxh h ALA 835 N 1.50 0.51 -0.65 1.87 0.00 -1.14 0.16 119.26 121.52 2wxh h ALA 835 Ca 0.34 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 55.31 2wxh h ALA 835 Cb 0.51 0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.39 2wxh h ALA 835 CO -0.40 -0.30 0.28 -0.97 0.00 0.00 0.00 179.25 177.85 2wxh h ASN 836 N 0.24 0.87 -0.64 0.00 -1.24 -1.75 -2.45 115.58 110.62 2wxh h ASN 836 Ca 0.23 -0.15 -0.02 0.00 0.71 0.00 0.00 56.30 57.06 2wxh h ASN 836 Cb 0.29 -0.23 -0.03 0.00 0.73 0.00 0.00 38.32 39.08 2wxh h ASN 836 CO -0.29 0.79 0.31 0.40 -1.29 0.00 0.00 177.43 177.35 2wxh h ILE 837 N 0.90 1.22 0.00 2.57 2.04 -0.87 -2.81 117.51 120.56 2wxh h ILE 837 Ca 0.22 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2wxh h ILE 837 Cb 0.17 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2wxh h ILE 837 CO -0.02 0.25 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2wxh n GLN 838 N -4.50 0.05 0.31 2.37 6.02 0.52 -2.41 117.38 119.74 2wxh n GLN 838 Ca 0.04 0.23 0.20 0.00 -0.01 0.00 0.00 57.00 57.45 2wxh n GLN 838 Cb 0.12 -1.50 1.07 0.00 1.02 0.00 0.00 30.24 30.95 2wxh n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxh h LEU 839 N 0.00 0.00 -2.62 1.08 3.38 -1.17 -3.46 115.31 112.51 2wxh h LEU 839 Ca 0.00 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 57.56 2wxh h LEU 839 Cb 0.23 0.00 0.08 0.00 0.09 0.00 0.00 40.66 41.06 2wxh h LEU 839 CO 0.00 0.00 -0.90 -3.20 0.09 0.00 0.00 178.44 174.43 2wxh n ASN 840 N -3.36 -3.93 -4.79 -0.43 5.15 -1.01 -4.92 115.26 101.97 2wxh n ASN 840 Ca -0.03 -0.93 -0.34 0.00 -0.60 0.00 0.00 54.58 52.68 2wxh n ASN 840 Cb 0.12 -3.75 -0.02 0.00 -0.53 0.00 0.00 39.78 35.60 2wxh n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wxh s LYS 841 N -5.83 3.61 0.86 1.20 1.02 -1.26 -4.82 119.74 114.51 2wxh s LYS 841 Ca 0.31 1.47 -0.12 0.00 0.02 0.00 0.00 55.97 57.65 2wxh s LYS 841 Cb -0.10 -2.06 0.11 0.00 -0.52 0.00 0.00 37.83 35.26 2wxh s LYS 841 CO 0.84 -0.61 1.12 -1.54 -0.92 0.00 0.00 175.35 174.24 2wxh s SER 842 N -1.89 3.99 -1.12 2.83 1.04 -1.26 -4.15 113.70 113.14 2wxh s SER 842 Ca 0.70 1.10 0.00 0.00 0.48 0.00 0.00 55.95 58.23 2wxh s SER 842 Cb -0.20 -1.74 0.00 0.00 0.10 0.00 0.00 66.02 64.18 2wxh s SER 842 CO 0.23 -2.26 0.00 -3.20 0.98 0.00 0.00 173.24 168.99 2wxh n ASN 843 N -3.60 -4.57 -4.45 7.02 5.15 -1.26 -4.98 115.26 108.58 2wxh n ASN 843 Ca 0.07 0.26 -0.23 0.00 -0.60 0.00 0.00 54.58 54.08 2wxh n ASN 843 Cb 0.58 -3.00 -0.10 0.00 -0.53 0.00 0.00 39.78 36.73 2wxh n ASN 843 CO 0.00 0.00 0.00 -0.04 1.40 0.00 0.00 177.26 178.62 2wxh s MET 844 N -2.77 1.61 0.48 1.20 -1.94 -1.26 -5.03 119.30 111.59 2wxh s MET 844 Ca 0.00 -1.74 0.22 0.00 -1.71 0.00 0.00 55.69 52.46 2wxh s MET 844 Cb 0.00 -1.63 1.21 0.00 2.01 0.00 0.00 34.83 36.42 2wxh s MET 844 CO 0.00 0.29 2.00 0.00 -0.01 0.00 0.00 175.02 177.30 2wxh h ALA 845 N 2.32 1.38 -0.29 3.03 0.00 -1.93 -3.04 119.26 120.73 2wxh h ALA 845 Ca -0.40 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.35 2wxh h ALA 845 Cb 1.25 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2wxh h ALA 845 CO 0.61 0.22 0.00 0.00 0.00 0.00 0.00 179.25 180.08 2wxh n ALA 846 N -2.36 2.46 -1.68 0.00 0.00 -1.26 -4.89 120.51 112.78 2wxh n ALA 846 Ca -0.02 -0.78 -0.48 0.00 0.00 0.00 0.00 53.44 52.15 2wxh n ALA 846 Cb 0.28 -0.96 -0.05 0.00 0.00 0.00 0.00 19.45 18.71 2wxh n ALA 846 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 2wxh n THR 847 N 0.99 0.38 -4.78 0.00 -1.04 -1.15 -4.60 114.28 104.09 2wxh n THR 847 Ca 0.18 -0.07 -0.28 0.00 -2.04 0.00 0.00 64.05 61.84 2wxh n THR 847 Cb 0.49 -1.71 -0.14 0.00 -1.82 0.00 0.00 70.33 67.14 2wxh n THR 847 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2wxh s ALA 848 N 3.04 2.01 0.31 2.41 0.00 -1.26 -5.03 121.76 123.24 2wxh s ALA 848 Ca 0.89 -1.17 -0.00 0.00 0.00 0.00 0.00 51.96 51.68 2wxh s ALA 848 Cb -0.72 -0.41 0.51 0.00 0.00 0.00 0.00 23.12 22.50 2wxh s ALA 848 CO 0.48 0.47 1.94 0.00 0.00 0.00 0.00 175.76 178.65 2wxh h ALA 849 N 4.83 1.40 -3.91 0.00 0.00 -1.97 -3.42 119.26 116.19 2wxh h ALA 849 Ca -0.45 -0.10 -0.55 0.00 0.00 0.00 0.00 54.91 53.82 2wxh h ALA 849 Cb 1.15 -0.27 -0.31 0.00 0.00 0.00 0.00 17.79 18.36 2wxh h ALA 849 CO 0.44 0.50 -0.83 -0.06 0.00 0.00 0.00 179.25 179.29 2wxh s PHE 850 N -5.63 1.63 0.46 0.00 0.08 -1.26 -5.04 117.98 108.21 2wxh s PHE 850 Ca -0.10 -0.45 0.13 0.00 0.12 0.00 0.00 56.93 56.62 2wxh s PHE 850 Cb 0.17 -1.10 1.07 0.00 -0.57 0.00 0.00 43.02 42.60 2wxh s PHE 850 CO 0.78 -0.15 2.05 -0.97 -0.10 0.00 0.00 175.22 176.83 2wxh h ASN 851 N 6.24 0.27 -0.03 1.36 -1.24 -1.98 -0.40 115.58 119.79 2wxh h ASN 851 Ca -0.33 -0.00 0.01 0.00 0.71 0.00 0.00 56.30 56.69 2wxh h ASN 851 Cb 1.17 -0.06 -0.00 0.00 0.73 0.00 0.00 38.32 40.16 2wxh h ASN 851 CO 0.48 0.18 0.09 0.07 -1.29 0.00 0.00 177.43 176.96 2wxh h LYS 852 N 0.31 0.00 -0.00 6.67 2.10 -1.97 -1.28 116.57 122.39 2wxh h LYS 852 Ca 0.16 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.81 2wxh h LYS 852 Cb 0.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.58 2wxh h LYS 852 CO -0.03 0.00 -0.28 -0.25 -2.00 0.00 0.00 179.45 176.88 2wxh n ASP 853 N -3.24 0.62 -0.18 7.07 8.00 -0.16 -4.39 116.55 124.27 2wxh n ASP 853 Ca -0.02 -0.46 -0.02 0.00 0.71 0.00 0.00 54.79 55.00 2wxh n ASP 853 Cb 0.17 0.06 0.08 0.00 -0.02 0.00 0.00 41.12 41.42 2wxh n ASP 853 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2wxh h ALA 854 N 3.36 0.69 -0.25 2.24 0.00 -1.34 0.74 119.26 124.71 2wxh h ALA 854 Ca 0.00 0.08 -0.11 0.00 0.00 0.00 0.00 54.91 54.88 2wxh h ALA 854 Cb 0.47 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 2wxh h ALA 854 CO 0.00 -0.21 -0.28 1.25 0.00 0.00 0.00 179.25 180.02 2wxh h LEU 855 N 0.37 0.67 -0.55 0.00 6.46 -1.79 -0.59 115.31 119.88 2wxh h LEU 855 Ca 0.27 -0.49 -0.03 0.00 -0.12 0.00 0.00 57.88 57.52 2wxh h LEU 855 Cb 0.32 -0.19 -0.02 0.00 -0.73 0.00 0.00 40.66 40.04 2wxh h LEU 855 CO -0.28 1.02 0.22 0.25 -0.62 0.00 0.00 178.44 179.03 2wxh h LEU 856 N 0.33 0.76 -0.85 2.25 5.85 -1.78 -0.95 115.31 120.92 2wxh h LEU 856 Ca 0.04 -0.17 0.01 0.00 0.84 0.00 0.00 57.88 58.60 2wxh h LEU 856 Cb 0.84 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 2wxh h LEU 856 CO 0.07 0.72 0.56 0.78 -0.34 0.00 0.00 178.44 180.23 2wxh h ASN 857 N 0.76 0.97 -0.23 1.25 4.21 -0.70 0.69 115.58 122.52 2wxh h ASN 857 Ca 0.19 -0.02 0.00 0.00 1.21 0.00 0.00 56.30 57.67 2wxh h ASN 857 Cb 0.19 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.15 2wxh h ASN 857 CO -0.02 0.69 0.15 -0.25 -1.29 0.00 0.00 177.43 176.72 2wxh h TRP 858 N 1.14 0.30 -0.43 1.19 7.01 -0.68 -1.18 115.95 123.30 2wxh h TRP 858 Ca 0.32 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.28 2wxh h TRP 858 Cb -0.11 -0.10 -0.02 0.00 -2.10 0.00 0.00 29.16 26.83 2wxh h TRP 858 CO -0.01 0.21 0.12 -0.07 -2.79 0.00 0.00 178.44 175.89 2wxh h LEU 859 N 0.30 0.58 -0.63 0.65 3.38 -0.66 -2.21 115.31 116.72 2wxh h LEU 859 Ca 0.08 -0.08 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2wxh h LEU 859 Cb -0.01 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.56 2wxh h LEU 859 CO -0.02 0.57 0.17 0.11 0.09 0.00 0.00 178.44 179.36 2wxh h LYS 860 N 0.62 1.00 -0.40 1.13 1.57 -0.49 -1.57 116.57 118.42 2wxh h LYS 860 Ca 0.14 -0.23 -0.07 0.00 -1.87 0.00 0.00 60.65 58.62 2wxh h LYS 860 Cb 0.21 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.37 2wxh h LYS 860 CO -0.01 0.90 -0.03 0.66 -0.57 0.00 0.00 179.45 180.40 2wxh h SER 861 N 0.92 0.63 1.29 0.86 4.64 -0.70 -2.49 113.55 118.71 2wxh h SER 861 Ca 0.20 -0.15 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 2wxh h SER 861 Cb 0.34 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.26 2wxh h SER 861 CO -0.00 0.72 -0.41 0.11 -0.87 0.00 0.00 176.83 176.39 2wxh h LYS 862 N 0.62 0.00 -2.04 4.77 1.79 -1.27 -3.40 116.57 117.03 2wxh h LYS 862 Ca 0.12 0.00 -0.56 0.00 -2.18 0.00 0.00 60.65 58.03 2wxh h LYS 862 Cb 0.43 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 30.68 2wxh h LYS 862 CO 0.02 0.00 -1.00 0.09 -1.08 0.00 0.00 179.45 177.48 2wxh n ASN 863 N -2.47 1.01 -4.79 0.86 3.02 -0.60 -4.98 115.26 107.31 2wxh n ASN 863 Ca 0.03 -2.88 -0.31 0.00 -0.03 0.00 0.00 54.58 51.39 2wxh n ASN 863 Cb 0.48 -0.64 0.07 0.00 -0.61 0.00 0.00 39.78 39.07 2wxh n ASN 863 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wxh s PRO 864 N -1.55 2.58 7.75 3.52 0.04 -1.12 -2.67 135.00 143.56 2wxh s PRO 864 Ca 0.36 1.10 0.00 0.00 0.04 0.00 0.00 61.00 62.50 2wxh s PRO 864 Cb 0.18 -1.94 0.00 0.00 0.04 0.00 0.00 34.50 32.78 2wxh s PRO 864 CO -0.09 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 175.98 2wxh n GLY 865 N -1.47 3.44 0.08 0.56 0.00 -1.26 -2.45 105.19 104.09 2wxh n GLY 865 Ca 0.09 -0.15 0.10 0.00 0.00 0.00 0.00 46.02 46.06 2wxh n GLY 865 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wxh n GLU 866 N 13.92 0.12 0.28 1.61 1.02 -1.26 -2.66 120.64 133.67 2wxh n GLU 866 Ca 0.00 0.33 0.17 0.00 -0.02 0.00 0.00 57.16 57.64 2wxh n GLU 866 Cb 0.00 -1.72 0.66 0.00 -0.02 0.00 0.00 31.44 30.36 2wxh n GLU 866 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxh h ALA 867 N 2.40 1.00 -0.27 0.62 0.00 -1.69 -3.32 119.26 118.00 2wxh h ALA 867 Ca 0.00 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2wxh h ALA 867 Cb 0.36 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 2wxh h ALA 867 CO 0.00 0.00 0.16 1.25 0.00 0.00 0.00 179.25 180.66 2wxh h LEU 868 N 0.00 0.34 -0.74 0.00 5.85 -1.28 -2.88 115.31 116.60 2wxh h LEU 868 Ca -0.00 -0.07 0.15 0.00 0.84 0.00 0.00 57.88 58.79 2wxh h LEU 868 Cb 0.54 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.38 2wxh h LEU 868 CO 0.00 0.31 0.25 0.44 -0.34 0.00 0.00 178.44 179.10 2wxh h ASP 869 N 0.34 0.18 -0.39 1.25 3.32 -1.82 -0.70 116.42 118.60 2wxh h ASP 869 Ca 0.10 0.12 -0.12 0.00 0.02 0.00 0.00 57.03 57.14 2wxh h ASP 869 Cb 0.04 0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2wxh h ASP 869 CO -0.02 0.05 -0.22 -0.09 -1.72 0.00 0.00 179.24 177.24 2wxh h ARG 870 N 0.37 0.89 -0.43 3.56 9.65 -1.73 -1.92 114.38 124.76 2wxh h ARG 870 Ca 0.41 -0.37 -0.06 0.00 -1.10 0.00 0.00 59.98 58.86 2wxh h ARG 870 Cb 0.65 -0.03 -0.02 0.00 -1.39 0.00 0.00 29.97 29.18 2wxh h ARG 870 CO -0.44 1.02 0.03 0.00 2.80 0.00 0.00 179.97 183.38 2wxh h ALA 871 N 0.98 0.58 -0.83 2.80 0.00 -1.13 0.67 119.26 122.32 2wxh h ALA 871 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2wxh h ALA 871 Cb 0.77 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2wxh h ALA 871 CO 0.06 0.34 0.54 0.82 0.00 0.00 0.00 179.25 181.01 2wxh h ILE 872 N 0.60 1.22 -0.51 0.00 2.04 -1.08 -0.05 117.51 119.72 2wxh h ILE 872 Ca 0.13 -0.42 -0.08 0.00 1.00 0.00 0.00 64.86 65.48 2wxh h ILE 872 Cb 0.45 0.01 -0.02 0.00 -0.74 0.00 0.00 36.82 36.52 2wxh h ILE 872 CO 0.02 0.22 -0.00 -0.08 0.00 0.00 0.00 178.15 178.30 2wxh h GLU 873 N 1.13 0.91 -0.75 2.37 4.57 -0.66 -0.93 114.58 121.22 2wxh h GLU 873 Ca 0.30 -0.29 -0.03 0.00 -1.18 0.00 0.00 59.36 58.16 2wxh h GLU 873 Cb -0.11 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.37 2wxh h GLU 873 CO -0.06 0.94 0.35 0.93 -1.18 0.00 0.00 179.01 179.98 2wxh h GLU 874 N 0.78 1.09 -0.37 1.92 4.39 -0.42 -1.49 114.58 120.48 2wxh h GLU 874 Ca 0.15 -0.17 0.01 0.00 0.34 0.00 0.00 59.36 59.69 2wxh h GLU 874 Cb 0.53 -0.19 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 2wxh h GLU 874 CO 0.03 0.86 0.22 0.35 -1.16 0.00 0.00 179.01 179.31 2wxh h PHE 875 N 1.06 0.42 -0.06 4.33 3.57 -0.82 -1.76 116.94 123.69 2wxh h PHE 875 Ca 0.26 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.77 2wxh h PHE 875 Cb 0.14 -0.14 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 2wxh h PHE 875 CO 0.01 0.25 0.02 1.15 -2.23 0.00 0.00 178.31 177.51 2wxh h THR 876 N 0.45 1.13 0.20 4.41 2.02 -0.77 0.12 112.91 120.48 2wxh h THR 876 Ca 0.14 -0.39 -0.01 0.00 0.77 0.00 0.00 66.41 66.92 2wxh h THR 876 Cb -0.01 1.29 0.00 0.00 -1.74 0.00 0.00 68.15 67.69 2wxh h THR 876 CO -0.06 0.11 -0.10 -0.07 0.37 0.00 0.00 175.52 175.78 2wxh h LEU 877 N -0.06 -0.23 -0.57 2.58 3.38 -1.29 -1.52 115.31 117.61 2wxh h LEU 877 Ca 0.02 -0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 2wxh h LEU 877 Cb 0.16 0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2wxh h LEU 877 CO -0.00 -0.15 0.10 0.77 0.09 0.00 0.00 178.44 179.25 2wxh h SER 878 N -0.28 0.89 -0.52 -0.43 4.64 -0.35 -1.12 113.55 116.38 2wxh h SER 878 Ca -0.03 -0.25 0.09 0.00 -0.47 0.00 0.00 61.79 61.13 2wxh h SER 878 Cb 0.22 -0.24 -0.08 0.00 -0.31 0.00 0.00 62.40 61.99 2wxh h SER 878 CO 0.04 0.92 0.08 0.00 -0.87 0.00 0.00 176.83 177.00 2wxh h ALA 880 N 1.42 0.39 -0.18 0.00 0.00 -0.85 0.13 119.26 120.17 2wxh h ALA 880 Ca 0.26 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.17 2wxh h ALA 880 Cb 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.00 2wxh h ALA 880 CO -0.36 -0.11 -0.05 0.78 0.00 0.00 0.00 179.25 179.50 2wxh h GLY 881 N 0.40 0.12 1.59 0.00 0.00 -0.67 -1.56 103.07 102.96 2wxh h GLY 881 Ca 0.11 0.07 -0.18 0.00 0.00 0.00 0.00 47.33 47.33 2wxh h GLY 881 CO -0.02 -0.08 -0.71 -0.97 0.00 0.00 0.00 176.54 174.76 2wxh h TYR 882 N -0.01 0.54 -0.58 5.60 0.05 -0.69 0.57 116.97 122.45 2wxh h TYR 882 Ca 0.09 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.64 2wxh h TYR 882 Cb 0.15 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 37.78 2wxh h TYR 882 CO -0.21 0.98 0.35 0.00 -1.05 0.00 0.00 178.16 178.23 2wxh h VAL 884 N 0.78 1.31 -0.35 0.00 2.07 -1.15 -2.34 116.25 116.56 2wxh h VAL 884 Ca 0.21 -1.04 0.04 0.00 0.82 0.00 0.00 66.70 66.73 2wxh h VAL 884 Cb -0.03 1.75 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2wxh h VAL 884 CO -0.04 0.30 0.14 0.00 0.02 0.00 0.00 177.57 177.99 2wxh h ALA 885 N 0.67 0.42 -0.01 1.67 0.00 -0.78 -0.86 119.26 120.36 2wxh h ALA 885 Ca 0.03 0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 2wxh h ALA 885 Cb 0.49 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 2wxh h ALA 885 CO 0.02 -0.24 -0.65 1.79 0.00 0.00 0.00 179.25 180.16 2wxh h THR 886 N 0.30 1.45 0.17 0.00 1.35 -1.18 -1.68 112.91 113.32 2wxh h THR 886 Ca 0.16 -2.18 -0.01 0.00 -0.55 0.00 0.00 66.41 63.83 2wxh h THR 886 Cb 0.11 2.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2wxh h THR 886 CO -0.14 0.63 -0.08 0.22 -0.25 0.00 0.00 175.52 175.89 2wxh h TYR 887 N 0.04 -0.21 -0.75 4.73 3.20 -1.09 0.19 116.97 123.08 2wxh h TYR 887 Ca -0.01 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2wxh h TYR 887 Cb 1.15 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 39.45 2wxh h TYR 887 CO 0.01 0.04 0.47 0.28 -1.64 0.00 0.00 178.16 177.32 2wxh h VAL 888 N -0.45 1.21 -0.00 1.81 2.07 -1.08 -2.54 116.25 117.27 2wxh h VAL 888 Ca -0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2wxh h VAL 888 Cb 0.35 0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.25 2wxh h VAL 888 CO 0.04 0.21 -0.07 0.18 0.02 0.00 0.00 177.57 177.94 2wxh n LEU 889 N -4.53 0.38 -3.27 2.57 4.77 -0.64 -4.72 117.00 111.56 2wxh n LEU 889 Ca 0.07 0.03 -0.20 0.00 -0.03 0.00 0.00 56.01 55.89 2wxh n LEU 889 Cb 0.04 -0.17 0.08 0.00 -2.33 0.00 0.00 43.42 41.03 2wxh n LEU 889 CO 0.37 0.07 0.19 0.61 -1.33 0.00 0.00 177.39 177.29 2wxh n GLY 890 N 1.24 -0.37 3.49 -0.72 0.00 -0.78 0.10 105.19 108.16 2wxh n GLY 890 Ca 0.16 0.13 -0.43 0.00 0.00 0.00 0.00 46.02 45.88 2wxh n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxh s ILE 891 N -3.30 4.57 0.12 -0.61 1.01 -0.02 -2.07 121.20 120.90 2wxh s ILE 891 Ca 0.37 -0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.99 2wxh s ILE 891 Cb -0.16 -4.46 0.02 0.00 0.01 0.00 0.00 42.46 37.87 2wxh s ILE 891 CO 0.66 -1.02 0.17 0.61 0.00 0.00 0.00 174.94 175.36 2wxh n GLY 892 N 5.15 1.51 3.87 6.18 0.00 -1.26 -4.62 105.19 116.02 2wxh n GLY 892 Ca -0.02 -2.08 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 2wxh n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxh n ASP 893 N -2.91 -3.87 -4.75 1.61 2.03 -1.26 -4.87 116.55 102.53 2wxh n ASP 893 Ca 0.03 -0.80 -0.40 0.00 0.52 0.00 0.00 54.79 54.15 2wxh n ASP 893 Cb 0.11 -3.89 -0.05 0.00 -0.72 0.00 0.00 41.12 36.58 2wxh n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxh s ARG 894 N -6.49 4.45 0.36 -0.67 1.81 -1.26 -4.97 118.95 112.18 2wxh s ARG 894 Ca 0.50 0.97 -0.10 0.00 -1.72 0.00 0.00 55.73 55.39 2wxh s ARG 894 Cb -0.25 -3.37 0.04 0.00 -0.45 0.00 0.00 34.95 30.92 2wxh s ARG 894 CO 0.83 0.27 0.64 -2.39 -0.68 0.00 0.00 175.30 173.97 2wxh n HIS 895 N 2.91 -1.97 0.34 -0.53 1.44 -1.26 -5.05 115.22 111.09 2wxh n HIS 895 Ca -0.03 -1.90 0.15 0.00 -2.01 0.00 0.00 57.72 53.92 2wxh n HIS 895 Cb 0.50 0.75 0.52 0.00 0.12 0.00 0.00 29.99 31.88 2wxh n HIS 895 CO 0.00 0.00 0.00 0.66 -2.81 0.00 0.00 176.34 174.19 2wxh h SER 896 N 1.85 0.00 1.46 4.39 4.64 -1.95 -1.91 113.55 122.03 2wxh h SER 896 Ca -0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 2wxh h SER 896 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2wxh h SER 896 CO 0.38 0.00 -0.12 0.44 -0.87 0.00 0.00 176.83 176.66 2wxh h ASP 897 N 0.00 0.00 -0.07 4.97 5.19 -1.96 0.52 116.42 125.07 2wxh h ASP 897 Ca 0.00 -0.03 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 2wxh h ASP 897 Cb 0.58 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.09 2wxh h ASP 897 CO 0.00 0.02 0.00 -0.46 -3.12 0.00 0.00 179.24 175.68 2wxh n ASN 898 N -2.39 2.55 -4.33 6.45 2.04 -0.74 -4.95 115.26 113.90 2wxh n ASN 898 Ca 0.05 -2.72 -0.32 0.00 -0.44 0.00 0.00 54.58 51.15 2wxh n ASN 898 Cb 0.45 -0.32 -0.15 0.00 -2.53 0.00 0.00 39.78 37.22 2wxh n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxh s ILE 899 N -2.25 2.46 0.27 1.53 1.01 -1.10 -0.56 121.20 122.57 2wxh s ILE 899 Ca 0.25 -0.91 0.09 0.00 0.00 0.00 0.00 60.65 60.08 2wxh s ILE 899 Cb 0.21 -1.95 -0.05 0.00 0.01 0.00 0.00 42.46 40.68 2wxh s ILE 899 CO 0.04 0.56 -0.12 -0.04 0.00 0.00 0.00 174.94 175.38 2wxh s MET 900 N -0.11 1.58 -0.01 2.79 -1.94 0.38 -1.58 119.30 120.40 2wxh s MET 900 Ca -0.04 -1.76 0.01 0.00 -1.71 0.00 0.00 55.69 52.19 2wxh s MET 900 Cb -0.14 -1.40 0.00 0.00 2.01 0.00 0.00 34.83 35.30 2wxh s MET 900 CO 0.04 0.16 -0.04 0.96 -0.01 0.00 0.00 175.02 176.13 2wxh s ILE 901 N -2.81 0.35 0.49 2.53 -5.25 -0.24 -0.88 121.20 115.40 2wxh s ILE 901 Ca 0.28 -0.16 -0.08 0.00 -0.99 0.00 0.00 60.65 59.71 2wxh s ILE 901 Cb 0.00 -0.32 -0.05 0.00 2.95 0.00 0.00 42.46 45.05 2wxh s ILE 901 CO 0.12 0.12 0.84 -0.13 -1.79 0.00 0.00 174.94 174.10 2wxh s ARG 902 N 0.09 3.62 0.61 0.37 0.52 0.85 -1.61 118.95 123.40 2wxh s ARG 902 Ca -0.01 0.40 0.38 0.00 -0.52 0.00 0.00 55.73 55.99 2wxh s ARG 902 Cb -0.04 -2.31 1.93 0.00 0.52 0.00 0.00 34.95 35.05 2wxh s ARG 902 CO -0.00 -0.24 2.20 0.93 0.02 0.00 0.00 175.30 178.20 2wxh h GLU 903 N 0.38 0.00 0.00 3.54 5.08 -1.68 0.73 114.58 122.63 2wxh h GLU 903 Ca -0.46 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 2wxh h GLU 903 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2wxh h GLU 903 CO 0.62 0.02 0.00 0.66 -1.00 0.00 0.00 179.01 179.31 2wxh h SER 904 N 0.00 0.00 0.00 1.42 4.64 -1.94 -3.44 113.55 114.24 2wxh h SER 904 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wxh h SER 904 Cb 0.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.30 2wxh h SER 904 CO 0.00 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.57 2wxh n GLY 905 N -0.15 1.29 3.70 -0.77 0.00 0.25 -4.24 105.19 105.27 2wxh n GLY 905 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 2wxh n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxh s GLN 906 N -0.75 4.30 0.19 1.61 -0.21 -1.25 -2.74 119.66 120.81 2wxh s GLN 906 Ca 0.00 2.00 -0.16 0.00 0.02 0.00 0.00 55.36 57.22 2wxh s GLN 906 Cb 0.00 -3.45 -0.08 0.00 1.00 0.00 0.00 33.01 30.48 2wxh s GLN 906 CO 0.00 -0.51 0.63 -1.17 -2.12 0.00 0.00 175.29 172.12 2wxh s LEU 907 N 1.88 4.32 0.25 2.90 0.20 -1.26 -0.11 118.68 126.86 2wxh s LEU 907 Ca 0.64 1.22 -0.14 0.00 0.69 0.00 0.00 54.13 56.54 2wxh s LEU 907 Cb -0.33 -3.45 -0.00 0.00 -0.43 0.00 0.00 46.19 41.98 2wxh s LEU 907 CO 0.28 0.05 0.50 0.72 -0.29 0.00 0.00 176.35 177.62 2wxh s PHE 908 N -1.52 0.30 0.07 5.38 -0.12 -0.06 -4.74 117.98 117.29 2wxh s PHE 908 Ca 0.41 -0.67 0.06 0.00 -0.05 0.00 0.00 56.93 56.67 2wxh s PHE 908 Cb -0.15 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.45 2wxh s PHE 908 CO 0.20 -1.02 -0.07 -1.01 -0.05 0.00 0.00 175.22 173.27 2wxh s HIS 909 N -4.01 2.83 0.35 3.49 3.76 -1.26 -0.47 115.29 119.97 2wxh s HIS 909 Ca 0.21 -0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.06 2wxh s HIS 909 Cb -0.01 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 32.12 2wxh s HIS 909 CO 0.09 0.42 0.07 0.96 -0.85 0.00 0.00 174.74 175.42 2wxh s ILE 910 N -1.17 1.09 -1.08 0.60 -4.36 0.27 -4.94 121.20 111.61 2wxh s ILE 910 Ca 0.21 -2.00 -0.19 0.00 -0.26 0.00 0.00 60.65 58.41 2wxh s ILE 910 Cb -0.11 -2.69 -0.00 0.00 1.25 0.00 0.00 42.46 40.90 2wxh s ILE 910 CO 0.13 0.00 0.76 0.47 0.24 0.00 0.00 174.94 176.54 2wxh n ASP 911 N -0.82 -5.34 -4.81 4.36 8.00 -1.26 -4.80 116.55 111.88 2wxh n ASP 911 Ca -0.04 -0.98 -0.29 0.00 0.71 0.00 0.00 54.79 54.20 2wxh n ASP 911 Cb 0.66 -3.14 0.12 0.00 -0.02 0.00 0.00 41.12 38.75 2wxh n ASP 911 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wxh s PHE 912 N -3.38 2.62 0.00 1.24 0.08 -1.26 -4.90 117.98 112.37 2wxh s PHE 912 Ca 0.40 0.87 0.00 0.00 0.12 0.00 0.00 56.93 58.32 2wxh s PHE 912 Cb -0.15 -3.37 0.00 0.00 -0.57 0.00 0.00 43.02 38.93 2wxh s PHE 912 CO 0.87 -2.21 0.00 0.41 -0.10 0.00 0.00 175.22 174.19 2wxh n GLY 913 N -2.36 0.00 2.97 4.36 0.00 -1.26 -4.65 105.19 104.26 2wxh n GLY 913 Ca 0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.86 2wxh n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxh s HIS 914 N 0.00 1.20 0.31 1.61 3.76 -1.26 -5.02 115.29 115.89 2wxh s HIS 914 Ca 0.00 -0.42 -0.16 0.00 -0.15 0.00 0.00 55.06 54.33 2wxh s HIS 914 Cb 0.00 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.79 2wxh s HIS 914 CO 0.00 -0.25 0.67 -0.59 -0.85 0.00 0.00 174.74 173.72 2wxh s PHE 915 N 0.78 0.12 -1.20 1.40 -0.00 -1.26 -4.15 117.98 113.67 2wxh s PHE 915 Ca -0.13 -0.61 -0.09 0.00 -0.00 0.00 0.00 56.93 56.10 2wxh s PHE 915 Cb -0.15 0.58 0.07 0.00 -0.00 0.00 0.00 43.02 43.52 2wxh s PHE 915 CO 0.02 -1.29 0.41 1.28 -0.00 0.00 0.00 175.22 175.65 2wxh n LEU 916 N -0.48 -1.35 0.00 -1.99 4.77 0.29 -1.78 117.00 116.46 2wxh n LEU 916 Ca -0.04 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.62 2wxh n LEU 916 Cb 0.60 -2.00 0.00 0.00 -2.33 0.00 0.00 43.42 39.69 2wxh n LEU 916 CO 0.21 0.11 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 2wxh n GLY 917 N -1.08 1.27 2.99 -0.72 0.00 -0.88 -4.92 105.19 101.85 2wxh n GLY 917 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 2wxh n GLY 917 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wxh n ASN 918 N 0.00 4.16 0.05 1.61 5.03 -0.74 -4.62 115.26 120.76 2wxh n ASN 918 Ca 0.00 -2.86 -0.03 0.00 0.87 0.00 0.00 54.58 52.56 2wxh n ASN 918 Cb 0.00 -1.68 -0.02 0.00 -1.02 0.00 0.00 39.78 37.07 2wxh n ASN 918 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2wxh h PHE 919 N 6.52 -0.20 -1.17 3.10 -0.00 -1.91 -3.37 116.94 119.90 2wxh h PHE 919 Ca 0.53 -0.00 -0.57 0.00 -0.00 0.00 0.00 57.97 57.93 2wxh h PHE 919 Cb 0.71 0.07 -0.02 0.00 -0.00 0.00 0.00 35.95 36.71 2wxh h PHE 919 CO 1.45 -0.12 1.56 -2.13 -0.00 0.00 0.00 178.31 179.06 2wxh n ARG 929 N -4.35 0.99 -2.79 6.09 3.00 -1.26 -5.09 116.66 113.24 2wxh n ARG 929 Ca -0.03 0.18 -0.41 0.00 -0.00 0.00 0.00 57.85 57.59 2wxh n ARG 929 Cb 0.08 -2.71 -0.04 0.00 0.00 0.00 0.00 32.46 29.80 2wxh n ARG 929 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2wxh s VAL 930 N 9.30 4.77 0.70 5.15 -7.23 -1.26 -5.05 120.40 126.78 2wxh s VAL 930 Ca 1.09 1.93 -0.11 0.00 -1.81 0.00 0.00 61.98 63.08 2wxh s VAL 930 Cb -0.65 -4.26 0.01 0.00 0.56 0.00 0.00 36.38 32.05 2wxh s VAL 930 CO 0.40 0.24 1.06 -2.16 -0.31 0.00 0.00 175.10 174.34 2wxh s PRO 931 N 0.55 2.91 0.38 4.82 0.04 -1.26 -4.97 135.00 137.47 2wxh s PRO 931 Ca 0.47 0.82 -0.28 0.00 0.04 0.00 0.00 61.00 62.05 2wxh s PRO 931 Cb -0.21 -2.00 -0.11 0.00 0.04 0.00 0.00 34.50 32.22 2wxh s PRO 931 CO 0.27 -1.08 1.49 0.34 0.04 0.00 0.00 177.00 178.05 2wxh n PHE 932 N -3.10 2.99 -4.46 0.56 7.35 -1.26 -4.88 117.46 114.65 2wxh n PHE 932 Ca 0.07 0.45 -0.33 0.00 -0.76 0.00 0.00 57.45 56.88 2wxh n PHE 932 Cb 0.54 -2.53 -0.16 0.00 0.35 0.00 0.00 39.48 37.68 2wxh n PHE 932 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 2wxh s ILE 933 N -1.12 2.19 -0.18 -2.13 -1.09 -1.26 -4.57 121.20 113.04 2wxh s ILE 933 Ca 0.53 -0.92 -0.01 0.00 -2.23 0.00 0.00 60.65 58.02 2wxh s ILE 933 Cb -0.48 -1.90 -0.00 0.00 -1.58 0.00 0.00 42.46 38.50 2wxh s ILE 933 CO 0.64 0.54 -0.11 -0.76 -1.23 0.00 0.00 174.94 174.01 2wxh s LEU 934 N 0.98 2.64 -0.16 2.97 1.43 -1.26 -4.91 118.68 120.37 2wxh s LEU 934 Ca -0.03 -0.43 -0.11 0.00 -1.03 0.00 0.00 54.13 52.53 2wxh s LEU 934 Cb -0.15 -1.63 -0.05 0.00 0.03 0.00 0.00 46.19 44.40 2wxh s LEU 934 CO -0.05 0.05 0.22 -0.89 0.23 0.00 0.00 176.35 175.91 2wxh s THR 935 N 1.02 5.36 0.17 5.49 2.01 -1.26 -4.25 115.64 124.18 2wxh s THR 935 Ca -0.01 0.39 -0.14 0.00 0.31 0.00 0.00 61.69 62.24 2wxh s THR 935 Cb -0.15 -3.54 0.06 0.00 0.01 0.00 0.00 72.50 68.88 2wxh s THR 935 CO -0.02 0.46 1.75 0.22 -0.69 0.00 0.00 174.62 176.34 2wxh h TYR 936 N 6.24 0.27 0.00 4.92 3.20 -1.97 0.30 116.97 129.93 2wxh h TYR 936 Ca -0.44 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.44 2wxh h TYR 936 Cb 1.17 -0.06 -0.00 0.00 1.54 0.00 0.00 36.73 39.39 2wxh h TYR 936 CO 0.63 0.10 -0.07 -0.44 -1.64 0.00 0.00 178.16 176.74 2wxh h ASP 937 N 0.32 0.00 0.08 -2.11 5.19 -1.94 -0.84 116.42 117.11 2wxh h ASP 937 Ca 0.20 0.00 -0.24 0.00 -0.62 0.00 0.00 57.03 56.38 2wxh h ASP 937 Cb 0.20 0.00 0.02 0.00 0.18 0.00 0.00 39.33 39.73 2wxh h ASP 937 CO -0.21 0.07 -0.97 -0.26 -3.12 0.00 0.00 179.24 174.75 2wxh h PHE 938 N 0.00 0.83 -1.00 4.55 0.04 -1.43 -2.94 116.94 116.99 2wxh h PHE 938 Ca -0.00 -0.51 0.08 0.00 2.80 0.00 0.00 57.97 60.34 2wxh h PHE 938 Cb 0.13 -0.07 -0.07 0.00 2.20 0.00 0.00 35.95 38.14 2wxh h PHE 938 CO 0.00 1.35 0.64 0.28 -0.60 0.00 0.00 178.31 179.98 2wxh h VAL 939 N 0.07 1.04 -0.67 -0.55 2.07 -0.78 -1.62 116.25 115.81 2wxh h VAL 939 Ca -0.14 -0.39 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 2wxh h VAL 939 Cb 1.68 -0.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.24 2wxh h VAL 939 CO 0.19 0.21 0.40 -0.74 0.02 0.00 0.00 177.57 177.64 2wxh h HIS 940 N 1.13 0.89 -0.25 1.57 -0.00 -1.15 0.72 115.15 118.06 2wxh h HIS 940 Ca 0.45 -0.01 -0.04 0.00 -0.00 0.00 0.00 60.37 60.77 2wxh h HIS 940 Cb 0.25 -0.29 -0.01 0.00 -0.00 0.00 0.00 27.41 27.36 2wxh h HIS 940 CO -0.00 0.61 -0.02 0.28 -0.00 0.00 0.00 177.93 178.80 2wxh h VAL 941 N 0.91 1.27 -0.96 5.26 2.07 -1.29 0.00 116.25 123.51 2wxh h VAL 941 Ca 0.24 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.84 2wxh h VAL 941 Cb -0.01 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.11 2wxh h VAL 941 CO -0.04 0.30 0.63 0.40 0.02 0.00 0.00 177.57 178.88 2wxh h ILE 942 N 0.21 1.13 -0.06 4.57 2.04 -0.82 0.25 117.51 124.83 2wxh h ILE 942 Ca 0.07 -0.40 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2wxh h ILE 942 Cb 0.45 -0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.39 2wxh h ILE 942 CO 0.02 0.21 0.00 0.00 0.00 0.00 0.00 178.15 178.38 2wxh n GLN 943 N -4.46 1.15 -2.49 2.37 6.02 0.20 -4.73 117.38 115.44 2wxh n GLN 943 Ca 0.14 -0.22 -0.19 0.00 -0.01 0.00 0.00 57.00 56.72 2wxh n GLN 943 Cb 0.14 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.31 2wxh n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxh n GLN 944 N -0.30 -2.17 -1.05 -1.09 6.02 0.08 -1.57 117.38 117.30 2wxh n GLN 944 Ca 0.02 0.86 -0.02 0.00 -0.01 0.00 0.00 57.00 57.86 2wxh n GLN 944 Cb 0.07 -5.41 -0.01 0.00 1.02 0.00 0.00 30.24 25.92 2wxh n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxh n GLY 945 N -1.12 0.52 3.86 1.08 0.00 -0.04 -5.03 105.19 104.46 2wxh n GLY 945 Ca -0.19 -0.28 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 2wxh n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxh s LYS 946 N -1.18 3.37 0.16 1.61 1.02 -0.61 -5.01 119.74 119.10 2wxh s LYS 946 Ca 0.00 -0.26 -0.15 0.00 0.02 0.00 0.00 55.97 55.58 2wxh s LYS 946 Cb 0.00 -3.09 0.07 0.00 -0.52 0.00 0.00 37.83 34.29 2wxh s LYS 946 CO 0.00 0.72 1.77 1.15 -0.92 0.00 0.00 175.35 178.07 2wxh h THR 947 N 3.47 0.95 -3.32 2.17 2.02 -1.96 -3.41 112.91 112.84 2wxh h THR 947 Ca -0.52 -0.13 -0.65 0.00 0.77 0.00 0.00 66.41 65.88 2wxh h THR 947 Cb 1.21 0.54 -0.33 0.00 -1.74 0.00 0.00 68.15 67.82 2wxh h THR 947 CO 0.62 0.07 -0.87 0.20 0.37 0.00 0.00 175.52 175.91 2wxh s ASN 948 N -5.43 2.89 -0.48 4.18 0.01 -1.26 -5.03 114.94 109.83 2wxh s ASN 948 Ca -0.13 -0.53 0.05 0.00 -0.71 0.00 0.00 52.86 51.54 2wxh s ASN 948 Cb 0.12 -1.33 0.24 0.00 0.41 0.00 0.00 41.25 40.69 2wxh s ASN 948 CO 0.72 0.12 0.90 -3.20 -1.51 0.00 0.00 177.10 174.13 2wxh n ASN 949 N 3.71 -2.82 0.22 -1.22 2.85 -1.26 -5.01 115.26 111.73 2wxh n ASN 949 Ca -0.20 -3.09 0.08 0.00 -0.11 0.00 0.00 54.58 51.27 2wxh n ASN 949 Cb 0.52 1.71 0.53 0.00 1.24 0.00 0.00 39.78 43.78 2wxh n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxh h SER 950 N 4.05 0.00 -0.04 1.20 4.64 -1.98 -1.25 113.55 120.17 2wxh h SER 950 Ca -0.13 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.19 2wxh h SER 950 Cb 1.06 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.15 2wxh h SER 950 CO 0.24 0.24 0.02 -0.08 -0.87 0.00 0.00 176.83 176.37 2wxh h GLU 951 N 0.00 0.06 -0.31 4.77 4.81 -1.99 0.13 114.58 122.05 2wxh h GLU 951 Ca -0.00 -0.01 -0.15 0.00 -0.13 0.00 0.00 59.36 59.07 2wxh h GLU 951 Cb 0.57 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.94 2wxh h GLU 951 CO 0.03 0.18 -0.39 0.87 -0.73 0.00 0.00 179.01 178.97 2wxh h LYS 952 N -0.08 0.81 -0.53 1.92 1.79 -1.83 -2.91 116.57 115.75 2wxh h LYS 952 Ca 0.01 -0.46 -0.11 0.00 -2.18 0.00 0.00 60.65 57.92 2wxh h LYS 952 Cb 0.14 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.81 2wxh h LYS 952 CO -0.00 1.09 -0.09 0.35 -1.08 0.00 0.00 179.45 179.72 2wxh h PHE 953 N 0.58 1.11 0.00 -1.35 3.57 -1.09 -2.13 116.94 117.63 2wxh h PHE 953 Ca 0.04 -0.23 -0.09 0.00 3.53 0.00 0.00 57.97 61.22 2wxh h PHE 953 Cb 0.98 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.43 2wxh h PHE 953 CO 0.07 1.03 -0.45 0.93 -2.23 0.00 0.00 178.31 177.67 2wxh h GLU 954 N 0.87 0.00 -0.38 1.11 4.39 -0.81 -0.94 114.58 118.81 2wxh h GLU 954 Ca 0.14 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2wxh h GLU 954 Cb 0.65 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.28 2wxh h GLU 954 CO 0.04 0.45 0.18 0.00 -1.16 0.00 0.00 179.01 178.52 2wxh h ARG 955 N 0.00 0.55 -0.43 2.33 3.08 -1.28 -0.68 114.38 117.95 2wxh h ARG 955 Ca -0.00 -0.08 0.05 0.00 0.07 0.00 0.00 59.98 60.01 2wxh h ARG 955 Cb 1.01 -0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.91 2wxh h ARG 955 CO 0.06 0.50 0.17 0.35 -1.07 0.00 0.00 179.97 179.98 2wxh h PHE 956 N 0.47 0.31 -0.83 3.04 3.57 -1.01 -1.04 116.94 121.45 2wxh h PHE 956 Ca 0.13 0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.70 2wxh h PHE 956 Cb 0.13 -0.08 -0.06 0.00 2.79 0.00 0.00 35.95 38.74 2wxh h PHE 956 CO -0.01 0.13 0.52 -0.09 -2.23 0.00 0.00 178.31 176.63 2wxh h ARG 957 N 0.35 0.94 -0.62 1.11 2.43 -0.96 -2.05 114.38 115.59 2wxh h ARG 957 Ca 0.20 -0.06 0.05 0.00 -0.81 0.00 0.00 59.98 59.36 2wxh h ARG 957 Cb 0.16 -0.21 -0.05 0.00 -0.42 0.00 0.00 29.97 29.45 2wxh h ARG 957 CO -0.18 0.62 0.34 0.78 -1.51 0.00 0.00 179.97 180.02 2wxh h GLY 958 N 0.97 0.89 0.99 2.80 0.00 -0.43 -0.86 103.07 107.42 2wxh h GLY 958 Ca 0.35 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.45 2wxh h GLY 958 CO -0.15 0.15 0.23 -0.97 0.00 0.00 0.00 176.54 175.80 2wxh h TYR 959 N 0.64 0.43 -0.42 5.60 0.05 -0.55 -0.43 116.97 122.30 2wxh h TYR 959 Ca 0.27 0.01 0.05 0.00 0.05 0.00 0.00 58.73 59.11 2wxh h TYR 959 Cb 0.15 -0.15 -0.04 0.00 1.01 0.00 0.00 36.73 37.70 2wxh h TYR 959 CO -0.08 0.27 0.17 0.00 -1.05 0.00 0.00 178.16 177.46 2wxh h GLU 961 N 0.34 0.53 -0.38 0.00 5.08 -0.85 -0.52 114.58 118.78 2wxh h GLU 961 Ca 0.19 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.46 2wxh h GLU 961 Cb 0.15 -0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.29 2wxh h GLU 961 CO -0.17 0.65 0.04 0.00 -1.00 0.00 0.00 179.01 178.53 2wxh h ARG 962 N 0.33 0.15 -0.50 2.33 3.08 -0.95 -0.14 114.38 118.68 2wxh h ARG 962 Ca 0.09 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.13 2wxh h ARG 962 Cb 0.40 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 2wxh h ARG 962 CO 0.01 0.10 0.29 0.00 -1.07 0.00 0.00 179.97 179.30 2wxh h ALA 963 N 1.31 0.63 -0.45 0.04 0.00 -1.00 -1.74 119.26 118.06 2wxh h ALA 963 Ca 0.18 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.00 2wxh h ALA 963 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 2wxh h ALA 963 CO -0.27 0.13 0.18 -0.92 0.00 0.00 0.00 179.25 178.36 2wxh h TYR 964 N 0.66 0.69 -0.37 0.00 3.20 -0.80 -2.47 116.97 117.89 2wxh h TYR 964 Ca 0.18 -0.05 -0.11 0.00 3.14 0.00 0.00 58.73 61.89 2wxh h TYR 964 Cb 0.00 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.05 2wxh h TYR 964 CO -0.03 0.59 -0.21 1.79 -1.64 0.00 0.00 178.16 178.67 2wxh h THR 965 N 0.58 1.27 -0.43 1.81 1.35 -0.83 -2.32 112.91 114.34 2wxh h THR 965 Ca 0.15 -1.29 -0.01 0.00 -0.55 0.00 0.00 66.41 64.71 2wxh h THR 965 Cb 0.20 1.21 -0.02 0.00 -1.73 0.00 0.00 68.15 67.81 2wxh h THR 965 CO -0.01 0.43 0.22 0.40 -0.25 0.00 0.00 175.52 176.31 2wxh h ILE 966 N 0.62 1.17 -0.49 6.82 2.04 -1.25 -2.83 117.51 123.60 2wxh h ILE 966 Ca 0.09 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.50 2wxh h ILE 966 Cb 0.69 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.42 2wxh h ILE 966 CO 0.05 0.18 0.32 -0.07 0.00 0.00 0.00 178.15 178.63 2wxh h LEU 967 N 0.56 0.56 -1.02 1.44 3.38 -1.22 -2.39 115.31 116.61 2wxh h LEU 967 Ca 0.15 -0.01 0.18 0.00 0.09 0.00 0.00 57.88 58.29 2wxh h LEU 967 Cb 0.09 -0.14 -0.10 0.00 0.09 0.00 0.00 40.66 40.59 2wxh h LEU 967 CO -0.02 0.40 0.62 0.03 0.09 0.00 0.00 178.44 179.56 2wxh h ARG 968 N 0.66 0.76 0.00 1.13 3.08 -1.34 0.37 114.38 119.04 2wxh h ARG 968 Ca 0.18 -0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 2wxh h ARG 968 Cb -0.07 -0.17 -0.00 0.00 0.08 0.00 0.00 29.97 29.80 2wxh h ARG 968 CO -0.04 0.50 -0.09 0.00 -1.07 0.00 0.00 179.97 179.27 2wxh h ARG 969 N 0.79 0.00 -0.39 0.04 3.08 -1.18 -1.81 114.38 114.91 2wxh h ARG 969 Ca 0.57 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.58 2wxh h ARG 969 Cb 0.86 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.88 2wxh h ARG 969 CO -0.36 0.09 0.02 0.72 -1.07 0.00 0.00 179.97 179.37 2wxh n HIS 970 N -3.49 1.37 -0.23 3.04 8.25 0.04 -4.73 115.22 119.47 2wxh n HIS 970 Ca -0.02 -0.93 0.03 0.00 -0.26 0.00 0.00 57.72 56.54 2wxh n HIS 970 Cb 0.23 -0.41 0.14 0.00 1.12 0.00 0.00 29.99 31.07 2wxh n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxh h GLY 971 N 2.31 0.95 1.62 -1.41 0.00 -0.49 -0.78 103.07 105.27 2wxh h GLY 971 Ca 0.05 -0.09 -0.00 0.00 0.00 0.00 0.00 47.33 47.29 2wxh h GLY 971 CO 0.35 -0.10 0.22 1.41 0.00 0.00 0.00 176.54 178.42 2wxh h LEU 972 N 0.35 0.44 -0.12 3.11 3.38 -1.85 -1.47 115.31 119.15 2wxh h LEU 972 Ca 0.36 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2wxh h LEU 972 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2wxh h LEU 972 CO -0.40 0.34 0.03 0.25 0.09 0.00 0.00 178.44 178.75 2wxh h LEU 973 N 0.51 0.19 -0.53 1.67 5.85 -1.51 -0.39 115.31 121.10 2wxh h LEU 973 Ca 0.14 -0.24 0.03 0.00 0.84 0.00 0.00 57.88 58.64 2wxh h LEU 973 Cb -0.02 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2wxh h LEU 973 CO -0.03 0.38 0.31 -0.26 -0.34 0.00 0.00 178.44 178.51 2wxh h PHE 974 N -0.01 0.58 -0.60 1.25 0.04 -1.25 -0.74 116.94 116.21 2wxh h PHE 974 Ca 0.04 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.83 2wxh h PHE 974 Cb 0.27 -0.19 -0.03 0.00 2.20 0.00 0.00 35.95 38.20 2wxh h PHE 974 CO 0.01 0.33 0.37 -0.07 -0.60 0.00 0.00 178.31 178.35 2wxh h LEU 975 N 0.62 0.71 -0.52 1.54 3.38 -1.16 -0.31 115.31 119.57 2wxh h LEU 975 Ca 0.21 -0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.08 2wxh h LEU 975 Cb 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 2wxh h LEU 975 CO -0.10 0.55 0.13 0.45 0.09 0.00 0.00 178.44 179.56 2wxh h HIS 976 N 0.81 0.88 -0.32 1.13 3.86 -0.90 -1.06 115.15 119.55 2wxh h HIS 976 Ca 0.22 -0.10 -0.04 0.00 -1.16 0.00 0.00 60.37 59.29 2wxh h HIS 976 Cb -0.04 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.17 2wxh h HIS 976 CO -0.02 0.77 0.06 -0.07 0.86 0.00 0.00 177.93 179.53 2wxh h LEU 977 N 0.73 0.50 -1.06 2.43 3.38 -0.86 -2.36 115.31 118.06 2wxh h LEU 977 Ca 0.16 -0.25 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 2wxh h LEU 977 Cb 0.33 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.93 2wxh h LEU 977 CO 0.00 0.62 0.05 -0.26 0.09 0.00 0.00 178.44 178.94 2wxh h PHE 978 N 0.35 0.75 -0.79 1.13 -1.00 -1.01 -1.85 116.94 114.51 2wxh h PHE 978 Ca 0.10 -0.08 0.04 0.00 2.81 0.00 0.00 57.97 60.84 2wxh h PHE 978 Cb 0.33 -0.21 -0.05 0.00 3.61 0.00 0.00 35.95 39.62 2wxh h PHE 978 CO 0.02 0.67 0.49 0.00 -1.61 0.00 0.00 178.31 177.89 2wxh h ALA 979 N 1.37 1.06 -0.18 2.45 0.00 -0.97 -1.80 119.26 121.20 2wxh h ALA 979 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2wxh h ALA 979 Cb 0.35 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2wxh h ALA 979 CO 0.01 0.27 -0.35 -0.07 0.00 0.00 0.00 179.25 179.11 2wxh h LEU 980 N 0.94 0.38 -1.55 0.00 3.38 -0.92 -2.98 115.31 114.56 2wxh h LEU 980 Ca 0.33 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.15 2wxh h LEU 980 Cb 0.08 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.72 2wxh h LEU 980 CO -0.14 0.71 0.00 0.24 0.09 0.00 0.00 178.44 179.34 2wxh h MET 981 N 0.32 0.00 -0.03 1.13 2.86 -0.53 -1.83 114.93 116.85 2wxh h MET 981 Ca 0.04 0.00 0.01 0.00 -2.06 0.00 0.00 59.70 57.68 2wxh h MET 981 Cb 0.77 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.43 2wxh h MET 981 CO 0.06 0.00 0.11 0.00 1.06 0.00 0.00 176.91 178.14 2wxh h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.29 -1.30 114.38 116.59 2wxh h ARG 982 Ca 0.00 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 2wxh h ARG 982 Cb 0.38 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.43 2wxh h ARG 982 CO 0.00 0.00 -0.03 0.00 -1.07 0.00 0.00 179.97 178.87 2wxh h ALA 983 N 1.81 1.04 0.00 0.04 0.00 -1.54 -3.26 119.26 117.35 2wxh h ALA 983 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.89 2wxh h ALA 983 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2wxh h ALA 983 CO -0.00 0.04 0.00 0.00 0.00 0.00 0.00 179.25 179.29 2wxh h ALA 984 N 1.97 1.00 -0.61 0.00 0.00 -1.46 -3.48 119.26 116.68 2wxh h ALA 984 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 54.91 54.76 2wxh h ALA 984 Cb 0.36 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 2wxh h ALA 984 CO 0.00 0.00 -0.16 0.41 0.00 0.00 0.00 179.25 179.51 2wxh n GLY 985 N 1.06 0.60 3.72 0.00 0.00 -1.23 -5.01 105.19 104.33 2wxh n GLY 985 Ca 0.05 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.98 2wxh n GLY 985 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxh s LEU 986 N -1.83 4.37 0.40 0.99 1.02 -1.26 -4.90 118.68 117.47 2wxh s LEU 986 Ca 0.00 2.43 0.28 0.00 0.02 0.00 0.00 54.13 56.86 2wxh s LEU 986 Cb 0.00 -3.59 1.34 0.00 0.02 0.00 0.00 46.19 43.96 2wxh s LEU 986 CO 0.00 -0.71 1.85 -0.65 0.02 0.00 0.00 176.35 176.86 2wxh h PRO 987 N 6.77 0.00 -0.61 1.29 0.11 -2.01 -1.99 132.00 135.55 2wxh h PRO 987 Ca -0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.69 2wxh h PRO 987 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2wxh h PRO 987 CO 0.88 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 179.06 2wxh n GLU 988 N -2.54 2.65 -3.34 1.05 1.02 -1.26 -4.49 120.64 113.73 2wxh n GLU 988 Ca 0.00 -2.54 -0.25 0.00 -0.02 0.00 0.00 57.16 54.35 2wxh n GLU 988 Cb 0.16 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.94 2wxh n GLU 988 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 2wxh s LEU 989 N -1.19 1.01 0.00 -4.62 2.96 -0.75 -4.80 118.68 111.29 2wxh s LEU 989 Ca 0.46 -2.78 0.00 0.00 -0.22 0.00 0.00 54.13 51.59 2wxh s LEU 989 Cb 0.25 -0.16 0.00 0.00 0.50 0.00 0.00 46.19 46.77 2wxh s LEU 989 CO 0.33 -0.18 0.00 -1.20 -1.32 0.00 0.00 176.35 173.98 2wxh n SER 990 N 3.05 2.42 -1.84 3.68 7.64 -1.25 -4.27 113.62 123.05 2wxh n SER 990 Ca 0.26 -0.11 -0.05 0.00 1.01 0.00 0.00 58.87 59.98 2wxh n SER 990 Cb 0.47 0.70 0.00 0.00 -1.01 0.00 0.00 64.21 64.38 2wxh n SER 990 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxh h SER 992 N 0.89 0.59 -0.91 0.00 0.02 -2.00 -2.77 113.55 109.38 2wxh h SER 992 Ca -0.14 -0.21 0.18 0.00 -0.84 0.00 0.00 61.79 60.78 2wxh h SER 992 Cb 0.55 -0.16 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 2wxh h SER 992 CO 0.18 0.84 0.59 0.11 -1.14 0.00 0.00 176.83 177.41 2wxh h LYS 993 N 0.50 0.52 -0.19 3.45 1.79 -1.98 0.25 116.57 120.92 2wxh h LYS 993 Ca 0.07 -0.03 -0.12 0.00 -2.18 0.00 0.00 60.65 58.38 2wxh h LYS 993 Cb 0.73 -0.12 0.00 0.00 -1.58 0.00 0.00 32.23 31.26 2wxh h LYS 993 CO 0.06 0.34 -0.36 -0.44 -1.08 0.00 0.00 179.45 177.96 2wxh h ASP 994 N 0.53 0.64 -0.79 0.86 3.32 -1.85 -2.61 116.42 116.53 2wxh h ASP 994 Ca 0.48 -0.55 -0.03 0.00 0.02 0.00 0.00 57.03 56.95 2wxh h ASP 994 Cb 1.00 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.33 2wxh h ASP 994 CO -0.21 1.07 0.38 0.40 -1.72 0.00 0.00 179.24 179.16 2wxh h ILE 995 N 0.24 1.25 -0.54 0.35 1.08 -1.34 -2.66 117.51 115.89 2wxh h ILE 995 Ca 0.01 -0.71 0.04 0.00 -0.39 0.00 0.00 64.86 63.81 2wxh h ILE 995 Cb 0.96 0.23 -0.03 0.00 -3.07 0.00 0.00 36.82 34.91 2wxh h ILE 995 CO 0.08 0.30 0.36 -0.61 -0.69 0.00 0.00 178.15 177.59 2wxh h GLN 996 N 1.14 0.55 -0.53 2.37 5.75 -0.46 -2.20 115.11 121.74 2wxh h GLN 996 Ca 0.27 -0.03 0.06 0.00 -0.15 0.00 0.00 58.65 58.80 2wxh h GLN 996 Cb 0.12 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.49 2wxh h GLN 996 CO -0.03 0.36 0.24 -0.92 -2.65 0.00 0.00 178.83 175.83 2wxh h TYR 997 N 0.57 0.43 -0.41 3.99 3.20 -1.09 -0.78 116.97 122.87 2wxh h TYR 997 Ca 0.22 0.02 -0.06 0.00 3.14 0.00 0.00 58.73 62.06 2wxh h TYR 997 Cb 0.17 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.31 2wxh h TYR 997 CO -0.00 0.18 0.03 -0.07 -1.64 0.00 0.00 178.16 176.66 2wxh h LEU 998 N 0.45 0.68 -0.45 2.82 3.38 -1.47 -0.77 115.31 119.95 2wxh h LEU 998 Ca 0.24 -0.29 0.09 0.00 0.09 0.00 0.00 57.88 58.02 2wxh h LEU 998 Cb 0.21 -0.18 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2wxh h LEU 998 CO -0.20 0.80 -0.02 0.11 0.09 0.00 0.00 178.44 179.22 2wxh h LYS 999 N 0.54 0.09 -0.29 1.13 1.57 -1.10 -1.20 116.57 117.31 2wxh h LYS 999 Ca 0.12 -0.01 -0.07 0.00 -1.87 0.00 0.00 60.65 58.83 2wxh h LYS 999 Cb 0.43 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 2wxh h LYS 999 CO 0.01 0.06 -0.09 -0.44 -0.57 0.00 0.00 179.45 178.43 2wxh h ASP 1000N 0.09 0.58 -0.20 0.86 3.32 -1.03 -1.63 116.42 118.42 2wxh h ASP 1000Ca 0.23 -0.37 -0.07 0.00 0.02 0.00 0.00 57.03 56.83 2wxh h ASP 1000Cb 0.33 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.71 2wxh h ASP 1000CO -0.39 0.82 -0.09 0.77 -1.72 0.00 0.00 179.24 178.63 2wxh h SER 1001N 0.33 0.54 -0.14 6.45 4.64 -0.88 -1.33 113.55 123.17 2wxh h SER 1001Ca 0.07 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 2wxh h SER 1001Cb 0.58 -0.14 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 2wxh h SER 1001CO 0.03 0.68 0.00 0.18 -0.87 0.00 0.00 176.83 176.85 2wxh n LEU 1002N -4.21 1.83 -4.16 5.97 4.77 -0.48 -4.87 117.00 115.85 2wxh n LEU 1002Ca 0.01 -0.72 -0.37 0.00 -0.03 0.00 0.00 56.01 54.89 2wxh n LEU 1002Cb 0.31 -0.08 -0.04 0.00 -2.33 0.00 0.00 43.42 41.28 2wxh n LEU 1002CO 0.41 0.36 -0.32 0.00 -1.33 0.00 0.00 177.39 176.51 2wxh n ALA 1003N 0.43 -2.24 0.25 -1.18 0.00 -0.50 -4.83 120.51 112.43 2wxh n ALA 1003Ca 0.17 -0.49 0.13 0.00 0.00 0.00 0.00 53.44 53.26 2wxh n ALA 1003Cb 0.37 -1.56 0.54 0.00 0.00 0.00 0.00 19.45 18.80 2wxh n ALA 1003CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wxh h LEU 1004N -2.03 0.00 0.00 0.00 -0.00 -1.72 -2.82 115.31 108.74 2wxh h LEU 1004Ca -0.66 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.22 2wxh h LEU 1004Cb 1.34 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 42.00 2wxh h LEU 1004CO 0.59 0.11 0.00 0.61 -0.00 0.00 0.00 178.44 179.75 2wxh n GLY 1005N 0.16 -0.94 3.74 0.83 0.00 -1.26 -4.86 105.19 102.86 2wxh n GLY 1005Ca 0.01 -0.03 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 2wxh n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxh s LYS 1006N -2.00 2.30 0.84 1.61 1.02 -1.07 -5.12 119.74 117.32 2wxh s LYS 1006Ca 0.07 -1.68 -0.12 0.00 0.02 0.00 0.00 55.97 54.27 2wxh s LYS 1006Cb 0.03 -2.10 0.09 0.00 -0.52 0.00 0.00 37.83 35.34 2wxh s LYS 1006CO 0.06 -0.00 1.10 0.95 -0.92 0.00 0.00 175.35 176.53 2wxh s THR 1007N -2.51 2.84 0.36 2.17 -4.23 -1.26 -4.85 115.64 108.16 2wxh s THR 1007Ca 0.40 0.27 0.03 0.00 -1.18 0.00 0.00 61.69 61.21 2wxh s THR 1007Cb 0.00 -2.95 0.25 0.00 1.34 0.00 0.00 72.50 71.14 2wxh s THR 1007CO 0.23 -0.36 2.00 -0.08 -0.54 0.00 0.00 174.62 175.87 2wxh h GLU 1008N -1.26 0.74 -0.17 3.99 4.81 -1.99 -1.47 114.58 119.23 2wxh h GLU 1008Ca -0.48 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.66 2wxh h GLU 1008Cb 1.28 -0.16 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 2wxh h GLU 1008CO 0.58 0.52 0.00 1.49 -0.73 0.00 0.00 179.01 180.88 2wxh h GLU 1009N 0.76 0.31 0.11 1.92 4.57 -2.00 -1.81 114.58 118.44 2wxh h GLU 1009Ca 0.20 -0.10 -0.00 0.00 -1.18 0.00 0.00 59.36 58.28 2wxh h GLU 1009Cb -0.03 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 2wxh h GLU 1009CO -0.04 0.52 -0.07 0.93 -1.18 0.00 0.00 179.01 179.17 2wxh h GLU 1010N 0.06 -0.17 -0.92 1.92 5.08 -1.90 -2.43 114.58 116.22 2wxh h GLU 1010Ca 0.05 0.01 0.15 0.00 -1.00 0.00 0.00 59.36 58.57 2wxh h GLU 1010Cb 0.38 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 29.58 2wxh h GLU 1010CO 0.01 -0.11 0.53 0.00 -1.00 0.00 0.00 179.01 178.44 2wxh h ALA 1011N 0.71 1.42 -0.13 3.43 0.00 -1.21 -1.13 119.26 122.36 2wxh h ALA 1011Ca -0.01 0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.79 2wxh h ALA 1011Cb 0.15 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 2wxh h ALA 1011CO 0.01 0.02 -0.66 1.25 0.00 0.00 0.00 179.25 179.86 2wxh h LEU 1012N 0.77 0.58 -0.25 0.00 5.85 -1.21 0.15 115.31 121.20 2wxh h LEU 1012Ca 0.49 -0.35 -0.00 0.00 0.84 0.00 0.00 57.88 58.86 2wxh h LEU 1012Cb 0.64 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 2wxh h LEU 1012CO -0.33 1.09 0.15 0.50 -0.34 0.00 0.00 178.44 179.50 2wxh h LYS 1013N 0.36 0.34 0.30 1.25 1.63 -0.89 0.14 116.57 119.70 2wxh h LYS 1013Ca -0.02 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 2wxh h LYS 1013Cb 1.23 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 32.76 2wxh h LYS 1013CO 0.12 0.28 -0.36 1.25 -3.45 0.00 0.00 179.45 177.30 2wxh h HIS 1014N 0.31 -0.97 -0.99 1.91 2.76 -1.10 -1.16 115.15 115.91 2wxh h HIS 1014Ca 0.09 0.01 0.18 0.00 -2.20 0.00 0.00 60.37 58.45 2wxh h HIS 1014Cb 0.03 0.39 -0.10 0.00 1.55 0.00 0.00 27.41 29.28 2wxh h HIS 1014CO -0.04 -0.49 0.62 0.35 -1.30 0.00 0.00 177.93 177.06 2wxh h PHE 1015N -0.70 1.02 -0.68 5.26 3.57 -0.60 -2.05 116.94 122.77 2wxh h PHE 1015Ca -0.01 0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.45 2wxh h PHE 1015Cb 0.65 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 2wxh h PHE 1015CO -0.23 0.27 0.16 0.00 -2.23 0.00 0.00 178.31 176.27 2wxh h ARG 1016N 0.77 1.10 -0.40 1.11 3.08 0.11 -0.24 114.38 119.91 2wxh h ARG 1016Ca 0.55 -0.27 -0.00 0.00 0.07 0.00 0.00 59.98 60.33 2wxh h ARG 1016Cb 0.85 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2wxh h ARG 1016CO -0.33 0.98 0.23 0.28 -1.07 0.00 0.00 179.97 180.06 2wxh h VAL 1017N 1.03 1.14 -0.25 2.04 2.07 -0.53 0.78 116.25 122.52 2wxh h VAL 1017Ca 0.21 -0.34 0.02 0.00 0.82 0.00 0.00 66.70 67.41 2wxh h VAL 1017Cb 0.38 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 2wxh h VAL 1017CO 0.00 0.14 0.12 0.11 0.02 0.00 0.00 177.57 177.97 2wxh h LYS 1018N 0.52 0.25 -0.34 1.57 1.79 -1.22 0.29 116.57 119.43 2wxh h LYS 1018Ca 0.14 -0.02 -0.01 0.00 -2.18 0.00 0.00 60.65 58.59 2wxh h LYS 1018Cb 0.03 -0.06 -0.02 0.00 -1.58 0.00 0.00 32.23 30.60 2wxh h LYS 1018CO -0.02 0.17 0.19 0.35 -1.08 0.00 0.00 179.45 179.06 2wxh h PHE 1019N 0.26 0.47 -0.68 -1.35 3.57 -0.83 0.07 116.94 118.45 2wxh h PHE 1019Ca 0.10 -0.01 -0.03 0.00 3.53 0.00 0.00 57.97 61.56 2wxh h PHE 1019Cb 0.03 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.59 2wxh h PHE 1019CO -0.10 0.36 0.30 -0.91 -2.23 0.00 0.00 178.31 175.73 2wxh h ASN 1020N 0.44 0.92 -0.57 0.41 2.35 -0.58 -1.02 115.58 117.53 2wxh h ASN 1020Ca 0.12 -0.15 -0.04 0.00 -0.55 0.00 0.00 56.30 55.68 2wxh h ASN 1020Cb 0.05 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.15 2wxh h ASN 1020CO -0.02 0.82 0.22 -0.33 -1.65 0.00 0.00 177.43 176.47 2wxh h GLU 1021N 0.96 0.90 -0.67 0.81 5.08 -0.25 -2.37 114.58 119.04 2wxh h GLU 1021Ca 0.23 -0.16 -0.05 0.00 -1.00 0.00 0.00 59.36 58.38 2wxh h GLU 1021Cb 0.17 -0.15 -0.03 0.00 0.50 0.00 0.00 28.75 29.24 2wxh h GLU 1021CO -0.02 0.76 0.21 0.00 -1.00 0.00 0.00 179.01 178.96 2wxh h ALA 1022N 1.35 0.88 -0.65 3.43 0.00 -0.54 -2.31 119.26 121.43 2wxh h ALA 1022Ca 0.20 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 2wxh h ALA 1022Cb 0.21 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 2wxh h ALA 1022CO -0.01 0.56 0.28 1.25 0.00 0.00 0.00 179.25 181.32 2wxh h LEU 1023N 0.98 0.89 -0.29 0.00 5.85 -0.89 -0.63 115.31 121.22 2wxh h LEU 1023Ca 0.22 -0.16 -0.01 0.00 0.84 0.00 0.00 57.88 58.77 2wxh h LEU 1023Cb 0.30 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 2wxh h LEU 1023CO -0.01 0.80 0.15 0.03 -0.34 0.00 0.00 178.44 179.08 2wxh h ARG 1024N 0.91 0.42 -0.68 1.25 3.08 -1.39 -2.94 114.38 115.03 2wxh h ARG 1024Ca 0.22 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.23 2wxh h ARG 1024Cb 0.18 -0.08 -0.04 0.00 0.08 0.00 0.00 29.97 30.12 2wxh h ARG 1024CO -0.02 0.38 0.44 1.49 -1.07 0.00 0.00 179.97 181.18 2wxh h GLU 1025N 0.35 0.85 -6.11 0.04 4.57 -1.23 -3.40 114.58 109.64 2wxh h GLU 1025Ca 0.10 -0.05 -0.76 0.00 -1.18 0.00 0.00 59.36 57.47 2wxh h GLU 1025Cb 0.09 -0.19 0.01 0.00 -0.16 0.00 0.00 28.75 28.50 2wxh h GLU 1025CO -0.01 0.56 0.91 0.45 -1.18 0.00 0.00 179.01 179.74 2wxh n SER 1026N -4.65 2.17 0.00 1.04 2.88 -0.26 -5.06 113.62 109.75 2wxh n SER 1026Ca 0.06 1.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.66 2wxh n SER 1026Cb 0.05 -1.10 0.00 0.00 -0.75 0.00 0.00 64.21 62.41 2wxh n SER 1026CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60