#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxj n LYS 110 N 0.00 0.92 -0.03 1.45 3.00 -1.26 -2.30 118.16 119.94 2wxj n LYS 110 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 2wxj n LYS 110 Cb 0.00 -1.26 -0.10 0.00 0.00 0.00 0.00 35.03 33.67 2wxj n LYS 110 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2wxj n LYS 111 N -0.76 1.19 -0.03 1.64 3.00 -1.26 -3.62 118.16 118.32 2wxj n LYS 111 Ca 0.12 -0.06 -0.15 0.00 -0.00 0.00 0.00 58.31 58.21 2wxj n LYS 111 Cb 0.05 -1.31 -0.11 0.00 0.00 0.00 0.00 35.03 33.67 2wxj n LYS 111 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2wxj h LEU 112 N 0.00 0.23 -1.13 3.14 5.85 -1.91 -2.98 115.31 118.51 2wxj h LEU 112 Ca -0.16 -0.72 0.04 0.00 0.84 0.00 0.00 57.88 57.88 2wxj h LEU 112 Cb 1.16 -0.07 -0.05 0.00 0.37 0.00 0.00 40.66 42.06 2wxj h LEU 112 CO 0.01 0.92 0.59 0.40 -0.34 0.00 0.00 178.44 180.03 2wxj h ILE 113 N -0.43 1.13 0.00 4.05 2.04 -1.65 0.94 117.51 123.58 2wxj h ILE 113 Ca -0.02 -0.38 -0.06 0.00 1.00 0.00 0.00 64.86 65.40 2wxj h ILE 113 Cb 0.94 -0.07 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 2wxj h ILE 113 CO 0.05 0.20 -0.27 0.78 0.00 0.00 0.00 178.15 178.91 2wxj h ASN 114 N 1.10 0.00 0.75 1.72 2.35 -1.62 -1.15 115.58 118.74 2wxj h ASN 114 Ca 0.37 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.88 2wxj h ASN 114 Cb 0.07 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2wxj h ASN 114 CO -0.12 0.27 -1.35 0.77 -1.65 0.00 0.00 177.43 175.35 2wxj h SER 115 N 0.00 0.00 -0.32 5.81 4.64 -0.95 -2.54 113.55 120.20 2wxj h SER 115 Ca -0.00 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.23 2wxj h SER 115 Cb 0.66 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.74 2wxj h SER 115 CO 0.04 0.95 -0.16 1.56 -0.87 0.00 0.00 176.83 178.34 2wxj h GLN 116 N 0.00 0.66 -0.20 4.77 4.20 -0.43 -2.39 115.11 121.72 2wxj h GLN 116 Ca -0.16 -0.29 0.00 0.00 0.06 0.00 0.00 58.65 58.27 2wxj h GLN 116 Cb 1.86 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 29.61 2wxj h GLN 116 CO 0.10 0.88 0.13 0.82 -0.67 0.00 0.00 178.83 180.09 2wxj h ILE 117 N 0.43 1.04 -0.84 2.54 2.04 -1.28 -1.60 117.51 119.83 2wxj h ILE 117 Ca 0.07 -0.09 0.12 0.00 1.00 0.00 0.00 64.86 65.96 2wxj h ILE 117 Cb 0.69 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 37.43 2wxj h ILE 117 CO 0.05 0.05 0.45 0.28 0.00 0.00 0.00 178.15 178.98 2wxj h SER 118 N 0.26 0.60 -0.20 1.72 0.02 -1.35 -1.40 113.55 113.19 2wxj h SER 118 Ca 0.08 0.07 -0.19 0.00 -0.84 0.00 0.00 61.79 60.91 2wxj h SER 118 Cb -0.02 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.49 2wxj h SER 118 CO -0.03 0.29 -0.61 0.25 -1.14 0.00 0.00 176.83 175.60 2wxj h LEU 119 N 0.70 0.89 -0.27 5.07 5.85 -1.27 -2.94 115.31 123.34 2wxj h LEU 119 Ca 0.44 -0.58 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 2wxj h LEU 119 Cb 0.53 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2wxj h LEU 119 CO -0.31 1.32 0.09 0.25 -0.34 0.00 0.00 178.44 179.44 2wxj h LEU 120 N 0.50 0.38 -0.04 2.25 5.85 -0.68 -3.07 115.31 120.51 2wxj h LEU 120 Ca -0.02 -0.20 0.00 0.00 0.84 0.00 0.00 57.88 58.50 2wxj h LEU 120 Cb 1.23 -0.10 0.00 0.00 0.37 0.00 0.00 40.66 42.16 2wxj h LEU 120 CO 0.13 0.48 -0.16 2.30 -0.34 0.00 0.00 178.44 180.85 2wxj n ILE 121 N -4.74 0.00 -2.16 4.05 -5.35 -0.58 -4.94 119.36 105.63 2wxj n ILE 121 Ca -0.03 -0.01 -0.13 0.00 -0.27 0.00 0.00 62.75 62.31 2wxj n ILE 121 Cb 0.16 -0.22 -0.01 0.00 -1.74 0.00 0.00 39.64 37.83 2wxj n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxj n GLY 122 N 1.45 -0.02 3.27 3.28 0.00 -1.12 -4.95 105.19 107.10 2wxj n GLY 122 Ca 0.08 -0.33 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 2wxj n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxj s LYS 123 N -4.51 0.38 0.15 1.61 2.20 -1.14 -5.05 119.74 113.39 2wxj s LYS 123 Ca 0.00 0.82 -0.31 0.00 -0.36 0.00 0.00 55.97 56.13 2wxj s LYS 123 Cb 0.00 0.02 -0.08 0.00 -1.51 0.00 0.00 37.83 36.26 2wxj s LYS 123 CO 0.00 -0.17 1.32 0.20 -0.36 0.00 0.00 175.35 176.34 2wxj s GLY 124 N 1.58 2.27 0.56 5.54 0.00 -1.26 -4.48 107.32 111.52 2wxj s GLY 124 Ca -0.08 1.08 0.23 0.00 0.00 0.00 0.00 44.72 45.95 2wxj s GLY 124 CO -0.13 2.16 2.18 1.41 0.00 0.00 0.00 173.10 178.73 2wxj h LEU 125 N 6.07 0.00 -2.29 0.66 3.38 -1.90 -1.14 115.31 120.08 2wxj h LEU 125 Ca -0.43 0.00 0.03 0.00 0.09 0.00 0.00 57.88 57.56 2wxj h LEU 125 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wxj h LEU 125 CO 0.81 0.00 0.09 1.12 0.09 0.00 0.00 178.44 180.55 2wxj h HIS 126 N 0.00 0.00 0.00 1.13 2.07 -1.97 -0.07 115.15 116.30 2wxj h HIS 126 Ca 0.02 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.50 2wxj h HIS 126 Cb 0.10 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.07 2wxj h HIS 126 CO 0.00 0.00 -0.21 0.93 -3.07 0.00 0.00 177.93 175.58 2wxj h GLU 127 N 0.00 0.00 -0.09 5.12 5.08 -1.59 -2.08 114.58 121.02 2wxj h GLU 127 Ca 0.04 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.25 2wxj h GLU 127 Cb 0.22 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.47 2wxj h GLU 127 CO -0.00 0.21 -0.53 0.74 -1.00 0.00 0.00 179.01 178.43 2wxj h PHE 128 N 0.00 0.71 -0.59 4.33 0.04 -1.16 -3.31 116.94 116.96 2wxj h PHE 128 Ca -0.00 -0.32 0.00 0.00 2.80 0.00 0.00 57.97 60.45 2wxj h PHE 128 Cb 0.62 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.64 2wxj h PHE 128 CO 0.00 1.11 0.38 -0.44 -0.60 0.00 0.00 178.31 178.76 2wxj h ASP 129 N 0.11 0.69 0.25 2.17 3.32 -1.48 -3.08 116.42 118.41 2wxj h ASP 129 Ca -0.04 -0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2wxj h ASP 129 Cb 1.18 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.56 2wxj h ASP 129 CO 0.11 0.51 0.00 0.28 -1.72 0.00 0.00 179.24 178.42 2wxj h SER 130 N 0.80 0.00 0.84 6.45 0.02 -1.46 -0.88 113.55 119.32 2wxj h SER 130 Ca 0.22 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.17 2wxj h SER 130 Cb -0.07 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.47 2wxj h SER 130 CO -0.04 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.83 2wxj n LEU 131 N -2.70 0.03 -3.88 5.07 4.77 -1.16 -4.91 117.00 114.22 2wxj n LEU 131 Ca -0.01 0.50 -0.27 0.00 -0.03 0.00 0.00 56.01 56.20 2wxj n LEU 131 Cb 0.12 -0.50 -0.07 0.00 -2.33 0.00 0.00 43.42 40.64 2wxj n LEU 131 CO 0.18 -0.10 -0.28 0.54 -1.33 0.00 0.00 177.39 176.40 2wxj n ARG 132 N -1.53 -0.89 -3.88 3.23 5.12 -0.34 -4.87 116.66 113.50 2wxj n ARG 132 Ca 0.06 0.08 -0.35 0.00 -1.93 0.00 0.00 57.85 55.70 2wxj n ARG 132 Cb 0.28 -3.05 -0.14 0.00 -1.16 0.00 0.00 32.46 28.40 2wxj n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxj s ASP 133 N -3.60 4.69 0.45 0.55 -1.08 -1.26 -5.01 116.67 111.40 2wxj s ASP 133 Ca 0.22 -0.90 0.14 0.00 -0.52 0.00 0.00 52.55 51.49 2wxj s ASP 133 Cb -0.13 -1.74 1.01 0.00 -1.46 0.00 0.00 42.92 40.60 2wxj s ASP 133 CO 0.78 -0.18 2.01 1.55 0.52 0.00 0.00 175.17 179.85 2wxj h PRO 134 N 8.08 0.04 -0.36 4.34 0.13 -1.99 -1.71 132.00 140.54 2wxj h PRO 134 Ca -0.30 -0.01 -0.06 0.00 -0.87 0.00 0.00 66.00 64.76 2wxj h PRO 134 Cb 1.10 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 2wxj h PRO 134 CO 0.58 0.18 -0.00 1.49 -0.23 0.00 0.00 178.00 180.02 2wxj h GLU 135 N 0.04 0.64 -0.22 0.86 4.81 -1.98 0.22 114.58 118.95 2wxj h GLU 135 Ca 0.01 -0.21 0.01 0.00 -0.13 0.00 0.00 59.36 59.05 2wxj h GLU 135 Cb 0.27 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.57 2wxj h GLU 135 CO 0.02 0.75 0.10 0.28 -0.73 0.00 0.00 179.01 179.44 2wxj h VAL 136 N 0.46 0.99 -1.01 0.32 2.07 -1.85 -0.70 116.25 116.53 2wxj h VAL 136 Ca 0.10 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.58 2wxj h VAL 136 Cb 0.46 0.74 -0.06 0.00 -1.52 0.00 0.00 31.29 30.92 2wxj h VAL 136 CO 0.02 0.04 0.66 0.78 0.02 0.00 0.00 177.57 179.09 2wxj h ASN 137 N 0.23 1.11 -0.16 0.57 2.35 -1.04 -0.49 115.58 118.15 2wxj h ASN 137 Ca 0.09 -0.02 -0.15 0.00 -0.55 0.00 0.00 56.30 55.68 2wxj h ASN 137 Cb 0.03 -0.26 0.00 0.00 0.05 0.00 0.00 38.32 38.14 2wxj h ASN 137 CO -0.07 0.77 -0.47 0.44 -1.65 0.00 0.00 177.43 176.45 2wxj h ASP 138 N 1.30 0.69 -0.63 5.81 3.32 -0.35 -1.94 116.42 124.60 2wxj h ASP 138 Ca 0.39 -0.59 0.11 0.00 0.02 0.00 0.00 57.03 56.96 2wxj h ASP 138 Cb -0.04 -0.20 -0.08 0.00 0.22 0.00 0.00 39.33 39.23 2wxj h ASP 138 CO -0.11 1.16 0.22 0.15 -1.72 0.00 0.00 179.24 178.94 2wxj h PHE 139 N 0.26 0.38 -0.02 4.55 3.57 -0.94 -2.07 116.94 122.66 2wxj h PHE 139 Ca -0.01 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.51 2wxj h PHE 139 Cb 1.09 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.76 2wxj h PHE 139 CO 0.10 0.07 -0.00 0.00 -2.23 0.00 0.00 178.31 176.25 2wxj h ARG 140 N 0.39 0.04 -0.13 1.11 3.08 -0.79 -1.03 114.38 117.05 2wxj h ARG 140 Ca 0.33 -0.01 -0.15 0.00 0.07 0.00 0.00 59.98 60.21 2wxj h ARG 140 Cb 0.44 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.47 2wxj h ARG 140 CO -0.34 0.34 -0.57 1.79 -1.07 0.00 0.00 179.97 180.12 2wxj h THR 141 N -0.26 1.35 -0.18 2.04 1.35 -1.31 -0.95 112.91 114.95 2wxj h THR 141 Ca 0.01 -1.87 -0.16 0.00 -0.55 0.00 0.00 66.41 63.84 2wxj h THR 141 Cb 0.32 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 68.62 2wxj h THR 141 CO 0.00 0.57 -0.52 0.50 -0.25 0.00 0.00 175.52 175.82 2wxj h LYS 142 N 0.31 0.67 0.00 4.72 3.64 -1.41 -2.73 116.57 121.77 2wxj h LYS 142 Ca 0.00 -0.48 -0.10 0.00 -1.27 0.00 0.00 60.65 58.80 2wxj h LYS 142 Cb 1.10 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.98 2wxj h LYS 142 CO 0.10 1.10 -0.48 0.52 -2.27 0.00 0.00 179.45 178.42 2wxj h MET 143 N 0.36 0.00 -0.75 1.90 2.86 -1.14 -1.55 114.93 116.61 2wxj h MET 143 Ca -0.01 0.00 -0.06 0.00 -2.06 0.00 0.00 59.70 57.57 2wxj h MET 143 Cb 1.14 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.76 2wxj h MET 143 CO 0.11 0.48 0.24 -0.09 1.06 0.00 0.00 176.91 178.71 2wxj h ARG 144 N 0.00 1.16 0.07 1.72 2.43 -1.18 -1.89 114.38 116.69 2wxj h ARG 144 Ca -0.00 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2wxj h ARG 144 Cb 1.10 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.48 2wxj h ARG 144 CO 0.06 0.98 -0.03 0.37 -1.51 0.00 0.00 179.97 179.84 2wxj h GLN 145 N 1.11 -0.08 -0.81 0.20 4.15 -1.14 -0.72 115.11 117.82 2wxj h GLN 145 Ca 0.24 0.01 0.10 0.00 0.77 0.00 0.00 58.65 59.77 2wxj h GLN 145 Cb 0.30 0.02 -0.08 0.00 0.21 0.00 0.00 27.48 27.94 2wxj h GLN 145 CO -0.01 0.30 0.45 0.35 -1.93 0.00 0.00 178.83 177.99 2wxj h PHE 146 N -0.49 0.81 -0.05 3.99 3.57 -1.27 -2.50 116.94 121.00 2wxj h PHE 146 Ca -0.01 0.03 -0.19 0.00 3.53 0.00 0.00 57.97 61.33 2wxj h PHE 146 Cb 0.43 -0.24 -0.00 0.00 2.79 0.00 0.00 35.95 38.92 2wxj h PHE 146 CO 0.06 0.31 -0.80 0.00 -2.23 0.00 0.00 178.31 175.65 2wxj h GLU 148 N 0.23 0.91 -0.50 0.00 5.08 -0.75 -1.82 114.58 117.73 2wxj h GLU 148 Ca -0.04 -0.21 -0.07 0.00 -1.00 0.00 0.00 59.36 58.03 2wxj h GLU 148 Cb 1.39 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.50 2wxj h GLU 148 CO 0.13 0.84 0.04 0.93 -1.00 0.00 0.00 179.01 179.95 2wxj h GLU 149 N 0.87 0.86 -0.87 2.33 5.08 -1.47 -1.34 114.58 120.04 2wxj h GLU 149 Ca 0.18 -0.25 0.05 0.00 -1.00 0.00 0.00 59.36 58.34 2wxj h GLU 149 Cb 0.36 -0.09 -0.06 0.00 0.50 0.00 0.00 28.75 29.47 2wxj h GLU 149 CO 0.01 0.88 0.55 0.00 -1.00 0.00 0.00 179.01 179.44 2wxj h ALA 150 N 0.95 1.17 -0.26 3.43 0.00 -1.32 0.22 119.26 123.46 2wxj h ALA 150 Ca 0.15 -0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2wxj h ALA 150 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wxj h ALA 150 CO 0.02 0.35 -0.29 0.00 0.00 0.00 0.00 179.25 179.33 2wxj h ALA 151 N 1.38 1.01 -0.32 0.00 0.00 -1.08 -2.31 119.26 117.96 2wxj h ALA 151 Ca 0.36 -0.37 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2wxj h ALA 151 Cb 0.09 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2wxj h ALA 151 CO -0.14 0.59 -0.13 0.00 0.00 0.00 0.00 179.25 179.57 2wxj h ALA 152 N 1.23 0.44 -0.95 0.00 0.00 -0.54 -2.65 119.26 116.79 2wxj h ALA 152 Ca 0.06 -0.32 0.14 0.00 0.00 0.00 0.00 54.91 54.79 2wxj h ALA 152 Cb 0.74 -0.11 -0.08 0.00 0.00 0.00 0.00 17.79 18.34 2wxj h ALA 152 CO 0.06 0.32 0.60 1.25 0.00 0.00 0.00 179.25 181.48 2wxj h HIS 153 N 0.41 0.96 0.00 0.00 6.17 -0.79 -2.48 115.15 119.42 2wxj h HIS 153 Ca 0.07 0.03 -0.10 0.00 0.71 0.00 0.00 60.37 61.08 2wxj h HIS 153 Cb 0.64 -0.30 -0.01 0.00 2.52 0.00 0.00 27.41 30.26 2wxj h HIS 153 CO 0.06 0.34 -0.48 -0.09 0.71 0.00 0.00 177.93 178.47 2wxj h ARG 154 N 0.80 0.00 0.00 5.26 2.43 -1.09 -3.18 114.38 118.60 2wxj h ARG 154 Ca 0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.65 2wxj h ARG 154 Cb 0.67 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.22 2wxj h ARG 154 CO -0.25 0.48 0.00 1.04 -1.51 0.00 0.00 179.97 179.74 2wxj n GLN 155 N -3.43 0.13 -0.01 0.20 1.13 -0.93 -2.54 117.38 111.92 2wxj n GLN 155 Ca 0.00 0.16 0.08 0.00 -1.94 0.00 0.00 57.00 55.30 2wxj n GLN 155 Cb 0.62 -1.67 0.07 0.00 0.11 0.00 0.00 30.24 29.38 2wxj n GLN 155 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxj n GLN 156 N -1.90 1.17 -1.49 -1.09 10.64 -1.22 -4.93 117.38 118.57 2wxj n GLN 156 Ca 0.06 -1.44 -0.42 0.00 -1.83 0.00 0.00 57.00 53.37 2wxj n GLN 156 Cb 0.35 -1.29 0.00 0.00 -0.86 0.00 0.00 30.24 28.44 2wxj n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxj n LEU 157 N 0.85 0.46 -4.60 2.61 4.77 -1.05 -4.96 117.00 115.07 2wxj n LEU 157 Ca 0.09 0.97 -0.30 0.00 -0.03 0.00 0.00 56.01 56.74 2wxj n LEU 157 Cb 0.38 -1.15 0.20 0.00 -2.33 0.00 0.00 43.42 40.52 2wxj n LEU 157 CO 0.09 -2.54 0.61 -0.83 -1.33 0.00 0.00 177.39 173.40 2wxj s GLY 158 N -0.88 1.63 0.24 -0.72 0.00 -1.26 -4.74 107.32 101.59 2wxj s GLY 158 Ca 0.63 0.31 -0.02 0.00 0.00 0.00 0.00 44.72 45.64 2wxj s GLY 158 CO 0.58 0.85 1.69 0.11 0.00 0.00 0.00 173.10 176.33 2wxj h TRP 159 N -2.20 0.77 -0.33 1.90 5.08 -1.94 -0.08 115.95 119.16 2wxj h TRP 159 Ca -0.51 -0.15 -0.03 0.00 1.08 0.00 0.00 58.89 59.28 2wxj h TRP 159 Cb 1.29 -0.19 -0.01 0.00 -3.00 0.00 0.00 29.16 27.25 2wxj h TRP 159 CO 0.41 0.82 0.08 0.28 -1.28 0.00 0.00 178.44 178.75 2wxj h VAL 160 N 0.62 1.22 -0.18 0.12 2.07 -1.97 -2.30 116.25 115.83 2wxj h VAL 160 Ca 0.10 -0.73 -0.03 0.00 0.82 0.00 0.00 66.70 66.86 2wxj h VAL 160 Cb 0.64 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.47 2wxj h VAL 160 CO 0.05 0.24 -0.01 -0.33 0.02 0.00 0.00 177.57 177.54 2wxj h GLU 161 N 0.37 0.26 -0.11 1.57 5.08 -1.82 -1.09 114.58 118.84 2wxj h GLU 161 Ca 0.10 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 58.39 2wxj h GLU 161 Cb 0.29 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.49 2wxj h GLU 161 CO 0.00 0.29 -0.07 2.35 -1.00 0.00 0.00 179.01 180.58 2wxj h TRP 162 N 0.25 0.28 -0.47 4.33 2.91 -0.93 -1.50 115.95 120.83 2wxj h TRP 162 Ca 0.06 -0.08 0.10 0.00 1.13 0.00 0.00 58.89 60.10 2wxj h TRP 162 Cb 0.19 -0.06 -0.10 0.00 -0.51 0.00 0.00 29.16 28.68 2wxj h TRP 162 CO 0.00 0.62 -0.20 -0.07 -1.03 0.00 0.00 178.44 177.76 2wxj h LEU 163 N -0.13 -0.68 -0.97 0.65 3.38 -0.79 0.18 115.31 116.95 2wxj h LEU 163 Ca 0.02 0.17 0.16 0.00 0.09 0.00 0.00 57.88 58.32 2wxj h LEU 163 Cb 0.55 0.38 -0.10 0.00 0.09 0.00 0.00 40.66 41.58 2wxj h LEU 163 CO 0.02 -0.23 0.58 1.56 0.09 0.00 0.00 178.44 180.46 2wxj h GLN 164 N -0.09 0.77 -0.07 1.13 4.20 -1.16 0.56 115.11 120.45 2wxj h GLN 164 Ca 0.22 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.87 2wxj h GLN 164 Cb 0.44 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.04 2wxj h GLN 164 CO -0.53 0.51 -0.02 -0.92 -0.67 0.00 0.00 178.83 177.20 2wxj h TYR 165 N 0.80 0.14 0.06 2.96 3.20 0.08 -3.24 116.97 120.97 2wxj h TYR 165 Ca 0.53 -0.03 -0.37 0.00 3.14 0.00 0.00 58.73 62.00 2wxj h TYR 165 Cb 0.73 -0.03 -0.04 0.00 1.54 0.00 0.00 36.73 38.92 2wxj h TYR 165 CO -0.02 0.47 -2.17 0.45 -1.64 0.00 0.00 178.16 175.24 2wxj n SER 166 N -4.81 1.84 -3.34 -2.11 2.88 0.43 -1.07 113.62 107.44 2wxj n SER 166 Ca -0.07 0.09 -0.27 0.00 -1.33 0.00 0.00 58.87 57.29 2wxj n SER 166 Cb 0.23 -0.52 -0.07 0.00 -0.75 0.00 0.00 64.21 63.10 2wxj n SER 166 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 2wxj n PHE 167 N -3.32 3.19 -1.68 0.66 3.72 0.19 -4.71 117.46 115.51 2wxj n PHE 167 Ca -0.36 -4.07 -0.40 0.00 -0.05 0.00 0.00 57.45 52.58 2wxj n PHE 167 Cb 1.03 -0.53 0.03 0.00 -0.94 0.00 0.00 39.48 39.07 2wxj n PHE 167 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 176.76 174.41 2wxj n PRO 168 N 0.79 1.62 -1.98 -1.08 -0.02 -1.22 -4.50 135.00 128.60 2wxj n PRO 168 Ca 0.29 0.59 -0.40 0.00 -2.02 0.00 0.00 63.50 61.96 2wxj n PRO 168 Cb 0.43 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.55 2wxj n PRO 168 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2wxj s LEU 169 N -2.01 4.26 -0.40 2.45 1.43 -1.26 -4.90 118.68 118.25 2wxj s LEU 169 Ca 0.66 2.77 -0.02 0.00 -1.03 0.00 0.00 54.13 56.51 2wxj s LEU 169 Cb -0.48 -3.82 0.11 0.00 0.03 0.00 0.00 46.19 42.03 2wxj s LEU 169 CO 0.54 -0.84 0.18 -1.10 0.23 0.00 0.00 176.35 175.35 2wxj s GLN 170 N -2.16 1.96 0.25 1.70 -0.21 -1.26 -5.08 119.66 114.86 2wxj s GLN 170 Ca 0.55 -1.80 0.08 0.00 0.02 0.00 0.00 55.36 54.21 2wxj s GLN 170 Cb -0.41 -3.52 -0.04 0.00 1.00 0.00 0.00 33.01 30.04 2wxj s GLN 170 CO 0.53 -1.03 0.11 -0.51 -2.12 0.00 0.00 175.29 172.27 2wxj s LEU 171 N 1.12 3.56 0.47 2.90 1.43 -1.26 -0.80 118.68 126.10 2wxj s LEU 171 Ca 0.08 -0.39 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 2wxj s LEU 171 Cb -0.22 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 43.82 2wxj s LEU 171 CO -0.04 -0.01 1.10 -1.61 0.23 0.00 0.00 176.35 176.02 2wxj s GLU 172 N -3.68 3.78 0.00 1.70 0.41 0.30 -4.56 118.70 116.65 2wxj s GLU 172 Ca 0.32 1.58 0.01 0.00 -0.41 0.00 0.00 54.97 56.47 2wxj s GLU 172 Cb -0.08 -2.28 0.06 0.00 -1.78 0.00 0.00 34.13 30.04 2wxj s GLU 172 CO 0.23 -0.49 0.29 -2.30 -0.49 0.00 0.00 175.26 172.50 2wxj n PRO 173 N -0.66 0.20 0.00 0.39 -0.02 -1.26 -5.03 135.00 128.62 2wxj n PRO 173 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wxj n PRO 173 Cb 0.50 -1.07 0.00 0.00 -0.02 0.00 0.00 33.50 32.91 2wxj n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxj n ASN 187 N -0.57 0.00 -4.72 2.55 2.85 -1.26 -4.88 115.26 109.24 2wxj n ASN 187 Ca 0.01 0.00 -0.31 0.00 -0.11 0.00 0.00 54.58 54.16 2wxj n ASN 187 Cb 0.00 0.00 -0.08 0.00 1.24 0.00 0.00 39.78 40.94 2wxj n ASN 187 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2wxj s ARG 188 N 0.00 2.77 0.11 1.20 3.00 -1.26 -4.99 118.95 119.78 2wxj s ARG 188 Ca 0.00 -0.68 -0.12 0.00 -1.00 0.00 0.00 55.73 53.93 2wxj s ARG 188 Cb 0.00 -2.67 -0.06 0.00 0.00 0.00 0.00 34.95 32.22 2wxj s ARG 188 CO 0.00 0.59 0.46 0.00 0.00 0.00 0.00 175.30 176.36 2wxj s ALA 189 N -1.23 3.66 0.04 6.12 0.00 -1.26 -0.11 121.76 128.97 2wxj s ALA 189 Ca 0.24 -0.27 -0.06 0.00 0.00 0.00 0.00 51.96 51.87 2wxj s ALA 189 Cb -0.12 -2.38 -0.01 0.00 0.00 0.00 0.00 23.12 20.61 2wxj s ALA 189 CO 0.16 0.52 0.10 -0.48 0.00 0.00 0.00 175.76 176.05 2wxj s LEU 190 N -1.93 1.79 -0.03 0.00 2.34 0.22 -4.85 118.68 116.22 2wxj s LEU 190 Ca 0.35 -0.52 -0.16 0.00 0.06 0.00 0.00 54.13 53.86 2wxj s LEU 190 Cb -0.14 0.61 -0.05 0.00 -0.56 0.00 0.00 46.19 46.04 2wxj s LEU 190 CO 0.18 -0.50 0.44 -0.76 -1.06 0.00 0.00 176.35 174.65 2wxj s LEU 191 N -2.10 4.42 0.02 1.48 1.43 -1.26 -0.91 118.68 121.77 2wxj s LEU 191 Ca -0.05 0.95 0.06 0.00 -1.03 0.00 0.00 54.13 54.05 2wxj s LEU 191 Cb -0.01 -2.65 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 2wxj s LEU 191 CO -0.04 0.22 -0.17 -0.69 0.23 0.00 0.00 176.35 175.90 2wxj s VAL 192 N -0.57 1.34 -0.15 -1.59 1.01 -0.41 -3.70 120.40 116.33 2wxj s VAL 192 Ca 0.25 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 61.22 2wxj s VAL 192 Cb -0.16 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 2wxj s VAL 192 CO 0.13 0.19 0.02 0.21 0.00 0.00 0.00 175.10 175.65 2wxj s ASN 193 N -0.89 5.35 0.00 3.32 3.84 -0.04 -0.94 114.94 125.59 2wxj s ASN 193 Ca 0.05 0.06 0.02 0.00 0.21 0.00 0.00 52.86 53.20 2wxj s ASN 193 Cb -0.08 -1.80 -0.01 0.00 -0.55 0.00 0.00 41.25 38.82 2wxj s ASN 193 CO 0.01 0.24 -0.06 -0.69 -2.79 0.00 0.00 177.10 173.81 2wxj s VAL 194 N -0.02 0.44 0.33 -5.21 1.01 -0.29 -0.52 120.40 116.15 2wxj s VAL 194 Ca 0.04 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.74 2wxj s VAL 194 Cb -0.13 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.84 2wxj s VAL 194 CO 0.02 0.06 0.33 -1.59 0.00 0.00 0.00 175.10 173.92 2wxj s LYS 195 N -0.29 1.80 0.34 2.72 -2.85 -0.74 -0.78 119.74 119.93 2wxj s LYS 195 Ca 0.01 -1.96 0.09 0.00 -1.00 0.00 0.00 55.97 53.11 2wxj s LYS 195 Cb -0.03 0.35 -0.05 0.00 -2.06 0.00 0.00 37.83 36.05 2wxj s LYS 195 CO -0.00 -0.69 0.06 -0.06 0.10 0.00 0.00 175.35 174.76 2wxj s PHE 196 N -3.34 2.62 0.25 1.78 0.08 -1.26 -0.57 117.98 117.54 2wxj s PHE 196 Ca 0.38 -0.40 -0.03 0.00 0.12 0.00 0.00 56.93 57.00 2wxj s PHE 196 Cb 0.02 -1.53 0.47 0.00 -0.57 0.00 0.00 43.02 41.40 2wxj s PHE 196 CO 0.26 0.43 1.78 1.49 -0.10 0.00 0.00 175.22 179.08 2wxj h GLU 197 N 1.71 0.66 -0.22 0.44 4.81 -1.92 -3.16 114.58 116.90 2wxj h GLU 197 Ca -0.43 -0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 58.69 2wxj h GLU 197 Cb 1.25 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.44 2wxj h GLU 197 CO 0.65 0.44 -0.08 0.41 -0.73 0.00 0.00 179.01 179.70 2wxj n GLY 198 N -1.32 4.64 3.03 1.92 0.00 -1.26 -4.99 105.19 107.21 2wxj n GLY 198 Ca 0.15 -1.16 -0.10 0.00 0.00 0.00 0.00 46.02 44.91 2wxj n GLY 198 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wxj s SER 199 N -2.47 0.15 0.16 1.61 0.15 -1.20 -5.05 113.70 107.05 2wxj s SER 199 Ca 0.41 -0.37 0.23 0.00 0.70 0.00 0.00 55.95 56.92 2wxj s SER 199 Cb 0.36 0.14 0.11 0.00 -1.71 0.00 0.00 66.02 64.92 2wxj s SER 199 CO 0.03 -0.33 1.12 -0.62 1.20 0.00 0.00 173.24 174.64 2wxj n GLU 200 N 1.55 0.47 -1.92 5.44 4.71 -1.26 -4.45 120.64 125.18 2wxj n GLU 200 Ca -0.23 0.10 -0.41 0.00 -0.01 0.00 0.00 57.16 56.60 2wxj n GLU 200 Cb 0.55 -1.75 -0.01 0.00 -1.01 0.00 0.00 31.44 29.21 2wxj n GLU 200 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2wxj s GLU 201 N -3.28 4.21 0.11 3.49 2.02 -1.26 -5.00 118.70 118.99 2wxj s GLU 201 Ca 0.02 2.43 -0.05 0.00 0.02 0.00 0.00 54.97 57.39 2wxj s GLU 201 Cb 0.11 -3.04 -0.02 0.00 0.10 0.00 0.00 34.13 31.28 2wxj s GLU 201 CO 0.77 -0.46 0.13 -1.54 0.02 0.00 0.00 175.26 174.19 2wxj s SER 202 N 0.09 0.23 -0.04 -0.19 1.04 -1.26 -4.36 113.70 109.21 2wxj s SER 202 Ca 0.56 -0.95 0.04 0.00 0.48 0.00 0.00 55.95 56.08 2wxj s SER 202 Cb -0.44 0.33 -0.00 0.00 0.10 0.00 0.00 66.02 66.00 2wxj s SER 202 CO 0.52 -0.75 -0.15 -0.36 0.98 0.00 0.00 173.24 173.48 2wxj s PHE 203 N -3.96 1.49 -0.27 5.02 0.08 0.04 -4.97 117.98 115.41 2wxj s PHE 203 Ca 0.14 -0.42 -0.10 0.00 0.12 0.00 0.00 56.93 56.67 2wxj s PHE 203 Cb 0.06 -1.02 -0.05 0.00 -0.57 0.00 0.00 43.02 41.44 2wxj s PHE 203 CO -0.04 -0.16 0.17 0.99 -0.10 0.00 0.00 175.22 176.08 2wxj s THR 204 N 0.12 5.18 0.22 0.64 2.01 -1.26 -1.14 115.64 121.41 2wxj s THR 204 Ca -0.04 0.12 0.08 0.00 0.31 0.00 0.00 61.69 62.16 2wxj s THR 204 Cb -0.11 -3.45 -0.04 0.00 0.01 0.00 0.00 72.50 68.91 2wxj s THR 204 CO 0.02 0.28 0.02 -0.36 -0.69 0.00 0.00 174.62 173.89 2wxj s PHE 205 N 1.57 2.82 -0.23 4.92 0.08 -0.11 -4.96 117.98 122.06 2wxj s PHE 205 Ca 0.07 -0.17 -0.05 0.00 0.12 0.00 0.00 56.93 56.90 2wxj s PHE 205 Cb -0.15 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2wxj s PHE 205 CO 0.09 0.56 0.01 -1.14 -0.10 0.00 0.00 175.22 174.63 2wxj s GLN 206 N -3.32 3.51 0.21 0.44 0.74 -1.26 -1.29 119.66 118.69 2wxj s GLN 206 Ca 0.30 -0.56 0.01 0.00 0.05 0.00 0.00 55.36 55.16 2wxj s GLN 206 Cb -0.08 -3.14 -0.00 0.00 1.10 0.00 0.00 33.01 30.88 2wxj s GLN 206 CO 0.20 -0.18 0.04 1.33 -0.55 0.00 0.00 175.29 176.12 2wxj n VAL 207 N 4.81 0.00 -4.20 1.34 0.24 -0.09 -4.96 118.33 115.47 2wxj n VAL 207 Ca -0.17 -1.10 -0.35 0.00 -2.04 0.00 0.00 64.34 60.68 2wxj n VAL 207 Cb 0.51 0.31 -0.09 0.00 -1.47 0.00 0.00 33.84 33.10 2wxj n VAL 207 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 2wxj s SER 208 N -2.21 5.50 0.00 -1.34 0.15 -1.26 -0.61 113.70 113.92 2wxj s SER 208 Ca 0.05 0.17 0.00 0.00 0.70 0.00 0.00 55.95 56.87 2wxj s SER 208 Cb 0.00 -1.72 0.00 0.00 -1.71 0.00 0.00 66.02 62.59 2wxj s SER 208 CO 0.04 0.32 0.82 0.35 1.20 0.00 0.00 173.24 175.96 2wxj n THR 209 N 2.55 1.32 0.17 6.45 -2.24 0.84 -1.21 114.28 122.16 2wxj n THR 209 Ca -0.18 0.45 0.11 0.00 -2.27 0.00 0.00 64.05 62.16 2wxj n THR 209 Cb 0.53 -1.45 -0.12 0.00 -2.10 0.00 0.00 70.33 67.19 2wxj n THR 209 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2wxj n LYS 210 N -1.32 0.54 -2.30 -0.78 4.81 -1.26 -2.77 118.16 115.08 2wxj n LYS 210 Ca 0.00 -0.11 -0.38 0.00 -0.87 0.00 0.00 58.31 56.94 2wxj n LYS 210 Cb 0.12 -1.57 -0.02 0.00 0.02 0.00 0.00 35.03 33.59 2wxj n LYS 210 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 2wxj s ASP 211 N -4.41 6.55 0.63 3.14 1.01 -0.35 -4.54 116.67 118.70 2wxj s ASP 211 Ca -0.04 2.35 -0.11 0.00 0.71 0.00 0.00 52.55 55.46 2wxj s ASP 211 Cb 0.14 -2.61 -0.03 0.00 1.01 0.00 0.00 42.92 41.43 2wxj s ASP 211 CO 0.88 -0.66 1.03 -0.04 0.21 0.00 0.00 175.17 176.60 2wxj s MET 212 N -2.27 3.42 0.62 8.23 -1.94 -1.26 -2.04 119.30 124.06 2wxj s MET 212 Ca 0.57 0.65 0.32 0.00 -1.71 0.00 0.00 55.69 55.51 2wxj s MET 212 Cb -0.31 -2.08 1.76 0.00 2.01 0.00 0.00 34.83 36.22 2wxj s MET 212 CO 0.39 -0.66 2.08 -1.35 -0.01 0.00 0.00 175.02 175.46 2wxj h PRO 213 N -0.37 0.00 -0.04 2.03 0.11 -1.79 -1.97 132.00 129.97 2wxj h PRO 213 Ca -0.44 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.55 2wxj h PRO 213 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2wxj h PRO 213 CO 0.62 0.00 -0.52 1.25 -0.21 0.00 0.00 178.00 179.14 2wxj h LEU 214 N 0.00 0.12 -0.04 2.35 5.85 -1.91 -1.42 115.31 120.25 2wxj h LEU 214 Ca 0.06 -0.06 -0.26 0.00 0.84 0.00 0.00 57.88 58.47 2wxj h LEU 214 Cb 0.52 -0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.53 2wxj h LEU 214 CO -0.00 0.62 -1.06 0.00 -0.34 0.00 0.00 178.44 177.66 2wxj h ALA 215 N 1.38 0.21 -0.47 1.25 0.00 -1.73 -0.35 119.26 119.56 2wxj h ALA 215 Ca -0.00 -0.74 -0.07 0.00 0.00 0.00 0.00 54.91 54.09 2wxj h ALA 215 Cb 0.95 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wxj h ALA 215 CO 0.07 0.78 0.01 1.25 0.00 0.00 0.00 179.25 181.36 2wxj h LEU 216 N 0.25 0.81 -0.45 0.00 6.46 -1.57 -0.10 115.31 120.71 2wxj h LEU 216 Ca -0.12 -0.30 -0.04 0.00 -0.12 0.00 0.00 57.88 57.29 2wxj h LEU 216 Cb 1.72 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 41.42 2wxj h LEU 216 CO 0.19 0.91 0.10 0.24 -0.62 0.00 0.00 178.44 179.27 2wxj h MET 217 N 0.68 0.72 -0.36 1.25 2.86 -1.14 -0.04 114.93 118.89 2wxj h MET 217 Ca 0.13 -0.18 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 2wxj h MET 217 Cb 0.50 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 32.05 2wxj h MET 217 CO 0.02 0.72 0.17 0.00 1.06 0.00 0.00 176.91 178.88 2wxj h ALA 218 N 0.97 1.62 -0.20 6.32 0.00 -0.92 -1.23 119.26 125.82 2wxj h ALA 218 Ca 0.14 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.92 2wxj h ALA 218 Cb 0.33 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2wxj h ALA 218 CO 0.00 0.31 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 2wxj h ALA 220 N 0.74 1.54 -0.00 0.00 0.00 -0.16 -2.57 119.26 118.81 2wxj h ALA 220 Ca 0.05 -0.15 -0.17 0.00 0.00 0.00 0.00 54.91 54.64 2wxj h ALA 220 Cb 0.49 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2wxj h ALA 220 CO 0.02 0.34 -0.78 -0.07 0.00 0.00 0.00 179.25 178.76 2wxj h LEU 221 N 0.38 0.03 0.06 0.00 3.38 -1.27 -2.69 115.31 115.20 2wxj h LEU 221 Ca 0.09 -0.02 0.01 0.00 0.09 0.00 0.00 57.88 58.04 2wxj h LEU 221 Cb 0.24 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 2wxj h LEU 221 CO 0.00 0.80 -0.09 0.03 0.09 0.00 0.00 178.44 179.27 2wxj h ARG 222 N 0.01 -0.18 -0.39 1.13 3.08 -1.24 -1.99 114.38 114.81 2wxj h ARG 222 Ca -0.01 0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wxj h ARG 222 Cb 1.38 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.45 2wxj h ARG 222 CO 0.10 -0.12 0.15 -0.22 -1.07 0.00 0.00 179.97 178.82 2wxj h LYS 223 N -0.19 0.55 -0.11 0.04 3.11 -1.43 -1.21 116.57 117.34 2wxj h LYS 223 Ca 0.01 -0.07 -0.02 0.00 -2.81 0.00 0.00 60.65 57.76 2wxj h LYS 223 Cb 0.19 -0.11 -0.00 0.00 -1.00 0.00 0.00 32.23 31.31 2wxj h LYS 223 CO -0.04 0.46 -0.02 -0.22 -2.81 0.00 0.00 179.45 176.82 2wxj h LYS 224 N 0.55 0.20 0.00 1.90 3.64 -1.42 -1.52 116.57 119.92 2wxj h LYS 224 Ca 0.14 -0.07 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 2wxj h LYS 224 Cb 0.12 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.92 2wxj h LYS 224 CO -0.01 0.48 -0.08 0.00 -2.27 0.00 0.00 179.45 177.57 2wxj h ALA 225 N 0.71 1.85 0.04 5.00 0.00 -0.82 0.34 119.26 126.38 2wxj h ALA 225 Ca 0.03 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2wxj h ALA 225 Cb 0.41 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2wxj h ALA 225 CO 0.01 0.10 -0.28 1.79 0.00 0.00 0.00 179.25 180.87 2wxj h THR 226 N 0.00 1.66 -0.53 0.00 1.35 -1.21 1.23 112.91 115.41 2wxj h THR 226 Ca -0.00 -2.31 -0.02 0.00 -0.55 0.00 0.00 66.41 63.53 2wxj h THR 226 Cb 0.15 3.20 -0.02 0.00 -1.73 0.00 0.00 68.15 69.75 2wxj h THR 226 CO 0.01 0.62 0.25 0.58 -0.25 0.00 0.00 175.52 176.74 2wxj h VAL 227 N -0.71 1.20 -0.21 6.82 2.07 -1.03 -2.10 116.25 122.29 2wxj h VAL 227 Ca -0.05 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.91 2wxj h VAL 227 Cb 1.18 0.59 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 2wxj h VAL 227 CO 0.05 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.36 2wxj n PHE 228 N -4.58 0.71 -1.15 1.57 3.01 0.12 -4.89 117.46 112.24 2wxj n PHE 228 Ca 0.02 -0.25 -0.08 0.00 1.01 0.00 0.00 57.45 58.15 2wxj n PHE 228 Cb 0.12 -0.22 -0.04 0.00 -0.01 0.00 0.00 39.48 39.33 2wxj n PHE 228 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wxj n ARG 229 N 0.23 -1.70 -1.47 -1.08 5.12 -0.79 -4.97 116.66 112.01 2wxj n ARG 229 Ca 0.10 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.72 2wxj n ARG 229 Cb 0.55 -4.93 0.00 0.00 -1.16 0.00 0.00 32.46 26.92 2wxj n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxj n GLN 230 N -0.63 -4.00 -2.11 5.56 7.27 0.42 -4.95 117.38 118.95 2wxj n GLN 230 Ca -0.08 3.06 0.00 0.00 0.07 0.00 0.00 57.00 60.04 2wxj n GLN 230 Cb 0.48 -3.67 0.00 0.00 2.41 0.00 0.00 30.24 29.46 2wxj n GLN 230 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2wxj n GLN 235 N -1.93 -0.41 0.05 3.69 3.00 -1.26 -5.11 117.38 115.42 2wxj n GLN 235 Ca 0.00 0.39 0.02 0.00 -0.01 0.00 0.00 57.00 57.40 2wxj n GLN 235 Cb 0.28 -0.54 0.38 0.00 0.00 0.00 0.00 30.24 30.36 2wxj n GLN 235 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.06 175.71 2wxj h PRO 236 N 4.18 0.41 0.00 -1.09 0.11 -1.92 -3.15 132.00 130.53 2wxj h PRO 236 Ca 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 66.00 66.04 2wxj h PRO 236 Cb 0.00 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 31.04 2wxj h PRO 236 CO 0.00 0.41 0.00 0.39 -0.21 0.00 0.00 178.00 178.59 2wxj n GLU 237 N -4.35 0.50 -0.27 1.05 4.71 -1.26 -1.71 120.64 119.32 2wxj n GLU 237 Ca 0.01 0.00 0.11 0.00 -0.01 0.00 0.00 57.16 57.27 2wxj n GLU 237 Cb 0.19 -1.31 0.25 0.00 -1.01 0.00 0.00 31.44 29.57 2wxj n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxj n GLU 238 N -0.81 2.59 -4.28 3.49 1.02 -1.19 -4.97 120.64 116.49 2wxj n GLU 238 Ca 0.07 -2.41 -0.17 0.00 -0.02 0.00 0.00 57.16 54.63 2wxj n GLU 238 Cb 0.03 -1.51 -0.10 0.00 -0.02 0.00 0.00 31.44 29.84 2wxj n GLU 238 CO 0.00 0.00 0.00 0.71 1.18 0.00 0.00 177.13 179.02 2wxj s TYR 239 N -1.19 1.49 0.19 -0.32 2.02 -0.69 0.48 117.35 119.32 2wxj s TYR 239 Ca 0.41 -0.61 0.07 0.00 -0.37 0.00 0.00 57.07 56.57 2wxj s TYR 239 Cb 0.23 -0.74 -0.05 0.00 -0.40 0.00 0.00 41.96 41.00 2wxj s TYR 239 CO 0.30 0.21 -0.14 0.00 -1.57 0.00 0.00 175.55 174.36 2wxj s ALA 240 N -2.71 1.87 -0.34 3.71 0.00 -0.33 -4.97 121.76 118.99 2wxj s ALA 240 Ca 0.16 -1.60 -0.12 0.00 0.00 0.00 0.00 51.96 50.40 2wxj s ALA 240 Cb -0.02 -0.06 -0.01 0.00 0.00 0.00 0.00 23.12 23.03 2wxj s ALA 240 CO 0.04 0.04 0.22 -0.51 0.00 0.00 0.00 175.76 175.55 2wxj s LEU 241 N -3.22 4.47 0.15 0.00 1.43 -1.02 -0.68 118.68 119.81 2wxj s LEU 241 Ca 0.20 -0.52 -0.24 0.00 -1.03 0.00 0.00 54.13 52.55 2wxj s LEU 241 Cb -0.00 -2.10 -0.08 0.00 0.03 0.00 0.00 46.19 44.04 2wxj s LEU 241 CO 0.05 -0.25 0.73 -1.58 0.23 0.00 0.00 176.35 175.53 2wxj s GLN 242 N 1.68 4.47 0.10 1.70 0.74 0.05 0.10 119.66 128.49 2wxj s GLN 242 Ca 0.05 1.05 -0.31 0.00 0.05 0.00 0.00 55.36 56.20 2wxj s GLN 242 Cb -0.18 -3.22 -0.07 0.00 1.10 0.00 0.00 33.01 30.65 2wxj s GLN 242 CO 0.09 0.57 1.29 0.08 -0.55 0.00 0.00 175.29 176.77 2wxj s VAL 243 N -1.18 3.66 0.13 1.34 1.01 0.11 -0.87 120.40 124.60 2wxj s VAL 243 Ca 0.35 1.21 -0.33 0.00 0.00 0.00 0.00 61.98 63.21 2wxj s VAL 243 Cb -0.22 -3.77 -0.13 0.00 0.00 0.00 0.00 36.38 32.26 2wxj s VAL 243 CO 0.24 0.10 1.70 0.59 0.00 0.00 0.00 175.10 177.73 2wxj n ASN 244 N 3.81 3.48 -0.12 3.32 3.02 -1.03 -2.59 115.26 125.14 2wxj n ASN 244 Ca 0.10 1.04 -0.02 0.00 -0.03 0.00 0.00 54.58 55.67 2wxj n ASN 244 Cb 0.44 -1.47 -0.01 0.00 -0.61 0.00 0.00 39.78 38.14 2wxj n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wxj n GLY 245 N 3.81 0.38 3.42 7.41 0.00 -1.26 -4.35 105.19 114.60 2wxj n GLY 245 Ca 0.18 -0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.91 2wxj n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxj s ARG 246 N -1.34 1.52 -1.27 1.61 0.52 -1.07 -4.45 118.95 114.47 2wxj s ARG 246 Ca 0.00 -1.74 -0.11 0.00 -0.52 0.00 0.00 55.73 53.36 2wxj s ARG 246 Cb 0.00 -1.25 0.16 0.00 0.52 0.00 0.00 34.95 34.38 2wxj s ARG 246 CO 0.00 0.12 1.76 0.72 0.02 0.00 0.00 175.30 177.92 2wxj n HIS 247 N -0.54 3.61 -3.71 -0.53 8.25 -0.43 -4.64 115.22 117.22 2wxj n HIS 247 Ca -0.06 -2.97 -0.12 0.00 -0.26 0.00 0.00 57.72 54.31 2wxj n HIS 247 Cb 0.62 -2.06 -0.10 0.00 1.12 0.00 0.00 29.99 29.57 2wxj n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxj s GLU 248 N 0.96 0.49 0.05 -0.41 2.12 -1.26 -4.54 118.70 116.10 2wxj s GLU 248 Ca 0.41 0.69 0.03 0.00 0.36 0.00 0.00 54.97 56.47 2wxj s GLU 248 Cb 0.06 0.16 -0.02 0.00 0.26 0.00 0.00 34.13 34.59 2wxj s GLU 248 CO 0.00 -0.10 -0.10 0.71 -0.54 0.00 0.00 175.26 175.24 2wxj s TYR 249 N 0.65 0.82 -0.23 5.30 1.51 -1.26 0.05 117.35 124.19 2wxj s TYR 249 Ca -0.03 -0.47 -0.03 0.00 -1.01 0.00 0.00 57.07 55.53 2wxj s TYR 249 Cb -0.05 -0.48 0.00 0.00 -0.11 0.00 0.00 41.96 41.32 2wxj s TYR 249 CO -0.04 -0.04 -0.05 -0.51 -1.11 0.00 0.00 175.55 173.80 2wxj s LEU 250 N -1.55 2.97 0.31 -1.29 1.02 0.29 -4.78 118.68 115.65 2wxj s LEU 250 Ca -0.07 -0.54 -0.19 0.00 0.02 0.00 0.00 54.13 53.35 2wxj s LEU 250 Cb -0.10 -1.71 0.03 0.00 0.02 0.00 0.00 46.19 44.43 2wxj s LEU 250 CO 0.01 -0.06 0.72 -0.72 0.02 0.00 0.00 176.35 176.32 2wxj s TYR 251 N 1.43 -0.06 0.00 0.29 -0.85 -1.26 -2.43 117.35 114.47 2wxj s TYR 251 Ca 0.04 -0.45 0.00 0.00 -0.52 0.00 0.00 57.07 56.14 2wxj s TYR 251 Cb -0.15 0.70 0.00 0.00 0.38 0.00 0.00 41.96 42.89 2wxj s TYR 251 CO -0.04 -1.31 0.00 0.41 -1.52 0.00 0.00 175.55 173.09 2wxj n GLY 252 N -0.48 0.23 3.48 5.49 0.00 -1.26 -4.75 105.19 107.90 2wxj n GLY 252 Ca -0.05 -1.81 -0.44 0.00 0.00 0.00 0.00 46.02 43.73 2wxj n GLY 252 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxj s ASN 253 N -1.72 6.90 -0.02 1.61 0.01 -1.26 -4.49 114.94 115.97 2wxj s ASN 253 Ca 0.00 -2.61 -0.03 0.00 -0.71 0.00 0.00 52.86 49.51 2wxj s ASN 253 Cb 0.00 -2.44 0.00 0.00 0.41 0.00 0.00 41.25 39.23 2wxj s ASN 253 CO 0.00 -0.93 0.08 -0.31 -1.51 0.00 0.00 177.10 174.43 2wxj s TYR 254 N 2.42 -0.05 0.44 2.20 2.02 -1.26 -5.11 117.35 118.01 2wxj s TYR 254 Ca 0.42 0.12 -0.24 0.00 -0.37 0.00 0.00 57.07 57.01 2wxj s TYR 254 Cb -0.02 0.00 -0.08 0.00 -0.40 0.00 0.00 41.96 41.47 2wxj s TYR 254 CO -0.02 -0.08 1.18 -2.14 -1.57 0.00 0.00 175.55 172.92 2wxj s PRO 255 N -0.24 3.84 0.39 -1.71 0.02 -1.26 -4.03 135.00 132.02 2wxj s PRO 255 Ca -0.03 1.82 0.18 0.00 0.02 0.00 0.00 61.00 62.99 2wxj s PRO 255 Cb -0.02 -2.50 1.11 0.00 0.02 0.00 0.00 34.50 33.10 2wxj s PRO 255 CO 0.00 -0.49 1.76 -0.07 -0.33 0.00 0.00 177.00 177.87 2wxj h LEU 256 N 2.24 0.45 0.00 -5.54 3.38 -1.44 0.23 115.31 114.63 2wxj h LEU 256 Ca -0.49 0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.57 2wxj h LEU 256 Cb 1.24 0.02 0.00 0.00 0.09 0.00 0.00 40.66 42.01 2wxj h LEU 256 CO 0.61 0.07 0.00 0.00 0.09 0.00 0.00 178.44 179.21 2wxj n HIS 258 N -1.24 0.16 -2.76 0.00 8.25 0.80 -4.45 115.22 115.98 2wxj n HIS 258 Ca 0.07 0.05 -0.42 0.00 -0.26 0.00 0.00 57.72 57.15 2wxj n HIS 258 Cb 0.09 -0.32 -0.03 0.00 1.12 0.00 0.00 29.99 30.85 2wxj n HIS 258 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2wxj s PHE 259 N -3.16 3.54 0.29 4.41 0.08 -0.76 -0.54 117.98 121.85 2wxj s PHE 259 Ca 0.04 1.53 0.02 0.00 0.12 0.00 0.00 56.93 58.64 2wxj s PHE 259 Cb 0.15 -3.10 0.73 0.00 -0.57 0.00 0.00 43.02 40.22 2wxj s PHE 259 CO 0.81 -0.15 1.62 1.96 -0.10 0.00 0.00 175.22 179.37 2wxj h GLN 260 N 7.03 0.13 0.25 0.44 4.20 -1.21 -0.00 115.11 125.95 2wxj h GLN 260 Ca -0.34 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.35 2wxj h GLN 260 Cb 1.17 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.92 2wxj h GLN 260 CO 0.82 0.08 -0.12 -0.92 -0.67 0.00 0.00 178.83 178.02 2wxj h TYR 261 N 0.13 -0.31 -0.16 2.96 3.20 -1.92 0.45 116.97 121.31 2wxj h TYR 261 Ca 0.57 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 62.43 2wxj h TYR 261 Cb 1.17 0.10 -0.01 0.00 1.54 0.00 0.00 36.73 39.53 2wxj h TYR 261 CO -0.33 -0.11 0.09 0.82 -1.64 0.00 0.00 178.16 176.99 2wxj h ILE 262 N -0.45 1.07 -0.50 1.81 1.08 -1.66 -0.97 117.51 117.88 2wxj h ILE 262 Ca -0.03 -0.18 0.09 0.00 -0.39 0.00 0.00 64.86 64.35 2wxj h ILE 262 Cb 0.34 0.91 -0.08 0.00 -3.07 0.00 0.00 36.82 34.92 2wxj h ILE 262 CO 0.06 0.07 0.03 0.00 -0.69 0.00 0.00 178.15 177.62 2wxj h SER 264 N 0.15 0.92 -0.84 0.00 0.87 0.17 -2.97 113.55 111.84 2wxj h SER 264 Ca 0.25 -0.12 -0.02 0.00 -1.23 0.00 0.00 61.79 60.67 2wxj h SER 264 Cb 0.38 -0.24 -0.04 0.00 -0.44 0.00 0.00 62.40 62.06 2wxj h SER 264 CO -0.39 0.81 0.44 0.00 -0.53 0.00 0.00 176.83 177.16 2wxj h LEU 266 N 1.18 0.49 -0.86 0.00 3.38 -1.20 -2.30 115.31 116.00 2wxj h LEU 266 Ca 0.29 -0.01 -0.12 0.00 0.09 0.00 0.00 57.88 58.14 2wxj h LEU 266 Cb 0.06 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2wxj h LEU 266 CO -0.04 0.35 -0.42 0.45 0.09 0.00 0.00 178.44 178.87 2wxj h HIS 267 N 0.59 0.38 -0.01 1.13 3.86 -1.44 -3.04 115.15 116.62 2wxj h HIS 267 Ca 0.17 -0.11 0.00 0.00 -1.16 0.00 0.00 60.37 59.28 2wxj h HIS 267 Cb -0.04 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.35 2wxj h HIS 267 CO -0.05 0.69 -0.30 -1.13 0.86 0.00 0.00 177.93 178.00 2wxj n SER 268 N -4.02 1.12 0.00 2.45 3.41 -1.06 -4.97 113.62 110.56 2wxj n SER 268 Ca -0.02 -0.94 0.00 0.00 -0.26 0.00 0.00 58.87 57.65 2wxj n SER 268 Cb 0.50 0.19 0.00 0.00 -0.26 0.00 0.00 64.21 64.63 2wxj n SER 268 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wxj n GLY 269 N 1.36 2.99 3.25 5.00 0.00 -0.89 -5.06 105.19 111.84 2wxj n GLY 269 Ca 0.11 -0.81 -0.36 0.00 0.00 0.00 0.00 46.02 44.97 2wxj n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxj n LEU 270 N 0.00 -2.64 -4.61 0.99 4.32 -1.08 -4.82 117.00 109.16 2wxj n LEU 270 Ca 0.00 0.41 -0.40 0.00 -0.02 0.00 0.00 56.01 55.99 2wxj n LEU 270 Cb 0.00 -0.98 -0.07 0.00 -1.62 0.00 0.00 43.42 40.75 2wxj n LEU 270 CO 0.00 -4.57 0.31 -0.89 -1.22 0.00 0.00 177.39 171.03 2wxj s THR 271 N -2.05 5.01 0.28 -5.08 2.01 -1.26 -4.49 115.64 110.06 2wxj s THR 271 Ca 0.53 0.89 -0.30 0.00 0.31 0.00 0.00 61.69 63.12 2wxj s THR 271 Cb -0.29 -3.90 -0.13 0.00 0.01 0.00 0.00 72.50 68.18 2wxj s THR 271 CO 0.70 -0.01 1.33 -0.81 -0.69 0.00 0.00 174.62 175.14 2wxj n PRO 272 N 5.68 2.01 -4.10 4.92 -0.04 -1.24 -4.79 135.00 137.44 2wxj n PRO 272 Ca -0.03 0.71 -0.32 0.00 -0.04 0.00 0.00 63.50 63.82 2wxj n PRO 272 Cb 0.49 -2.31 -0.16 0.00 -0.04 0.00 0.00 33.50 31.48 2wxj n PRO 272 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2wxj s HIS 273 N -0.54 2.66 0.05 0.54 3.76 -1.26 -0.86 115.29 119.65 2wxj s HIS 273 Ca 0.62 -1.57 0.04 0.00 -0.15 0.00 0.00 55.06 54.01 2wxj s HIS 273 Cb -0.62 -1.85 -0.03 0.00 1.11 0.00 0.00 32.58 31.19 2wxj s HIS 273 CO 0.55 -0.78 -0.12 -0.51 -0.85 0.00 0.00 174.74 173.03 2wxj s LEU 274 N 1.33 2.24 -0.10 0.89 1.43 0.33 -2.46 118.68 122.32 2wxj s LEU 274 Ca 0.05 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.62 2wxj s LEU 274 Cb -0.13 -0.45 -0.01 0.00 0.03 0.00 0.00 46.19 45.63 2wxj s LEU 274 CO -0.12 -0.07 -0.17 -0.89 0.23 0.00 0.00 176.35 175.32 2wxj s THR 275 N -1.15 2.73 -0.23 5.49 2.01 -0.05 -1.79 115.64 122.65 2wxj s THR 275 Ca -0.03 -0.79 -0.29 0.00 0.31 0.00 0.00 61.69 60.89 2wxj s THR 275 Cb -0.09 -2.10 -0.01 0.00 0.01 0.00 0.00 72.50 70.31 2wxj s THR 275 CO 0.02 0.55 1.39 -0.04 -0.69 0.00 0.00 174.62 175.84 2wxj s MET 276 N 0.14 3.99 -0.14 4.92 -1.94 0.26 -0.77 119.30 125.76 2wxj s MET 276 Ca -0.09 1.52 0.01 0.00 -1.71 0.00 0.00 55.69 55.42 2wxj s MET 276 Cb -0.15 -3.89 -0.00 0.00 2.01 0.00 0.00 34.83 32.79 2wxj s MET 276 CO 0.05 -1.03 -0.16 0.08 -0.01 0.00 0.00 175.02 173.96 2wxj s VAL 277 N 4.30 2.68 0.47 -6.03 1.01 0.14 -3.10 120.40 119.86 2wxj s VAL 277 Ca 0.60 -0.78 -0.20 0.00 0.00 0.00 0.00 61.98 61.60 2wxj s VAL 277 Cb -0.21 -2.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.96 2wxj s VAL 277 CO 0.23 0.52 1.01 -2.28 0.00 0.00 0.00 175.10 174.58 2wxj s HIS 278 N 0.67 3.09 0.32 5.22 2.46 -1.26 -1.19 115.29 124.59 2wxj s HIS 278 Ca -0.08 1.59 0.04 0.00 0.47 0.00 0.00 55.06 57.08 2wxj s HIS 278 Cb -0.16 -3.00 0.64 0.00 -0.13 0.00 0.00 32.58 29.94 2wxj s HIS 278 CO 0.02 -0.62 1.88 0.66 -2.47 0.00 0.00 174.74 174.21 2wxj h SER 279 N 1.66 0.82 0.07 9.88 4.64 -0.35 -0.40 113.55 129.88 2wxj h SER 279 Ca -0.49 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.85 2wxj h SER 279 Cb 1.21 -0.14 -0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2wxj h SER 279 CO 0.60 0.46 -0.06 0.77 -0.87 0.00 0.00 176.83 177.73 2wxj h SER 280 N 0.89 0.00 0.79 4.97 4.64 -1.93 -1.41 113.55 121.50 2wxj h SER 280 Ca 0.44 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.51 2wxj h SER 280 Cb 0.47 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.54 2wxj h SER 280 CO -0.20 0.06 -1.20 -1.28 -0.87 0.00 0.00 176.83 173.33 2wxj h SER 281 N 0.00 0.16 -0.25 4.97 0.87 -1.45 -3.03 113.55 114.82 2wxj h SER 281 Ca -0.00 -0.19 -0.18 0.00 -1.23 0.00 0.00 61.79 60.19 2wxj h SER 281 Cb 0.11 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 62.02 2wxj h SER 281 CO 0.01 1.15 -0.54 0.40 -0.53 0.00 0.00 176.83 177.31 2wxj h ILE 282 N 0.03 1.29 -0.11 2.23 2.04 -1.07 -3.01 117.51 118.90 2wxj h ILE 282 Ca -0.10 -1.74 -0.02 0.00 1.00 0.00 0.00 64.86 64.00 2wxj h ILE 282 Cb 1.88 1.75 -0.01 0.00 -0.74 0.00 0.00 36.82 39.70 2wxj h ILE 282 CO 0.15 0.56 -0.01 -0.07 0.00 0.00 0.00 178.15 178.78 2wxj h LEU 283 N 0.55 0.14 -1.23 1.44 3.38 -1.36 -0.94 115.31 117.31 2wxj h LEU 283 Ca 0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2wxj h LEU 283 Cb 1.16 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.86 2wxj h LEU 283 CO 0.12 0.18 -0.33 0.00 0.09 0.00 0.00 178.44 178.51 2wxj h ALA 284 N 1.84 1.16 -0.08 1.53 0.00 -1.44 -1.45 119.26 120.82 2wxj h ALA 284 Ca 0.04 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2wxj h ALA 284 Cb 0.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2wxj h ALA 284 CO 0.00 0.41 -0.06 0.52 0.00 0.00 0.00 179.25 180.12 2wxj h MET 285 N 0.00 0.19 -0.24 0.00 2.86 -1.06 -2.46 114.93 114.22 2wxj h MET 285 Ca -0.00 -0.09 0.05 0.00 -2.06 0.00 0.00 59.70 57.59 2wxj h MET 285 Cb 0.72 0.00 -0.05 0.00 0.06 0.00 0.00 31.60 32.33 2wxj h MET 285 CO 0.04 0.59 -0.07 -0.09 1.06 0.00 0.00 176.91 178.45 2wxj h ARG 286 N -0.22 -0.01 -0.66 1.72 2.43 -1.29 -2.79 114.38 113.57 2wxj h ARG 286 Ca 0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.14 2wxj h ARG 286 Cb 0.55 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.07 2wxj h ARG 286 CO 0.02 -0.01 0.23 -0.44 -1.51 0.00 0.00 179.97 178.27 2wxj h ASP 287 N -0.01 0.94 0.45 -3.80 3.32 -1.29 -1.13 116.42 114.91 2wxj h ASP 287 Ca 0.12 -0.19 0.00 0.00 0.02 0.00 0.00 57.03 56.98 2wxj h ASP 287 Cb 0.19 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 39.49 2wxj h ASP 287 CO -0.25 0.88 0.00 1.05 -1.72 0.00 0.00 179.24 179.19 2wxj h GLU 288 N 0.95 0.00 -0.30 3.56 4.11 -1.32 -2.88 114.58 118.70 2wxj h GLU 288 Ca 0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.65 2wxj h GLU 288 Cb 0.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2wxj h GLU 288 CO -0.01 0.00 0.00 1.04 0.07 0.00 0.00 179.01 180.11 2wxj n GLN 289 N -2.45 2.34 -1.11 1.06 6.02 -0.43 -4.99 117.38 117.81 2wxj n GLN 289 Ca 0.00 -2.01 -0.33 0.00 -0.01 0.00 0.00 57.00 54.65 2wxj n GLN 289 Cb 0.16 -1.49 0.13 0.00 1.02 0.00 0.00 30.24 30.06 2wxj n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxj s SER 290 N -1.57 3.62 0.00 1.08 1.04 -1.09 -4.40 113.70 112.38 2wxj s SER 290 Ca 0.36 2.31 0.00 0.00 0.48 0.00 0.00 55.95 59.11 2wxj s SER 290 Cb 0.21 -2.58 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2wxj s SER 290 CO 0.31 -2.64 0.00 0.59 0.98 0.00 0.00 173.24 172.47 2wxj n ASN 291 N -3.36 0.00 0.00 7.02 5.03 -1.26 -4.78 115.26 117.91 2wxj n ASN 291 Ca 0.13 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.58 2wxj n ASN 291 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2wxj n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxj n LEU 316 N 0.00 0.00 0.00 3.41 -0.00 -1.23 -5.10 117.00 114.08 2wxj n LEU 316 Ca 0.00 0.00 0.09 0.00 -0.00 0.00 0.00 56.01 56.10 2wxj n LEU 316 Cb 0.00 0.00 0.55 0.00 -0.00 0.00 0.00 43.42 43.97 2wxj n LEU 316 CO 0.00 0.00 0.77 -2.67 -0.00 0.00 0.00 177.39 175.49 2wxj n TRP 317 N 0.00 0.00 -0.09 1.47 4.27 -1.26 -3.99 117.44 117.85 2wxj n TRP 317 Ca 0.00 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.51 2wxj n TRP 317 Cb 0.00 -0.04 -0.03 0.00 -1.36 0.00 0.00 31.31 29.88 2wxj n TRP 317 CO 0.00 0.00 0.00 0.77 -2.29 0.00 0.00 177.69 176.17 2wxj h SER 318 N 0.00 0.40 -1.60 -0.67 0.02 -1.99 -3.42 113.55 106.29 2wxj h SER 318 Ca 0.00 -0.20 -0.46 0.00 -0.84 0.00 0.00 61.79 60.29 2wxj h SER 318 Cb 0.02 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 62.41 2wxj h SER 318 CO 0.00 0.50 1.15 -0.76 -1.14 0.00 0.00 176.83 176.57 2wxj s LEU 319 N -9.73 3.26 0.05 5.07 1.43 -1.26 -4.81 118.68 112.69 2wxj s LEU 319 Ca -0.13 -0.28 0.24 0.00 -1.03 0.00 0.00 54.13 52.93 2wxj s LEU 319 Cb 0.08 -2.55 0.31 0.00 0.03 0.00 0.00 46.19 44.06 2wxj s LEU 319 CO 0.73 -2.29 1.27 -0.62 0.23 0.00 0.00 176.35 175.67 2wxj n GLU 320 N 9.10 0.18 -1.61 1.70 1.02 -1.26 0.50 120.64 130.27 2wxj n GLU 320 Ca 0.24 0.03 -0.34 0.00 -0.02 0.00 0.00 57.16 57.07 2wxj n GLU 320 Cb 0.50 -1.59 0.07 0.00 -0.02 0.00 0.00 31.44 30.40 2wxj n GLU 320 CO 0.00 0.00 0.00 1.14 1.18 0.00 0.00 177.13 179.45 2wxj s GLN 321 N -3.11 2.48 0.77 3.49 0.00 -1.26 -4.58 119.66 117.45 2wxj s GLN 321 Ca 0.07 1.59 -0.15 0.00 -0.00 0.00 0.00 55.36 56.88 2wxj s GLN 321 Cb 0.15 -1.89 0.03 0.00 0.00 0.00 0.00 33.01 31.30 2wxj s GLN 321 CO 0.74 -1.54 0.98 -2.30 0.00 0.00 0.00 175.29 173.17 2wxj n PRO 322 N -2.53 0.32 -2.63 9.60 -0.02 -1.26 -1.37 135.00 137.12 2wxj n PRO 322 Ca 0.12 0.17 -0.33 0.00 -2.02 0.00 0.00 63.50 61.45 2wxj n PRO 322 Cb 0.51 -2.24 -0.05 0.00 -0.02 0.00 0.00 33.50 31.70 2wxj n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxj s PHE 323 N -1.97 3.38 -0.04 6.00 5.36 -0.33 -4.59 117.98 125.78 2wxj s PHE 323 Ca 0.72 1.53 -0.29 0.00 -0.96 0.00 0.00 56.93 57.92 2wxj s PHE 323 Cb -0.32 -2.81 0.10 0.00 -0.34 0.00 0.00 43.02 39.65 2wxj s PHE 323 CO 0.52 -0.23 0.84 -1.54 -1.46 0.00 0.00 175.22 173.35 2wxj s SER 324 N -2.62 -0.46 0.13 6.13 1.04 -1.26 0.18 113.70 116.84 2wxj s SER 324 Ca 0.60 0.29 0.04 0.00 0.48 0.00 0.00 55.95 57.36 2wxj s SER 324 Cb -0.09 0.42 -0.04 0.00 0.10 0.00 0.00 66.02 66.40 2wxj s SER 324 CO 0.22 -0.57 -0.10 0.27 0.98 0.00 0.00 173.24 174.04 2wxj s ILE 325 N -2.12 1.05 -0.25 -1.02 -4.36 0.23 -4.51 121.20 110.22 2wxj s ILE 325 Ca -0.01 -1.93 -0.13 0.00 -0.26 0.00 0.00 60.65 58.32 2wxj s ILE 325 Cb -0.01 -1.70 -0.05 0.00 1.25 0.00 0.00 42.46 41.96 2wxj s ILE 325 CO -0.02 -0.71 0.26 -0.70 0.24 0.00 0.00 174.94 174.01 2wxj s GLU 326 N -3.50 4.04 -0.42 0.37 2.12 -0.84 -0.79 118.70 119.69 2wxj s GLU 326 Ca 0.13 -0.13 -0.22 0.00 0.36 0.00 0.00 54.97 55.11 2wxj s GLU 326 Cb 0.01 -3.60 0.02 0.00 0.26 0.00 0.00 34.13 30.82 2wxj s GLU 326 CO -0.00 -0.10 0.72 -1.17 -0.54 0.00 0.00 175.26 174.17 2wxj s LEU 327 N 1.54 4.29 0.00 2.70 2.96 0.43 -0.42 118.68 130.18 2wxj s LEU 327 Ca 0.11 -0.05 0.00 0.00 -0.22 0.00 0.00 54.13 53.97 2wxj s LEU 327 Cb -0.15 -2.88 0.00 0.00 0.50 0.00 0.00 46.19 43.66 2wxj s LEU 327 CO 0.08 -0.80 0.00 -0.38 -1.32 0.00 0.00 176.35 173.94 2wxj n ILE 328 N 5.92 0.00 -3.88 6.68 5.41 -0.32 -1.68 119.36 131.49 2wxj n ILE 328 Ca 0.01 0.33 -0.09 0.00 1.00 0.00 0.00 62.75 64.00 2wxj n ILE 328 Cb 0.48 -1.22 -0.01 0.00 -0.71 0.00 0.00 39.64 38.19 2wxj n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxj s GLU 329 N -0.67 1.99 0.24 0.38 -1.05 -1.10 -0.81 118.70 117.68 2wxj s GLU 329 Ca 0.00 -1.31 -0.01 0.00 -0.15 0.00 0.00 54.97 53.50 2wxj s GLU 329 Cb 0.00 0.58 0.00 0.00 -0.44 0.00 0.00 34.13 34.28 2wxj s GLU 329 CO 0.00 -0.90 0.33 0.41 0.95 0.00 0.00 175.26 176.04 2wxj n GLY 330 N -0.50 2.48 2.96 -3.83 0.00 -0.87 0.11 105.19 105.54 2wxj n GLY 330 Ca -0.05 -1.55 -0.08 0.00 0.00 0.00 0.00 46.02 44.33 2wxj n GLY 330 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2wxj s ARG 331 N -2.55 0.69 0.32 1.61 3.03 -1.01 -2.63 118.95 118.41 2wxj s ARG 331 Ca 0.20 -0.50 0.04 0.00 2.03 0.00 0.00 55.73 57.50 2wxj s ARG 331 Cb -0.01 -0.33 -0.01 0.00 -1.03 0.00 0.00 34.95 33.57 2wxj s ARG 331 CO 0.14 -1.18 0.35 0.36 -1.13 0.00 0.00 175.30 173.85 2wxj n LYS 332 N 4.44 0.51 -4.32 3.89 -0.00 -1.26 -4.10 118.16 117.32 2wxj n LYS 332 Ca 0.10 -2.97 -0.26 0.00 -0.00 0.00 0.00 58.31 55.18 2wxj n LYS 332 Cb 0.50 2.60 -0.17 0.00 -0.00 0.00 0.00 35.03 37.97 2wxj n LYS 332 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2wxj s VAL 333 N -3.08 1.19 0.00 0.58 1.01 -1.26 -4.26 120.40 114.57 2wxj s VAL 333 Ca 0.34 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.86 2wxj s VAL 333 Cb 0.01 -1.12 0.00 0.00 0.00 0.00 0.00 36.38 35.27 2wxj s VAL 333 CO 0.24 0.38 0.00 -3.20 0.00 0.00 0.00 175.10 172.52 2wxj n ASN 334 N 4.29 0.00 0.00 3.32 5.15 -1.26 -5.09 115.26 121.67 2wxj n ASN 334 Ca -0.19 -0.77 0.00 0.00 -0.60 0.00 0.00 54.58 53.03 2wxj n ASN 334 Cb 0.51 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.76 2wxj n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxj n ALA 335 N -3.00 0.00 0.00 5.20 0.00 -1.26 -5.00 120.51 116.45 2wxj n ALA 335 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2wxj n ALA 335 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2wxj n ALA 335 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2wxj n MET 339 N 0.00 0.00 -4.33 0.00 0.00 -1.26 -4.97 117.12 106.56 2wxj n MET 339 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 57.70 57.53 2wxj n MET 339 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 33.22 33.12 2wxj n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxj s LYS 340 N -3.61 1.28 -0.06 2.12 3.01 0.23 -1.87 119.74 120.83 2wxj s LYS 340 Ca 0.00 -1.59 0.04 0.00 -1.01 0.00 0.00 55.97 53.41 2wxj s LYS 340 Cb 0.00 -0.91 -0.02 0.00 -1.01 0.00 0.00 37.83 35.89 2wxj s LYS 340 CO 0.00 0.10 -0.15 -0.51 0.51 0.00 0.00 175.35 175.29 2wxj s LEU 341 N -3.29 2.67 0.01 3.17 1.43 0.41 0.41 118.68 123.49 2wxj s LEU 341 Ca 0.22 -0.24 0.05 0.00 -1.03 0.00 0.00 54.13 53.13 2wxj s LEU 341 Cb 0.02 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.68 2wxj s LEU 341 CO 0.06 0.32 -0.15 -0.69 0.23 0.00 0.00 176.35 176.12 2wxj s VAL 342 N -0.57 1.15 -0.21 -1.59 1.01 -0.37 -3.03 120.40 116.80 2wxj s VAL 342 Ca 0.08 -0.78 -0.07 0.00 0.00 0.00 0.00 61.98 61.21 2wxj s VAL 342 Cb -0.11 -1.00 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 2wxj s VAL 342 CO 0.01 0.20 0.05 -0.69 0.00 0.00 0.00 175.10 174.67 2wxj s VAL 343 N -0.55 4.41 -0.05 2.92 1.01 -1.26 -2.05 120.40 124.82 2wxj s VAL 343 Ca 0.04 -0.16 0.03 0.00 0.00 0.00 0.00 61.98 61.90 2wxj s VAL 343 Cb -0.07 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 2wxj s VAL 343 CO 0.00 0.41 -0.14 -1.58 0.00 0.00 0.00 175.10 173.79 2wxj s GLN 344 N 0.95 2.54 0.05 2.72 0.74 0.28 -0.26 119.66 126.68 2wxj s GLN 344 Ca 0.03 -0.69 0.04 0.00 0.05 0.00 0.00 55.36 54.79 2wxj s GLN 344 Cb -0.14 -2.40 -0.02 0.00 1.10 0.00 0.00 33.01 31.55 2wxj s GLN 344 CO 0.03 0.61 -0.12 0.00 -0.55 0.00 0.00 175.29 175.26 2wxj s ALA 345 N -0.71 0.94 -0.01 1.58 0.00 -0.91 -0.34 121.76 122.31 2wxj s ALA 345 Ca 0.11 -0.84 -0.05 0.00 0.00 0.00 0.00 51.96 51.18 2wxj s ALA 345 Cb -0.11 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.94 2wxj s ALA 345 CO 0.01 0.12 0.11 0.20 0.00 0.00 0.00 175.76 176.19 2wxj s GLY 346 N -1.46 0.02 -0.19 0.00 0.00 -0.64 -1.87 107.32 103.17 2wxj s GLY 346 Ca -0.04 -0.02 -0.15 0.00 0.00 0.00 0.00 44.72 44.52 2wxj s GLY 346 CO 0.01 -0.11 0.37 1.08 0.00 0.00 0.00 173.10 174.45 2wxj s LEU 347 N -0.83 4.17 0.06 0.66 1.43 -1.26 -1.20 118.68 121.72 2wxj s LEU 347 Ca -0.09 0.50 0.07 0.00 -1.03 0.00 0.00 54.13 53.58 2wxj s LEU 347 Cb -0.05 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.67 2wxj s LEU 347 CO 0.01 -0.03 -0.20 -0.36 0.23 0.00 0.00 176.35 176.00 2wxj s PHE 348 N 1.11 1.71 -0.48 0.29 0.08 0.41 -1.35 117.98 119.75 2wxj s PHE 348 Ca 0.18 -0.39 0.03 0.00 0.12 0.00 0.00 56.93 56.87 2wxj s PHE 348 Cb -0.14 -0.99 0.13 0.00 -0.57 0.00 0.00 43.02 41.45 2wxj s PHE 348 CO 0.07 0.12 0.26 -1.58 -0.10 0.00 0.00 175.22 173.99 2wxj s HIS 349 N -0.94 2.57 0.00 0.36 5.65 -0.33 -1.31 115.29 121.29 2wxj s HIS 349 Ca 0.06 -2.80 0.00 0.00 0.25 0.00 0.00 55.06 52.57 2wxj s HIS 349 Cb -0.09 -2.33 0.00 0.00 -1.18 0.00 0.00 32.58 28.98 2wxj s HIS 349 CO 0.03 -0.76 0.00 0.41 -0.65 0.00 0.00 174.74 173.77 2wxj n GLY 350 N 3.29 0.94 0.12 1.59 0.00 -1.26 -3.54 105.19 106.33 2wxj n GLY 350 Ca 0.07 -0.72 -0.09 0.00 0.00 0.00 0.00 46.02 45.28 2wxj n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxj h ASN 351 N 5.58 0.25 -3.13 1.61 2.35 -1.94 -3.46 115.58 116.83 2wxj h ASN 351 Ca 0.00 -0.21 -0.53 0.00 -0.55 0.00 0.00 56.30 55.01 2wxj h ASN 351 Cb 0.00 -0.08 0.02 0.00 0.05 0.00 0.00 38.32 38.31 2wxj h ASN 351 CO 0.00 1.03 0.65 -1.61 -1.65 0.00 0.00 177.43 175.85 2wxj s GLU 352 N -3.13 4.37 0.44 0.81 8.01 -1.23 -5.03 118.70 122.94 2wxj s GLU 352 Ca -0.03 1.96 -0.23 0.00 0.01 0.00 0.00 54.97 56.69 2wxj s GLU 352 Cb 0.10 -3.27 -0.08 0.00 -4.31 0.00 0.00 34.13 26.56 2wxj s GLU 352 CO 0.83 -0.34 1.07 -1.64 0.01 0.00 0.00 175.26 175.19 2wxj s MET 353 N 0.88 3.97 0.01 1.61 -1.94 -1.26 -1.19 119.30 121.37 2wxj s MET 353 Ca 0.61 1.52 0.24 0.00 -1.71 0.00 0.00 55.69 56.35 2wxj s MET 353 Cb -0.34 -2.38 0.32 0.00 2.01 0.00 0.00 34.83 34.44 2wxj s MET 353 CO 0.31 -0.32 1.28 1.28 -0.01 0.00 0.00 175.02 177.56 2wxj n LEU 354 N -0.43 0.62 -3.89 -0.03 4.77 -0.45 -4.86 117.00 112.72 2wxj n LEU 354 Ca 0.07 -0.10 -0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2wxj n LEU 354 Cb 0.50 -0.19 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 2wxj n LEU 354 CO 0.44 0.14 0.94 0.00 -1.33 0.00 0.00 177.39 177.58 2wxj s LYS 356 N -2.19 2.72 0.48 0.00 -2.85 -1.26 -4.71 119.74 111.93 2wxj s LYS 356 Ca 0.24 1.67 -0.21 0.00 -1.00 0.00 0.00 55.97 56.67 2wxj s LYS 356 Cb -0.01 -1.91 -0.08 0.00 -2.06 0.00 0.00 37.83 33.76 2wxj s LYS 356 CO 0.02 -1.37 1.04 0.95 0.10 0.00 0.00 175.35 176.10 2wxj s THR 357 N -1.93 3.75 -0.04 3.79 -4.23 -1.26 -4.82 115.64 110.90 2wxj s THR 357 Ca 0.73 1.12 0.06 0.00 -1.18 0.00 0.00 61.69 62.42 2wxj s THR 357 Cb -0.27 -3.47 -0.01 0.00 1.34 0.00 0.00 72.50 70.09 2wxj s THR 357 CO 0.38 -0.21 -0.22 0.68 -0.54 0.00 0.00 174.62 174.72 2wxj s VAL 358 N -1.93 1.77 0.32 2.29 -7.23 -0.78 -4.99 120.40 109.84 2wxj s VAL 358 Ca 0.66 -0.93 0.07 0.00 -1.81 0.00 0.00 61.98 59.98 2wxj s VAL 358 Cb -0.17 -1.49 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2wxj s VAL 358 CO 0.21 0.50 0.37 -0.44 -0.31 0.00 0.00 175.10 175.42 2wxj s SER 359 N -0.23 5.72 0.78 4.85 0.01 -1.26 -2.13 113.70 121.43 2wxj s SER 359 Ca 0.01 -0.28 -0.12 0.00 1.31 0.00 0.00 55.95 56.87 2wxj s SER 359 Cb -0.11 -1.23 0.06 0.00 0.21 0.00 0.00 66.02 64.95 2wxj s SER 359 CO 0.02 -0.32 1.15 -0.44 0.41 0.00 0.00 173.24 174.05 2wxj s SER 360 N -4.05 4.80 0.37 2.44 0.01 0.64 -4.98 113.70 112.92 2wxj s SER 360 Ca 0.41 0.93 -0.24 0.00 1.31 0.00 0.00 55.95 58.36 2wxj s SER 360 Cb -0.08 -1.54 -0.10 0.00 0.21 0.00 0.00 66.02 64.51 2wxj s SER 360 CO 0.29 -1.74 0.95 -0.94 0.41 0.00 0.00 173.24 172.21 2wxj s SER 361 N -4.46 7.14 0.25 2.44 1.04 -1.26 -4.83 113.70 114.01 2wxj s SER 361 Ca 0.61 1.78 -0.30 0.00 0.48 0.00 0.00 55.95 58.52 2wxj s SER 361 Cb -0.11 -2.56 -0.10 0.00 0.10 0.00 0.00 66.02 63.35 2wxj s SER 361 CO 0.50 -0.21 1.44 -1.61 0.98 0.00 0.00 173.24 174.34 2wxj s GLU 362 N -2.57 4.27 0.02 4.02 2.02 -1.26 -4.79 118.70 120.41 2wxj s GLU 362 Ca 0.56 2.29 0.01 0.00 0.02 0.00 0.00 54.97 57.85 2wxj s GLU 362 Cb -0.14 -3.11 -0.01 0.00 0.10 0.00 0.00 34.13 30.96 2wxj s GLU 362 CO 0.19 -0.42 -0.04 0.08 0.02 0.00 0.00 175.26 175.09 2wxj s VAL 363 N 0.01 0.27 0.58 2.63 1.01 -1.17 -4.99 120.40 118.74 2wxj s VAL 363 Ca 0.59 -0.61 -0.19 0.00 0.00 0.00 0.00 61.98 61.77 2wxj s VAL 363 Cb -0.42 -0.32 -0.05 0.00 0.00 0.00 0.00 36.38 35.59 2wxj s VAL 363 CO 0.43 -0.22 1.05 0.59 0.00 0.00 0.00 175.10 176.95 2wxj n ASN 364 N 2.18 1.18 0.02 3.32 3.02 -1.26 -0.45 115.26 123.28 2wxj n ASN 364 Ca -0.19 0.85 0.14 0.00 -0.03 0.00 0.00 54.58 55.36 2wxj n ASN 364 Cb 0.57 -1.42 0.59 0.00 -0.61 0.00 0.00 39.78 38.91 2wxj n ASN 364 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2wxj h VAL 365 N 0.72 0.87 -1.68 2.41 2.07 -1.70 -3.42 116.25 115.51 2wxj h VAL 365 Ca -0.49 -0.06 -0.62 0.00 0.82 0.00 0.00 66.70 66.35 2wxj h VAL 365 Cb 1.35 0.67 -0.00 0.00 -1.52 0.00 0.00 31.29 31.79 2wxj h VAL 365 CO 0.52 0.03 1.40 0.00 0.02 0.00 0.00 177.57 179.55 2wxj n SER 367 N 10.16 0.00 -3.98 0.00 7.64 -1.26 -4.70 113.62 121.48 2wxj n SER 367 Ca 0.33 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.81 2wxj n SER 367 Cb 0.35 0.00 0.01 0.00 -1.01 0.00 0.00 64.21 63.56 2wxj n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxj n GLU 368 N -0.18 -0.68 -2.30 1.43 4.07 -1.26 -4.24 120.64 117.47 2wxj n GLU 368 Ca 0.00 0.31 -0.34 0.00 -0.06 0.00 0.00 57.16 57.07 2wxj n GLU 368 Cb 0.00 -2.42 -0.01 0.00 -0.06 0.00 0.00 31.44 28.95 2wxj n GLU 368 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wxj s PRO 369 N -6.59 3.52 -0.03 5.31 0.04 -1.08 -4.85 135.00 131.33 2wxj s PRO 369 Ca 0.32 1.35 0.02 0.00 0.04 0.00 0.00 61.00 62.73 2wxj s PRO 369 Cb -0.18 -2.05 0.01 0.00 0.04 0.00 0.00 34.50 32.32 2wxj s PRO 369 CO 0.95 -0.66 -0.06 0.14 0.04 0.00 0.00 177.00 177.40 2wxj s VAL 370 N -2.12 0.60 0.00 -0.36 -7.23 -1.26 -2.06 120.40 107.97 2wxj s VAL 370 Ca 0.67 -0.21 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 2wxj s VAL 370 Cb -0.18 -0.58 0.00 0.00 0.56 0.00 0.00 36.38 36.18 2wxj s VAL 370 CO 0.28 0.22 0.00 0.79 -0.31 0.00 0.00 175.10 176.08 2wxj n TRP 371 N 3.67 0.00 -3.72 2.82 8.01 0.01 -5.01 117.44 123.23 2wxj n TRP 371 Ca -0.22 0.00 -0.28 0.00 -1.31 0.00 0.00 57.50 55.69 2wxj n TRP 371 Cb 0.53 0.24 -0.03 0.00 -2.01 0.00 0.00 31.31 30.04 2wxj n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxj n LYS 372 N -2.62 -2.68 -4.20 -0.99 5.02 -0.68 -4.94 118.16 107.07 2wxj n LYS 372 Ca 0.00 0.31 -0.29 0.00 -2.02 0.00 0.00 58.31 56.31 2wxj n LYS 372 Cb 0.23 -4.97 -0.09 0.00 -0.02 0.00 0.00 35.03 30.17 2wxj n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wxj s GLN 373 N -6.37 2.28 -0.33 1.97 -1.52 -0.79 -4.94 119.66 109.96 2wxj s GLN 373 Ca 0.53 -1.01 -0.18 0.00 -1.95 0.00 0.00 55.36 52.75 2wxj s GLN 373 Cb -0.29 -2.37 -0.01 0.00 -0.22 0.00 0.00 33.01 30.12 2wxj s GLN 373 CO 0.65 0.50 0.53 1.03 -0.25 0.00 0.00 175.29 177.75 2wxj s ARG 374 N -2.42 3.74 -0.35 2.91 1.81 -1.26 -0.43 118.95 122.95 2wxj s ARG 374 Ca 0.24 -0.02 -0.18 0.00 -1.72 0.00 0.00 55.73 54.04 2wxj s ARG 374 Cb -0.11 -3.77 -0.00 0.00 -0.45 0.00 0.00 34.95 30.62 2wxj s ARG 374 CO 0.16 -0.58 0.53 -0.51 -0.68 0.00 0.00 175.30 174.21 2wxj s LEU 375 N 2.41 4.33 -0.13 2.53 1.43 0.03 -4.96 118.68 124.32 2wxj s LEU 375 Ca 0.20 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.24 2wxj s LEU 375 Cb -0.15 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.41 2wxj s LEU 375 CO 0.13 -0.49 0.12 -0.70 0.23 0.00 0.00 176.35 175.64 2wxj s GLU 376 N 2.43 3.54 -0.12 1.70 2.12 -1.26 -0.60 118.70 126.52 2wxj s GLU 376 Ca 0.19 -0.18 -0.04 0.00 0.36 0.00 0.00 54.97 55.31 2wxj s GLU 376 Cb -0.15 -3.19 -0.03 0.00 0.26 0.00 0.00 34.13 31.01 2wxj s GLU 376 CO 0.13 0.67 0.02 -0.06 -0.54 0.00 0.00 175.26 175.49 2wxj s PHE 377 N -0.73 3.20 -1.16 5.30 0.08 0.47 -4.95 117.98 120.18 2wxj s PHE 377 Ca 0.13 0.14 -0.17 0.00 0.12 0.00 0.00 56.93 57.15 2wxj s PHE 377 Cb -0.12 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.40 2wxj s PHE 377 CO 0.03 0.37 2.12 -3.47 -0.10 0.00 0.00 175.22 174.17 2wxj n ASP 378 N 2.57 3.47 -3.65 1.36 2.03 -1.26 -3.39 116.55 117.68 2wxj n ASP 378 Ca -0.18 -2.75 -0.04 0.00 0.52 0.00 0.00 54.79 52.34 2wxj n ASP 378 Cb 0.53 -1.41 -0.07 0.00 -0.72 0.00 0.00 41.12 39.46 2wxj n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxj s ILE 379 N 3.94 0.00 0.19 5.18 2.07 -1.26 -4.76 121.20 126.56 2wxj s ILE 379 Ca 0.52 0.00 -0.30 0.00 -1.41 0.00 0.00 60.65 59.46 2wxj s ILE 379 Cb 0.14 -1.00 -0.09 0.00 0.13 0.00 0.00 42.46 41.65 2wxj s ILE 379 CO 0.00 0.00 1.32 -0.55 -1.91 0.00 0.00 174.94 173.80 2wxj s SER 380 N 0.28 6.89 0.29 4.50 0.15 -1.26 -1.18 113.70 123.36 2wxj s SER 380 Ca 0.03 2.39 0.02 0.00 0.70 0.00 0.00 55.95 59.10 2wxj s SER 380 Cb -0.05 -2.61 0.58 0.00 -1.71 0.00 0.00 66.02 62.24 2wxj s SER 380 CO -0.12 -0.54 1.85 0.58 1.20 0.00 0.00 173.24 176.21 2wxj h VAL 381 N 3.79 0.93 0.00 4.45 2.07 -1.25 0.20 116.25 126.44 2wxj h VAL 381 Ca -0.44 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 66.74 2wxj h VAL 381 Cb 1.21 -0.13 0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wxj h VAL 381 CO 0.78 0.18 0.00 0.00 0.02 0.00 0.00 177.57 178.55 2wxj n ASP 383 N -1.08 0.98 -4.65 0.00 10.43 0.68 -4.64 116.55 118.28 2wxj n ASP 383 Ca 0.06 -0.35 -0.50 0.00 2.57 0.00 0.00 54.79 56.56 2wxj n ASP 383 Cb 0.04 1.47 -0.05 0.00 1.84 0.00 0.00 41.12 44.41 2wxj n ASP 383 CO 0.00 0.00 0.00 0.18 -1.07 0.00 0.00 177.20 176.31 2wxj n LEU 384 N -1.81 3.08 -4.76 0.64 4.77 -1.04 -4.27 117.00 113.62 2wxj n LEU 384 Ca -0.01 0.86 -0.32 0.00 -0.03 0.00 0.00 56.01 56.51 2wxj n LEU 384 Cb 0.37 -1.33 0.08 0.00 -2.33 0.00 0.00 43.42 40.21 2wxj n LEU 384 CO 0.35 -0.25 0.72 -2.16 -1.33 0.00 0.00 177.39 174.72 2wxj s PRO 385 N 4.47 2.31 0.42 3.23 0.04 -1.26 -4.89 135.00 139.32 2wxj s PRO 385 Ca 0.97 1.34 0.26 0.00 0.04 0.00 0.00 61.00 63.61 2wxj s PRO 385 Cb -0.76 -1.89 1.34 0.00 0.04 0.00 0.00 34.50 33.23 2wxj s PRO 385 CO 0.53 -1.62 1.65 -0.09 0.04 0.00 0.00 177.00 177.50 2wxj h ARG 386 N -0.72 0.15 -0.59 4.56 9.65 -1.95 0.76 114.38 126.23 2wxj h ARG 386 Ca -0.45 -0.01 -0.22 0.00 -1.10 0.00 0.00 59.98 58.20 2wxj h ARG 386 Cb 1.25 -0.03 -0.13 0.00 -1.39 0.00 0.00 29.97 29.66 2wxj h ARG 386 CO 0.51 0.10 0.19 -1.33 2.80 0.00 0.00 179.97 182.24 2wxj n MET 387 N -4.75 2.80 -1.65 0.20 2.81 -1.26 -4.63 117.12 110.64 2wxj n MET 387 Ca 0.35 -3.06 -0.49 0.00 -1.81 0.00 0.00 57.70 52.69 2wxj n MET 387 Cb 1.29 -2.03 -0.05 0.00 -0.71 0.00 0.00 33.22 31.72 2wxj n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxj n ALA 388 N -0.67 0.59 -3.90 3.04 0.00 0.26 -4.78 120.51 115.05 2wxj n ALA 388 Ca 0.38 0.44 -0.33 0.00 0.00 0.00 0.00 53.44 53.93 2wxj n ALA 388 Cb 1.25 -2.29 -0.16 0.00 0.00 0.00 0.00 19.45 18.25 2wxj n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wxj s ARG 389 N 1.44 3.09 -0.22 0.00 3.52 -0.43 -1.92 118.95 124.44 2wxj s ARG 389 Ca 0.84 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 55.54 2wxj s ARG 389 Cb -0.78 -2.66 -0.05 0.00 -1.56 0.00 0.00 34.95 29.90 2wxj s ARG 389 CO 0.44 -0.18 0.18 -1.17 -0.81 0.00 0.00 175.30 173.76 2wxj s LEU 390 N 1.26 4.15 -0.03 -0.88 2.96 0.88 -0.45 118.68 126.58 2wxj s LEU 390 Ca 0.04 0.19 0.07 0.00 -0.22 0.00 0.00 54.13 54.21 2wxj s LEU 390 Cb -0.14 -2.15 -0.02 0.00 0.50 0.00 0.00 46.19 44.39 2wxj s LEU 390 CO -0.09 0.08 -0.23 0.00 -1.32 0.00 0.00 176.35 174.79 2wxj s PHE 392 N -0.42 1.78 -0.05 0.00 0.08 0.69 -1.62 117.98 118.44 2wxj s PHE 392 Ca 0.05 -0.35 0.02 0.00 0.12 0.00 0.00 56.93 56.78 2wxj s PHE 392 Cb -0.10 -1.12 0.01 0.00 -0.57 0.00 0.00 43.02 41.24 2wxj s PHE 392 CO 0.00 0.01 -0.11 0.00 -0.10 0.00 0.00 175.22 175.03 2wxj s ALA 393 N -0.58 1.09 -0.16 5.36 0.00 0.53 -1.34 121.76 126.66 2wxj s ALA 393 Ca 0.07 -0.36 -0.02 0.00 0.00 0.00 0.00 51.96 51.65 2wxj s ALA 393 Cb -0.08 -0.47 -0.02 0.00 0.00 0.00 0.00 23.12 22.55 2wxj s ALA 393 CO 0.00 0.12 -0.08 -1.17 0.00 0.00 0.00 175.76 174.63 2wxj s LEU 394 N 0.53 2.93 0.28 0.00 2.96 -0.23 -0.55 118.68 124.60 2wxj s LEU 394 Ca -0.10 -0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 53.51 2wxj s LEU 394 Cb -0.13 -1.70 -0.02 0.00 0.50 0.00 0.00 46.19 44.84 2wxj s LEU 394 CO 0.02 0.11 0.33 -0.72 -1.32 0.00 0.00 176.35 174.77 2wxj s TYR 395 N 0.68 1.15 0.24 5.38 -0.85 -0.87 -1.93 117.35 121.14 2wxj s TYR 395 Ca -0.04 -1.32 0.10 0.00 -0.52 0.00 0.00 57.07 55.29 2wxj s TYR 395 Cb -0.15 -0.33 -0.04 0.00 0.38 0.00 0.00 41.96 41.82 2wxj s TYR 395 CO 0.02 -0.90 -0.10 0.00 -1.52 0.00 0.00 175.55 173.05 2wxj s ALA 396 N -3.63 2.94 0.12 9.51 0.00 0.76 -1.23 121.76 130.23 2wxj s ALA 396 Ca 0.34 -1.65 -0.22 0.00 0.00 0.00 0.00 51.96 50.43 2wxj s ALA 396 Cb 0.02 -0.60 0.06 0.00 0.00 0.00 0.00 23.12 22.61 2wxj s ALA 396 CO 0.18 0.35 0.55 0.54 0.00 0.00 0.00 175.76 177.38 2wxj s VAL 397 N -2.12 0.02 0.22 0.00 0.11 0.17 -2.46 120.40 116.33 2wxj s VAL 397 Ca 0.28 -0.15 -0.00 0.00 -2.93 0.00 0.00 61.98 59.18 2wxj s VAL 397 Cb -0.07 -1.03 -0.03 0.00 -1.53 0.00 0.00 36.38 33.71 2wxj s VAL 397 CO 0.16 -0.09 1.55 0.58 -3.33 0.00 0.00 175.10 173.98 2wxj h VAL 398 N 2.25 1.33 -4.09 2.04 2.07 -1.96 0.67 116.25 118.56 2wxj h VAL 398 Ca -0.33 -1.78 -0.60 0.00 0.82 0.00 0.00 66.70 64.81 2wxj h VAL 398 Cb 1.27 1.79 -0.31 0.00 -1.52 0.00 0.00 31.29 32.52 2wxj h VAL 398 CO 0.40 0.55 -0.85 -1.81 0.02 0.00 0.00 177.57 175.88 2wxj s ASP 415 N -6.90 2.43 -0.26 0.57 1.01 -1.26 -4.78 116.67 107.48 2wxj s ASP 415 Ca -0.06 -0.39 -0.00 0.00 0.71 0.00 0.00 52.55 52.80 2wxj s ASP 415 Cb 0.12 -0.55 0.08 0.00 1.01 0.00 0.00 42.92 43.57 2wxj s ASP 415 CO 0.82 0.20 0.02 0.00 0.21 0.00 0.00 175.17 176.42 2wxj s PRO 417 N 1.51 4.74 -0.04 0.00 0.02 -1.26 -0.17 135.00 139.79 2wxj s PRO 417 Ca 0.01 1.40 -0.04 0.00 0.02 0.00 0.00 61.00 62.39 2wxj s PRO 417 Cb -0.18 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.20 2wxj s PRO 417 CO -0.12 0.44 -0.10 -0.89 -0.33 0.00 0.00 177.00 176.00 2wxj n ILE 418 N 1.18 0.77 -3.71 2.83 -0.00 -0.81 -4.76 119.36 114.85 2wxj n ILE 418 Ca -0.01 0.06 -0.09 0.00 -0.00 0.00 0.00 62.75 62.71 2wxj n ILE 418 Cb 0.48 -1.68 -0.02 0.00 -0.00 0.00 0.00 39.64 38.41 2wxj n ILE 418 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.55 176.55 2wxj s ALA 419 N -2.19 -1.29 0.15 -1.39 0.00 -0.85 -2.22 121.76 113.97 2wxj s ALA 419 Ca -0.10 -0.06 -0.05 0.00 0.00 0.00 0.00 51.96 51.75 2wxj s ALA 419 Cb 0.03 0.87 -0.02 0.00 0.00 0.00 0.00 23.12 24.00 2wxj s ALA 419 CO 0.13 -0.92 0.17 1.67 0.00 0.00 0.00 175.76 176.81 2wxj s TRP 420 N -3.86 0.62 -0.23 0.00 1.48 -0.37 -1.07 118.94 115.51 2wxj s TRP 420 Ca 0.08 -0.99 -0.27 0.00 -1.06 0.00 0.00 56.10 53.86 2wxj s TRP 420 Cb -0.04 -0.27 0.10 0.00 -1.16 0.00 0.00 33.47 32.10 2wxj s TRP 420 CO -0.00 -0.62 0.88 0.00 -4.06 0.00 0.00 176.95 173.15 2wxj s ALA 421 N -4.01 -1.88 0.14 2.67 0.00 -0.45 -1.67 121.76 116.56 2wxj s ALA 421 Ca 0.20 1.81 0.09 0.00 0.00 0.00 0.00 51.96 54.06 2wxj s ALA 421 Cb 0.05 -1.05 -0.04 0.00 0.00 0.00 0.00 23.12 22.08 2wxj s ALA 421 CO 0.01 -0.30 -0.21 -0.80 0.00 0.00 0.00 175.76 174.46 2wxj s ASN 422 N -0.11 2.75 0.02 0.00 0.01 -1.26 -0.23 114.94 116.13 2wxj s ASN 422 Ca -0.01 -0.78 -0.10 0.00 -0.71 0.00 0.00 52.86 51.26 2wxj s ASN 422 Cb -0.04 -0.16 0.01 0.00 0.41 0.00 0.00 41.25 41.47 2wxj s ASN 422 CO -0.01 0.04 0.20 -1.48 -1.51 0.00 0.00 177.10 174.34 2wxj s LEU 423 N -2.31 1.31 0.37 0.60 -0.00 -0.18 -4.34 118.68 114.14 2wxj s LEU 423 Ca 0.12 -0.23 -0.25 0.00 -0.00 0.00 0.00 54.13 53.77 2wxj s LEU 423 Cb -0.08 0.94 -0.09 0.00 -0.00 0.00 0.00 46.19 46.96 2wxj s LEU 423 CO 0.06 -0.48 1.08 -0.04 -0.00 0.00 0.00 176.35 176.97 2wxj s MET 424 N -1.97 4.24 0.32 1.48 -1.94 -1.26 -0.08 119.30 120.09 2wxj s MET 424 Ca -0.10 1.64 0.23 0.00 -1.71 0.00 0.00 55.69 55.75 2wxj s MET 424 Cb -0.04 -2.70 0.29 0.00 2.01 0.00 0.00 34.83 34.38 2wxj s MET 424 CO -0.01 -0.10 1.43 -0.07 -0.01 0.00 0.00 175.02 176.26 2wxj h LEU 425 N 2.80 0.00 -9.14 -0.03 3.38 -1.73 -3.44 115.31 107.16 2wxj h LEU 425 Ca -0.48 -0.02 -0.68 0.00 0.09 0.00 0.00 57.88 56.79 2wxj h LEU 425 Cb 1.22 0.00 -0.18 0.00 0.09 0.00 0.00 40.66 41.79 2wxj h LEU 425 CO 0.63 0.01 -0.71 -0.36 0.09 0.00 0.00 178.44 178.10 2wxj s PHE 426 N -3.24 2.87 0.56 1.13 0.08 -1.26 -1.92 117.98 116.20 2wxj s PHE 426 Ca 0.05 -0.04 -0.09 0.00 0.12 0.00 0.00 56.93 56.97 2wxj s PHE 426 Cb 0.08 -1.63 0.14 0.00 -0.57 0.00 0.00 43.02 41.03 2wxj s PHE 426 CO 0.70 0.34 0.60 -0.40 -0.10 0.00 0.00 175.22 176.36 2wxj n ASP 427 N 1.80 -0.88 0.19 1.36 5.68 0.17 -4.90 116.55 119.97 2wxj n ASP 427 Ca -0.16 -1.00 0.14 0.00 -0.50 0.00 0.00 54.79 53.27 2wxj n ASP 427 Cb 0.53 -0.50 0.52 0.00 -1.14 0.00 0.00 41.12 40.52 2wxj n ASP 427 CO 0.00 0.00 0.00 0.10 -1.33 0.00 0.00 177.20 175.97 2wxj h TYR 428 N -1.81 0.00 -0.53 2.11 -0.00 -1.98 -2.42 116.97 112.34 2wxj h TYR 428 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.73 58.52 2wxj h TYR 428 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 36.73 37.34 2wxj h TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 178.16 179.79 2wxj n LYS 429 N -2.67 3.30 -0.97 0.10 4.76 -1.26 -4.92 118.16 116.51 2wxj n LYS 429 Ca 0.02 -2.35 0.00 0.00 -2.87 0.00 0.00 58.31 53.11 2wxj n LYS 429 Cb 0.32 -1.81 0.00 0.00 -1.84 0.00 0.00 35.03 31.70 2wxj n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxj n ASP 430 N 0.86 -0.78 -4.76 4.39 8.00 -0.91 -4.92 116.55 118.43 2wxj n ASP 430 Ca 0.21 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 55.32 2wxj n ASP 430 Cb 0.77 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 41.46 2wxj n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxj s GLN 431 N -0.11 4.43 0.63 -1.24 0.74 -1.26 -1.60 119.66 121.25 2wxj s GLN 431 Ca 0.00 0.95 -0.18 0.00 0.05 0.00 0.00 55.36 56.18 2wxj s GLN 431 Cb 0.00 -3.34 -0.02 0.00 1.10 0.00 0.00 33.01 30.75 2wxj s GLN 431 CO 0.00 0.36 1.22 -1.17 -0.55 0.00 0.00 175.29 175.15 2wxj s LEU 432 N -0.28 3.58 -0.06 3.68 2.96 0.02 -0.66 118.68 127.92 2wxj s LEU 432 Ca 0.35 2.42 -0.11 0.00 -0.22 0.00 0.00 54.13 56.57 2wxj s LEU 432 Cb -0.20 -4.60 -0.05 0.00 0.50 0.00 0.00 46.19 41.84 2wxj s LEU 432 CO 0.21 -1.79 0.29 -0.54 -1.32 0.00 0.00 176.35 173.20 2wxj s LYS 433 N -3.46 3.74 -0.04 1.98 1.02 -0.81 -4.81 119.74 117.36 2wxj s LYS 433 Ca 0.78 0.17 -0.29 0.00 0.02 0.00 0.00 55.97 56.64 2wxj s LYS 433 Cb -0.31 -3.22 0.07 0.00 -0.52 0.00 0.00 37.83 33.84 2wxj s LYS 433 CO 0.37 0.70 0.64 0.95 -0.92 0.00 0.00 175.35 177.09 2wxj s THR 434 N -0.97 0.01 0.03 2.17 -4.23 -1.26 -4.62 115.64 106.76 2wxj s THR 434 Ca 0.20 -0.05 -0.00 0.00 -1.18 0.00 0.00 61.69 60.65 2wxj s THR 434 Cb -0.15 -0.96 -0.00 0.00 1.34 0.00 0.00 72.50 72.73 2wxj s THR 434 CO 0.09 -0.03 -0.01 0.61 -0.54 0.00 0.00 174.62 174.75 2wxj n GLY 435 N 0.89 0.03 3.73 3.99 0.00 -1.26 -5.04 105.19 107.53 2wxj n GLY 435 Ca -0.19 -0.01 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2wxj n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxj s GLU 436 N -1.35 4.39 0.08 1.61 2.12 -1.26 0.26 118.70 124.55 2wxj s GLU 436 Ca -0.01 0.74 0.09 0.00 0.36 0.00 0.00 54.97 56.15 2wxj s GLU 436 Cb 0.00 -3.42 -0.03 0.00 0.26 0.00 0.00 34.13 30.94 2wxj s GLU 436 CO 0.01 0.16 -0.22 1.03 -0.54 0.00 0.00 175.26 175.69 2wxj s ARG 437 N 0.53 1.33 -0.21 4.30 3.00 -0.71 -4.96 118.95 122.22 2wxj s ARG 437 Ca 0.33 -1.12 0.02 0.00 0.00 0.00 0.00 55.73 54.96 2wxj s ARG 437 Cb -0.17 -1.58 0.04 0.00 0.00 0.00 0.00 34.95 33.24 2wxj s ARG 437 CO 0.16 0.38 -0.16 0.00 0.00 0.00 0.00 175.30 175.69 2wxj s LEU 439 N 1.23 4.64 -0.39 0.00 1.43 0.20 -4.92 118.68 120.87 2wxj s LEU 439 Ca -0.01 -1.08 -0.28 0.00 -1.03 0.00 0.00 54.13 51.73 2wxj s LEU 439 Cb -0.16 -1.98 0.02 0.00 0.03 0.00 0.00 46.19 44.11 2wxj s LEU 439 CO -0.10 -0.38 1.04 -0.31 0.23 0.00 0.00 176.35 176.83 2wxj s TYR 440 N 1.50 3.01 0.30 0.29 2.02 -1.26 -1.11 117.35 122.10 2wxj s TYR 440 Ca 0.01 0.88 -0.08 0.00 -0.37 0.00 0.00 57.07 57.51 2wxj s TYR 440 Cb -0.20 -3.92 -0.06 0.00 -0.40 0.00 0.00 41.96 37.38 2wxj s TYR 440 CO 0.05 -0.96 0.61 -1.64 -1.57 0.00 0.00 175.55 172.05 2wxj s MET 441 N 3.85 3.72 -0.04 -0.62 -1.94 0.14 -0.16 119.30 124.25 2wxj s MET 441 Ca 0.44 0.21 -0.09 0.00 -1.71 0.00 0.00 55.69 54.53 2wxj s MET 441 Cb -0.10 -2.58 -0.05 0.00 2.01 0.00 0.00 34.83 34.11 2wxj s MET 441 CO 0.22 0.18 0.26 -1.58 -0.01 0.00 0.00 175.02 174.09 2wxj s TRP 442 N -2.08 3.63 0.71 -0.03 0.52 -0.67 -4.32 118.94 116.70 2wxj s TRP 442 Ca 0.47 0.69 -0.16 0.00 0.02 0.00 0.00 56.10 57.11 2wxj s TRP 442 Cb -0.11 -2.06 0.00 0.00 -1.15 0.00 0.00 33.47 30.15 2wxj s TRP 442 CO 0.28 0.67 0.96 -2.30 0.02 0.00 0.00 176.95 176.57 2wxj n PRO 443 N 1.64 0.53 -3.77 4.98 -0.02 -1.26 -1.24 135.00 135.86 2wxj n PRO 443 Ca -0.15 0.24 -0.37 0.00 -2.02 0.00 0.00 63.50 61.19 2wxj n PRO 443 Cb 0.53 -2.21 -0.13 0.00 -0.02 0.00 0.00 33.50 31.68 2wxj n PRO 443 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 2wxj s SER 444 N -1.61 5.11 0.00 2.55 0.01 -0.94 -4.73 113.70 114.08 2wxj s SER 444 Ca 0.73 -0.80 0.00 0.00 1.31 0.00 0.00 55.95 57.19 2wxj s SER 444 Cb -0.35 -1.86 0.00 0.00 0.21 0.00 0.00 66.02 64.02 2wxj s SER 444 CO 0.50 -0.21 0.00 0.55 0.41 0.00 0.00 173.24 174.49 2wxj n VAL 445 N 4.84 0.00 -0.07 3.43 3.14 -1.26 -4.83 118.33 123.58 2wxj n VAL 445 Ca -0.14 0.00 -0.14 0.00 -2.96 0.00 0.00 64.34 61.10 2wxj n VAL 445 Cb 0.47 0.00 -0.05 0.00 -1.06 0.00 0.00 33.84 33.21 2wxj n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxj n LEU 452 N 0.00 1.01 -4.74 6.55 7.99 -1.26 -5.22 117.00 121.33 2wxj n LEU 452 Ca 0.00 0.17 -0.41 0.00 -0.01 0.00 0.00 56.01 55.76 2wxj n LEU 452 Cb 0.00 -0.41 -0.04 0.00 -0.11 0.00 0.00 43.42 42.85 2wxj n LEU 452 CO 0.00 0.23 0.80 -0.76 -1.51 0.00 0.00 177.39 176.15 2wxj s LEU 453 N -6.79 4.51 -0.56 2.23 2.01 -1.26 -4.73 118.68 114.08 2wxj s LEU 453 Ca -0.19 2.16 0.07 0.00 0.01 0.00 0.00 54.13 56.17 2wxj s LEU 453 Cb 0.07 -3.61 0.26 0.00 0.01 0.00 0.00 46.19 42.92 2wxj s LEU 453 CO 0.24 -0.21 0.69 -3.20 1.01 0.00 0.00 176.35 174.88 2wxj n ASN 454 N 2.04 2.69 0.07 2.29 5.15 -1.26 -4.95 115.26 121.30 2wxj n ASN 454 Ca 0.02 -3.23 0.15 0.00 -0.60 0.00 0.00 54.58 50.92 2wxj n ASN 454 Cb 0.46 -0.66 0.65 0.00 -0.53 0.00 0.00 39.78 39.70 2wxj n ASN 454 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wxj h PRO 455 N 4.05 0.05 0.00 1.20 0.11 -1.95 -1.12 132.00 134.34 2wxj h PRO 455 Ca 0.16 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 2wxj h PRO 455 Cb 0.72 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.82 2wxj h PRO 455 CO 0.72 0.03 -0.09 0.00 -0.21 0.00 0.00 178.00 178.45 2wxj n ALA 456 N -2.60 2.38 -1.48 -0.75 0.00 -1.26 -4.89 120.51 111.91 2wxj n ALA 456 Ca 0.06 -0.06 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2wxj n ALA 456 Cb 0.41 -1.43 0.08 0.00 0.00 0.00 0.00 19.45 18.52 2wxj n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxj s GLY 457 N -3.58 2.51 0.78 0.00 0.00 -0.43 -4.86 107.32 101.74 2wxj s GLY 457 Ca 0.10 0.97 -0.15 0.00 0.00 0.00 0.00 44.72 45.64 2wxj s GLY 457 CO 0.61 1.38 0.50 -0.37 0.00 0.00 0.00 173.10 175.23 2wxj n THR 458 N -2.42 1.36 -1.00 0.90 5.66 -1.26 -4.90 114.28 112.62 2wxj n THR 458 Ca 0.14 -0.35 0.05 0.00 -3.05 0.00 0.00 64.05 60.85 2wxj n THR 458 Cb 0.50 -0.72 0.31 0.00 -1.55 0.00 0.00 70.33 68.88 2wxj n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxj n VAL 459 N -2.69 2.58 -4.20 1.08 0.24 -1.26 -4.23 118.33 109.84 2wxj n VAL 459 Ca 0.09 -1.74 -0.30 0.00 -2.04 0.00 0.00 64.34 60.36 2wxj n VAL 459 Cb 0.51 -0.28 -0.09 0.00 -1.47 0.00 0.00 33.84 32.50 2wxj n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxj s ARG 460 N -2.87 2.24 0.61 7.34 3.52 -1.26 -4.62 118.95 123.92 2wxj s ARG 460 Ca 0.49 -0.98 -0.11 0.00 -0.13 0.00 0.00 55.73 55.00 2wxj s ARG 460 Cb 0.39 -2.37 -0.04 0.00 -1.56 0.00 0.00 34.95 31.37 2wxj s ARG 460 CO 0.11 0.51 1.03 0.20 -0.81 0.00 0.00 175.30 176.35 2wxj s GLY 461 N -2.25 1.69 0.05 8.12 0.00 -1.26 -4.87 107.32 108.79 2wxj s GLY 461 Ca 0.23 -0.07 -0.32 0.00 0.00 0.00 0.00 44.72 44.56 2wxj s GLY 461 CO 0.15 0.21 1.86 -2.01 0.00 0.00 0.00 173.10 173.31 2wxj n ASN 462 N -2.67 3.83 0.21 1.64 2.85 0.77 -4.91 115.26 116.98 2wxj n ASN 462 Ca 0.06 0.97 0.06 0.00 -0.11 0.00 0.00 54.58 55.56 2wxj n ASN 462 Cb 0.54 -1.48 0.44 0.00 1.24 0.00 0.00 39.78 40.52 2wxj n ASN 462 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 2wxj h PRO 463 N 9.02 0.00 -4.53 1.20 0.13 -1.89 -3.36 132.00 132.57 2wxj h PRO 463 Ca -0.48 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 2wxj h PRO 463 Cb 1.24 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.36 2wxj h PRO 463 CO 0.94 0.31 2.58 -1.71 -0.23 0.00 0.00 178.00 179.89 2wxj n ASN 464 N -3.75 3.54 0.21 1.44 2.85 -1.26 -4.70 115.26 113.58 2wxj n ASN 464 Ca -0.01 -2.79 0.10 0.00 -0.11 0.00 0.00 54.58 51.77 2wxj n ASN 464 Cb 0.41 -1.51 0.27 0.00 1.24 0.00 0.00 39.78 40.19 2wxj n ASN 464 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2wxj h THR 465 N 4.55 0.31 -0.93 -0.44 1.35 -1.92 -0.42 112.91 115.40 2wxj h THR 465 Ca 0.48 -1.24 0.02 0.00 -0.55 0.00 0.00 66.41 65.11 2wxj h THR 465 Cb 0.71 1.98 -0.05 0.00 -1.73 0.00 0.00 68.15 69.06 2wxj h THR 465 CO 1.80 0.16 0.62 -0.08 -0.25 0.00 0.00 175.52 177.76 2wxj h GLU 466 N 0.00 1.21 0.00 4.72 4.81 -1.95 -3.31 114.58 120.06 2wxj h GLU 466 Ca -0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2wxj h GLU 466 Cb 0.97 -0.27 0.00 0.00 0.63 0.00 0.00 28.75 30.08 2wxj h GLU 466 CO 0.02 0.80 -1.18 0.45 -0.73 0.00 0.00 179.01 178.37 2wxj n SER 467 N -4.45 1.89 -4.75 1.04 2.88 -1.15 -5.01 113.62 104.07 2wxj n SER 467 Ca 0.11 -0.23 -0.41 0.00 -1.33 0.00 0.00 58.87 57.01 2wxj n SER 467 Cb 0.03 1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 64.79 2wxj n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxj s ALA 468 N -2.51 3.42 0.35 -1.46 0.00 -0.18 -5.01 121.76 116.37 2wxj s ALA 468 Ca -0.01 0.92 -0.28 0.00 0.00 0.00 0.00 51.96 52.58 2wxj s ALA 468 Cb 0.07 -3.37 -0.10 0.00 0.00 0.00 0.00 23.12 19.72 2wxj s ALA 468 CO 0.44 -0.26 1.31 0.00 0.00 0.00 0.00 175.76 177.25 2wxj s ALA 469 N -0.63 3.44 -0.02 0.00 0.00 -1.26 -4.80 121.76 118.49 2wxj s ALA 469 Ca 0.48 1.26 0.03 0.00 0.00 0.00 0.00 51.96 53.73 2wxj s ALA 469 Cb -0.32 -3.48 -0.00 0.00 0.00 0.00 0.00 23.12 19.31 2wxj s ALA 469 CO 0.39 -0.69 -0.10 0.00 0.00 0.00 0.00 175.76 175.36 2wxj s ALA 470 N -1.17 0.91 -0.09 0.00 0.00 -1.26 0.26 121.76 120.40 2wxj s ALA 470 Ca 0.51 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 52.06 2wxj s ALA 470 Cb -0.39 -0.29 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2wxj s ALA 470 CO 0.52 0.18 -0.05 -0.51 0.00 0.00 0.00 175.76 175.90 2wxj s LEU 471 N 0.01 3.23 -0.18 0.00 1.43 -0.27 -2.39 118.68 120.51 2wxj s LEU 471 Ca -0.00 -0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.00 2wxj s LEU 471 Cb -0.07 -1.73 -0.03 0.00 0.03 0.00 0.00 46.19 44.39 2wxj s LEU 471 CO 0.00 0.31 0.03 -0.69 0.23 0.00 0.00 176.35 176.23 2wxj s VAL 472 N -0.49 4.38 0.38 -1.59 1.01 0.29 0.60 120.40 124.99 2wxj s VAL 472 Ca 0.08 -0.17 0.04 0.00 0.00 0.00 0.00 61.98 61.92 2wxj s VAL 472 Cb -0.12 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.26 2wxj s VAL 472 CO 0.02 0.45 0.13 0.27 0.00 0.00 0.00 175.10 175.97 2wxj s ILE 473 N 0.59 0.61 -0.22 2.22 -4.36 0.05 -1.17 121.20 118.91 2wxj s ILE 473 Ca 0.01 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.36 2wxj s ILE 473 Cb -0.13 -2.43 0.09 0.00 1.25 0.00 0.00 42.46 41.24 2wxj s ILE 473 CO 0.02 0.00 0.18 -0.47 0.24 0.00 0.00 174.94 174.91 2wxj s TYR 474 N -3.28 -0.08 -0.02 1.37 5.04 0.44 -1.74 117.35 119.08 2wxj s TYR 474 Ca 0.27 -0.17 -0.30 0.00 -2.44 0.00 0.00 57.07 54.43 2wxj s TYR 474 Cb 0.04 -0.56 -0.03 0.00 0.35 0.00 0.00 41.96 41.76 2wxj s TYR 474 CO 0.15 -0.67 1.05 -0.51 -1.34 0.00 0.00 175.55 174.23 2wxj s LEU 475 N 2.24 4.33 -0.31 6.97 1.02 0.73 -1.98 118.68 131.67 2wxj s LEU 475 Ca 0.06 1.71 -0.21 0.00 0.02 0.00 0.00 54.13 55.71 2wxj s LEU 475 Cb -0.16 -3.57 -0.01 0.00 0.02 0.00 0.00 46.19 42.48 2wxj s LEU 475 CO -0.19 -0.37 0.66 -2.16 0.02 0.00 0.00 176.35 174.31 2wxj s PRO 476 N 1.38 3.88 -0.11 1.29 0.05 -1.26 -4.07 135.00 136.15 2wxj s PRO 476 Ca 0.53 0.32 -0.29 0.00 0.05 0.00 0.00 61.00 61.60 2wxj s PRO 476 Cb -0.22 -3.74 -0.06 0.00 0.05 0.00 0.00 34.50 30.52 2wxj s PRO 476 CO 0.25 -0.62 2.02 -2.00 0.05 0.00 0.00 177.00 176.70 2wxj s GLU 477 N 2.70 3.66 -1.02 4.56 2.12 -1.26 -4.90 118.70 124.56 2wxj s GLU 477 Ca 0.27 2.21 -0.02 0.00 0.36 0.00 0.00 54.97 57.79 2wxj s GLU 477 Cb -0.15 -4.23 0.31 0.00 0.26 0.00 0.00 34.13 30.32 2wxj s GLU 477 CO 0.12 -1.50 1.59 1.33 -0.54 0.00 0.00 175.26 176.27 2wxj n VAL 478 N 6.62 5.49 0.00 3.70 0.24 -1.26 -5.19 118.33 127.93 2wxj n VAL 478 Ca 0.24 -5.92 0.00 0.00 -2.04 0.00 0.00 64.34 56.62 2wxj n VAL 478 Cb 0.43 -1.80 0.00 0.00 -1.47 0.00 0.00 33.84 31.00 2wxj n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxj n ALA 479 N 0.59 0.00 -2.36 2.33 0.00 -1.26 -4.95 120.51 114.86 2wxj n ALA 479 Ca 0.36 0.00 -0.27 0.00 0.00 0.00 0.00 53.44 53.53 2wxj n ALA 479 Cb 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.75 2wxj n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxj s PRO 482 N 4.74 3.55 -0.13 0.00 0.02 -1.26 -5.35 135.00 136.56 2wxj s PRO 482 Ca 0.00 0.09 0.01 0.00 0.02 0.00 0.00 61.00 61.12 2wxj s PRO 482 Cb 0.00 -2.45 0.02 0.00 0.02 0.00 0.00 34.50 32.09 2wxj s PRO 482 CO 0.00 -0.10 -0.13 0.14 -0.33 0.00 0.00 177.00 176.58 2wxj s VAL 483 N -2.60 1.46 0.34 3.83 -7.23 -1.26 -5.06 120.40 109.88 2wxj s VAL 483 Ca 0.46 -0.58 0.08 0.00 -1.81 0.00 0.00 61.98 60.13 2wxj s VAL 483 Cb -0.10 -1.37 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 2wxj s VAL 483 CO 0.41 0.44 0.21 -0.31 -0.31 0.00 0.00 175.10 175.54 2wxj s TYR 484 N 1.36 2.79 0.16 2.82 2.02 -1.26 -0.80 117.35 124.44 2wxj s TYR 484 Ca 0.01 -0.35 -0.30 0.00 -0.37 0.00 0.00 57.07 56.07 2wxj s TYR 484 Cb -0.13 -1.70 -0.07 0.00 -0.40 0.00 0.00 41.96 39.65 2wxj s TYR 484 CO -0.07 0.27 1.03 0.12 -1.57 0.00 0.00 175.55 175.33 2wxj s PHE 485 N -2.37 3.72 0.37 2.71 2.19 -0.63 -3.51 117.98 120.46 2wxj s PHE 485 Ca 0.39 1.71 -0.27 0.00 0.33 0.00 0.00 56.93 59.09 2wxj s PHE 485 Cb -0.04 -3.16 -0.09 0.00 -1.31 0.00 0.00 43.02 38.42 2wxj s PHE 485 CO 0.24 -0.19 1.27 -2.14 1.83 0.00 0.00 175.22 176.24 2wxj s PRO 486 N -0.32 4.16 0.59 10.12 0.02 -1.26 -4.97 135.00 143.35 2wxj s PRO 486 Ca 0.48 2.11 -0.19 0.00 0.02 0.00 0.00 61.00 63.42 2wxj s PRO 486 Cb -0.27 -2.88 -0.04 0.00 0.02 0.00 0.00 34.50 31.32 2wxj s PRO 486 CO 0.33 -0.32 1.10 0.00 -0.33 0.00 0.00 177.00 177.78 2wxj n ALA 487 N 0.42 0.62 -0.17 -1.55 0.00 -1.26 -4.72 120.51 113.85 2wxj n ALA 487 Ca 0.02 0.04 0.19 0.00 0.00 0.00 0.00 53.44 53.69 2wxj n ALA 487 Cb 0.43 -2.19 0.56 0.00 0.00 0.00 0.00 19.45 18.25 2wxj n ALA 487 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxj h LEU 488 N 0.73 0.30 -0.75 0.00 5.85 -1.98 0.40 115.31 119.86 2wxj h LEU 488 Ca -0.49 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.36 2wxj h LEU 488 Cb 1.35 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 42.27 2wxj h LEU 488 CO 0.53 0.14 0.38 -0.08 -0.34 0.00 0.00 178.44 179.06 2wxj h GLU 489 N 0.31 0.60 -0.03 1.25 4.22 -1.99 0.59 114.58 119.53 2wxj h GLU 489 Ca 0.39 -0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.79 2wxj h GLU 489 Cb 1.08 -0.14 -0.00 0.00 0.50 0.00 0.00 28.75 30.19 2wxj h GLU 489 CO -0.11 0.40 0.00 0.87 -2.18 0.00 0.00 179.01 177.99 2wxj h LYS 490 N 0.62 0.05 -1.00 1.92 1.79 -1.30 -3.00 116.57 115.65 2wxj h LYS 490 Ca 0.38 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.86 2wxj h LYS 490 Cb 0.42 -0.00 -0.06 0.00 -1.58 0.00 0.00 32.23 31.01 2wxj h LYS 490 CO -0.29 0.34 0.66 0.82 -1.08 0.00 0.00 179.45 179.90 2wxj h ILE 491 N -0.24 1.19 -0.20 1.86 1.08 -0.24 -1.32 117.51 119.64 2wxj h ILE 491 Ca 0.01 -0.44 -0.07 0.00 -0.39 0.00 0.00 64.86 63.96 2wxj h ILE 491 Cb 0.32 -0.21 -0.01 0.00 -3.07 0.00 0.00 36.82 33.84 2wxj h ILE 491 CO 0.00 0.23 -0.19 -0.07 -0.69 0.00 0.00 178.15 177.43 2wxj h LEU 492 N 1.29 0.34 -0.42 1.44 3.38 0.06 -2.83 115.31 118.57 2wxj h LEU 492 Ca 0.39 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.27 2wxj h LEU 492 Cb -0.03 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 2wxj h LEU 492 CO -0.12 0.55 0.27 -0.33 0.09 0.00 0.00 178.44 178.91 2wxj h GLU 493 N 0.32 0.54 -7.63 1.13 5.08 -1.10 -3.49 114.58 109.43 2wxj h GLU 493 Ca 0.06 -0.03 -0.44 0.00 -1.00 0.00 0.00 59.36 57.95 2wxj h GLU 493 Cb 0.53 -0.12 0.17 0.00 0.50 0.00 0.00 28.75 29.83 2wxj h GLU 493 CO 0.03 0.36 0.31 -1.17 -1.00 0.00 0.00 179.01 177.54 2wxj s LEU 494 N -10.17 1.92 0.00 1.33 2.96 -0.99 -5.13 118.68 108.60 2wxj s LEU 494 Ca -0.13 0.48 0.00 0.00 -0.22 0.00 0.00 54.13 54.26 2wxj s LEU 494 Cb 0.11 -2.44 0.00 0.00 0.50 0.00 0.00 46.19 44.36 2wxj s LEU 494 CO 0.73 -3.20 0.00 0.00 -1.32 0.00 0.00 176.35 172.56 2wxj n LEU 511 N -4.11 0.00 -0.04 -0.68 -0.00 -1.26 -4.87 117.00 106.04 2wxj n LEU 511 Ca 0.13 0.00 -0.12 0.00 -0.00 0.00 0.00 56.01 56.02 2wxj n LEU 511 Cb 0.59 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.95 2wxj n LEU 511 CO 0.47 0.00 0.73 0.03 -0.00 0.00 0.00 177.39 178.62 2wxj h ARG 512 N 0.00 0.20 0.02 1.47 2.47 -2.00 -3.18 114.38 113.36 2wxj h ARG 512 Ca 0.00 -0.07 -0.00 0.00 -1.26 0.00 0.00 59.98 58.65 2wxj h ARG 512 Cb 0.00 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.30 2wxj h ARG 512 CO 0.00 0.46 -0.01 0.93 0.56 0.00 0.00 179.97 181.91 2wxj h GLU 513 N -0.08 -0.03 -0.86 0.04 5.08 -2.05 -1.85 114.58 114.82 2wxj h GLU 513 Ca 0.03 0.00 0.25 0.00 -1.00 0.00 0.00 59.36 58.64 2wxj h GLU 513 Cb 0.38 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2wxj h GLU 513 CO 0.01 0.09 0.84 0.97 -1.00 0.00 0.00 179.01 179.91 2wxj h ILE 514 N -0.15 0.24 0.00 3.13 6.09 -2.06 0.74 117.51 125.50 2wxj h ILE 514 Ca -0.00 0.00 -0.28 0.00 -1.37 0.00 0.00 64.86 63.21 2wxj h ILE 514 Cb 0.14 0.35 -0.05 0.00 0.47 0.00 0.00 36.82 37.73 2wxj h ILE 514 CO 0.01 0.00 -2.09 0.00 -3.07 0.00 0.00 178.15 172.99 2wxj n LEU 515 N -3.67 0.25 -3.47 2.19 -0.00 -1.10 -4.70 117.00 106.50 2wxj n LEU 515 Ca 0.18 0.12 -0.40 0.00 -0.00 0.00 0.00 56.01 55.91 2wxj n LEU 515 Cb 1.13 0.32 -0.01 0.00 -0.00 0.00 0.00 43.42 44.85 2wxj n LEU 515 CO 0.30 0.36 2.73 -0.62 -0.00 0.00 0.00 177.39 180.16 2wxj n GLU 516 N -2.74 4.11 -2.16 1.47 1.02 0.26 -5.08 120.64 117.51 2wxj n GLU 516 Ca -0.23 -2.99 -0.02 0.00 -0.02 0.00 0.00 57.16 53.90 2wxj n GLU 516 Cb 1.01 -2.75 0.02 0.00 -0.02 0.00 0.00 31.44 29.70 2wxj n GLU 516 CO 0.00 0.00 0.00 2.89 1.18 0.00 0.00 177.13 181.20 2wxj n ARG 517 N 2.80 0.37 0.00 3.49 0.00 -1.26 -4.93 116.66 117.13 2wxj n ARG 517 Ca 0.66 -0.55 0.00 0.00 -0.00 0.00 0.00 57.85 57.95 2wxj n ARG 517 Cb 0.26 0.07 0.00 0.00 -0.00 0.00 0.00 32.46 32.79 2wxj n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxj n GLU 522 N -0.48 0.00 -3.91 2.89 1.02 -1.26 -5.18 120.64 113.72 2wxj n GLU 522 Ca -0.12 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 56.91 2wxj n GLU 522 Cb 0.64 0.00 -0.12 0.00 -0.02 0.00 0.00 31.44 31.93 2wxj n GLU 522 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2wxj s LEU 523 N 0.00 2.00 0.80 -4.62 2.34 -1.26 -5.15 118.68 112.79 2wxj s LEU 523 Ca 0.00 -0.20 -0.12 0.00 0.06 0.00 0.00 54.13 53.87 2wxj s LEU 523 Cb 0.00 0.16 0.08 0.00 -0.56 0.00 0.00 46.19 45.87 2wxj s LEU 523 CO 0.00 -0.17 1.14 -0.31 -1.06 0.00 0.00 176.35 175.96 2wxj s TYR 524 N -0.74 2.10 0.48 3.48 2.02 -1.26 -4.71 117.35 118.71 2wxj s TYR 524 Ca -0.08 1.65 0.13 0.00 -0.37 0.00 0.00 57.07 58.40 2wxj s TYR 524 Cb -0.05 -3.28 1.11 0.00 -0.40 0.00 0.00 41.96 39.34 2wxj s TYR 524 CO -0.00 -2.36 2.10 1.49 -1.57 0.00 0.00 175.55 175.20 2wxj h GLU 525 N -1.03 0.16 -0.00 -0.62 4.81 -2.01 0.52 114.58 116.40 2wxj h GLU 525 Ca -0.45 -0.01 -0.18 0.00 -0.13 0.00 0.00 59.36 58.59 2wxj h GLU 525 Cb 1.26 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.59 2wxj h GLU 525 CO 0.48 0.13 -0.81 1.12 -0.73 0.00 0.00 179.01 179.19 2wxj h HIS 526 N 0.16 0.14 -0.59 0.92 2.07 -2.00 -2.98 115.15 112.86 2wxj h HIS 526 Ca 0.04 -0.07 -0.10 0.00 -2.85 0.00 0.00 60.37 57.39 2wxj h HIS 526 Cb 0.03 -0.02 -0.02 0.00 2.57 0.00 0.00 27.41 29.97 2wxj h HIS 526 CO 0.00 0.86 -0.01 0.93 -3.07 0.00 0.00 177.93 176.65 2wxj h GLU 527 N 0.05 1.05 0.07 5.12 5.08 -1.30 -2.77 114.58 121.88 2wxj h GLU 527 Ca -0.02 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.02 2wxj h GLU 527 Cb 1.42 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 30.53 2wxj h GLU 527 CO 0.11 1.03 -0.37 0.87 -1.00 0.00 0.00 179.01 179.66 2wxj h LYS 528 N 0.94 -0.55 -0.65 2.33 1.57 -1.17 -2.67 116.57 116.37 2wxj h LYS 528 Ca 0.17 0.04 0.12 0.00 -1.87 0.00 0.00 60.65 59.10 2wxj h LYS 528 Cb 0.56 0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.96 2wxj h LYS 528 CO 0.03 -0.37 0.44 -0.44 -0.57 0.00 0.00 179.45 178.54 2wxj h ASP 529 N -0.57 0.37 0.07 0.86 3.32 -1.39 -1.28 116.42 117.79 2wxj h ASP 529 Ca 0.04 0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.10 2wxj h ASP 529 Cb 0.63 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.11 2wxj h ASP 529 CO -0.25 0.21 -0.03 0.25 -1.72 0.00 0.00 179.24 177.70 2wxj h LEU 530 N 0.40 -0.08 -0.20 1.55 5.85 -1.21 -2.68 115.31 118.95 2wxj h LEU 530 Ca 0.31 -0.24 0.05 0.00 0.84 0.00 0.00 57.88 58.84 2wxj h LEU 530 Cb 0.66 0.02 -0.05 0.00 0.37 0.00 0.00 40.66 41.66 2wxj h LEU 530 CO -0.09 0.20 -0.12 0.58 -0.34 0.00 0.00 178.44 178.68 2wxj h VAL 531 N -0.35 0.65 -0.93 1.05 2.07 -0.93 -1.97 116.25 115.84 2wxj h VAL 531 Ca -0.01 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.58 2wxj h VAL 531 Cb 0.31 0.65 -0.07 0.00 -1.52 0.00 0.00 31.29 30.66 2wxj h VAL 531 CO 0.01 0.00 0.59 -0.25 0.02 0.00 0.00 177.57 177.94 2wxj h TRP 532 N -0.10 1.08 0.00 1.57 2.91 -1.42 -0.22 115.95 119.77 2wxj h TRP 532 Ca 0.11 0.03 -0.06 0.00 1.13 0.00 0.00 58.89 60.10 2wxj h TRP 532 Cb 0.27 -0.35 -0.01 0.00 -0.51 0.00 0.00 29.16 28.56 2wxj h TRP 532 CO -0.27 0.53 -0.28 -0.22 -1.03 0.00 0.00 178.44 177.16 2wxj h LYS 533 N 1.04 0.00 -0.26 2.65 1.63 -1.11 -2.76 116.57 117.76 2wxj h LYS 533 Ca 0.42 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.22 2wxj h LYS 533 Cb 0.23 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.86 2wxj h LYS 533 CO -0.19 0.28 0.00 -1.33 -3.45 0.00 0.00 179.45 174.76 2wxj n MET 534 N -4.02 1.90 -0.36 1.90 2.81 -0.18 -4.60 117.12 114.57 2wxj n MET 534 Ca -0.02 -1.37 0.27 0.00 -1.81 0.00 0.00 57.70 54.78 2wxj n MET 534 Cb 0.35 -1.39 0.54 0.00 -0.71 0.00 0.00 33.22 32.00 2wxj n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxj h ARG 535 N 2.58 0.27 -0.26 0.03 0.11 -1.03 0.28 114.38 116.36 2wxj h ARG 535 Ca 0.00 -0.02 -0.07 0.00 0.10 0.00 0.00 59.98 60.00 2wxj h ARG 535 Cb 0.57 -0.06 -0.01 0.00 1.11 0.00 0.00 29.97 31.58 2wxj h ARG 535 CO 0.00 0.18 -0.10 0.45 0.10 0.00 0.00 179.97 180.60 2wxj h HIS 536 N 0.28 0.61 0.00 4.08 3.86 -1.87 -1.17 115.15 120.94 2wxj h HIS 536 Ca 0.71 -0.14 -0.03 0.00 -1.16 0.00 0.00 60.37 59.75 2wxj h HIS 536 Cb 1.88 -0.14 -0.00 0.00 1.06 0.00 0.00 27.41 30.20 2wxj h HIS 536 CO -0.01 0.77 -0.12 1.05 0.86 0.00 0.00 177.93 180.48 2wxj h GLU 537 N 0.27 0.00 -0.15 2.45 9.09 -1.02 -0.95 114.58 124.26 2wxj h GLU 537 Ca 0.06 0.00 -0.03 0.00 0.05 0.00 0.00 59.36 59.44 2wxj h GLU 537 Cb 0.60 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.70 2wxj h GLU 537 CO 0.03 0.12 -0.03 0.28 0.05 0.00 0.00 179.01 179.47 2wxj h VAL 538 N 0.00 1.29 -0.01 -1.06 2.07 -0.43 -1.07 116.25 117.04 2wxj h VAL 538 Ca -0.00 -0.98 0.01 0.00 0.82 0.00 0.00 66.70 66.55 2wxj h VAL 538 Cb 0.74 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.13 2wxj h VAL 538 CO 0.02 0.29 -0.03 -0.61 0.02 0.00 0.00 177.57 177.25 2wxj h GLN 539 N -0.01 -0.05 0.02 1.57 4.15 -0.81 0.18 115.11 120.16 2wxj h GLN 539 Ca 0.04 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.25 2wxj h GLN 539 Cb 0.46 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 28.15 2wxj h GLN 539 CO 0.01 -0.03 -0.95 0.93 -1.93 0.00 0.00 178.83 176.86 2wxj h GLU 540 N -0.05 0.23 0.00 1.69 5.08 -1.24 -3.33 114.58 116.97 2wxj h GLU 540 Ca 0.02 -0.28 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 2wxj h GLU 540 Cb 0.07 0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.41 2wxj h GLU 540 CO -0.04 1.02 0.00 0.72 -1.00 0.00 0.00 179.01 179.71 2wxj n HIS 541 N -3.63 0.00 -2.72 4.33 8.25 -0.41 -4.78 115.22 116.26 2wxj n HIS 541 Ca -0.05 -0.03 -0.05 0.00 -0.26 0.00 0.00 57.72 57.34 2wxj n HIS 541 Cb 0.85 -0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.04 2wxj n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxj n PHE 542 N -0.03 -0.34 -0.05 4.41 3.72 0.01 -4.99 117.46 120.20 2wxj n PHE 542 Ca 0.00 -2.18 0.24 0.00 -0.05 0.00 0.00 57.45 55.46 2wxj n PHE 542 Cb 0.09 0.54 0.72 0.00 -0.94 0.00 0.00 39.48 39.88 2wxj n PHE 542 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxj h PRO 543 N 2.23 0.00 0.00 -1.08 0.13 -1.56 0.29 132.00 132.00 2wxj h PRO 543 Ca -0.23 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 2wxj h PRO 543 Cb 1.26 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.39 2wxj h PRO 543 CO 0.13 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.29 2wxj n GLU 544 N -3.95 0.13 -0.12 0.86 1.02 -1.26 -2.45 120.64 114.87 2wxj n GLU 544 Ca 0.13 0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.54 2wxj n GLU 544 Cb 0.82 -1.50 0.32 0.00 -0.02 0.00 0.00 31.44 31.06 2wxj n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxj n ALA 545 N -1.39 2.49 -0.33 0.62 0.00 0.10 -4.54 120.51 117.46 2wxj n ALA 545 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 53.44 52.86 2wxj n ALA 545 Cb 0.17 -1.03 0.05 0.00 0.00 0.00 0.00 19.45 18.64 2wxj n ALA 545 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wxj n LEU 546 N 0.62 -0.53 -0.32 0.00 7.94 -1.03 -0.74 117.00 122.95 2wxj n LEU 546 Ca 0.16 1.52 0.08 0.00 -1.11 0.00 0.00 56.01 56.66 2wxj n LEU 546 Cb 0.39 -0.37 0.24 0.00 0.53 0.00 0.00 43.42 44.21 2wxj n LEU 546 CO 0.13 -1.38 1.14 0.00 -1.11 0.00 0.00 177.39 176.17 2wxj h ALA 547 N 1.29 1.37 -0.15 1.96 0.00 -1.88 0.33 119.26 122.18 2wxj h ALA 547 Ca 0.32 0.07 -0.09 0.00 0.00 0.00 0.00 54.91 55.20 2wxj h ALA 547 Cb 0.54 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2wxj h ALA 547 CO -0.87 -0.00 -0.32 -0.09 0.00 0.00 0.00 179.25 177.96 2wxj h ARG 548 N 0.73 0.31 -0.06 0.00 2.43 -1.28 -2.21 114.38 114.30 2wxj h ARG 548 Ca 0.48 -0.12 -0.22 0.00 -0.81 0.00 0.00 59.98 59.31 2wxj h ARG 548 Cb 0.63 -0.01 0.01 0.00 -0.42 0.00 0.00 29.97 30.17 2wxj h ARG 548 CO -0.33 0.60 -0.86 1.25 -1.51 0.00 0.00 179.97 179.11 2wxj h LEU 549 N 0.27 0.70 -1.20 3.80 5.85 -0.80 -3.09 115.31 120.83 2wxj h LEU 549 Ca 0.03 -0.51 -0.05 0.00 0.84 0.00 0.00 57.88 58.19 2wxj h LEU 549 Cb 0.70 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.50 2wxj h LEU 549 CO 0.05 1.29 -0.02 -0.07 -0.34 0.00 0.00 178.44 179.36 2wxj h LEU 550 N 0.36 0.50 -0.09 2.25 3.38 -0.71 -1.28 115.31 119.71 2wxj h LEU 550 Ca -0.07 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2wxj h LEU 550 Cb 1.48 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 42.10 2wxj h LEU 550 CO 0.16 0.58 0.00 0.18 0.09 0.00 0.00 178.44 179.45 2wxj n LEU 551 N -4.27 0.33 -0.02 1.67 4.77 -0.86 -3.33 117.00 115.29 2wxj n LEU 551 Ca 0.01 0.54 0.06 0.00 -0.03 0.00 0.00 56.01 56.60 2wxj n LEU 551 Cb 0.26 -0.46 -0.15 0.00 -2.33 0.00 0.00 43.42 40.74 2wxj n LEU 551 CO 0.39 -0.17 -0.80 1.33 -1.33 0.00 0.00 177.39 176.81 2wxj n VAL 552 N -1.82 0.23 -1.75 4.08 0.24 -0.78 -4.98 118.33 113.55 2wxj n VAL 552 Ca 0.05 -0.51 -0.39 0.00 -2.04 0.00 0.00 64.34 61.45 2wxj n VAL 552 Cb 0.32 -0.06 0.03 0.00 -1.47 0.00 0.00 33.84 32.67 2wxj n VAL 552 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 2wxj n THR 553 N -2.28 3.28 -3.11 3.34 5.66 -0.55 -4.92 114.28 115.69 2wxj n THR 553 Ca -0.08 -0.50 -0.44 0.00 -3.05 0.00 0.00 64.05 59.97 2wxj n THR 553 Cb 0.62 -1.75 -0.05 0.00 -1.55 0.00 0.00 70.33 67.61 2wxj n THR 553 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 175.07 171.48 2wxj s LYS 554 N -2.64 3.07 0.00 1.09 1.02 -1.26 -4.90 119.74 116.11 2wxj s LYS 554 Ca 0.66 -1.17 0.31 0.00 0.02 0.00 0.00 55.97 55.79 2wxj s LYS 554 Cb -0.44 -4.21 1.66 0.00 -0.52 0.00 0.00 37.83 34.32 2wxj s LYS 554 CO 0.54 -1.46 2.11 0.91 -0.92 0.00 0.00 175.35 176.53 2wxj n TRP 555 N 6.34 0.00 0.98 3.18 7.02 -1.26 -2.93 117.44 130.77 2wxj n TRP 555 Ca -0.08 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.51 2wxj n TRP 555 Cb 0.43 -0.17 0.08 0.00 -2.42 0.00 0.00 31.31 29.23 2wxj n TRP 555 CO 0.00 0.00 0.00 0.27 -2.02 0.00 0.00 177.69 175.94 2wxj n ASN 556 N -1.15 2.77 -4.23 -0.99 6.94 -1.26 -4.33 115.26 113.01 2wxj n ASN 556 Ca 0.18 -1.89 -0.34 0.00 -0.02 0.00 0.00 54.58 52.52 2wxj n ASN 556 Cb 0.19 0.09 -0.15 0.00 -2.36 0.00 0.00 39.78 37.56 2wxj n ASN 556 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 2wxj s LYS 557 N -2.06 3.18 0.29 -3.83 -0.14 -1.15 -4.83 119.74 111.21 2wxj s LYS 557 Ca 0.26 -0.74 0.05 0.00 -1.36 0.00 0.00 55.97 54.18 2wxj s LYS 557 Cb 0.19 -2.71 0.44 0.00 -1.68 0.00 0.00 37.83 34.07 2wxj s LYS 557 CO 0.35 -0.12 1.70 1.12 -0.76 0.00 0.00 175.35 177.64 2wxj h HIS 558 N 7.74 0.34 -0.58 3.18 2.07 -1.84 -3.09 115.15 122.97 2wxj h HIS 558 Ca -0.40 -0.09 -0.06 0.00 -2.85 0.00 0.00 60.37 56.98 2wxj h HIS 558 Cb 1.16 -0.08 -0.03 0.00 2.57 0.00 0.00 27.41 31.04 2wxj h HIS 558 CO 0.52 0.64 0.13 0.93 -3.07 0.00 0.00 177.93 177.08 2wxj h GLU 559 N 0.25 0.90 -0.14 5.12 5.08 -1.93 -2.45 114.58 121.40 2wxj h GLU 559 Ca 0.03 -0.19 -0.14 0.00 -1.00 0.00 0.00 59.36 58.06 2wxj h GLU 559 Cb 0.79 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.90 2wxj h GLU 559 CO 0.06 0.81 -0.50 -0.44 -1.00 0.00 0.00 179.01 177.94 2wxj h ASP 560 N 0.86 0.42 -0.25 1.42 5.19 -1.82 -2.55 116.42 119.68 2wxj h ASP 560 Ca 0.19 -0.21 -0.06 0.00 -0.62 0.00 0.00 57.03 56.33 2wxj h ASP 560 Cb 0.32 -0.12 -0.01 0.00 0.18 0.00 0.00 39.33 39.70 2wxj h ASP 560 CO 0.00 0.85 -0.07 0.58 -3.12 0.00 0.00 179.24 177.48 2wxj h VAL 561 N 0.31 1.29 -0.99 -1.35 2.07 -1.44 -0.02 116.25 116.12 2wxj h VAL 561 Ca 0.01 -1.09 0.20 0.00 0.82 0.00 0.00 66.70 66.65 2wxj h VAL 561 Cb 0.98 1.48 -0.10 0.00 -1.52 0.00 0.00 31.29 32.14 2wxj h VAL 561 CO 0.08 0.34 0.62 0.00 0.02 0.00 0.00 177.57 178.63 2wxj h ALA 562 N 0.76 1.87 0.80 1.67 0.00 -1.45 0.51 119.26 123.42 2wxj h ALA 562 Ca 0.06 0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.99 2wxj h ALA 562 Cb 0.54 -0.06 0.01 0.00 0.00 0.00 0.00 17.79 18.28 2wxj h ALA 562 CO 0.03 -0.23 -0.39 0.37 0.00 0.00 0.00 179.25 179.03 2wxj h GLN 563 N 0.63 -1.04 -0.59 0.00 5.75 -0.89 -2.31 115.11 116.66 2wxj h GLN 563 Ca 0.56 0.07 0.04 0.00 -0.15 0.00 0.00 58.65 59.16 2wxj h GLN 563 Cb 1.04 0.24 -0.04 0.00 1.07 0.00 0.00 27.48 29.78 2wxj h GLN 563 CO -0.32 -0.68 0.34 1.98 -2.65 0.00 0.00 178.83 177.50 2wxj h MET 564 N -1.21 0.64 -0.13 1.69 4.05 -0.61 -2.56 114.93 116.80 2wxj h MET 564 Ca -0.11 -0.04 0.01 0.00 -0.28 0.00 0.00 59.70 59.28 2wxj h MET 564 Cb 0.84 -0.15 -0.01 0.00 -0.80 0.00 0.00 31.60 31.48 2wxj h MET 564 CO 0.18 0.43 0.07 -0.07 0.23 0.00 0.00 176.91 177.74 2wxj h LEU 565 N 0.66 0.10 -1.08 3.39 4.07 -0.97 -0.41 115.31 121.08 2wxj h LEU 565 Ca 0.25 0.00 0.18 0.00 0.08 0.00 0.00 57.88 58.39 2wxj h LEU 565 Cb 0.08 -0.02 -0.10 0.00 1.08 0.00 0.00 40.66 41.70 2wxj h LEU 565 CO -0.13 0.08 0.61 0.22 -1.08 0.00 0.00 178.44 178.15 2wxj h TYR 566 N 0.15 1.01 -0.24 1.13 3.20 -1.02 0.32 116.97 121.51 2wxj h TYR 566 Ca 0.05 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.82 2wxj h TYR 566 Cb 0.01 -0.31 -0.01 0.00 1.54 0.00 0.00 36.73 37.96 2wxj h TYR 566 CO -0.09 0.26 -0.40 -0.07 -1.64 0.00 0.00 178.16 176.22 2wxj h LEU 567 N 0.75 0.60 -1.05 2.82 3.38 -1.11 -3.22 115.31 117.48 2wxj h LEU 567 Ca 0.55 -0.26 -0.05 0.00 0.09 0.00 0.00 57.88 58.21 2wxj h LEU 567 Cb 0.88 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 2wxj h LEU 567 CO -0.33 0.93 0.12 0.25 0.09 0.00 0.00 178.44 179.50 2wxj h LEU 568 N 0.46 0.75 -1.86 1.67 5.85 0.13 -2.69 115.31 119.62 2wxj h LEU 568 Ca 0.04 -0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.62 2wxj h LEU 568 Cb 0.90 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.73 2wxj h LEU 568 CO 0.08 0.74 -0.05 0.00 -0.34 0.00 0.00 178.44 178.87 2wxj n SER 570 N -3.23 2.71 -4.74 0.00 3.41 -1.13 -5.03 113.62 105.60 2wxj n SER 570 Ca -0.01 -1.87 -0.41 0.00 -0.26 0.00 0.00 58.87 56.32 2wxj n SER 570 Cb 0.25 -0.18 -0.03 0.00 -0.26 0.00 0.00 64.21 64.00 2wxj n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxj s TRP 571 N -0.99 3.17 0.61 7.33 -0.11 -0.68 -4.97 118.94 123.30 2wxj s TRP 571 Ca 0.21 1.16 -0.19 0.00 1.22 0.00 0.00 56.10 58.50 2wxj s TRP 571 Cb 0.12 -3.68 -0.03 0.00 -1.50 0.00 0.00 33.47 28.38 2wxj s TRP 571 CO 0.16 -2.16 1.26 -2.14 -4.62 0.00 0.00 176.95 169.45 2wxj s PRO 572 N -0.25 2.83 0.38 5.86 0.02 -1.26 -4.95 135.00 137.63 2wxj s PRO 572 Ca 0.57 1.98 -0.27 0.00 0.02 0.00 0.00 61.00 63.30 2wxj s PRO 572 Cb -0.38 -1.94 -0.11 0.00 0.02 0.00 0.00 34.50 32.08 2wxj s PRO 572 CO 0.40 -1.36 1.34 0.39 -0.33 0.00 0.00 177.00 177.44 2wxj n GLU 573 N -1.63 2.21 -4.07 5.54 1.02 -1.26 -5.01 120.64 117.45 2wxj n GLU 573 Ca 0.14 0.78 -0.27 0.00 -0.02 0.00 0.00 57.16 57.79 2wxj n GLU 573 Cb 0.48 -2.44 -0.05 0.00 -0.02 0.00 0.00 31.44 29.41 2wxj n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxj s LEU 574 N -1.52 3.85 0.50 -4.62 1.43 -1.26 -5.08 118.68 111.97 2wxj s LEU 574 Ca 0.57 -0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.35 2wxj s LEU 574 Cb -0.52 -2.46 -0.07 0.00 0.03 0.00 0.00 46.19 43.16 2wxj s LEU 574 CO 0.61 0.08 1.31 -2.65 0.23 0.00 0.00 176.35 175.93 2wxj n PRO 575 N -0.26 1.78 -0.35 1.29 -0.02 -1.26 -4.73 135.00 131.45 2wxj n PRO 575 Ca -0.08 0.65 0.05 0.00 -2.02 0.00 0.00 63.50 62.10 2wxj n PRO 575 Cb 0.54 -2.49 0.13 0.00 -0.02 0.00 0.00 33.50 31.66 2wxj n PRO 575 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2wxj n VAL 576 N -0.73 -0.41 -0.06 -1.45 0.31 -1.26 -0.82 118.33 113.90 2wxj n VAL 576 Ca 0.09 2.21 -0.10 0.00 -0.01 0.00 0.00 64.34 66.53 2wxj n VAL 576 Cb 0.43 -3.05 -0.04 0.00 -0.91 0.00 0.00 33.84 30.27 2wxj n VAL 576 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 2wxj h LEU 577 N 0.00 -1.19 -0.98 7.52 5.85 -1.97 0.38 115.31 124.93 2wxj h LEU 577 Ca 0.45 0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.41 2wxj h LEU 577 Cb 0.69 0.52 -0.06 0.00 0.37 0.00 0.00 40.66 42.18 2wxj h LEU 577 CO -0.99 -0.36 0.63 0.28 -0.34 0.00 0.00 178.44 177.66 2wxj h SER 578 N -0.36 1.03 -0.23 1.25 0.02 -1.33 -2.79 113.55 111.14 2wxj h SER 578 Ca 0.12 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.01 2wxj h SER 578 Cb 0.57 -0.22 -0.02 0.00 0.14 0.00 0.00 62.40 62.87 2wxj h SER 578 CO -0.47 0.68 -0.06 0.00 -1.14 0.00 0.00 176.83 175.85 2wxj h ALA 579 N 1.42 1.24 -0.10 3.77 0.00 0.27 -2.72 119.26 123.14 2wxj h ALA 579 Ca 0.41 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 2wxj h ALA 579 Cb 0.09 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2wxj h ALA 579 CO -0.15 0.50 -0.26 -0.07 0.00 0.00 0.00 179.25 179.27 2wxj h LEU 580 N 0.54 0.18 -0.13 0.00 3.38 -0.70 -2.91 115.31 115.68 2wxj h LEU 580 Ca 0.11 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 2wxj h LEU 580 Cb 0.44 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 2wxj h LEU 580 CO 0.02 0.45 -0.05 -0.08 0.09 0.00 0.00 178.44 178.87 2wxj h GLU 581 N 0.17 0.27 -0.03 1.13 4.81 -1.41 -3.18 114.58 116.33 2wxj h GLU 581 Ca 0.03 -0.11 0.01 0.00 -0.13 0.00 0.00 59.36 59.15 2wxj h GLU 581 Cb 0.56 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2wxj h GLU 581 CO 0.04 0.59 0.21 -0.07 -0.73 0.00 0.00 179.01 179.05 2wxj h LEU 582 N -0.07 0.00 0.00 1.64 3.38 -1.30 -1.08 115.31 117.88 2wxj h LEU 582 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2wxj h LEU 582 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2wxj h LEU 582 CO 0.02 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.73 2wxj n LEU 583 N -3.08 0.00 -4.76 1.67 4.77 -1.16 -4.66 117.00 109.77 2wxj n LEU 583 Ca -0.02 0.25 -0.31 0.00 -0.03 0.00 0.00 56.01 55.90 2wxj n LEU 583 Cb 0.28 -0.25 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2wxj n LEU 583 CO 0.18 -0.04 0.71 -0.62 -1.33 0.00 0.00 177.39 176.28 2wxj s ASP 584 N -2.50 4.49 0.64 -1.43 2.15 -0.41 -4.92 116.67 114.68 2wxj s ASP 584 Ca 0.25 1.90 0.39 0.00 0.43 0.00 0.00 52.55 55.52 2wxj s ASP 584 Cb 0.17 -2.53 2.19 0.00 -0.30 0.00 0.00 42.92 42.45 2wxj s ASP 584 CO 0.37 -2.05 2.32 0.15 -0.17 0.00 0.00 175.17 175.80 2wxj h PHE 585 N -0.95 0.00 0.00 -5.34 3.57 -1.89 -1.70 116.94 110.63 2wxj h PHE 585 Ca -0.44 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.06 2wxj h PHE 585 Cb 1.24 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.98 2wxj h PHE 585 CO 0.56 0.00 0.00 0.43 -2.23 0.00 0.00 178.31 177.08 2wxj n SER 586 N -3.35 0.28 -3.08 0.41 7.64 -1.26 -3.55 113.62 110.70 2wxj n SER 586 Ca -0.03 -1.23 -0.20 0.00 1.01 0.00 0.00 58.87 58.42 2wxj n SER 586 Cb 0.09 -0.14 -0.04 0.00 -1.01 0.00 0.00 64.21 63.11 2wxj n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxj n PHE 587 N -0.19 -1.11 0.20 1.43 3.72 -0.64 -4.90 117.46 115.97 2wxj n PHE 587 Ca 0.00 -3.11 0.08 0.00 -0.05 0.00 0.00 57.45 54.37 2wxj n PHE 587 Cb 0.07 0.13 0.33 0.00 -0.94 0.00 0.00 39.48 39.07 2wxj n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxj h PRO 588 N 4.01 0.00 -6.70 -1.08 0.13 -1.78 -3.43 132.00 123.15 2wxj h PRO 588 Ca 0.02 0.00 -0.57 0.00 -0.87 0.00 0.00 66.00 64.58 2wxj h PRO 588 Cb 0.92 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.14 2wxj h PRO 588 CO 0.43 0.27 0.63 -3.47 -0.23 0.00 0.00 178.00 175.63 2wxj n ASP 589 N -3.32 3.00 0.19 1.44 2.03 -1.26 -4.86 116.55 113.77 2wxj n ASP 589 Ca 0.01 1.17 0.05 0.00 0.52 0.00 0.00 54.79 56.54 2wxj n ASP 589 Cb 0.51 -1.49 0.34 0.00 -0.72 0.00 0.00 41.12 39.76 2wxj n ASP 589 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2wxj h TYR 591 N 0.00 0.69 -0.36 0.00 0.05 -1.98 -1.28 116.97 114.09 2wxj h TYR 591 Ca -0.00 -0.18 0.03 0.00 0.05 0.00 0.00 58.73 58.63 2wxj h TYR 591 Cb 0.88 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.43 2wxj h TYR 591 CO 0.00 0.85 0.16 0.28 -1.05 0.00 0.00 178.16 178.40 2wxj h VAL 592 N 0.32 0.95 -0.79 -2.88 2.07 -1.85 -1.72 116.25 112.36 2wxj h VAL 592 Ca 0.06 -0.12 -0.03 0.00 0.82 0.00 0.00 66.70 67.43 2wxj h VAL 592 Cb 0.68 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 31.00 2wxj h VAL 592 CO 0.05 0.06 0.37 1.23 0.02 0.00 0.00 177.57 179.29 2wxj h GLY 593 N 0.34 1.22 1.13 2.17 0.00 -1.22 0.12 103.07 106.84 2wxj h GLY 593 Ca 0.16 -0.62 -0.07 0.00 0.00 0.00 0.00 47.33 46.80 2wxj h GLY 593 CO -0.13 0.58 0.12 0.23 0.00 0.00 0.00 176.54 177.35 2wxj h SER 594 N 1.11 1.02 -0.38 0.19 0.87 -1.08 -0.62 113.55 114.66 2wxj h SER 594 Ca 0.27 -0.23 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 2wxj h SER 594 Cb 0.14 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.81 2wxj h SER 594 CO -0.03 1.00 0.20 0.15 -0.53 0.00 0.00 176.83 177.61 2wxj h PHE 595 N 1.00 0.53 0.07 2.24 3.57 -0.66 -0.75 116.94 122.95 2wxj h PHE 595 Ca 0.20 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.70 2wxj h PHE 595 Cb 0.41 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 2wxj h PHE 595 CO 0.03 0.43 -0.13 0.00 -2.23 0.00 0.00 178.31 176.41 2wxj h ALA 596 N 1.05 -0.21 -0.81 2.41 0.00 -0.63 0.22 119.26 121.30 2wxj h ALA 596 Ca 0.13 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.10 2wxj h ALA 596 Cb 0.08 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 2wxj h ALA 596 CO -0.02 -0.64 0.48 0.82 0.00 0.00 0.00 179.25 179.89 2wxj h ILE 597 N -0.25 0.99 -0.48 0.00 1.08 -1.12 -1.31 117.51 116.41 2wxj h ILE 597 Ca 0.02 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 64.14 2wxj h ILE 597 Cb 0.27 0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 34.06 2wxj h ILE 597 CO -0.08 0.16 0.07 0.50 -0.69 0.00 0.00 178.15 178.11 2wxj h LYS 598 N 0.86 0.76 0.00 2.37 3.64 -0.37 -1.34 116.57 122.48 2wxj h LYS 598 Ca 0.36 -0.17 -0.01 0.00 -1.27 0.00 0.00 60.65 59.57 2wxj h LYS 598 Cb 0.23 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2wxj h LYS 598 CO -0.20 0.72 -0.03 0.77 -2.27 0.00 0.00 179.45 178.44 2wxj h SER 599 N 0.72 0.00 0.73 4.20 0.02 0.09 -3.29 113.55 116.02 2wxj h SER 599 Ca 0.15 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wxj h SER 599 Cb 0.34 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.88 2wxj h SER 599 CO 0.01 0.03 -0.61 0.18 -1.14 0.00 0.00 176.83 175.30 2wxj n LEU 600 N -3.13 0.61 0.27 5.07 4.77 -0.54 -4.05 117.00 120.01 2wxj n LEU 600 Ca 0.01 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.27 2wxj n LEU 600 Cb 0.38 -0.20 0.76 0.00 -2.33 0.00 0.00 43.42 42.03 2wxj n LEU 600 CO 0.30 0.01 1.01 0.03 -1.33 0.00 0.00 177.39 177.40 2wxj h ARG 601 N 0.00 0.00 0.00 3.23 3.08 -1.54 -1.27 114.38 117.87 2wxj h ARG 601 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxj h ARG 601 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.72 2wxj h ARG 601 CO 0.00 0.09 0.00 0.36 -1.07 0.00 0.00 179.97 179.35 2wxj n LYS 602 N -3.70 0.74 -1.78 0.04 2.85 -1.26 -4.77 118.16 110.29 2wxj n LYS 602 Ca -0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 2wxj n LYS 602 Cb 0.20 -1.28 -0.02 0.00 -0.65 0.00 0.00 35.03 33.28 2wxj n LYS 602 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wxj s LEU 603 N -1.57 4.35 0.93 -5.58 1.43 -0.48 -5.01 118.68 112.76 2wxj s LEU 603 Ca 0.20 2.91 -0.12 0.00 -1.03 0.00 0.00 54.13 56.10 2wxj s LEU 603 Cb 0.09 -3.62 0.15 0.00 0.03 0.00 0.00 46.19 42.84 2wxj s LEU 603 CO 0.16 -0.92 1.10 0.42 0.23 0.00 0.00 176.35 177.33 2wxj s THR 604 N 0.32 2.41 0.27 5.49 -4.23 -1.26 -4.83 115.64 113.81 2wxj s THR 604 Ca 0.66 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 61.35 2wxj s THR 604 Cb -0.48 -2.65 0.02 0.00 1.34 0.00 0.00 72.50 70.73 2wxj s THR 604 CO 0.43 -0.17 1.67 0.44 -0.54 0.00 0.00 174.62 176.45 2wxj h ASP 605 N -1.65 0.33 -0.29 3.99 3.32 -1.98 -1.00 116.42 119.13 2wxj h ASP 605 Ca -0.51 -0.14 -0.09 0.00 0.02 0.00 0.00 57.03 56.30 2wxj h ASP 605 Cb 1.30 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.74 2wxj h ASP 605 CO 0.57 0.72 -0.12 0.44 -1.72 0.00 0.00 179.24 179.12 2wxj h ASP 606 N 0.26 0.70 0.11 6.45 3.32 -1.98 -0.86 116.42 124.42 2wxj h ASP 606 Ca 0.02 -0.21 -0.01 0.00 0.02 0.00 0.00 57.03 56.86 2wxj h ASP 606 Cb 0.85 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2wxj h ASP 606 CO 0.07 0.85 -0.05 -0.33 -1.72 0.00 0.00 179.24 178.05 2wxj h GLU 607 N 0.65 -0.14 -0.77 3.56 5.08 -1.89 -2.35 114.58 118.71 2wxj h GLU 607 Ca 0.11 0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.66 2wxj h GLU 607 Cb 0.58 0.03 -0.12 0.00 0.50 0.00 0.00 28.75 29.74 2wxj h GLU 607 CO 0.04 0.27 0.20 1.25 -1.00 0.00 0.00 179.01 179.77 2wxj h LEU 608 N -0.60 0.03 -0.69 1.33 5.85 -1.11 0.30 115.31 120.41 2wxj h LEU 608 Ca -0.02 0.16 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 2wxj h LEU 608 Cb 0.48 0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.68 2wxj h LEU 608 CO 0.02 -0.05 0.30 0.15 -0.34 0.00 0.00 178.44 178.52 2wxj h PHE 609 N 0.27 1.03 -0.13 1.25 3.57 -1.14 0.50 116.94 122.30 2wxj h PHE 609 Ca 0.45 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.92 2wxj h PHE 609 Cb 0.79 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2wxj h PHE 609 CO -0.26 0.79 0.10 0.37 -2.23 0.00 0.00 178.31 177.08 2wxj h GLN 610 N 0.98 0.00 -0.10 1.11 5.75 -0.40 -3.04 115.11 119.41 2wxj h GLN 610 Ca 0.23 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 2wxj h GLN 610 Cb 0.17 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.72 2wxj h GLN 610 CO -0.02 0.00 0.00 0.66 -2.65 0.00 0.00 178.83 176.82 2wxj n TYR 611 N -4.44 0.13 -0.30 3.99 4.01 -0.78 -4.73 117.16 115.04 2wxj n TYR 611 Ca 0.00 -0.39 -0.00 0.00 -0.16 0.00 0.00 57.90 57.35 2wxj n TYR 611 Cb 0.22 -0.03 0.12 0.00 -0.31 0.00 0.00 39.34 39.34 2wxj n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxj h LEU 612 N 0.75 0.85 -0.73 7.72 5.85 -0.79 -1.90 115.31 127.05 2wxj h LEU 612 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.84 2wxj h LEU 612 Cb 0.49 -0.17 -0.08 0.00 0.37 0.00 0.00 40.66 41.27 2wxj h LEU 612 CO 0.00 0.56 0.34 0.25 -0.34 0.00 0.00 178.44 179.24 2wxj h LEU 613 N 0.99 0.39 -0.17 2.25 5.85 -1.85 -1.55 115.31 121.22 2wxj h LEU 613 Ca 0.36 0.08 -0.20 0.00 0.84 0.00 0.00 57.88 58.95 2wxj h LEU 613 Cb 0.11 0.03 0.01 0.00 0.37 0.00 0.00 40.66 41.17 2wxj h LEU 613 CO -0.15 0.20 -0.69 1.56 -0.34 0.00 0.00 178.44 179.01 2wxj h GLN 614 N 0.54 0.77 -0.34 1.25 7.50 -1.72 -2.69 115.11 120.42 2wxj h GLN 614 Ca 0.38 -0.60 -0.01 0.00 0.50 0.00 0.00 58.65 58.92 2wxj h GLN 614 Cb 0.49 0.12 -0.02 0.00 0.05 0.00 0.00 27.48 28.12 2wxj h GLN 614 CO -0.33 1.21 0.15 -0.07 -1.50 0.00 0.00 178.83 178.30 2wxj h LEU 615 N 0.49 0.42 -0.34 1.46 3.38 -1.23 -1.89 115.31 117.59 2wxj h LEU 615 Ca -0.04 -0.03 -0.18 0.00 0.09 0.00 0.00 57.88 57.72 2wxj h LEU 615 Cb 1.32 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wxj h LEU 615 CO 0.15 0.37 -0.50 0.58 0.09 0.00 0.00 178.44 179.13 2wxj h VAL 616 N 0.47 1.27 -0.75 1.22 2.07 -1.25 -3.17 116.25 116.11 2wxj h VAL 616 Ca 0.12 -1.68 -0.02 0.00 0.82 0.00 0.00 66.70 65.94 2wxj h VAL 616 Cb 0.07 1.56 -0.04 0.00 -1.52 0.00 0.00 31.29 31.36 2wxj h VAL 616 CO -0.02 0.55 0.39 1.56 0.02 0.00 0.00 177.57 180.08 2wxj h GLN 617 N 0.69 1.05 0.00 1.57 1.08 -1.06 -1.79 115.11 116.64 2wxj h GLN 617 Ca 0.03 -0.13 0.00 0.00 -1.45 0.00 0.00 58.65 57.10 2wxj h GLN 617 Cb 1.10 -0.20 0.00 0.00 -0.05 0.00 0.00 27.48 28.32 2wxj h GLN 617 CO 0.11 0.78 0.00 0.28 -0.95 0.00 0.00 178.83 179.06 2wxj n VAL 618 N -4.35 0.77 0.19 -0.54 0.31 -0.77 -1.32 118.33 112.63 2wxj n VAL 618 Ca 0.08 0.19 0.04 0.00 -0.01 0.00 0.00 64.34 64.64 2wxj n VAL 618 Cb 0.11 -1.00 0.39 0.00 -0.91 0.00 0.00 33.84 32.44 2wxj n VAL 618 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 2wxj h LEU 619 N 0.00 0.00 -0.55 7.52 3.38 -1.36 -2.86 115.31 121.45 2wxj h LEU 619 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2wxj h LEU 619 Cb 0.12 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.87 2wxj h LEU 619 CO 0.00 0.36 0.00 0.29 0.09 0.00 0.00 178.44 179.18 2wxj n LYS 620 N -3.88 0.10 0.09 1.13 5.02 -0.43 -2.45 118.16 117.73 2wxj n LYS 620 Ca -0.01 0.44 0.10 0.00 -2.02 0.00 0.00 58.31 56.81 2wxj n LYS 620 Cb 0.42 -1.73 -0.02 0.00 -0.02 0.00 0.00 35.03 33.69 2wxj n LYS 620 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wxj n TYR 621 N -1.91 0.93 -1.84 2.13 4.01 -1.08 -4.66 117.16 114.74 2wxj n TYR 621 Ca 0.01 0.28 -0.39 0.00 -0.16 0.00 0.00 57.90 57.64 2wxj n TYR 621 Cb 0.13 -0.96 0.02 0.00 -0.31 0.00 0.00 39.34 38.22 2wxj n TYR 621 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wxj s GLU 622 N -3.31 3.48 0.02 -0.72 0.41 -1.03 -4.96 118.70 112.60 2wxj s GLU 622 Ca -0.01 2.28 0.06 0.00 -0.41 0.00 0.00 54.97 56.89 2wxj s GLU 622 Cb 0.10 -2.48 -0.24 0.00 -1.78 0.00 0.00 34.13 29.73 2wxj s GLU 622 CO 0.80 -0.93 0.91 0.77 -0.49 0.00 0.00 175.26 176.32 2wxj h SER 623 N 1.97 0.12 -4.05 -0.19 0.02 -1.94 -3.45 113.55 106.02 2wxj h SER 623 Ca -0.51 -0.17 -0.31 0.00 -0.84 0.00 0.00 61.79 59.96 2wxj h SER 623 Cb 1.28 -0.04 -0.15 0.00 0.14 0.00 0.00 62.40 63.63 2wxj h SER 623 CO 0.59 1.14 -0.71 -0.31 -1.14 0.00 0.00 176.83 176.41 2wxj s TYR 624 N -2.64 1.21 -0.02 3.45 2.02 -1.26 -4.86 117.35 115.25 2wxj s TYR 624 Ca -0.04 -0.78 -0.23 0.00 -0.37 0.00 0.00 57.07 55.65 2wxj s TYR 624 Cb 0.08 -0.63 -0.16 0.00 -0.40 0.00 0.00 41.96 40.85 2wxj s TYR 624 CO 0.83 0.05 1.06 -0.07 -1.57 0.00 0.00 175.55 175.85 2wxj h LEU 625 N 2.81 -0.24 -9.06 -1.29 3.38 -1.94 -3.40 115.31 105.58 2wxj h LEU 625 Ca -0.36 -0.28 -0.57 0.00 0.09 0.00 0.00 57.88 56.75 2wxj h LEU 625 Cb 1.19 0.06 -0.06 0.00 0.09 0.00 0.00 40.66 41.94 2wxj h LEU 625 CO 0.64 0.22 0.85 -0.62 0.09 0.00 0.00 178.44 179.62 2wxj s ASP 626 N -5.32 6.99 0.24 -0.43 2.15 -1.26 -4.93 116.67 114.10 2wxj s ASP 626 Ca -0.14 1.36 -0.13 0.00 0.43 0.00 0.00 52.55 54.08 2wxj s ASP 626 Cb 0.01 -2.54 -0.00 0.00 -0.30 0.00 0.00 42.92 40.09 2wxj s ASP 626 CO 0.52 -0.78 0.47 0.00 -0.17 0.00 0.00 175.17 175.21 2wxj h GLU 628 N 2.27 0.69 -0.62 0.00 4.39 -1.97 -2.81 114.58 116.53 2wxj h GLU 628 Ca -0.26 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.08 2wxj h GLU 628 Cb 1.25 -0.00 -0.03 0.00 -0.10 0.00 0.00 28.75 29.87 2wxj h GLU 628 CO 0.36 0.94 0.32 1.25 -1.16 0.00 0.00 179.01 180.73 2wxj h LEU 629 N 0.57 0.79 -0.11 1.33 5.85 -1.97 -1.39 115.31 120.38 2wxj h LEU 629 Ca 0.05 -0.11 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 2wxj h LEU 629 Cb 0.89 -0.20 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 2wxj h LEU 629 CO 0.08 0.67 0.05 0.74 -0.34 0.00 0.00 178.44 179.64 2wxj h THR 630 N 0.84 1.12 -0.81 1.05 2.02 -1.90 1.00 112.91 116.24 2wxj h THR 630 Ca 0.22 -0.36 -0.04 0.00 0.77 0.00 0.00 66.41 66.99 2wxj h THR 630 Cb 0.07 1.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.61 2wxj h THR 630 CO -0.03 0.11 0.35 0.50 0.37 0.00 0.00 175.52 176.82 2wxj h LYS 631 N 0.04 1.19 0.29 6.66 3.64 -1.40 -0.94 116.57 126.06 2wxj h LYS 631 Ca 0.04 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.21 2wxj h LYS 631 Cb 0.13 -0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 31.75 2wxj h LYS 631 CO -0.00 0.95 -0.18 0.35 -2.27 0.00 0.00 179.45 178.30 2wxj h PHE 632 N 1.17 -0.46 -0.27 1.91 3.57 -1.03 0.82 116.94 122.65 2wxj h PHE 632 Ca 0.27 -0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.76 2wxj h PHE 632 Cb 0.18 0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.07 2wxj h PHE 632 CO 0.02 -0.28 0.15 -0.07 -2.23 0.00 0.00 178.31 175.90 2wxj h LEU 633 N -0.45 0.33 -0.12 0.59 3.38 -0.36 -1.23 115.31 117.46 2wxj h LEU 633 Ca -0.03 -0.08 0.04 0.00 0.09 0.00 0.00 57.88 57.90 2wxj h LEU 633 Cb 0.37 -0.08 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 2wxj h LEU 633 CO 0.03 0.31 -0.12 -0.07 0.09 0.00 0.00 178.44 178.69 2wxj h LEU 634 N 0.32 -0.37 -0.28 1.67 4.07 -1.17 0.19 115.31 119.75 2wxj h LEU 634 Ca 0.09 0.07 0.06 0.00 0.08 0.00 0.00 57.88 58.19 2wxj h LEU 634 Cb 0.05 0.18 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 2wxj h LEU 634 CO -0.02 -0.16 -0.10 1.23 -1.08 0.00 0.00 178.44 178.31 2wxj h GLY 635 N -0.15 0.14 1.53 0.83 0.00 -0.68 -0.00 103.07 104.74 2wxj h GLY 635 Ca 0.08 0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.44 2wxj h GLY 635 CO -0.21 -0.13 -0.30 3.21 0.00 0.00 0.00 176.54 179.11 2wxj h ARG 636 N -0.05 0.54 -0.26 4.80 2.47 -1.06 -2.07 114.38 118.75 2wxj h ARG 636 Ca 0.14 -0.23 -0.10 0.00 -1.26 0.00 0.00 59.98 58.53 2wxj h ARG 636 Cb 0.27 -0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.55 2wxj h ARG 636 CO -0.32 0.78 -0.26 0.00 0.56 0.00 0.00 179.97 180.74 2wxj h ALA 637 N 1.21 1.07 0.00 0.04 0.00 -0.81 -1.32 119.26 119.44 2wxj h ALA 637 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2wxj h ALA 637 Cb 0.76 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2wxj h ALA 637 CO 0.06 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.81 2wxj h LEU 638 N 0.44 0.00 0.00 0.00 3.38 -0.75 -3.05 115.31 115.34 2wxj h LEU 638 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2wxj h LEU 638 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 2wxj h LEU 638 CO 0.05 0.00 -0.82 0.00 0.09 0.00 0.00 178.44 177.77 2wxj n ALA 639 N -1.99 2.95 -3.61 1.53 0.00 -0.80 -4.83 120.51 113.75 2wxj n ALA 639 Ca 0.04 -0.28 -0.22 0.00 0.00 0.00 0.00 53.44 52.97 2wxj n ALA 639 Cb 0.46 -1.11 -0.17 0.00 0.00 0.00 0.00 19.45 18.63 2wxj n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxj s ASN 640 N -4.40 1.73 0.44 0.00 3.84 -0.53 -4.54 114.94 111.48 2wxj s ASN 640 Ca 0.04 -0.28 0.15 0.00 0.21 0.00 0.00 52.86 52.98 2wxj s ASN 640 Cb 0.13 -0.07 1.00 0.00 -0.55 0.00 0.00 41.25 41.75 2wxj s ASN 640 CO 0.76 -0.31 1.97 -0.09 -2.79 0.00 0.00 177.10 176.64 2wxj h ARG 641 N 8.40 0.00 -0.45 0.43 2.43 -1.26 -1.22 114.38 122.71 2wxj h ARG 641 Ca -0.14 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 58.96 2wxj h ARG 641 Cb 1.14 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 2wxj h ARG 641 CO 0.24 0.21 0.02 -0.22 -1.51 0.00 0.00 179.97 178.71 2wxj h LYS 642 N 0.00 0.78 -0.28 0.20 3.64 -1.84 -0.69 116.57 118.38 2wxj h LYS 642 Ca -0.00 -0.24 -0.01 0.00 -1.27 0.00 0.00 60.65 59.13 2wxj h LYS 642 Cb 0.39 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.12 2wxj h LYS 642 CO 0.03 0.83 0.14 0.82 -2.27 0.00 0.00 179.45 178.99 2wxj h ILE 643 N 0.62 1.15 -0.47 2.00 1.08 -1.70 -2.51 117.51 117.68 2wxj h ILE 643 Ca 0.13 -0.43 0.09 0.00 -0.39 0.00 0.00 64.86 64.27 2wxj h ILE 643 Cb 0.46 0.92 -0.09 0.00 -3.07 0.00 0.00 36.82 35.04 2wxj h ILE 643 CO 0.02 0.15 -0.11 1.23 -0.69 0.00 0.00 178.15 178.75 2wxj h GLY 644 N 0.32 0.35 0.26 5.37 0.00 -1.18 0.12 103.07 108.32 2wxj h GLY 644 Ca 0.10 0.15 0.01 0.00 0.00 0.00 0.00 47.33 47.59 2wxj h GLY 644 CO -0.01 -0.18 -0.46 0.84 0.00 0.00 0.00 176.54 176.73 2wxj h HIS 645 N 0.00 -1.30 -0.17 5.60 -0.00 -0.88 -0.70 115.15 117.71 2wxj h HIS 645 Ca 0.23 0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.50 2wxj h HIS 645 Cb 0.35 0.55 -0.01 0.00 -0.00 0.00 0.00 27.41 28.29 2wxj h HIS 645 CO -0.40 -0.56 -0.46 0.74 -0.00 0.00 0.00 177.93 177.25 2wxj h PHE 646 N -0.72 0.51 -0.32 5.26 0.04 -1.22 -2.11 116.94 118.37 2wxj h PHE 646 Ca 0.00 -0.16 0.02 0.00 2.80 0.00 0.00 57.97 60.64 2wxj h PHE 646 Cb 0.73 -0.11 -0.03 0.00 2.20 0.00 0.00 35.95 38.75 2wxj h PHE 646 CO -0.38 0.80 0.16 1.25 -0.60 0.00 0.00 178.31 179.55 2wxj h LEU 647 N 0.34 0.24 -0.08 1.54 5.85 -0.67 0.22 115.31 122.75 2wxj h LEU 647 Ca 0.02 0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.79 2wxj h LEU 647 Cb 0.94 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.90 2wxj h LEU 647 CO 0.08 0.18 -0.11 0.15 -0.34 0.00 0.00 178.44 178.40 2wxj h PHE 648 N 0.34 -0.29 -0.54 1.25 3.57 -0.88 -2.07 116.94 118.32 2wxj h PHE 648 Ca 0.13 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.54 2wxj h PHE 648 Cb 0.04 0.14 -0.02 0.00 2.79 0.00 0.00 35.95 38.90 2wxj h PHE 648 CO -0.10 -0.17 -0.09 -1.49 -2.23 0.00 0.00 178.31 174.24 2wxj h TRP 649 N -0.15 1.11 -0.81 0.41 4.06 -0.93 0.40 115.95 120.03 2wxj h TRP 649 Ca 0.07 -0.22 0.05 0.00 2.06 0.00 0.00 58.89 60.86 2wxj h TRP 649 Cb 0.25 -0.28 -0.06 0.00 -1.00 0.00 0.00 29.16 28.08 2wxj h TRP 649 CO -0.22 1.02 0.50 0.45 -3.56 0.00 0.00 178.44 176.63 2wxj h HIS 650 N 0.89 0.93 -0.06 0.49 3.86 -0.40 -1.49 115.15 119.37 2wxj h HIS 650 Ca 0.14 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.32 2wxj h HIS 650 Cb 0.64 -0.30 0.00 0.00 1.06 0.00 0.00 27.41 28.81 2wxj h HIS 650 CO 0.04 0.49 -0.18 -0.07 0.86 0.00 0.00 177.93 179.07 2wxj h LEU 651 N 0.94 0.27 -1.01 2.43 3.38 -0.82 -3.30 115.31 117.20 2wxj h LEU 651 Ca 0.34 -0.60 0.11 0.00 0.09 0.00 0.00 57.88 57.82 2wxj h LEU 651 Cb 0.11 -0.08 -0.08 0.00 0.09 0.00 0.00 40.66 40.70 2wxj h LEU 651 CO -0.15 0.83 0.64 -0.09 0.09 0.00 0.00 178.44 179.75 2wxj h ARG 652 N -0.27 1.01 0.00 1.13 9.65 -0.08 -1.85 114.38 123.97 2wxj h ARG 652 Ca -0.00 -0.06 0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2wxj h ARG 652 Cb 0.80 -0.23 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2wxj h ARG 652 CO 0.04 0.67 0.00 -1.13 2.80 0.00 0.00 179.97 182.34 2wxj n SER 653 N -4.59 0.32 -0.58 -3.80 3.41 -0.58 -2.58 113.62 105.23 2wxj n SER 653 Ca 0.18 0.62 0.09 0.00 -0.26 0.00 0.00 58.87 59.50 2wxj n SER 653 Cb 0.32 -0.67 0.21 0.00 -0.26 0.00 0.00 64.21 63.80 2wxj n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxj n GLU 654 N -1.90 2.37 0.00 4.33 1.02 -0.69 -4.22 120.64 121.54 2wxj n GLU 654 Ca 0.00 -2.68 0.12 0.00 -0.02 0.00 0.00 57.16 54.58 2wxj n GLU 654 Cb 0.08 -1.68 0.59 0.00 -0.02 0.00 0.00 31.44 30.41 2wxj n GLU 654 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 2wxj n MET 655 N -0.78 0.21 -0.02 3.49 2.81 -1.06 -1.84 117.12 119.92 2wxj n MET 655 Ca 0.18 0.06 0.12 0.00 -1.81 0.00 0.00 57.70 56.26 2wxj n MET 655 Cb 0.77 -1.50 0.18 0.00 -0.71 0.00 0.00 33.22 31.96 2wxj n MET 655 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 2wxj n HIS 656 N -1.38 0.06 -3.15 2.03 1.44 -1.26 -4.71 115.22 108.25 2wxj n HIS 656 Ca 0.09 -0.03 -0.44 0.00 -2.01 0.00 0.00 57.72 55.33 2wxj n HIS 656 Cb 0.24 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.29 2wxj n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxj s VAL 657 N -1.94 4.87 0.60 0.61 1.01 -0.77 -4.97 120.40 119.82 2wxj s VAL 657 Ca 0.31 -0.57 0.30 0.00 0.00 0.00 0.00 61.98 62.01 2wxj s VAL 657 Cb 0.20 -4.32 0.36 0.00 0.00 0.00 0.00 36.38 32.63 2wxj s VAL 657 CO 0.31 -0.84 2.07 -0.65 0.00 0.00 0.00 175.10 175.98 2wxj h PRO 658 N 9.02 0.00 0.00 2.72 0.11 -1.87 -1.49 132.00 140.49 2wxj h PRO 658 Ca -0.28 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.75 2wxj h PRO 658 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2wxj h PRO 658 CO 0.98 0.00 -0.37 0.66 -0.21 0.00 0.00 178.00 179.06 2wxj h SER 659 N 0.00 0.00 0.00 -2.05 4.64 -1.94 -3.29 113.55 110.91 2wxj h SER 659 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 2wxj h SER 659 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 2wxj h SER 659 CO -0.00 0.37 -0.38 1.33 -0.87 0.00 0.00 176.83 177.28 2wxj n VAL 660 N -3.44 0.00 -0.25 0.95 0.24 -0.66 -4.79 118.33 110.37 2wxj n VAL 660 Ca 0.00 -0.32 0.06 0.00 -2.04 0.00 0.00 64.34 62.04 2wxj n VAL 660 Cb 0.54 0.98 0.18 0.00 -1.47 0.00 0.00 33.84 34.07 2wxj n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxj h ALA 661 N 1.04 0.94 0.24 2.33 0.00 -1.38 -0.21 119.26 122.21 2wxj h ALA 661 Ca 0.00 0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 2wxj h ALA 661 Cb 0.18 0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.25 2wxj h ALA 661 CO 0.00 -0.37 -0.11 1.25 0.00 0.00 0.00 179.25 180.02 2wxj h LEU 662 N 0.23 -0.27 -0.19 0.00 5.85 -1.87 -0.88 115.31 118.18 2wxj h LEU 662 Ca 0.42 -0.26 0.04 0.00 0.84 0.00 0.00 57.88 58.93 2wxj h LEU 662 Cb 0.74 0.07 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2wxj h LEU 662 CO -0.55 0.19 -0.49 -0.09 -0.34 0.00 0.00 178.44 177.15 2wxj h ARG 663 N -0.80 -0.49 -0.72 1.25 2.43 -1.83 -1.09 114.38 113.13 2wxj h ARG 663 Ca -0.03 0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 2wxj h ARG 663 Cb 0.51 0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 30.14 2wxj h ARG 663 CO 0.05 -0.33 0.30 0.74 -1.51 0.00 0.00 179.97 179.22 2wxj h PHE 664 N -0.51 1.06 -0.49 2.20 -1.00 -1.12 -2.41 116.94 114.67 2wxj h PHE 664 Ca 0.06 -0.07 0.06 0.00 2.81 0.00 0.00 57.97 60.83 2wxj h PHE 664 Cb 0.65 -0.32 -0.05 0.00 3.61 0.00 0.00 35.95 39.83 2wxj h PHE 664 CO -0.57 0.80 0.20 0.78 -1.61 0.00 0.00 178.31 177.91 2wxj h GLY 665 N 1.09 0.66 1.13 -1.45 0.00 -0.80 -2.60 103.07 101.11 2wxj h GLY 665 Ca 0.24 -0.12 -0.08 0.00 0.00 0.00 0.00 47.33 47.37 2wxj h GLY 665 CO -0.02 0.04 0.10 1.41 0.00 0.00 0.00 176.54 178.07 2wxj h LEU 666 N 0.39 1.01 -0.51 3.11 3.38 -0.74 -2.11 115.31 119.84 2wxj h LEU 666 Ca 0.23 -0.24 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 2wxj h LEU 666 Cb 0.21 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 2wxj h LEU 666 CO -0.21 1.01 0.14 0.40 0.09 0.00 0.00 178.44 179.87 2wxj h ILE 667 N 0.99 1.24 -0.60 1.22 2.04 -1.23 -1.71 117.51 119.45 2wxj h ILE 667 Ca 0.20 -0.82 -0.06 0.00 1.00 0.00 0.00 64.86 65.18 2wxj h ILE 667 Cb 0.44 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.28 2wxj h ILE 667 CO 0.01 0.30 0.13 0.24 0.00 0.00 0.00 178.15 178.83 2wxj h MET 668 N 0.71 0.97 -0.08 2.37 2.86 -1.33 0.55 114.93 120.98 2wxj h MET 668 Ca 0.16 -0.24 0.04 0.00 -2.06 0.00 0.00 59.70 57.60 2wxj h MET 668 Cb 0.31 -0.12 -0.06 0.00 0.06 0.00 0.00 31.60 31.78 2wxj h MET 668 CO -0.00 0.90 -0.36 1.49 1.06 0.00 0.00 176.91 180.00 2wxj h GLU 669 N 0.88 -0.45 -0.64 1.72 4.81 -1.18 -0.34 114.58 119.39 2wxj h GLU 669 Ca 0.19 0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.51 2wxj h GLU 669 Cb 0.38 0.10 -0.06 0.00 0.63 0.00 0.00 28.75 29.81 2wxj h GLU 669 CO 0.01 -0.30 0.34 0.00 -0.73 0.00 0.00 179.01 178.33 2wxj h ALA 670 N 0.24 0.85 -0.34 2.92 0.00 -0.96 -1.92 119.26 120.05 2wxj h ALA 670 Ca 0.08 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.08 2wxj h ALA 670 Cb 0.59 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 2wxj h ALA 670 CO -0.34 -0.00 -0.04 -0.92 0.00 0.00 0.00 179.25 177.94 2wxj h TYR 671 N 0.62 -0.10 -0.65 0.00 3.20 -0.37 -2.19 116.97 117.48 2wxj h TYR 671 Ca 0.29 0.03 0.05 0.00 3.14 0.00 0.00 58.73 62.24 2wxj h TYR 671 Cb 0.21 0.10 -0.05 0.00 1.54 0.00 0.00 36.73 38.52 2wxj h TYR 671 CO -0.09 -0.11 0.38 0.00 -1.64 0.00 0.00 178.16 176.70 2wxj h ARG 673 N 0.71 0.42 0.00 0.00 2.47 -0.76 0.77 114.38 117.99 2wxj h ARG 673 Ca 0.28 -0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.98 2wxj h ARG 673 Cb 0.13 -0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.35 2wxj h ARG 673 CO -0.15 0.28 -0.01 0.78 0.56 0.00 0.00 179.97 181.42 2wxj h GLY 674 N 0.43 0.00 -5.89 0.04 0.00 -0.84 -3.42 103.07 93.40 2wxj h GLY 674 Ca 0.22 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 47.20 2wxj h GLY 674 CO -0.06 0.00 -0.70 -0.45 0.00 0.00 0.00 176.54 175.33 2wxj s SER 675 N -5.06 0.21 0.20 0.19 0.15 0.24 -4.34 113.70 105.29 2wxj s SER 675 Ca 0.09 -2.07 -0.11 0.00 0.70 0.00 0.00 55.95 54.56 2wxj s SER 675 Cb 0.10 0.77 0.23 0.00 -1.71 0.00 0.00 66.02 65.40 2wxj s SER 675 CO 0.62 -0.16 1.75 0.74 1.20 0.00 0.00 173.24 177.39 2wxj h THR 676 N 4.88 0.80 -0.25 6.45 2.02 -1.75 -1.27 112.91 123.80 2wxj h THR 676 Ca 0.13 -0.13 -0.02 0.00 0.77 0.00 0.00 66.41 67.16 2wxj h THR 676 Cb 1.03 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2wxj h THR 676 CO 0.19 0.07 0.08 -0.74 0.37 0.00 0.00 175.52 175.49 2wxj h HIS 677 N 0.38 0.39 -0.15 3.16 -0.00 -1.86 -2.73 115.15 114.34 2wxj h HIS 677 Ca 0.27 -0.04 -0.08 0.00 -0.00 0.00 0.00 60.37 60.53 2wxj h HIS 677 Cb 0.32 -0.11 -0.01 0.00 -0.00 0.00 0.00 27.41 27.60 2wxj h HIS 677 CO -0.17 0.43 -0.27 1.25 -0.00 0.00 0.00 177.93 179.18 2wxj h HIS 678 N 0.24 0.31 -0.51 5.26 -0.00 -1.84 -1.96 115.15 116.65 2wxj h HIS 678 Ca 0.08 -0.06 0.10 0.00 -0.00 0.00 0.00 60.37 60.49 2wxj h HIS 678 Cb 0.22 -0.08 -0.10 0.00 -0.00 0.00 0.00 27.41 27.46 2wxj h HIS 678 CO 0.00 0.53 -0.16 1.98 -0.00 0.00 0.00 177.93 180.28 2wxj h MET 679 N 0.25 -0.03 -0.50 5.26 -1.53 -1.03 -0.35 114.93 116.99 2wxj h MET 679 Ca 0.04 0.00 -0.07 0.00 -3.44 0.00 0.00 59.70 56.23 2wxj h MET 679 Cb 0.61 0.01 -0.02 0.00 -0.55 0.00 0.00 31.60 31.65 2wxj h MET 679 CO 0.04 -0.02 0.02 0.87 0.14 0.00 0.00 176.91 177.96 2wxj h LYS 680 N -0.04 0.87 -0.82 0.39 1.57 -1.09 -0.86 116.57 116.59 2wxj h LYS 680 Ca 0.24 -0.27 0.11 0.00 -1.87 0.00 0.00 60.65 58.87 2wxj h LYS 680 Cb 0.41 -0.09 -0.08 0.00 0.08 0.00 0.00 32.23 32.55 2wxj h LYS 680 CO -0.54 0.89 0.45 0.28 -0.57 0.00 0.00 179.45 179.96 2wxj h VAL 681 N 0.74 0.85 -0.02 0.50 2.07 -1.04 -1.48 116.25 117.88 2wxj h VAL 681 Ca 0.15 -0.25 -0.15 0.00 0.82 0.00 0.00 66.70 67.27 2wxj h VAL 681 Cb 0.48 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.30 2wxj h VAL 681 CO 0.02 0.13 -0.68 -0.07 0.02 0.00 0.00 177.57 177.00 2wxj h LEU 682 N 0.73 0.10 -0.76 2.57 3.38 -0.74 -2.91 115.31 117.68 2wxj h LEU 682 Ca 0.41 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.31 2wxj h LEU 682 Cb 0.44 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 2wxj h LEU 682 CO -0.28 0.75 0.45 0.24 0.09 0.00 0.00 178.44 179.69 2wxj h MET 683 N 0.06 1.03 -0.71 1.13 2.86 -0.70 0.12 114.93 118.72 2wxj h MET 683 Ca -0.01 -0.10 0.08 0.00 -2.06 0.00 0.00 59.70 57.61 2wxj h MET 683 Cb 1.20 -0.21 -0.07 0.00 0.06 0.00 0.00 31.60 32.58 2wxj h MET 683 CO 0.09 0.74 0.38 -0.22 1.06 0.00 0.00 176.91 178.96 2wxj h LYS 684 N 1.04 0.65 -0.39 1.72 3.11 -1.09 -0.21 116.57 121.40 2wxj h LYS 684 Ca 0.27 -0.04 -0.04 0.00 -2.81 0.00 0.00 60.65 58.04 2wxj h LYS 684 Cb -0.03 -0.15 -0.02 0.00 -1.00 0.00 0.00 32.23 31.04 2wxj h LYS 684 CO -0.05 0.43 0.10 1.96 -2.81 0.00 0.00 179.45 179.08 2wxj h GLN 685 N 0.67 0.62 -0.81 1.90 4.20 -1.25 -2.48 115.11 117.97 2wxj h GLN 685 Ca 0.34 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.86 2wxj h GLN 685 Cb 0.29 -0.08 -0.04 0.00 0.30 0.00 0.00 27.48 27.95 2wxj h GLN 685 CO -0.23 0.64 0.35 0.78 -0.67 0.00 0.00 178.83 179.71 2wxj h GLY 686 N 0.49 1.27 1.38 3.46 0.00 -0.26 -1.35 103.07 108.06 2wxj h GLY 686 Ca 0.12 -0.66 -0.06 0.00 0.00 0.00 0.00 47.33 46.73 2wxj h GLY 686 CO -0.00 0.62 0.04 0.83 0.00 0.00 0.00 176.54 178.03 2wxj h GLU 687 N 1.16 0.76 -0.54 4.80 5.08 -0.98 0.34 114.58 125.21 2wxj h GLU 687 Ca 0.27 -0.19 -0.10 0.00 -1.00 0.00 0.00 59.36 58.34 2wxj h GLU 687 Cb 0.17 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2wxj h GLU 687 CO -0.03 0.75 -0.07 0.00 -1.00 0.00 0.00 179.01 178.66 2wxj h ALA 688 N 1.32 0.74 -0.30 3.43 0.00 -0.95 -2.06 119.26 121.43 2wxj h ALA 688 Ca 0.15 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.60 2wxj h ALA 688 Cb 0.39 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 2wxj h ALA 688 CO 0.01 0.62 -0.33 -0.07 0.00 0.00 0.00 179.25 179.48 2wxj h LEU 689 N 0.88 0.69 -0.48 0.00 3.38 -0.99 -1.77 115.31 117.02 2wxj h LEU 689 Ca 0.14 -0.28 -0.02 0.00 0.09 0.00 0.00 57.88 57.81 2wxj h LEU 689 Cb 0.63 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 2wxj h LEU 689 CO 0.04 0.97 0.24 -1.28 0.09 0.00 0.00 178.44 178.50 2wxj h SER 690 N 0.56 0.62 -0.64 -0.43 0.87 -0.76 -1.88 113.55 111.89 2wxj h SER 690 Ca 0.06 -0.12 -0.08 0.00 -1.23 0.00 0.00 61.79 60.42 2wxj h SER 690 Cb 0.84 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.62 2wxj h SER 690 CO 0.07 0.56 0.08 0.11 -0.53 0.00 0.00 176.83 177.13 2wxj h LYS 691 N 0.63 1.08 -1.01 2.24 1.79 -1.19 -2.60 116.57 117.51 2wxj h LYS 691 Ca 0.16 -0.30 0.02 0.00 -2.18 0.00 0.00 60.65 58.35 2wxj h LYS 691 Cb 0.11 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.58 2wxj h LYS 691 CO -0.02 1.01 0.67 -0.07 -1.08 0.00 0.00 179.45 179.95 2wxj h LEU 692 N 0.99 1.15 -0.96 2.94 3.38 -1.25 0.24 115.31 121.79 2wxj h LEU 692 Ca 0.19 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 58.15 2wxj h LEU 692 Cb 0.47 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 2wxj h LEU 692 CO 0.02 0.82 0.64 0.50 0.09 0.00 0.00 178.44 180.50 2wxj h LYS 693 N 1.35 1.25 -0.27 1.13 1.63 -1.14 0.26 116.57 120.78 2wxj h LYS 693 Ca 0.38 -0.08 -0.18 0.00 -0.85 0.00 0.00 60.65 59.92 2wxj h LYS 693 Cb -0.12 -0.28 -0.00 0.00 -0.60 0.00 0.00 32.23 31.22 2wxj h LYS 693 CO -0.09 0.83 -0.54 0.00 -3.45 0.00 0.00 179.45 176.20 2wxj h ALA 694 N 1.36 0.54 -0.45 5.00 0.00 -0.97 -2.29 119.26 122.45 2wxj h ALA 694 Ca 0.36 -0.51 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 2wxj h ALA 694 Cb -0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2wxj h ALA 694 CO -0.08 0.68 -0.25 1.25 0.00 0.00 0.00 179.25 180.85 2wxj h LEU 695 N 0.61 0.99 -1.01 0.00 5.85 -0.11 -2.39 115.31 119.24 2wxj h LEU 695 Ca 0.02 -0.39 -0.10 0.00 0.84 0.00 0.00 57.88 58.25 2wxj h LEU 695 Cb 1.13 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2wxj h LEU 695 CO 0.12 1.18 -0.34 -1.13 -0.34 0.00 0.00 178.44 177.92 2wxj h ASN 696 N 0.81 0.29 -0.42 1.25 -0.73 -0.49 -2.18 115.58 114.11 2wxj h ASN 696 Ca 0.10 -0.11 -0.07 0.00 1.87 0.00 0.00 56.30 58.09 2wxj h ASN 696 Cb 0.83 -0.08 -0.01 0.00 0.27 0.00 0.00 38.32 39.32 2wxj h ASN 696 CO 0.07 0.62 -0.00 0.44 -0.37 0.00 0.00 177.43 178.18 2wxj h ASP 697 N 0.24 0.73 -0.59 1.15 3.32 -1.17 -1.57 116.42 118.53 2wxj h ASP 697 Ca 0.03 -0.31 0.02 0.00 0.02 0.00 0.00 57.03 56.79 2wxj h ASP 697 Cb 0.72 -0.20 -0.03 0.00 0.22 0.00 0.00 39.33 40.04 2wxj h ASP 697 CO 0.06 0.86 0.37 0.15 -1.72 0.00 0.00 179.24 178.96 2wxj h PHE 698 N 0.58 0.70 -0.64 4.55 3.57 -1.30 -1.77 116.94 122.63 2wxj h PHE 698 Ca 0.12 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.60 2wxj h PHE 698 Cb 0.49 -0.23 -0.03 0.00 2.79 0.00 0.00 35.95 38.97 2wxj h PHE 698 CO 0.04 0.42 0.24 0.28 -2.23 0.00 0.00 178.31 177.06 2wxj h VAL 699 N 0.75 1.24 -0.83 1.41 2.07 -1.25 0.27 116.25 119.90 2wxj h VAL 699 Ca 0.23 -0.77 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 2wxj h VAL 699 Cb -0.02 0.54 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 2wxj h VAL 699 CO -0.08 0.30 0.46 0.11 0.02 0.00 0.00 177.57 178.38 2wxj h LYS 700 N 0.91 1.15 0.39 1.57 1.57 -1.07 -0.57 116.57 120.52 2wxj h LYS 700 Ca 0.21 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.84 2wxj h LYS 700 Cb 0.23 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.32 2wxj h LYS 700 CO -0.01 0.84 -0.19 0.28 -0.57 0.00 0.00 179.45 179.80 2wxj h VAL 701 N 1.16 0.06 -0.76 0.50 2.07 -0.82 -3.33 116.25 115.13 2wxj h VAL 701 Ca 0.29 -0.64 0.15 0.00 0.82 0.00 0.00 66.70 67.32 2wxj h VAL 701 Cb 0.02 0.10 -0.10 0.00 -1.52 0.00 0.00 31.29 29.80 2wxj h VAL 701 CO -0.05 0.02 0.28 -1.28 0.02 0.00 0.00 177.57 176.56 2wxj h SER 702 N -1.12 0.22 0.65 0.57 0.87 -0.49 -2.60 113.55 111.64 2wxj h SER 702 Ca -0.05 0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 2wxj h SER 702 Cb 0.42 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 62.50 2wxj h SER 702 CO 0.09 0.06 0.00 -1.54 -0.53 0.00 0.00 176.83 174.91 2wxj n SER 703 N -5.04 0.39 0.01 6.23 3.41 -0.22 -1.79 113.62 116.60 2wxj n SER 703 Ca 0.15 0.59 0.12 0.00 -0.26 0.00 0.00 58.87 59.48 2wxj n SER 703 Cb 0.44 -0.68 0.33 0.00 -0.26 0.00 0.00 64.21 64.05 2wxj n SER 703 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxj n GLN 704 N -1.92 0.04 0.00 4.33 6.02 -0.98 -4.16 117.38 120.71 2wxj n GLN 704 Ca 0.03 0.01 0.00 0.00 -0.01 0.00 0.00 57.00 57.03 2wxj n GLN 704 Cb 0.21 -1.53 0.00 0.00 1.02 0.00 0.00 30.24 29.94 2wxj n GLN 704 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2wxj n LYS 705 N -1.59 1.53 -3.77 -1.09 5.02 -0.74 -5.07 118.16 112.45 2wxj n LYS 705 Ca 0.06 -1.01 -0.06 0.00 -2.02 0.00 0.00 58.31 55.28 2wxj n LYS 705 Cb 0.35 -0.77 -0.02 0.00 -0.02 0.00 0.00 35.03 34.57 2wxj n LYS 705 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wxj s THR 706 N -0.52 0.00 0.45 -0.18 -1.32 -1.02 -5.10 115.64 107.95 2wxj s THR 706 Ca 0.00 -0.74 -0.07 0.00 -1.21 0.00 0.00 61.69 59.67 2wxj s THR 706 Cb 0.00 -1.90 -0.04 0.00 -1.51 0.00 0.00 72.50 69.04 2wxj s THR 706 CO 0.00 0.00 0.77 0.42 -2.21 0.00 0.00 174.62 173.60 2wxj s THR 707 N -3.57 4.88 0.16 5.08 -4.23 -1.26 -4.64 115.64 112.06 2wxj s THR 707 Ca 0.11 0.32 -0.19 0.00 -1.18 0.00 0.00 61.69 60.74 2wxj s THR 707 Cb -0.03 -3.82 0.08 0.00 1.34 0.00 0.00 72.50 70.06 2wxj s THR 707 CO 0.03 -0.74 1.64 0.50 -0.54 0.00 0.00 174.62 175.51 2wxj h LYS 708 N 0.57 -0.11 -0.74 3.99 3.64 -1.97 0.40 116.57 122.34 2wxj h LYS 708 Ca -0.47 0.01 0.15 0.00 -1.27 0.00 0.00 60.65 59.07 2wxj h LYS 708 Cb 1.20 0.03 -0.10 0.00 -0.41 0.00 0.00 32.23 32.94 2wxj h LYS 708 CO 0.62 -0.07 0.26 -1.35 -2.27 0.00 0.00 179.45 176.64 2wxj h PRO 709 N -0.12 0.36 -0.58 1.90 0.11 -2.00 -1.21 132.00 130.46 2wxj h PRO 709 Ca 0.18 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 2wxj h PRO 709 Cb 0.39 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.39 2wxj h PRO 709 CO -0.43 0.24 0.34 1.96 -0.21 0.00 0.00 178.00 179.90 2wxj h GLN 710 N 0.37 0.80 -0.40 1.05 4.20 -1.32 -2.33 115.11 117.48 2wxj h GLN 710 Ca 0.41 -0.08 -0.12 0.00 0.06 0.00 0.00 58.65 58.93 2wxj h GLN 710 Cb 0.66 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.27 2wxj h GLN 710 CO -0.44 0.59 -0.22 1.15 -0.67 0.00 0.00 178.83 179.24 2wxj h THR 711 N 0.79 1.27 0.08 -0.54 2.02 -0.99 -2.53 112.91 113.01 2wxj h THR 711 Ca 0.21 -1.33 0.01 0.00 0.77 0.00 0.00 66.41 66.07 2wxj h THR 711 Cb 0.01 1.19 -0.02 0.00 -1.74 0.00 0.00 68.15 67.59 2wxj h THR 711 CO -0.04 0.45 -0.15 0.50 0.37 0.00 0.00 175.52 176.65 2wxj h LYS 712 N 0.69 -0.28 -0.17 6.66 3.64 -0.96 0.27 116.57 126.42 2wxj h LYS 712 Ca 0.10 0.02 -0.01 0.00 -1.27 0.00 0.00 60.65 59.48 2wxj h LYS 712 Cb 0.73 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.60 2wxj h LYS 712 CO 0.06 -0.18 0.05 1.49 -2.27 0.00 0.00 179.45 178.59 2wxj h GLU 713 N -0.29 0.24 -0.21 1.90 4.81 -1.39 -1.83 114.58 117.81 2wxj h GLU 713 Ca 0.03 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2wxj h GLU 713 Cb 0.31 -0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.63 2wxj h GLU 713 CO -0.09 0.22 -0.15 0.52 -0.73 0.00 0.00 179.01 178.78 2wxj h MET 714 N 0.24 0.48 -0.59 1.92 2.86 -0.82 -2.07 114.93 116.96 2wxj h MET 714 Ca 0.06 -0.23 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 2wxj h MET 714 Cb 0.09 -0.00 -0.08 0.00 0.06 0.00 0.00 31.60 31.67 2wxj h MET 714 CO -0.00 0.79 0.16 1.98 1.06 0.00 0.00 176.91 180.89 2wxj h MET 715 N 0.17 0.30 -0.62 1.72 1.85 -0.02 0.35 114.93 118.68 2wxj h MET 715 Ca 0.04 -0.02 0.02 0.00 -0.61 0.00 0.00 59.70 59.13 2wxj h MET 715 Cb 0.67 -0.07 -0.04 0.00 0.43 0.00 0.00 31.60 32.60 2wxj h MET 715 CO 0.04 0.20 0.39 0.45 -0.40 0.00 0.00 176.91 177.59 2wxj h HIS 716 N 0.31 0.74 -0.76 1.39 -0.00 -1.27 0.57 115.15 116.11 2wxj h HIS 716 Ca 0.30 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.65 2wxj h HIS 716 Cb 0.42 -0.24 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 2wxj h HIS 716 CO -0.22 0.44 0.32 0.52 -0.00 0.00 0.00 177.93 179.00 2wxj h MET 717 N 0.78 1.12 -0.53 2.45 2.86 -0.61 0.01 114.93 121.02 2wxj h MET 717 Ca 0.24 -0.19 -0.11 0.00 -2.06 0.00 0.00 59.70 57.59 2wxj h MET 717 Cb -0.03 -0.19 -0.02 0.00 0.06 0.00 0.00 31.60 31.42 2wxj h MET 717 CO -0.08 0.90 -0.09 0.00 1.06 0.00 0.00 176.91 178.70 2wxj h MET 719 N 0.87 0.13 0.00 0.00 2.86 -0.61 -3.10 114.93 115.08 2wxj h MET 719 Ca 0.14 -0.09 0.00 0.00 -2.06 0.00 0.00 59.70 57.69 2wxj h MET 719 Cb 0.64 0.01 0.00 0.00 0.06 0.00 0.00 31.60 32.31 2wxj h MET 719 CO 0.04 0.67 0.00 0.54 1.06 0.00 0.00 176.91 179.22 2wxj n ARG 720 N -3.88 0.44 -1.94 1.72 1.74 -0.03 -2.98 116.66 111.72 2wxj n ARG 720 Ca -0.02 0.05 -0.41 0.00 -0.77 0.00 0.00 57.85 56.70 2wxj n ARG 720 Cb 0.58 -1.50 -0.01 0.00 -1.02 0.00 0.00 32.46 30.51 2wxj n ARG 720 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 2wxj s GLN 721 N -2.45 4.22 0.22 5.56 -0.21 -1.17 -4.82 119.66 121.02 2wxj s GLN 721 Ca 0.26 2.40 -0.13 0.00 0.02 0.00 0.00 55.36 57.92 2wxj s GLN 721 Cb 0.16 -3.03 0.28 0.00 1.00 0.00 0.00 33.01 31.41 2wxj s GLN 721 CO 0.35 -0.41 1.62 0.93 -2.12 0.00 0.00 175.29 175.66 2wxj h GLU 722 N 3.71 0.00 -0.93 2.91 5.08 -1.91 -0.18 114.58 123.26 2wxj h GLU 722 Ca -0.49 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 57.95 2wxj h GLU 722 Cb 1.23 -0.00 -0.07 0.00 0.50 0.00 0.00 28.75 30.41 2wxj h GLU 722 CO 0.69 0.00 0.60 1.79 -1.00 0.00 0.00 179.01 181.09 2wxj h THR 723 N 0.00 1.02 0.00 1.13 1.35 -1.93 -2.19 112.91 112.29 2wxj h THR 723 Ca 0.33 -0.34 -0.02 0.00 -0.55 0.00 0.00 66.41 65.83 2wxj h THR 723 Cb 0.51 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.86 2wxj h THR 723 CO -0.71 0.18 -0.07 1.88 -0.25 0.00 0.00 175.52 176.55 2wxj h TYR 724 N 1.00 0.07 -0.81 4.73 -1.99 -1.32 -2.06 116.97 116.58 2wxj h TYR 724 Ca 0.42 -0.04 0.12 0.00 2.00 0.00 0.00 58.73 61.24 2wxj h TYR 724 Cb 0.30 -0.01 -0.06 0.00 2.00 0.00 0.00 36.73 38.97 2wxj h TYR 724 CO -0.00 0.84 0.53 0.52 -0.00 0.00 0.00 178.16 180.05 2wxj h MET 725 N -0.73 0.63 0.10 4.88 2.86 -1.14 0.23 114.93 121.76 2wxj h MET 725 Ca -0.01 -0.04 -0.16 0.00 -2.06 0.00 0.00 59.70 57.43 2wxj h MET 725 Cb 0.86 -0.14 0.02 0.00 0.06 0.00 0.00 31.60 32.40 2wxj h MET 725 CO 0.01 0.42 -0.69 1.49 1.06 0.00 0.00 176.91 179.20 2wxj h GLU 726 N 0.65 0.29 -0.32 1.72 4.81 -1.50 -3.03 114.58 117.21 2wxj h GLU 726 Ca 0.39 -0.45 -0.07 0.00 -0.13 0.00 0.00 59.36 59.11 2wxj h GLU 726 Cb 0.62 0.16 -0.02 0.00 0.63 0.00 0.00 28.75 30.14 2wxj h GLU 726 CO -0.16 1.19 -0.10 0.00 -0.73 0.00 0.00 179.01 179.22 2wxj h ALA 727 N 0.12 1.25 -0.01 2.92 0.00 -0.60 -3.03 119.26 119.91 2wxj h ALA 727 Ca -0.12 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wxj h ALA 727 Cb 1.51 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.16 2wxj h ALA 727 CO 0.13 0.49 -0.03 1.28 0.00 0.00 0.00 179.25 181.12 2wxj n LEU 728 N -4.21 0.83 -4.43 0.00 4.77 0.74 -4.05 117.00 110.64 2wxj n LEU 728 Ca 0.01 -0.25 -0.30 0.00 -0.03 0.00 0.00 56.01 55.45 2wxj n LEU 728 Cb 0.31 -0.04 -0.13 0.00 -2.33 0.00 0.00 43.42 41.24 2wxj n LEU 728 CO 0.40 0.14 -0.52 -0.44 -1.33 0.00 0.00 177.39 175.64 2wxj s SER 729 N -2.10 3.61 -0.62 -1.43 0.01 -1.14 -4.66 113.70 107.36 2wxj s SER 729 Ca 0.39 -0.59 -0.04 0.00 1.31 0.00 0.00 55.95 57.02 2wxj s SER 729 Cb 0.21 -0.43 -0.04 0.00 0.21 0.00 0.00 66.02 65.97 2wxj s SER 729 CO 0.38 0.21 0.54 1.41 0.41 0.00 0.00 173.24 176.19 2wxj n HIS 730 N 1.11 -1.46 -4.23 2.43 8.25 0.05 -4.93 115.22 116.44 2wxj n HIS 730 Ca -0.17 0.51 -0.13 0.00 -0.26 0.00 0.00 57.72 57.67 2wxj n HIS 730 Cb 0.53 -3.46 -0.10 0.00 1.12 0.00 0.00 29.99 28.07 2wxj n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxj s LEU 731 N -4.41 2.11 0.33 2.41 2.34 -0.47 -4.98 118.68 116.02 2wxj s LEU 731 Ca 0.27 -1.17 -0.26 0.00 0.06 0.00 0.00 54.13 53.03 2wxj s LEU 731 Cb -0.04 -0.04 -0.10 0.00 -0.56 0.00 0.00 46.19 45.46 2wxj s LEU 731 CO 0.44 -0.57 0.98 -1.10 -1.06 0.00 0.00 176.35 175.03 2wxj s GLN 732 N -3.92 4.51 0.01 1.48 -0.21 -1.26 0.12 119.66 120.38 2wxj s GLN 732 Ca 0.24 1.41 -0.30 0.00 0.02 0.00 0.00 55.36 56.73 2wxj s GLN 732 Cb 0.06 -2.79 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 2wxj s GLN 732 CO 0.04 0.19 1.31 0.45 -2.12 0.00 0.00 175.29 175.15 2wxj s SER 733 N -1.53 6.94 0.50 5.90 0.15 -0.15 -4.84 113.70 120.68 2wxj s SER 733 Ca 0.51 2.03 0.17 0.00 0.70 0.00 0.00 55.95 59.36 2wxj s SER 733 Cb -0.21 -2.57 1.22 0.00 -1.71 0.00 0.00 66.02 62.76 2wxj s SER 733 CO 0.26 -0.63 2.09 -0.65 1.20 0.00 0.00 173.24 175.51 2wxj h PRO 734 N 7.45 0.11 -0.29 5.44 0.11 -1.95 -1.76 132.00 141.11 2wxj h PRO 734 Ca -0.38 -0.01 -0.06 0.00 0.11 0.00 0.00 66.00 65.67 2wxj h PRO 734 Cb 1.18 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 2wxj h PRO 734 CO 0.88 0.07 -0.06 -0.07 -0.21 0.00 0.00 178.00 178.60 2wxj h LEU 735 N 0.11 0.44 -6.38 2.35 3.38 -1.95 -3.43 115.31 109.84 2wxj h LEU 735 Ca 0.10 -0.09 0.05 0.00 0.09 0.00 0.00 57.88 58.02 2wxj h LEU 735 Cb 0.26 -0.12 -0.22 0.00 0.09 0.00 0.00 40.66 40.67 2wxj h LEU 735 CO -0.01 0.56 -0.26 -0.62 0.09 0.00 0.00 178.44 178.19 2wxj s ASP 736 N -6.77 -1.07 0.42 -0.43 2.15 -0.67 -4.90 116.67 105.40 2wxj s ASP 736 Ca -0.07 0.99 0.29 0.00 0.43 0.00 0.00 52.55 54.19 2wxj s ASP 736 Cb 0.15 2.03 1.48 0.00 -0.30 0.00 0.00 42.92 46.29 2wxj s ASP 736 CO 0.76 -0.25 1.88 1.55 -0.17 0.00 0.00 175.17 178.94 2wxj h PRO 737 N 8.03 0.00 -0.00 4.34 0.13 -1.80 -1.45 132.00 141.25 2wxj h PRO 737 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 2wxj h PRO 737 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 2wxj h PRO 737 CO 0.21 0.00 -0.32 -1.13 -0.23 0.00 0.00 178.00 176.53 2wxj n SER 738 N -2.54 0.36 -4.62 1.44 3.41 -1.26 -4.62 113.62 105.79 2wxj n SER 738 Ca -0.01 -0.05 -0.40 0.00 -0.26 0.00 0.00 58.87 58.14 2wxj n SER 738 Cb 0.10 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 63.99 2wxj n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxj s THR 739 N -2.96 5.00 -0.17 6.66 2.01 -0.55 -1.32 115.64 124.30 2wxj s THR 739 Ca 0.13 1.08 -0.19 0.00 0.31 0.00 0.00 61.69 63.02 2wxj s THR 739 Cb 0.18 -3.92 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2wxj s THR 739 CO 0.63 0.03 0.52 -0.76 -0.69 0.00 0.00 174.62 174.35 2wxj s LEU 740 N 2.48 4.18 -0.48 4.42 1.43 -1.26 -0.98 118.68 128.47 2wxj s LEU 740 Ca 0.25 0.73 -0.13 0.00 -1.03 0.00 0.00 54.13 53.95 2wxj s LEU 740 Cb -0.15 -2.72 0.10 0.00 0.03 0.00 0.00 46.19 43.45 2wxj s LEU 740 CO 0.09 -0.13 0.39 -0.76 0.23 0.00 0.00 176.35 176.17 2wxj s LEU 741 N 1.36 5.73 0.00 1.79 1.43 0.12 -4.94 118.68 124.16 2wxj s LEU 741 Ca 0.25 -1.62 0.00 0.00 -1.03 0.00 0.00 54.13 51.74 2wxj s LEU 741 Cb -0.15 -2.12 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2wxj s LEU 741 CO 0.10 -0.70 0.00 -0.62 0.23 0.00 0.00 176.35 175.36 2wxj n GLU 742 N 5.11 0.00 -3.38 1.70 -0.58 -1.26 -0.77 120.64 121.45 2wxj n GLU 742 Ca -0.12 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.20 2wxj n GLU 742 Cb 0.42 -0.01 -0.09 0.00 -0.57 0.00 0.00 31.44 31.18 2wxj n GLU 742 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2wxj s GLU 743 N 0.00 3.23 0.08 3.49 0.41 -0.52 -1.51 118.70 123.88 2wxj s GLU 743 Ca 0.00 -0.71 -0.33 0.00 -0.41 0.00 0.00 54.97 53.53 2wxj s GLU 743 Cb 0.00 -3.91 -0.12 0.00 -1.78 0.00 0.00 34.13 28.32 2wxj s GLU 743 CO 0.00 -0.71 1.79 1.33 -0.49 0.00 0.00 175.26 177.17 2wxj n VAL 744 N 5.30 0.33 -3.05 2.63 0.24 -1.26 -0.63 118.33 121.89 2wxj n VAL 744 Ca -0.09 -0.06 -0.45 0.00 -2.04 0.00 0.00 64.34 61.70 2wxj n VAL 744 Cb 0.48 -1.92 -0.03 0.00 -1.47 0.00 0.00 33.84 30.90 2wxj n VAL 744 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxj h VAL 746 N 5.60 0.53 0.00 0.00 2.07 -1.92 -1.29 116.25 121.25 2wxj h VAL 746 Ca 0.05 -0.17 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 2wxj h VAL 746 Cb 1.04 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.79 2wxj h VAL 746 CO 1.02 0.09 -0.32 -0.08 0.02 0.00 0.00 177.57 178.31 2wxj h GLU 747 N 0.50 0.00 -0.02 1.57 4.57 -1.97 -1.97 114.58 117.26 2wxj h GLU 747 Ca 0.62 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.80 2wxj h GLU 747 Cb 1.35 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 2wxj h GLU 747 CO -0.39 0.32 -0.04 1.04 -1.18 0.00 0.00 179.01 178.75 2wxj n GLN 748 N -3.81 1.80 -3.16 1.92 6.02 -0.49 -4.94 117.38 114.72 2wxj n GLN 748 Ca -0.01 -1.26 -0.34 0.00 -0.01 0.00 0.00 57.00 55.38 2wxj n GLN 748 Cb 0.40 -1.47 -0.06 0.00 1.02 0.00 0.00 30.24 30.13 2wxj n GLN 748 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2wxj n THR 750 N 0.09 0.00 -4.03 0.00 -1.04 -0.78 -4.98 114.28 103.55 2wxj n THR 750 Ca 0.01 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.94 2wxj n THR 750 Cb 0.52 0.00 -0.09 0.00 -1.82 0.00 0.00 70.33 68.94 2wxj n THR 750 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 2wxj s PHE 751 N -3.76 0.42 -0.16 -1.42 -0.71 -1.26 -0.40 117.98 110.69 2wxj s PHE 751 Ca 0.00 -0.94 -0.16 0.00 -1.04 0.00 0.00 56.93 54.80 2wxj s PHE 751 Cb 0.00 -0.30 -0.04 0.00 -1.21 0.00 0.00 43.02 41.47 2wxj s PHE 751 CO 0.00 -0.43 0.37 1.41 -1.34 0.00 0.00 175.22 175.24 2wxj s MET 752 N -3.91 4.25 -0.08 1.99 -2.45 -0.75 -4.97 119.30 113.39 2wxj s MET 752 Ca 0.07 0.22 -0.06 0.00 -1.25 0.00 0.00 55.69 54.66 2wxj s MET 752 Cb 0.07 -3.47 -0.26 0.00 1.25 0.00 0.00 34.83 32.43 2wxj s MET 752 CO -0.10 0.13 3.53 -0.40 1.05 0.00 0.00 175.02 179.23 2wxj n ASP 753 N 3.90 5.32 -2.85 1.11 5.75 -1.26 -4.19 116.55 124.33 2wxj n ASP 753 Ca -0.09 -2.47 -0.15 0.00 -0.01 0.00 0.00 54.79 52.07 2wxj n ASP 753 Cb 0.52 -1.40 -0.05 0.00 -1.03 0.00 0.00 41.12 39.16 2wxj n ASP 753 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 2wxj n SER 754 N 2.57 0.60 0.00 -1.12 7.64 -1.26 -5.01 113.62 117.03 2wxj n SER 754 Ca 0.44 -2.43 0.00 0.00 1.01 0.00 0.00 58.87 57.90 2wxj n SER 754 Cb 0.87 0.81 0.00 0.00 -1.01 0.00 0.00 64.21 64.88 2wxj n SER 754 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2wxj n LYS 755 N -0.54 0.00 0.00 1.43 3.00 -1.26 0.03 118.16 120.82 2wxj n LYS 755 Ca -0.01 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.44 2wxj n LYS 755 Cb 0.40 0.00 0.57 0.00 0.00 0.00 0.00 35.03 36.00 2wxj n LYS 755 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2wxj n MET 756 N -0.08 1.29 -3.11 1.64 2.81 -1.26 -4.94 117.12 113.46 2wxj n MET 756 Ca 0.00 -0.64 -0.13 0.00 -1.81 0.00 0.00 57.70 55.12 2wxj n MET 756 Cb 0.00 -1.49 0.07 0.00 -0.71 0.00 0.00 33.22 31.09 2wxj n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxj n LYS 757 N -0.30 -5.12 -1.99 0.03 4.01 0.10 -4.67 118.16 110.23 2wxj n LYS 757 Ca 0.18 0.64 -0.36 0.00 -0.51 0.00 0.00 58.31 58.26 2wxj n LYS 757 Cb 0.31 -5.03 0.04 0.00 -0.51 0.00 0.00 35.03 29.83 2wxj n LYS 757 CO 0.00 0.00 0.00 -1.25 -1.11 0.00 0.00 177.40 175.04 2wxj s PRO 758 N -5.15 2.94 0.12 1.97 0.04 -1.26 -4.68 135.00 128.97 2wxj s PRO 758 Ca 0.06 1.84 0.00 0.00 0.04 0.00 0.00 61.00 62.94 2wxj s PRO 758 Cb -0.03 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.55 2wxj s PRO 758 CO 0.55 -1.24 0.29 -0.51 0.04 0.00 0.00 177.00 176.13 2wxj s LEU 759 N -4.11 4.32 -0.18 -3.56 1.43 0.52 -1.81 118.68 115.29 2wxj s LEU 759 Ca 0.78 0.30 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 2wxj s LEU 759 Cb -0.31 -3.03 0.04 0.00 0.03 0.00 0.00 46.19 42.92 2wxj s LEU 759 CO 0.34 0.08 -0.12 0.86 0.23 0.00 0.00 176.35 177.73 2wxj s TRP 760 N -1.67 2.39 -0.20 0.29 -0.11 0.46 -1.12 118.94 118.98 2wxj s TRP 760 Ca 0.36 -1.50 0.01 0.00 1.22 0.00 0.00 56.10 56.19 2wxj s TRP 760 Cb -0.12 -1.65 0.04 0.00 -1.50 0.00 0.00 33.47 30.24 2wxj s TRP 760 CO 0.28 -0.73 -0.14 0.42 -4.62 0.00 0.00 176.95 172.16 2wxj s ILE 761 N 1.41 1.87 0.11 5.86 -1.09 0.27 -1.87 121.20 127.76 2wxj s ILE 761 Ca 0.01 -1.07 -0.01 0.00 -2.23 0.00 0.00 60.65 57.34 2wxj s ILE 761 Cb -0.15 -1.85 -0.04 0.00 -1.58 0.00 0.00 42.46 38.84 2wxj s ILE 761 CO -0.09 0.28 0.29 -0.04 -1.23 0.00 0.00 174.94 174.14 2wxj s MET 762 N 1.31 3.50 0.07 2.79 -1.94 -1.26 -0.93 119.30 122.85 2wxj s MET 762 Ca -0.00 -0.34 0.04 0.00 -1.71 0.00 0.00 55.69 53.68 2wxj s MET 762 Cb -0.16 -2.95 -0.03 0.00 2.01 0.00 0.00 34.83 33.70 2wxj s MET 762 CO -0.09 0.53 -0.12 0.71 -0.01 0.00 0.00 175.02 176.04 2wxj s TYR 763 N -1.62 1.08 0.16 -0.03 2.02 -0.10 -1.83 117.35 117.03 2wxj s TYR 763 Ca 0.37 -0.50 0.03 0.00 -0.37 0.00 0.00 57.07 56.60 2wxj s TYR 763 Cb -0.12 -0.61 -0.05 0.00 -0.40 0.00 0.00 41.96 40.79 2wxj s TYR 763 CO 0.27 0.02 -0.04 -1.54 -1.57 0.00 0.00 175.55 172.69 2wxj s SER 764 N -1.84 1.46 -0.27 2.29 1.04 0.20 -2.56 113.70 114.01 2wxj s SER 764 Ca -0.02 -1.11 -0.01 0.00 0.48 0.00 0.00 55.95 55.29 2wxj s SER 764 Cb -0.09 0.06 0.16 0.00 0.10 0.00 0.00 66.02 66.25 2wxj s SER 764 CO 0.02 -0.48 0.47 -0.55 0.98 0.00 0.00 173.24 173.68 2wxj s SER 765 N -3.17 -0.39 0.17 7.02 0.15 -1.22 -1.43 113.70 114.82 2wxj s SER 765 Ca 0.21 0.37 -0.19 0.00 0.70 0.00 0.00 55.95 57.03 2wxj s SER 765 Cb 0.05 1.52 0.09 0.00 -1.71 0.00 0.00 66.02 65.97 2wxj s SER 765 CO 0.02 -0.29 1.63 -0.33 1.20 0.00 0.00 173.24 175.47 2wxj h GLU 766 N 8.11 -0.13 -0.90 5.44 3.07 -1.94 -1.05 114.58 127.17 2wxj h GLU 766 Ca -0.18 0.01 0.20 0.00 -0.50 0.00 0.00 59.36 58.89 2wxj h GLU 766 Cb 1.15 0.03 -0.12 0.00 -0.84 0.00 0.00 28.75 28.98 2wxj h GLU 766 CO 0.26 -0.08 0.44 0.93 -1.40 0.00 0.00 179.01 179.16 2wxj h GLU 767 N -0.13 0.48 0.00 2.33 4.39 -1.97 -0.18 114.58 119.50 2wxj h GLU 767 Ca 0.19 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.86 2wxj h GLU 767 Cb 0.43 -0.11 0.00 0.00 -0.10 0.00 0.00 28.75 28.97 2wxj h GLU 767 CO -0.47 0.32 -0.55 0.00 -1.16 0.00 0.00 179.01 177.14 2wxj n ALA 768 N -2.45 3.28 -0.69 3.43 0.00 -1.00 -3.99 120.51 119.10 2wxj n ALA 768 Ca 0.22 -0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2wxj n ALA 768 Cb 0.61 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 18.92 2wxj n ALA 768 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxj n GLY 769 N 1.44 0.93 0.42 0.00 0.00 -0.08 -2.84 105.19 105.06 2wxj n GLY 769 Ca 0.05 -0.67 0.32 0.00 0.00 0.00 0.00 46.02 45.72 2wxj n GLY 769 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2wxj n SER 770 N -3.31 0.05 0.24 1.61 7.64 -1.26 0.59 113.62 119.18 2wxj n SER 770 Ca 0.00 0.75 0.14 0.00 1.01 0.00 0.00 58.87 60.76 2wxj n SER 770 Cb 0.00 -0.37 0.41 0.00 -1.01 0.00 0.00 64.21 63.24 2wxj n SER 770 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxj h ALA 771 N 0.79 0.99 -0.45 -0.43 0.00 -1.88 -2.98 119.26 115.29 2wxj h ALA 771 Ca 0.61 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.48 2wxj h ALA 771 Cb 2.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 20.08 2wxj h ALA 771 CO -0.11 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.60 2wxj n GLY 772 N 0.58 1.59 3.49 0.00 0.00 0.20 -4.73 105.19 106.33 2wxj n GLY 772 Ca 0.02 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 2wxj n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxj s ASN 773 N -1.30 6.32 0.15 1.61 0.01 -1.13 -3.45 114.94 117.15 2wxj s ASN 773 Ca 0.39 -1.16 0.01 0.00 -0.71 0.00 0.00 52.86 51.39 2wxj s ASN 773 Cb 0.22 -2.47 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 2wxj s ASN 773 CO 0.30 -1.47 0.02 0.68 -1.51 0.00 0.00 177.10 175.11 2wxj s VAL 774 N 4.31 0.46 0.03 1.60 -7.23 -1.06 -4.98 120.40 113.53 2wxj s VAL 774 Ca 0.31 -1.95 -0.02 0.00 -1.81 0.00 0.00 61.98 58.52 2wxj s VAL 774 Cb -0.10 -2.04 -0.02 0.00 0.56 0.00 0.00 36.38 34.78 2wxj s VAL 774 CO 0.04 -0.52 0.01 -0.83 -0.31 0.00 0.00 175.10 173.49 2wxj s GLY 775 N -3.11 0.26 0.12 2.32 0.00 -1.26 -0.93 107.32 104.72 2wxj s GLY 775 Ca 0.22 -0.67 0.06 0.00 0.00 0.00 0.00 44.72 44.34 2wxj s GLY 775 CO 0.02 -0.77 -0.15 -0.26 0.00 0.00 0.00 173.10 171.94 2wxj s ILE 776 N -2.18 1.43 -0.11 0.90 -4.36 -0.10 -1.47 121.20 115.30 2wxj s ILE 776 Ca -0.09 -1.71 0.01 0.00 -0.26 0.00 0.00 60.65 58.59 2wxj s ILE 776 Cb -0.04 -1.56 -0.02 0.00 1.25 0.00 0.00 42.46 42.09 2wxj s ILE 776 CO -0.03 -0.36 -0.13 -0.63 0.24 0.00 0.00 174.94 174.03 2wxj s ILE 777 N -1.99 3.07 -0.15 8.37 1.01 0.45 -0.57 121.20 131.39 2wxj s ILE 777 Ca 0.09 -0.67 -0.04 0.00 0.00 0.00 0.00 60.65 60.04 2wxj s ILE 777 Cb -0.06 -2.27 -0.03 0.00 0.01 0.00 0.00 42.46 40.11 2wxj s ILE 777 CO 0.04 0.54 -0.03 0.12 0.00 0.00 0.00 174.94 175.60 2wxj s PHE 778 N 0.12 3.04 -0.07 3.97 5.36 -0.28 -1.53 117.98 128.59 2wxj s PHE 778 Ca -0.06 -0.24 0.01 0.00 -0.96 0.00 0.00 56.93 55.68 2wxj s PHE 778 Cb -0.15 -1.94 0.02 0.00 -0.34 0.00 0.00 43.02 40.61 2wxj s PHE 778 CO 0.05 0.02 -0.08 0.21 -1.46 0.00 0.00 175.22 173.96 2wxj s LYS 779 N 0.24 1.31 -0.07 10.12 2.20 -0.95 -0.35 119.74 132.24 2wxj s LYS 779 Ca -0.02 -0.24 -0.01 0.00 -0.36 0.00 0.00 55.97 55.34 2wxj s LYS 779 Cb -0.14 -1.24 0.03 0.00 -1.51 0.00 0.00 37.83 34.97 2wxj s LYS 779 CO 0.03 -0.10 -0.02 1.21 -0.36 0.00 0.00 175.35 176.11 2wxj s ASN 780 N 1.08 1.53 0.00 1.43 2.47 -1.26 -2.42 114.94 117.77 2wxj s ASN 780 Ca -0.08 -0.13 0.00 0.00 0.42 0.00 0.00 52.86 53.07 2wxj s ASN 780 Cb -0.14 -0.51 0.00 0.00 -1.45 0.00 0.00 41.25 39.14 2wxj s ASN 780 CO -0.01 -0.14 0.00 0.61 -3.72 0.00 0.00 177.10 173.84 2wxj n GLY 781 N 4.83 1.40 3.73 1.21 0.00 0.10 -4.85 105.19 111.60 2wxj n GLY 781 Ca -0.12 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.62 2wxj n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxj s ASP 782 N -1.43 5.17 -0.21 1.61 1.01 -1.23 -4.97 116.67 116.62 2wxj s ASP 782 Ca 0.00 -0.23 -0.13 0.00 0.71 0.00 0.00 52.55 52.91 2wxj s ASP 782 Cb 0.00 -1.25 -0.05 0.00 1.01 0.00 0.00 42.92 42.63 2wxj s ASP 782 CO 0.00 0.10 0.25 -0.62 0.21 0.00 0.00 175.17 175.11 2wxj s ASP 783 N -2.86 6.29 -0.00 0.27 2.15 -1.26 -4.01 116.67 117.24 2wxj s ASP 783 Ca 0.29 0.32 0.19 0.00 0.43 0.00 0.00 52.55 53.78 2wxj s ASP 783 Cb -0.10 -2.16 -0.21 0.00 -0.30 0.00 0.00 42.92 40.15 2wxj s ASP 783 CO 0.21 0.04 0.81 0.18 -0.17 0.00 0.00 175.17 176.24 2wxj n LEU 784 N 4.11 0.88 -0.16 -1.34 4.77 -1.26 -4.63 117.00 119.36 2wxj n LEU 784 Ca -0.13 -0.48 -0.02 0.00 -0.03 0.00 0.00 56.01 55.35 2wxj n LEU 784 Cb 0.52 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.66 2wxj n LEU 784 CO 0.38 0.22 0.80 0.03 -1.33 0.00 0.00 177.39 177.48 2wxj h ARG 785 N 0.00 0.04 -0.85 3.23 3.08 -1.99 -0.41 114.38 117.49 2wxj h ARG 785 Ca 0.00 -0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2wxj h ARG 785 Cb 0.48 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 2wxj h ARG 785 CO 0.00 0.03 0.48 0.37 -1.07 0.00 0.00 179.97 179.78 2wxj h GLN 786 N 0.04 1.17 -0.42 0.04 4.15 -1.99 -1.42 115.11 116.68 2wxj h GLN 786 Ca 0.25 -0.12 -0.10 0.00 0.77 0.00 0.00 58.65 59.44 2wxj h GLN 786 Cb 0.39 -0.24 -0.01 0.00 0.21 0.00 0.00 27.48 27.83 2wxj h GLN 786 CO -0.48 0.85 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.68 2wxj h ASP 787 N 1.18 0.86 -0.09 -0.69 3.32 -1.69 -0.98 116.42 118.33 2wxj h ASP 787 Ca 0.30 -0.38 0.02 0.00 0.02 0.00 0.00 57.03 56.99 2wxj h ASP 787 Cb 0.00 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 2wxj h ASP 787 CO -0.05 1.04 -0.03 -0.03 -1.72 0.00 0.00 179.24 178.45 2wxj h MET 788 N 0.66 -0.02 -0.37 3.56 4.05 -0.69 -0.25 114.93 121.87 2wxj h MET 788 Ca 0.10 0.00 0.04 0.00 -0.28 0.00 0.00 59.70 59.57 2wxj h MET 788 Cb 0.69 0.00 -0.04 0.00 -0.80 0.00 0.00 31.60 31.45 2wxj h MET 788 CO 0.05 -0.01 0.14 1.25 0.23 0.00 0.00 176.91 178.57 2wxj h LEU 789 N -0.02 0.15 -0.04 3.39 5.85 -1.15 0.26 115.31 123.76 2wxj h LEU 789 Ca 0.05 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.82 2wxj h LEU 789 Cb 0.08 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.12 2wxj h LEU 789 CO -0.10 0.12 -0.06 0.74 -0.34 0.00 0.00 178.44 178.80 2wxj h THR 790 N 0.29 0.83 -0.85 1.05 2.02 -0.85 -1.35 112.91 114.05 2wxj h THR 790 Ca 0.17 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.37 2wxj h THR 790 Cb 0.14 0.83 -0.04 0.00 -1.74 0.00 0.00 68.15 67.34 2wxj h THR 790 CO -0.17 0.00 0.56 -0.07 0.37 0.00 0.00 175.52 176.21 2wxj h LEU 791 N -0.09 0.95 -0.62 2.58 3.38 -0.68 -0.38 115.31 120.45 2wxj h LEU 791 Ca 0.04 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.97 2wxj h LEU 791 Cb 0.14 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2wxj h LEU 791 CO -0.09 0.68 0.30 1.56 0.09 0.00 0.00 178.44 180.97 2wxj h GLN 792 N 1.12 0.89 -0.81 1.13 4.20 -0.51 -0.56 115.11 120.56 2wxj h GLN 792 Ca 0.32 -0.13 -0.03 0.00 0.06 0.00 0.00 58.65 58.87 2wxj h GLN 792 Cb -0.07 -0.16 -0.04 0.00 0.30 0.00 0.00 27.48 27.51 2wxj h GLN 792 CO -0.08 0.71 0.38 0.52 -0.67 0.00 0.00 178.83 179.69 2wxj h MET 793 N 0.85 1.18 -0.49 1.46 2.86 -0.54 0.11 114.93 120.36 2wxj h MET 793 Ca 0.21 -0.18 -0.13 0.00 -2.06 0.00 0.00 59.70 57.55 2wxj h MET 793 Cb 0.11 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.55 2wxj h MET 793 CO -0.03 0.92 -0.19 0.82 1.06 0.00 0.00 176.91 179.49 2wxj h ILE 794 N 1.16 1.27 -0.14 -1.22 2.04 -0.91 -1.53 117.51 118.18 2wxj h ILE 794 Ca 0.28 -1.35 -0.09 0.00 1.00 0.00 0.00 64.86 64.70 2wxj h ILE 794 Cb 0.14 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.29 2wxj h ILE 794 CO -0.03 0.47 -0.33 -0.61 0.00 0.00 0.00 178.15 177.64 2wxj h GLN 795 N 0.86 0.27 -0.33 2.37 4.15 -0.55 -2.00 115.11 119.87 2wxj h GLN 795 Ca 0.12 -0.11 -0.00 0.00 0.77 0.00 0.00 58.65 59.43 2wxj h GLN 795 Cb 0.76 -0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.42 2wxj h GLN 795 CO 0.06 0.58 0.21 1.25 -1.93 0.00 0.00 178.83 178.99 2wxj h LEU 796 N 0.24 0.40 -0.43 -2.39 5.85 -0.39 -2.07 115.31 116.52 2wxj h LEU 796 Ca 0.03 -0.04 0.08 0.00 0.84 0.00 0.00 57.88 58.79 2wxj h LEU 796 Cb 0.70 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 41.56 2wxj h LEU 796 CO 0.05 0.32 -0.03 0.24 -0.34 0.00 0.00 178.44 178.69 2wxj h MET 797 N 0.43 0.08 -0.42 1.25 2.86 -0.71 -0.64 114.93 117.79 2wxj h MET 797 Ca 0.12 -0.00 0.04 0.00 -2.06 0.00 0.00 59.70 57.80 2wxj h MET 797 Cb -0.01 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.60 2wxj h MET 797 CO -0.02 0.05 0.18 0.22 1.06 0.00 0.00 176.91 178.40 2wxj h ASP 798 N 0.08 0.23 -0.51 1.22 3.58 -1.18 0.55 116.42 120.38 2wxj h ASP 798 Ca 0.21 0.03 0.03 0.00 0.42 0.00 0.00 57.03 57.73 2wxj h ASP 798 Cb 0.32 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.33 2wxj h ASP 798 CO -0.38 0.17 0.29 0.58 -2.88 0.00 0.00 179.24 177.02 2wxj h VAL 799 N 0.37 1.03 -0.47 2.25 2.07 -0.93 0.23 116.25 120.79 2wxj h VAL 799 Ca 0.19 -0.20 -0.11 0.00 0.82 0.00 0.00 66.70 67.40 2wxj h VAL 799 Cb 0.13 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.29 2wxj h VAL 799 CO -0.16 0.11 -0.14 -0.07 0.02 0.00 0.00 177.57 177.33 2wxj h LEU 800 N 0.58 0.93 -0.06 2.57 3.38 -0.37 -1.35 115.31 121.00 2wxj h LEU 800 Ca 0.21 -0.37 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2wxj h LEU 800 Cb 0.05 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.54 2wxj h LEU 800 CO -0.11 1.09 0.04 -0.50 0.09 0.00 0.00 178.44 179.05 2wxj h TRP 801 N 0.77 0.08 -0.40 1.13 6.55 0.31 -2.99 115.95 121.41 2wxj h TRP 801 Ca 0.12 0.00 0.01 0.00 0.95 0.00 0.00 58.89 59.97 2wxj h TRP 801 Cb 0.70 -0.03 -0.02 0.00 -0.86 0.00 0.00 29.16 28.95 2wxj h TRP 801 CO 0.05 0.07 0.26 0.87 -1.05 0.00 0.00 178.44 178.64 2wxj h LYS 802 N 0.07 0.50 0.00 0.49 1.57 -0.21 -1.08 116.57 117.92 2wxj h LYS 802 Ca 0.02 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2wxj h LYS 802 Cb 0.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2wxj h LYS 802 CO -0.00 0.33 0.00 1.04 -0.57 0.00 0.00 179.45 180.25 2wxj n GLN 803 N -4.48 0.13 -0.55 3.15 6.02 -0.52 -1.38 117.38 119.75 2wxj n GLN 803 Ca 0.03 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.52 2wxj n GLN 803 Cb 0.07 -1.78 0.30 0.00 1.02 0.00 0.00 30.24 29.86 2wxj n GLN 803 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 177.06 176.44 2wxj n GLU 804 N -2.03 3.57 -1.17 -1.09 -0.58 -0.50 -4.96 120.64 113.87 2wxj n GLU 804 Ca 0.02 -2.82 -0.06 0.00 -0.42 0.00 0.00 57.16 53.88 2wxj n GLU 804 Cb 0.18 -1.87 -0.03 0.00 -0.57 0.00 0.00 31.44 29.15 2wxj n GLU 804 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wxj n GLY 805 N 0.30 0.82 3.38 0.62 0.00 -0.48 -5.03 105.19 104.81 2wxj n GLY 805 Ca 0.23 -0.52 -0.38 0.00 0.00 0.00 0.00 46.02 45.34 2wxj n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxj s LEU 806 N -1.35 4.04 -0.35 0.99 2.96 -0.67 -4.98 118.68 119.32 2wxj s LEU 806 Ca 0.00 -0.68 -0.07 0.00 -0.22 0.00 0.00 54.13 53.16 2wxj s LEU 806 Cb 0.00 -1.94 0.05 0.00 0.50 0.00 0.00 46.19 44.80 2wxj s LEU 806 CO 0.00 -0.21 0.13 -0.62 -1.32 0.00 0.00 176.35 174.33 2wxj s ASP 807 N 1.54 5.37 -0.10 3.68 2.15 -1.26 -2.44 116.67 125.61 2wxj s ASP 807 Ca 0.03 -1.22 0.18 0.00 0.43 0.00 0.00 52.55 51.97 2wxj s ASP 807 Cb -0.17 -1.89 0.69 0.00 -0.30 0.00 0.00 42.92 41.25 2wxj s ASP 807 CO 0.04 -0.36 1.59 0.18 -0.17 0.00 0.00 175.17 176.45 2wxj n LEU 808 N 4.82 4.50 -3.48 -1.34 4.77 -1.26 -4.94 117.00 120.07 2wxj n LEU 808 Ca -0.12 -2.27 -0.23 0.00 -0.03 0.00 0.00 56.01 53.36 2wxj n LEU 808 Cb 0.44 -0.56 0.08 0.00 -2.33 0.00 0.00 43.42 41.05 2wxj n LEU 808 CO 0.33 0.80 0.24 0.54 -1.33 0.00 0.00 177.39 177.96 2wxj n ARG 809 N 1.15 -7.69 -0.88 3.23 5.12 -1.26 -1.93 116.66 114.40 2wxj n ARG 809 Ca 0.25 0.80 -0.30 0.00 -1.93 0.00 0.00 57.85 56.67 2wxj n ARG 809 Cb 0.83 -5.77 0.17 0.00 -1.16 0.00 0.00 32.46 26.53 2wxj n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxj s MET 810 N -6.25 0.87 -0.60 5.56 -1.94 -1.26 -4.66 119.30 111.02 2wxj s MET 810 Ca 0.56 1.17 0.04 0.00 -1.71 0.00 0.00 55.69 55.75 2wxj s MET 810 Cb -0.24 -1.74 0.16 0.00 2.01 0.00 0.00 34.83 35.02 2wxj s MET 810 CO 0.70 -2.61 0.41 0.99 -0.01 0.00 0.00 175.02 174.51 2wxj s THR 811 N -2.72 2.20 -1.32 2.05 2.01 -1.26 -5.03 115.64 111.56 2wxj s THR 811 Ca 0.65 -3.68 -0.17 0.00 0.31 0.00 0.00 61.69 58.80 2wxj s THR 811 Cb -0.21 -2.47 0.06 0.00 0.01 0.00 0.00 72.50 69.89 2wxj s THR 811 CO 0.59 -1.02 1.84 -0.81 -0.69 0.00 0.00 174.62 174.53 2wxj n PRO 812 N 2.42 3.08 -3.05 4.92 -0.04 -1.26 -4.96 135.00 136.12 2wxj n PRO 812 Ca 0.19 -3.12 -0.34 0.00 -0.04 0.00 0.00 63.50 60.19 2wxj n PRO 812 Cb 0.37 -3.46 -0.06 0.00 -0.04 0.00 0.00 33.50 30.31 2wxj n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxj s TYR 813 N 4.23 3.46 0.41 0.54 -0.85 -1.26 -5.02 117.35 118.86 2wxj s TYR 813 Ca 0.53 1.37 -0.26 0.00 -0.52 0.00 0.00 57.07 58.19 2wxj s TYR 813 Cb 0.06 -2.64 -0.10 0.00 0.38 0.00 0.00 41.96 39.66 2wxj s TYR 813 CO 0.05 0.13 1.38 0.41 -1.52 0.00 0.00 175.55 176.00 2wxj n GLY 814 N -0.06 0.88 3.39 5.49 0.00 -1.26 -4.86 105.19 108.77 2wxj n GLY 814 Ca 0.02 0.24 -0.06 0.00 0.00 0.00 0.00 46.02 46.23 2wxj n GLY 814 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wxj s LEU 816 N 2.67 -0.17 0.33 0.00 2.96 0.67 -4.73 118.68 120.42 2wxj s LEU 816 Ca -0.03 0.18 -0.28 0.00 -0.22 0.00 0.00 54.13 53.78 2wxj s LEU 816 Cb -0.12 0.47 -0.09 0.00 0.50 0.00 0.00 46.19 46.95 2wxj s LEU 816 CO -0.15 -0.28 1.16 -2.84 -1.32 0.00 0.00 176.35 172.92 2wxj s PRO 817 N 2.35 4.38 0.00 0.98 0.02 -1.26 -0.21 135.00 141.26 2wxj s PRO 817 Ca 0.04 1.89 0.00 0.00 0.02 0.00 0.00 61.00 62.95 2wxj s PRO 817 Cb -0.14 -2.97 0.00 0.00 0.02 0.00 0.00 34.50 31.41 2wxj s PRO 817 CO -0.09 -0.05 0.00 0.25 -0.33 0.00 0.00 177.00 176.78 2wxj n THR 818 N 0.70 0.00 -3.15 0.99 -2.24 0.26 -4.69 114.28 106.14 2wxj n THR 818 Ca 0.01 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2wxj n THR 818 Cb 0.45 0.61 0.00 0.00 -2.10 0.00 0.00 70.33 69.29 2wxj n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxj n GLY 819 N 1.27 1.47 3.59 3.38 0.00 -0.42 -3.71 105.19 110.77 2wxj n GLY 819 Ca 0.00 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2wxj n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxj s ASP 820 N -0.09 5.28 -1.65 1.61 2.15 -1.26 -2.17 116.67 120.53 2wxj s ASP 820 Ca 0.00 1.57 -0.17 0.00 0.43 0.00 0.00 52.55 54.38 2wxj s ASP 820 Cb 0.00 -2.51 0.14 0.00 -0.30 0.00 0.00 42.92 40.25 2wxj s ASP 820 CO 0.00 -2.15 0.81 0.54 -0.17 0.00 0.00 175.17 174.20 2wxj n ARG 821 N 8.79 -3.61 -3.77 4.34 1.74 -1.26 -4.74 116.66 118.16 2wxj n ARG 821 Ca 0.30 0.42 -0.15 0.00 -0.77 0.00 0.00 57.85 57.65 2wxj n ARG 821 Cb 0.48 -5.18 -0.16 0.00 -1.02 0.00 0.00 32.46 26.58 2wxj n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxj s THR 822 N -3.25 -0.06 0.00 0.55 2.01 -0.92 -0.72 115.64 113.25 2wxj s THR 822 Ca 0.72 0.21 0.00 0.00 0.31 0.00 0.00 61.69 62.93 2wxj s THR 822 Cb -0.39 -0.10 0.00 0.00 0.01 0.00 0.00 72.50 72.02 2wxj s THR 822 CO 0.88 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 175.51 2wxj n GLY 823 N 4.19 1.88 3.08 4.40 0.00 -1.02 0.89 105.19 118.61 2wxj n GLY 823 Ca -0.28 -0.68 -0.17 0.00 0.00 0.00 0.00 46.02 44.89 2wxj n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxj s LEU 824 N 0.00 2.16 -0.00 0.99 1.43 0.71 -2.23 118.68 121.74 2wxj s LEU 824 Ca 0.00 -0.41 0.05 0.00 -1.03 0.00 0.00 54.13 52.74 2wxj s LEU 824 Cb 0.00 -0.40 -0.01 0.00 0.03 0.00 0.00 46.19 45.80 2wxj s LEU 824 CO 0.00 -0.03 -0.16 -0.63 0.23 0.00 0.00 176.35 175.76 2wxj s ILE 825 N -0.85 1.27 -0.06 -0.59 1.01 -0.58 -0.24 121.20 121.16 2wxj s ILE 825 Ca -0.02 -0.75 -0.27 0.00 0.00 0.00 0.00 60.65 59.61 2wxj s ILE 825 Cb -0.07 -1.07 -0.03 0.00 0.01 0.00 0.00 42.46 41.30 2wxj s ILE 825 CO 0.01 0.30 0.87 -0.70 0.00 0.00 0.00 174.94 175.42 2wxj s GLU 826 N -0.52 4.47 0.01 2.79 2.12 -0.55 -0.41 118.70 126.61 2wxj s GLU 826 Ca 0.06 1.18 -0.30 0.00 0.36 0.00 0.00 54.97 56.26 2wxj s GLU 826 Cb -0.06 -3.48 -0.07 0.00 0.26 0.00 0.00 34.13 30.78 2wxj s GLU 826 CO -0.00 -0.08 1.61 0.08 -0.54 0.00 0.00 175.26 176.33 2wxj s VAL 827 N 1.21 3.38 -0.37 3.70 1.01 -0.54 -4.73 120.40 124.05 2wxj s VAL 827 Ca 0.45 0.68 -0.15 0.00 0.00 0.00 0.00 61.98 62.96 2wxj s VAL 827 Cb -0.19 -3.44 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 2wxj s VAL 827 CO 0.21 -0.02 0.34 -0.69 0.00 0.00 0.00 175.10 174.94 2wxj s VAL 828 N 3.14 5.19 0.64 2.92 1.01 -1.26 -4.54 120.40 127.50 2wxj s VAL 828 Ca 0.72 -0.19 -0.10 0.00 0.00 0.00 0.00 61.98 62.41 2wxj s VAL 828 Cb -0.36 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.16 2wxj s VAL 828 CO 0.30 -0.17 1.02 -0.76 0.00 0.00 0.00 175.10 175.49 2wxj s LEU 829 N 1.93 3.11 -1.31 3.92 1.43 -1.26 -4.13 118.68 122.37 2wxj s LEU 829 Ca 0.10 1.11 -0.08 0.00 -1.03 0.00 0.00 54.13 54.23 2wxj s LEU 829 Cb -0.17 -4.00 0.01 0.00 0.03 0.00 0.00 46.19 42.06 2wxj s LEU 829 CO 0.12 -1.10 1.00 1.41 0.23 0.00 0.00 176.35 178.00 2wxj n HIS 830 N -2.79 -2.52 -4.19 0.29 8.25 -1.26 -4.86 115.22 108.13 2wxj n HIS 830 Ca 0.06 0.85 -0.13 0.00 -0.26 0.00 0.00 57.72 58.24 2wxj n HIS 830 Cb 0.56 -4.68 -0.10 0.00 1.12 0.00 0.00 29.99 26.89 2wxj n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxj s SER 831 N -3.18 1.42 0.20 0.41 1.04 -1.26 -1.44 113.70 110.89 2wxj s SER 831 Ca 0.49 -0.93 -0.11 0.00 0.48 0.00 0.00 55.95 55.88 2wxj s SER 831 Cb -0.22 0.03 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 2wxj s SER 831 CO 0.61 -0.35 0.37 -0.62 0.98 0.00 0.00 173.24 174.23 2wxj s ASP 832 N -2.84 -0.04 0.31 7.02 -1.08 -0.73 -4.99 116.67 114.32 2wxj s ASP 832 Ca 0.10 -0.88 -0.19 0.00 -0.52 0.00 0.00 52.55 51.07 2wxj s ASP 832 Cb 0.01 0.50 -0.09 0.00 -1.46 0.00 0.00 42.92 41.88 2wxj s ASP 832 CO -0.02 -1.00 0.80 0.42 0.52 0.00 0.00 175.17 175.90 2wxj s THR 833 N -3.99 4.52 0.25 1.71 -4.23 -1.26 -1.64 115.64 111.01 2wxj s THR 833 Ca 0.19 1.28 -0.03 0.00 -1.18 0.00 0.00 61.69 61.95 2wxj s THR 833 Cb 0.02 -3.74 0.22 0.00 1.34 0.00 0.00 72.50 70.33 2wxj s THR 833 CO 0.04 -0.04 1.78 0.40 -0.54 0.00 0.00 174.62 176.25 2wxj h ILE 834 N 2.28 0.81 0.23 2.99 1.08 -1.29 -2.05 117.51 121.56 2wxj h ILE 834 Ca -0.48 -0.23 0.01 0.00 -0.39 0.00 0.00 64.86 63.77 2wxj h ILE 834 Cb 1.18 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.98 2wxj h ILE 834 CO 0.64 0.12 -0.41 0.00 -0.69 0.00 0.00 178.15 177.82 2wxj h ALA 835 N 1.50 -0.79 -0.23 1.87 0.00 -1.03 0.23 119.26 120.81 2wxj h ALA 835 Ca 0.42 -0.10 0.06 0.00 0.00 0.00 0.00 54.91 55.29 2wxj h ALA 835 Cb 0.50 0.64 -0.07 0.00 0.00 0.00 0.00 17.79 18.86 2wxj h ALA 835 CO -0.31 -1.00 -0.32 -0.97 0.00 0.00 0.00 179.25 176.65 2wxj h ASN 836 N -0.72 -1.03 -0.84 0.00 -1.24 -1.81 -1.12 115.58 108.84 2wxj h ASN 836 Ca -0.00 0.16 0.07 0.00 0.71 0.00 0.00 56.30 57.24 2wxj h ASN 836 Cb 0.70 0.45 -0.06 0.00 0.73 0.00 0.00 38.32 40.13 2wxj h ASN 836 CO -0.17 -0.34 0.51 0.40 -1.29 0.00 0.00 177.43 176.53 2wxj h ILE 837 N -0.34 1.00 0.00 2.57 2.04 -1.18 -1.34 117.51 120.25 2wxj h ILE 837 Ca 0.12 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.67 2wxj h ILE 837 Cb 0.54 0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.64 2wxj h ILE 837 CO -0.42 0.16 0.00 0.00 0.00 0.00 0.00 178.15 177.89 2wxj n GLN 838 N -4.67 0.63 0.12 2.37 6.02 0.78 -2.63 117.38 120.00 2wxj n GLN 838 Ca 0.13 0.00 0.12 0.00 -0.01 0.00 0.00 57.00 57.23 2wxj n GLN 838 Cb 0.21 -1.36 0.47 0.00 1.02 0.00 0.00 30.24 30.58 2wxj n GLN 838 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2wxj n LEU 839 N -0.86 0.63 -3.88 1.08 4.77 -0.51 -4.92 117.00 113.31 2wxj n LEU 839 Ca 0.11 0.65 -0.34 0.00 -0.03 0.00 0.00 56.01 56.40 2wxj n LEU 839 Cb 0.05 -0.55 0.01 0.00 -2.33 0.00 0.00 43.42 40.60 2wxj n LEU 839 CO 0.08 -0.51 -0.16 -3.20 -1.33 0.00 0.00 177.39 172.27 2wxj n ASN 840 N -2.19 -3.39 -4.77 -1.43 5.15 -1.08 -4.90 115.26 102.66 2wxj n ASN 840 Ca 0.02 -1.10 -0.38 0.00 -0.60 0.00 0.00 54.58 52.52 2wxj n ASN 840 Cb 0.24 -2.78 -0.02 0.00 -0.53 0.00 0.00 39.78 36.69 2wxj n ASN 840 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 2wxj s LYS 841 N -6.56 4.12 0.81 1.20 1.02 -1.26 -4.84 119.74 114.22 2wxj s LYS 841 Ca 0.33 1.78 -0.12 0.00 0.02 0.00 0.00 55.97 57.99 2wxj s LYS 841 Cb -0.14 -2.69 0.08 0.00 -0.52 0.00 0.00 37.83 34.55 2wxj s LYS 841 CO 0.90 -0.25 1.11 -1.54 -0.92 0.00 0.00 175.35 174.66 2wxj s SER 842 N -1.18 4.39 -0.92 2.83 1.04 -1.26 -4.08 113.70 114.51 2wxj s SER 842 Ca 0.56 1.18 0.00 0.00 0.48 0.00 0.00 55.95 58.17 2wxj s SER 842 Cb -0.29 -1.87 0.00 0.00 0.10 0.00 0.00 66.02 63.96 2wxj s SER 842 CO 0.37 -2.02 0.00 0.59 0.98 0.00 0.00 173.24 173.16 2wxj n ASN 843 N -3.45 -3.76 -4.24 7.02 4.13 -1.26 -5.01 115.26 108.70 2wxj n ASN 843 Ca 0.07 0.13 -0.18 0.00 1.68 0.00 0.00 54.58 56.28 2wxj n ASN 843 Cb 0.57 -2.48 -0.11 0.00 -1.54 0.00 0.00 39.78 36.22 2wxj n ASN 843 CO 0.00 0.00 0.00 -0.04 0.28 0.00 0.00 177.26 177.50 2wxj s MET 844 N -3.49 1.02 0.38 3.52 -1.94 -1.26 -5.02 119.30 112.51 2wxj s MET 844 Ca 0.00 -1.22 0.12 0.00 -1.71 0.00 0.00 55.69 52.88 2wxj s MET 844 Cb 0.00 -0.94 0.92 0.00 2.01 0.00 0.00 34.83 36.82 2wxj s MET 844 CO 0.00 0.19 1.86 0.00 -0.01 0.00 0.00 175.02 177.06 2wxj h ALA 845 N 3.60 1.96 -0.56 3.03 0.00 -1.95 -3.14 119.26 122.21 2wxj h ALA 845 Ca -0.40 0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.53 2wxj h ALA 845 Cb 1.20 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.90 2wxj h ALA 845 CO 0.49 -0.22 0.00 0.00 0.00 0.00 0.00 179.25 179.52 2wxj n ALA 846 N -2.46 3.14 -2.01 0.00 0.00 -1.26 -4.93 120.51 112.98 2wxj n ALA 846 Ca 0.18 -1.42 -0.43 0.00 0.00 0.00 0.00 53.44 51.77 2wxj n ALA 846 Cb 0.55 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.93 2wxj n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wxj s THR 847 N -1.92 3.57 -0.01 0.00 2.01 -1.19 -4.61 115.64 113.48 2wxj s THR 847 Ca 0.45 0.66 -0.03 0.00 0.31 0.00 0.00 61.69 63.08 2wxj s THR 847 Cb 0.30 -3.51 -0.04 0.00 0.01 0.00 0.00 72.50 69.25 2wxj s THR 847 CO 0.20 -0.15 0.19 0.00 -0.69 0.00 0.00 174.62 174.17 2wxj s ALA 848 N 4.85 3.94 0.44 7.40 0.00 -1.26 -4.98 121.76 132.14 2wxj s ALA 848 Ca 0.75 -0.73 0.14 0.00 0.00 0.00 0.00 51.96 52.12 2wxj s ALA 848 Cb -0.30 -1.91 0.96 0.00 0.00 0.00 0.00 23.12 21.87 2wxj s ALA 848 CO 0.30 0.73 1.97 0.00 0.00 0.00 0.00 175.76 178.76 2wxj h ALA 849 N 3.89 1.65 -3.45 0.00 0.00 -1.99 -3.42 119.26 115.95 2wxj h ALA 849 Ca -0.49 -0.19 -0.43 0.00 0.00 0.00 0.00 54.91 53.80 2wxj h ALA 849 Cb 1.19 -0.03 -0.34 0.00 0.00 0.00 0.00 17.79 18.61 2wxj h ALA 849 CO 0.68 0.26 -0.78 -0.06 0.00 0.00 0.00 179.25 179.36 2wxj s PHE 850 N -4.58 0.85 0.43 0.00 0.08 -1.26 -5.04 117.98 108.46 2wxj s PHE 850 Ca -0.04 -0.26 0.22 0.00 0.12 0.00 0.00 56.93 56.97 2wxj s PHE 850 Cb 0.16 -0.73 1.19 0.00 -0.57 0.00 0.00 43.02 43.07 2wxj s PHE 850 CO 0.70 -0.21 1.80 -0.97 -0.10 0.00 0.00 175.22 176.44 2wxj h ASN 851 N 7.19 0.34 0.09 1.36 -1.24 -1.99 0.71 115.58 122.04 2wxj h ASN 851 Ca -0.36 0.06 0.00 0.00 0.71 0.00 0.00 56.30 56.70 2wxj h ASN 851 Cb 1.16 0.00 0.00 0.00 0.73 0.00 0.00 38.32 40.21 2wxj h ASN 851 CO 0.46 0.08 0.00 0.07 -1.29 0.00 0.00 177.43 176.76 2wxj h LYS 852 N 0.31 0.00 0.00 6.67 2.10 -1.97 -1.49 116.57 122.19 2wxj h LYS 852 Ca 0.55 0.00 -0.05 0.00 -2.00 0.00 0.00 60.65 59.15 2wxj h LYS 852 Cb 1.56 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.89 2wxj h LYS 852 CO -0.21 0.00 -0.42 -0.44 -2.00 0.00 0.00 179.45 176.38 2wxj h ASP 853 N 0.00 0.00 -0.81 7.07 3.32 -1.26 -3.40 116.42 121.34 2wxj h ASP 853 Ca 0.00 0.00 0.16 0.00 0.02 0.00 0.00 57.03 57.21 2wxj h ASP 853 Cb 0.04 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 39.44 2wxj h ASP 853 CO 0.00 0.22 -0.23 0.00 -1.72 0.00 0.00 179.24 177.51 2wxj h ALA 854 N 1.78 0.47 -0.18 3.45 0.00 -1.36 0.14 119.26 123.56 2wxj h ALA 854 Ca -0.02 0.30 -0.13 0.00 0.00 0.00 0.00 54.91 55.07 2wxj h ALA 854 Cb 1.18 0.66 -0.01 0.00 0.00 0.00 0.00 17.79 19.62 2wxj h ALA 854 CO 0.03 -0.44 -0.44 1.25 0.00 0.00 0.00 179.25 179.65 2wxj h LEU 855 N -0.01 0.47 -0.04 0.00 6.46 -1.79 -0.73 115.31 119.67 2wxj h LEU 855 Ca 0.38 -0.21 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2wxj h LEU 855 Cb 0.59 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.39 2wxj h LEU 855 CO -0.84 0.85 -0.08 0.25 -0.62 0.00 0.00 178.44 178.00 2wxj h LEU 856 N 0.36 0.14 -0.88 2.25 5.85 -1.33 -2.61 115.31 119.09 2wxj h LEU 856 Ca 0.03 -0.58 0.22 0.00 0.84 0.00 0.00 57.88 58.40 2wxj h LEU 856 Cb 0.91 -0.04 -0.13 0.00 0.37 0.00 0.00 40.66 41.77 2wxj h LEU 856 CO 0.08 0.69 0.31 0.78 -0.34 0.00 0.00 178.44 179.96 2wxj h ASN 857 N -0.41 0.16 -0.14 1.25 4.21 -0.66 0.10 115.58 120.10 2wxj h ASN 857 Ca 0.00 0.17 -0.01 0.00 1.21 0.00 0.00 56.30 57.67 2wxj h ASN 857 Cb 0.67 0.20 -0.01 0.00 -1.12 0.00 0.00 38.32 38.06 2wxj h ASN 857 CO 0.02 -0.08 0.05 -0.25 -1.29 0.00 0.00 177.43 175.88 2wxj h TRP 858 N 0.30 0.22 -0.51 1.19 7.01 -1.05 -1.57 115.95 121.54 2wxj h TRP 858 Ca 0.55 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.56 2wxj h TRP 858 Cb 1.07 -0.07 -0.04 0.00 -2.10 0.00 0.00 29.16 28.03 2wxj h TRP 858 CO -0.20 0.32 0.30 -0.07 -2.79 0.00 0.00 178.44 176.00 2wxj h LEU 859 N 0.06 0.47 -0.58 0.65 3.38 -0.99 -2.37 115.31 115.93 2wxj h LEU 859 Ca 0.05 0.01 0.11 0.00 0.09 0.00 0.00 57.88 58.13 2wxj h LEU 859 Cb 0.19 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.77 2wxj h LEU 859 CO -0.00 0.33 0.11 0.11 0.09 0.00 0.00 178.44 179.08 2wxj h LYS 860 N 0.59 0.24 0.00 1.13 1.57 -0.47 -0.05 116.57 119.59 2wxj h LYS 860 Ca 0.21 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.92 2wxj h LYS 860 Cb 0.04 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 2wxj h LYS 860 CO -0.11 0.16 -0.26 0.66 -0.57 0.00 0.00 179.45 179.33 2wxj h SER 861 N 0.24 0.00 0.96 0.86 4.64 -1.04 -2.61 113.55 116.60 2wxj h SER 861 Ca 0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.62 2wxj h SER 861 Cb 0.44 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.53 2wxj h SER 861 CO -0.40 0.26 -0.70 0.11 -0.87 0.00 0.00 176.83 175.23 2wxj h LYS 862 N 0.00 0.00 -1.98 4.77 1.79 -0.79 -3.43 116.57 116.93 2wxj h LYS 862 Ca -0.00 0.00 -0.51 0.00 -2.18 0.00 0.00 60.65 57.96 2wxj h LYS 862 Cb 0.63 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.94 2wxj h LYS 862 CO 0.03 0.00 -0.92 0.09 -1.08 0.00 0.00 179.45 177.57 2wxj n ASN 863 N -2.33 -0.86 -4.86 0.86 3.02 -0.12 -4.98 115.26 106.00 2wxj n ASN 863 Ca 0.02 -2.56 -0.29 0.00 -0.03 0.00 0.00 54.58 51.72 2wxj n ASN 863 Cb 0.48 -0.15 0.10 0.00 -0.61 0.00 0.00 39.78 39.60 2wxj n ASN 863 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wxj s PRO 864 N -0.08 1.83 4.87 3.52 0.04 -1.20 -2.61 135.00 141.37 2wxj s PRO 864 Ca 0.33 0.24 0.00 0.00 0.04 0.00 0.00 61.00 61.61 2wxj s PRO 864 Cb 0.07 -1.92 0.00 0.00 0.04 0.00 0.00 34.50 32.69 2wxj s PRO 864 CO -0.16 -1.71 0.00 0.41 0.04 0.00 0.00 177.00 175.57 2wxj n GLY 865 N -2.88 3.11 0.00 0.56 0.00 -1.26 -1.41 105.19 103.31 2wxj n GLY 865 Ca 0.07 -0.09 0.11 0.00 0.00 0.00 0.00 46.02 46.11 2wxj n GLY 865 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2wxj n GLU 866 N 14.00 0.17 0.26 1.61 1.02 -1.26 -3.08 120.64 133.36 2wxj n GLU 866 Ca 0.00 0.10 0.15 0.00 -0.02 0.00 0.00 57.16 57.39 2wxj n GLU 866 Cb 0.00 -1.50 0.62 0.00 -0.02 0.00 0.00 31.44 30.54 2wxj n GLU 866 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxj h ALA 867 N 2.91 1.02 -0.47 0.62 0.00 -1.46 -3.29 119.26 118.59 2wxj h ALA 867 Ca 0.00 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wxj h ALA 867 Cb 0.28 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2wxj h ALA 867 CO 0.00 0.09 0.28 1.25 0.00 0.00 0.00 179.25 180.87 2wxj h LEU 868 N 0.00 0.57 -0.60 0.00 5.85 -1.43 -2.85 115.31 116.86 2wxj h LEU 868 Ca -0.00 -0.07 0.12 0.00 0.84 0.00 0.00 57.88 58.78 2wxj h LEU 868 Cb 0.58 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.36 2wxj h LEU 868 CO 0.01 0.47 -0.00 0.44 -0.34 0.00 0.00 178.44 179.02 2wxj h ASP 869 N 0.63 -0.27 0.19 1.25 3.32 -1.82 -1.62 116.42 118.10 2wxj h ASP 869 Ca 0.17 0.15 -0.11 0.00 0.02 0.00 0.00 57.03 57.25 2wxj h ASP 869 Cb 0.01 0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.81 2wxj h ASP 869 CO -0.03 -0.11 -0.42 -0.09 -1.72 0.00 0.00 179.24 176.87 2wxj h ARG 870 N 0.12 0.30 -0.46 3.56 9.65 -1.72 -1.95 114.38 123.87 2wxj h ARG 870 Ca 0.31 -0.15 -0.11 0.00 -1.10 0.00 0.00 59.98 58.94 2wxj h ARG 870 Cb 0.50 0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.06 2wxj h ARG 870 CO -0.51 0.67 -0.12 0.00 2.80 0.00 0.00 179.97 182.81 2wxj h ALA 871 N 1.31 0.64 -0.22 2.80 0.00 -1.20 0.18 119.26 122.76 2wxj h ALA 871 Ca 0.02 -0.34 -0.04 0.00 0.00 0.00 0.00 54.91 54.55 2wxj h ALA 871 Cb 0.85 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 2wxj h ALA 871 CO 0.07 0.55 -0.03 0.82 0.00 0.00 0.00 179.25 180.65 2wxj h ILE 872 N 0.74 1.16 -0.13 0.00 2.04 -1.18 0.97 117.51 121.11 2wxj h ILE 872 Ca 0.12 -0.64 -0.22 0.00 1.00 0.00 0.00 64.86 65.12 2wxj h ILE 872 Cb 0.68 1.03 0.01 0.00 -0.74 0.00 0.00 36.82 37.79 2wxj h ILE 872 CO 0.05 0.21 -0.78 -0.08 0.00 0.00 0.00 178.15 177.55 2wxj h GLU 873 N 0.33 0.71 -0.45 2.37 4.57 -0.81 -1.83 114.58 119.46 2wxj h GLU 873 Ca 0.07 -0.59 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 2wxj h GLU 873 Cb 0.27 0.12 -0.02 0.00 -0.16 0.00 0.00 28.75 28.97 2wxj h GLU 873 CO 0.01 1.20 0.30 0.93 -1.18 0.00 0.00 179.01 180.27 2wxj h GLU 874 N 0.48 0.60 -0.87 1.92 4.39 -0.23 -0.88 114.58 120.00 2wxj h GLU 874 Ca -0.05 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.64 2wxj h GLU 874 Cb 1.40 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.87 2wxj h GLU 874 CO 0.16 0.40 0.56 0.35 -1.16 0.00 0.00 179.01 179.32 2wxj h PHE 875 N 0.62 1.06 -0.07 4.33 3.57 -0.78 -0.79 116.94 124.88 2wxj h PHE 875 Ca 0.17 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.65 2wxj h PHE 875 Cb -0.07 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.32 2wxj h PHE 875 CO -0.04 0.62 -0.12 1.15 -2.23 0.00 0.00 178.31 177.69 2wxj h THR 876 N 1.10 1.41 0.39 4.41 2.02 -0.89 -0.01 112.91 121.33 2wxj h THR 876 Ca 0.34 -1.40 -0.01 0.00 0.77 0.00 0.00 66.41 66.11 2wxj h THR 876 Cb -0.02 2.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.55 2wxj h THR 876 CO -0.11 0.39 -0.27 -0.07 0.37 0.00 0.00 175.52 175.83 2wxj h LEU 877 N -0.28 -0.68 -0.68 2.58 3.38 -1.14 -1.96 115.31 116.53 2wxj h LEU 877 Ca 0.00 0.05 0.02 0.00 0.09 0.00 0.00 57.88 58.04 2wxj h LEU 877 Cb 0.69 0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.61 2wxj h LEU 877 CO 0.03 -0.41 0.43 0.77 0.09 0.00 0.00 178.44 179.34 2wxj h SER 878 N -0.64 0.72 -0.75 -0.43 4.64 -0.45 -2.30 113.55 114.35 2wxj h SER 878 Ca -0.04 -0.01 0.04 0.00 -0.47 0.00 0.00 61.79 61.32 2wxj h SER 878 Cb 0.54 -0.16 -0.05 0.00 -0.31 0.00 0.00 62.40 62.42 2wxj h SER 878 CO 0.02 0.50 0.46 0.00 -0.87 0.00 0.00 176.83 176.95 2wxj h ALA 880 N 1.34 0.49 -0.28 0.00 0.00 -0.91 -0.53 119.26 119.37 2wxj h ALA 880 Ca 0.31 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.21 2wxj h ALA 880 Cb 0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 2wxj h ALA 880 CO -0.14 -0.10 0.17 0.78 0.00 0.00 0.00 179.25 179.96 2wxj h GLY 881 N 0.47 0.41 2.00 0.00 0.00 -1.02 -1.90 103.07 103.03 2wxj h GLY 881 Ca 0.15 -0.17 -0.11 0.00 0.00 0.00 0.00 47.33 47.20 2wxj h GLY 881 CO -0.06 0.17 -0.54 -0.97 0.00 0.00 0.00 176.54 175.14 2wxj h TYR 882 N 0.36 0.00 -0.34 5.60 0.05 -1.23 -0.01 116.97 121.39 2wxj h TYR 882 Ca 0.10 0.00 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 2wxj h TYR 882 Cb 0.02 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.74 2wxj h TYR 882 CO -0.04 0.54 -0.08 0.00 -1.05 0.00 0.00 178.16 177.53 2wxj h VAL 884 N 0.44 1.31 -0.71 0.00 2.07 -1.25 -2.73 116.25 115.38 2wxj h VAL 884 Ca 0.09 -1.25 -0.07 0.00 0.82 0.00 0.00 66.70 66.29 2wxj h VAL 884 Cb 0.58 1.66 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2wxj h VAL 884 CO 0.03 0.38 0.18 0.00 0.02 0.00 0.00 177.57 178.18 2wxj h ALA 885 N 0.69 0.94 -0.00 1.67 0.00 -0.95 -0.70 119.26 120.91 2wxj h ALA 885 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2wxj h ALA 885 Cb 0.66 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 2wxj h ALA 885 CO 0.04 0.66 -0.50 1.79 0.00 0.00 0.00 179.25 181.24 2wxj h THR 886 N 1.08 1.36 -0.01 0.00 1.35 -1.24 -1.95 112.91 113.50 2wxj h THR 886 Ca 0.22 -1.72 -0.04 0.00 -0.55 0.00 0.00 66.41 64.32 2wxj h THR 886 Cb 0.37 1.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.71 2wxj h THR 886 CO 0.00 0.49 -0.17 0.22 -0.25 0.00 0.00 175.52 175.81 2wxj h TYR 887 N 0.00 0.18 -0.95 4.73 3.20 -1.14 -0.03 116.97 122.98 2wxj h TYR 887 Ca -0.00 -0.09 0.03 0.00 3.14 0.00 0.00 58.73 61.80 2wxj h TYR 887 Cb 0.89 -0.02 -0.05 0.00 1.54 0.00 0.00 36.73 39.08 2wxj h TYR 887 CO 0.00 0.87 0.62 0.28 -1.64 0.00 0.00 178.16 178.29 2wxj h VAL 888 N -0.56 1.19 -0.00 1.81 2.07 -1.11 -2.64 116.25 117.01 2wxj h VAL 888 Ca -0.02 -0.42 0.00 0.00 0.82 0.00 0.00 66.70 67.08 2wxj h VAL 888 Cb 0.91 -0.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.54 2wxj h VAL 888 CO 0.03 0.22 -0.08 0.18 0.02 0.00 0.00 177.57 177.94 2wxj n LEU 889 N -4.46 0.36 -2.62 2.57 4.77 -0.74 -4.70 117.00 112.17 2wxj n LEU 889 Ca 0.12 0.06 -0.14 0.00 -0.03 0.00 0.00 56.01 56.02 2wxj n LEU 889 Cb 0.06 -0.20 0.06 0.00 -2.33 0.00 0.00 43.42 41.01 2wxj n LEU 889 CO 0.35 0.07 0.12 0.61 -1.33 0.00 0.00 177.39 177.21 2wxj n GLY 890 N 1.27 -0.08 3.47 -0.72 0.00 -0.87 0.69 105.19 108.96 2wxj n GLY 890 Ca 0.15 -0.06 -0.36 0.00 0.00 0.00 0.00 46.02 45.74 2wxj n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxj s ILE 891 N -3.23 4.32 0.00 -0.61 1.01 -0.08 -0.94 121.20 121.67 2wxj s ILE 891 Ca 0.21 -0.18 0.00 0.00 0.00 0.00 0.00 60.65 60.68 2wxj s ILE 891 Cb -0.09 -3.00 0.00 0.00 0.01 0.00 0.00 42.46 39.38 2wxj s ILE 891 CO 0.49 0.37 0.00 0.61 0.00 0.00 0.00 174.94 176.42 2wxj n GLY 892 N 4.59 5.58 3.95 6.18 0.00 -1.26 -4.69 105.19 119.54 2wxj n GLY 892 Ca -0.16 -2.05 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 2wxj n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxj n ASP 893 N -0.74 -4.42 -4.76 1.61 2.03 -1.26 -4.80 116.55 104.20 2wxj n ASP 893 Ca 0.00 -0.80 -0.39 0.00 0.52 0.00 0.00 54.79 54.11 2wxj n ASP 893 Cb 0.00 -3.55 -0.04 0.00 -0.72 0.00 0.00 41.12 36.81 2wxj n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxj s ARG 894 N -6.65 4.51 0.09 -0.67 1.81 -1.26 -4.97 118.95 111.81 2wxj s ARG 894 Ca 0.67 1.73 -0.26 0.00 -1.72 0.00 0.00 55.73 56.15 2wxj s ARG 894 Cb -0.34 -3.02 0.08 0.00 -0.45 0.00 0.00 34.95 31.21 2wxj s ARG 894 CO 0.82 0.12 0.90 -3.38 -0.68 0.00 0.00 175.30 173.09 2wxj s HIS 895 N -1.29 -0.24 0.64 -0.53 -3.43 -1.26 -5.05 115.29 104.13 2wxj s HIS 895 Ca 0.48 0.00 0.29 0.00 -0.80 0.00 0.00 55.06 55.03 2wxj s HIS 895 Cb -0.30 0.60 1.54 0.00 -1.43 0.00 0.00 32.58 32.99 2wxj s HIS 895 CO 0.38 -0.73 1.90 0.66 -2.00 0.00 0.00 174.74 174.95 2wxj h SER 896 N 2.00 0.00 0.11 7.38 4.64 -1.95 0.12 113.55 125.85 2wxj h SER 896 Ca -0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 60.91 2wxj h SER 896 Cb 1.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.33 2wxj h SER 896 CO 0.28 0.00 -0.63 0.44 -0.87 0.00 0.00 176.83 176.05 2wxj h ASP 897 N 0.00 0.58 -0.29 4.97 5.19 -1.96 0.11 116.42 125.01 2wxj h ASP 897 Ca 0.07 -0.34 -0.04 0.00 -0.62 0.00 0.00 57.03 56.11 2wxj h ASP 897 Cb 0.86 -0.17 -0.03 0.00 0.18 0.00 0.00 39.33 40.18 2wxj h ASP 897 CO -0.00 1.06 0.00 -0.46 -3.12 0.00 0.00 179.24 176.72 2wxj n ASN 898 N -3.91 3.66 -4.37 6.45 2.04 0.41 -4.87 115.26 114.67 2wxj n ASN 898 Ca -0.04 -3.16 -0.31 0.00 -0.44 0.00 0.00 54.58 50.63 2wxj n ASN 898 Cb 0.65 -0.57 -0.15 0.00 -2.53 0.00 0.00 39.78 37.19 2wxj n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxj s ILE 899 N -2.91 2.34 0.20 1.53 1.01 -1.14 -1.45 121.20 120.77 2wxj s ILE 899 Ca 0.43 -1.17 0.06 0.00 0.00 0.00 0.00 60.65 59.96 2wxj s ILE 899 Cb 0.36 -1.89 -0.05 0.00 0.01 0.00 0.00 42.46 40.89 2wxj s ILE 899 CO 0.07 0.47 -0.09 -0.04 0.00 0.00 0.00 174.94 175.35 2wxj s MET 900 N -0.99 1.25 0.02 2.79 -1.94 0.12 -1.75 119.30 118.81 2wxj s MET 900 Ca 0.12 -1.58 0.03 0.00 -1.71 0.00 0.00 55.69 52.55 2wxj s MET 900 Cb -0.10 -0.84 -0.01 0.00 2.01 0.00 0.00 34.83 35.89 2wxj s MET 900 CO 0.01 0.07 -0.08 0.96 -0.01 0.00 0.00 175.02 175.97 2wxj s ILE 901 N -3.20 0.65 0.46 2.53 -5.25 -0.65 -0.42 121.20 115.32 2wxj s ILE 901 Ca 0.22 -0.63 -0.03 0.00 -0.99 0.00 0.00 60.65 59.22 2wxj s ILE 901 Cb 0.02 -0.60 -0.02 0.00 2.95 0.00 0.00 42.46 44.81 2wxj s ILE 901 CO 0.05 -0.02 0.74 -0.13 -1.79 0.00 0.00 174.94 173.79 2wxj s ARG 902 N -0.72 3.37 0.23 0.37 0.52 0.15 -1.78 118.95 121.09 2wxj s ARG 902 Ca -0.01 -0.04 0.21 0.00 -0.52 0.00 0.00 55.73 55.37 2wxj s ARG 902 Cb -0.06 -2.45 0.93 0.00 0.52 0.00 0.00 34.95 33.90 2wxj s ARG 902 CO 0.00 -0.21 1.64 0.39 0.02 0.00 0.00 175.30 177.15 2wxj n GLU 903 N -2.18 0.15 0.00 3.54 1.02 -0.52 -0.63 120.64 122.03 2wxj n GLU 903 Ca 0.00 0.44 0.13 0.00 -0.02 0.00 0.00 57.16 57.71 2wxj n GLU 903 Cb 0.56 -1.83 0.43 0.00 -0.02 0.00 0.00 31.44 30.58 2wxj n GLU 903 CO 0.00 0.00 0.00 -1.13 1.18 0.00 0.00 177.13 177.18 2wxj n SER 904 N -2.12 0.31 0.00 1.62 3.41 -1.26 -4.73 113.62 110.85 2wxj n SER 904 Ca 0.02 0.01 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 2wxj n SER 904 Cb 0.18 -0.08 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 2wxj n SER 904 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wxj n GLY 905 N 1.48 2.91 3.68 5.00 0.00 0.20 -4.24 105.19 114.21 2wxj n GLY 905 Ca 0.07 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2wxj n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxj s GLN 906 N -0.54 4.16 0.00 1.61 -0.21 -1.25 -3.23 119.66 120.19 2wxj s GLN 906 Ca 0.00 2.50 -0.07 0.00 0.02 0.00 0.00 55.36 57.81 2wxj s GLN 906 Cb 0.00 -3.75 -0.05 0.00 1.00 0.00 0.00 33.01 30.22 2wxj s GLN 906 CO 0.00 -0.84 0.28 -1.17 -2.12 0.00 0.00 175.29 171.44 2wxj s LEU 907 N 3.18 4.38 0.16 2.90 0.20 -1.26 0.32 118.68 128.56 2wxj s LEU 907 Ca 0.80 0.60 -0.15 0.00 0.69 0.00 0.00 54.13 56.08 2wxj s LEU 907 Cb -0.43 -2.64 0.02 0.00 -0.43 0.00 0.00 46.19 42.71 2wxj s LEU 907 CO 0.36 0.27 0.41 0.72 -0.29 0.00 0.00 176.35 177.82 2wxj s PHE 908 N -1.27 -0.00 0.05 5.38 -0.12 0.44 -4.69 117.98 117.77 2wxj s PHE 908 Ca 0.27 -0.34 0.02 0.00 -0.05 0.00 0.00 56.93 56.82 2wxj s PHE 908 Cb -0.13 0.22 -0.04 0.00 -0.63 0.00 0.00 43.02 42.44 2wxj s PHE 908 CO 0.15 -0.79 0.07 -1.01 -0.05 0.00 0.00 175.22 173.59 2wxj s HIS 909 N -3.88 3.20 0.15 3.49 3.76 -1.26 -0.70 115.29 120.05 2wxj s HIS 909 Ca 0.09 0.11 0.04 0.00 -0.15 0.00 0.00 55.06 55.15 2wxj s HIS 909 Cb 0.01 -1.65 -0.04 0.00 1.11 0.00 0.00 32.58 32.00 2wxj s HIS 909 CO -0.05 0.52 -0.08 0.96 -0.85 0.00 0.00 174.74 175.24 2wxj s ILE 910 N -1.31 1.05 -0.67 0.60 -4.36 -0.53 -4.96 121.20 111.02 2wxj s ILE 910 Ca 0.27 -2.04 -0.07 0.00 -0.26 0.00 0.00 60.65 58.55 2wxj s ILE 910 Cb -0.12 -1.89 0.01 0.00 1.25 0.00 0.00 42.46 41.71 2wxj s ILE 910 CO 0.19 -0.71 0.65 -0.67 0.24 0.00 0.00 174.94 174.64 2wxj n ASP 911 N -0.20 -6.95 0.04 4.36 4.64 -1.26 -4.76 116.55 112.42 2wxj n ASP 911 Ca -0.10 -0.16 -0.11 0.00 -1.38 0.00 0.00 54.79 53.04 2wxj n ASP 911 Cb 0.61 -4.16 -0.06 0.00 -1.04 0.00 0.00 41.12 36.47 2wxj n ASP 911 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 2wxj h PHE 912 N 0.76 -0.13 -0.41 -0.67 0.04 -1.95 -3.47 116.94 111.11 2wxj h PHE 912 Ca -0.20 0.01 -0.31 0.00 2.80 0.00 0.00 57.97 60.27 2wxj h PHE 912 Cb 1.13 0.06 -0.30 0.00 2.20 0.00 0.00 35.95 39.04 2wxj h PHE 912 CO 0.17 -0.09 -0.81 0.41 -0.60 0.00 0.00 178.31 177.39 2wxj n GLY 913 N -1.17 4.71 2.95 -1.45 0.00 -1.26 -4.77 105.19 104.20 2wxj n GLY 913 Ca -0.06 -1.83 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 2wxj n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxj s HIS 914 N -3.16 0.29 0.20 1.61 3.76 -1.26 -5.05 115.29 111.68 2wxj s HIS 914 Ca 0.42 -0.26 0.02 0.00 -0.15 0.00 0.00 55.06 55.08 2wxj s HIS 914 Cb 0.38 -0.19 -0.01 0.00 1.11 0.00 0.00 32.58 33.88 2wxj s HIS 914 CO -0.03 -0.07 0.23 1.97 -0.85 0.00 0.00 174.74 175.99 2wxj n PHE 915 N 2.34 -0.76 -2.86 1.40 1.16 -1.26 -4.48 117.46 113.00 2wxj n PHE 915 Ca -0.18 -1.54 -0.18 0.00 -1.87 0.00 0.00 57.45 53.69 2wxj n PHE 915 Cb 0.57 0.25 0.00 0.00 -1.61 0.00 0.00 39.48 38.70 2wxj n PHE 915 CO 0.00 0.00 0.00 1.28 -1.87 0.00 0.00 176.76 176.17 2wxj n LEU 916 N 0.00 -1.56 0.00 5.98 4.77 0.22 -2.67 117.00 123.74 2wxj n LEU 916 Ca 0.02 -0.10 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2wxj n LEU 916 Cb 0.36 -2.30 0.00 0.00 -2.33 0.00 0.00 43.42 39.15 2wxj n LEU 916 CO 0.18 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 176.88 2wxj n GLY 917 N -1.06 1.28 3.50 -0.72 0.00 -0.11 -4.91 105.19 103.17 2wxj n GLY 917 Ca -0.10 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.49 2wxj n GLY 917 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxj s ASN 918 N -3.02 6.22 -0.26 1.61 2.20 -1.09 -4.19 114.94 116.42 2wxj s ASN 918 Ca 0.00 -0.55 -0.14 0.00 -0.94 0.00 0.00 52.86 51.23 2wxj s ASN 918 Cb 0.00 -2.24 -0.14 0.00 -2.00 0.00 0.00 41.25 36.86 2wxj s ASN 918 CO 0.00 -0.60 -0.20 2.22 -2.94 0.00 0.00 177.10 175.58 2wxj n PHE 919 N 5.72 0.26 -1.39 1.54 -1.74 -1.26 -4.19 117.46 116.40 2wxj n PHE 919 Ca -0.06 0.10 -0.53 0.00 -0.56 0.00 0.00 57.45 56.40 2wxj n PHE 919 Cb 0.48 -1.03 -0.09 0.00 1.52 0.00 0.00 39.48 40.36 2wxj n PHE 919 CO 0.00 0.00 0.00 -2.13 -0.56 0.00 0.00 176.76 174.07 2wxj n ARG 929 N -4.20 0.68 -3.38 3.97 3.00 -1.26 -5.11 116.66 110.36 2wxj n ARG 929 Ca -0.49 0.18 -0.38 0.00 -0.00 0.00 0.00 57.85 57.15 2wxj n ARG 929 Cb 0.86 -2.13 -0.08 0.00 0.00 0.00 0.00 32.46 31.10 2wxj n ARG 929 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17 2wxj s VAL 930 N 7.11 5.18 0.70 5.15 0.11 -1.26 -5.07 120.40 132.33 2wxj s VAL 930 Ca 1.14 0.68 -0.15 0.00 -2.93 0.00 0.00 61.98 60.72 2wxj s VAL 930 Cb -1.06 -3.73 0.02 0.00 -1.53 0.00 0.00 36.38 30.08 2wxj s VAL 930 CO 0.54 0.22 1.17 -2.16 -3.33 0.00 0.00 175.10 171.54 2wxj s PRO 931 N 1.58 2.38 0.47 1.54 0.04 -1.26 -4.95 135.00 134.80 2wxj s PRO 931 Ca 0.18 1.64 -0.24 0.00 0.04 0.00 0.00 61.00 62.62 2wxj s PRO 931 Cb -0.15 -1.88 -0.07 0.00 0.04 0.00 0.00 34.50 32.44 2wxj s PRO 931 CO 0.08 -1.62 1.36 0.12 0.04 0.00 0.00 177.00 176.98 2wxj s PHE 932 N -2.09 2.53 -0.17 0.56 5.36 -1.26 -4.93 117.98 117.98 2wxj s PHE 932 Ca 0.72 1.35 0.01 0.00 -0.96 0.00 0.00 56.93 58.05 2wxj s PHE 932 Cb -0.26 -3.79 0.02 0.00 -0.34 0.00 0.00 43.02 38.65 2wxj s PHE 932 CO 0.43 -2.61 -0.19 0.42 -1.46 0.00 0.00 175.22 171.81 2wxj s ILE 933 N -1.27 1.95 -0.31 3.12 -1.09 -1.26 -4.52 121.20 117.82 2wxj s ILE 933 Ca 0.63 -0.87 -0.01 0.00 -2.23 0.00 0.00 60.65 58.17 2wxj s ILE 933 Cb -0.40 -1.77 0.06 0.00 -1.58 0.00 0.00 42.46 38.77 2wxj s ILE 933 CO 0.50 0.52 0.00 -0.76 -1.23 0.00 0.00 174.94 173.98 2wxj s LEU 934 N 1.27 4.01 -0.03 2.97 1.43 -1.26 -4.93 118.68 122.14 2wxj s LEU 934 Ca 0.03 -1.44 -0.30 0.00 -1.03 0.00 0.00 54.13 51.40 2wxj s LEU 934 Cb -0.13 -1.69 -0.03 0.00 0.03 0.00 0.00 46.19 44.37 2wxj s LEU 934 CO -0.11 -0.28 1.10 -0.89 0.23 0.00 0.00 176.35 176.39 2wxj s THR 935 N 1.19 4.49 0.44 5.49 2.01 -1.26 -4.25 115.64 123.75 2wxj s THR 935 Ca -0.03 1.79 0.21 0.00 0.31 0.00 0.00 61.69 63.97 2wxj s THR 935 Cb -0.20 -4.15 0.41 0.00 0.01 0.00 0.00 72.50 68.57 2wxj s THR 935 CO -0.03 0.07 1.84 0.22 -0.69 0.00 0.00 174.62 176.04 2wxj h TYR 936 N 7.05 0.44 -0.19 4.92 3.20 -1.94 -0.57 116.97 129.89 2wxj h TYR 936 Ca -0.37 0.01 -0.07 0.00 3.14 0.00 0.00 58.73 61.44 2wxj h TYR 936 Cb 1.19 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 39.31 2wxj h TYR 936 CO 0.70 0.09 -0.21 -0.44 -1.64 0.00 0.00 178.16 176.66 2wxj h ASP 937 N 0.31 0.32 0.32 -2.11 5.19 -1.95 0.13 116.42 118.64 2wxj h ASP 937 Ca 0.49 -0.09 -0.31 0.00 -0.62 0.00 0.00 57.03 56.50 2wxj h ASP 937 Cb 1.38 -0.09 0.03 0.00 0.18 0.00 0.00 39.33 40.83 2wxj h ASP 937 CO -0.16 0.55 -1.33 -0.26 -3.12 0.00 0.00 179.24 174.92 2wxj h PHE 938 N 0.30 0.85 -0.83 4.55 0.04 -1.52 -3.12 116.94 117.22 2wxj h PHE 938 Ca 0.05 -0.59 0.06 0.00 2.80 0.00 0.00 57.97 60.29 2wxj h PHE 938 Cb 0.55 -0.05 -0.06 0.00 2.20 0.00 0.00 35.95 38.59 2wxj h PHE 938 CO 0.01 1.45 0.51 0.28 -0.60 0.00 0.00 178.31 179.96 2wxj h VAL 939 N 0.17 1.05 -0.64 -0.55 2.07 -1.13 0.14 116.25 117.35 2wxj h VAL 939 Ca -0.20 -0.33 0.02 0.00 0.82 0.00 0.00 66.70 67.02 2wxj h VAL 939 Cb 2.02 0.02 -0.04 0.00 -1.52 0.00 0.00 31.29 31.77 2wxj h VAL 939 CO 0.24 0.17 0.40 -0.74 0.02 0.00 0.00 177.57 177.67 2wxj h HIS 940 N 0.95 0.76 -0.27 1.57 6.17 -1.02 -1.15 115.15 122.16 2wxj h HIS 940 Ca 0.36 0.02 -0.15 0.00 0.71 0.00 0.00 60.37 61.30 2wxj h HIS 940 Cb 0.14 -0.25 -0.00 0.00 2.52 0.00 0.00 27.41 29.82 2wxj h HIS 940 CO -0.04 0.44 -0.43 0.28 0.71 0.00 0.00 177.93 178.90 2wxj h VAL 941 N 0.80 1.30 -0.67 5.26 2.07 -1.34 -1.38 116.25 122.28 2wxj h VAL 941 Ca 0.25 -1.62 0.08 0.00 0.82 0.00 0.00 66.70 66.23 2wxj h VAL 941 Cb -0.01 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 31.39 2wxj h VAL 941 CO -0.09 0.52 0.45 0.40 0.02 0.00 0.00 177.57 178.86 2wxj h ILE 942 N 0.51 0.96 -0.24 4.57 2.04 -0.50 -1.41 117.51 123.44 2wxj h ILE 942 Ca 0.02 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.68 2wxj h ILE 942 Cb 1.02 0.30 0.00 0.00 -0.74 0.00 0.00 36.82 37.41 2wxj h ILE 942 CO 0.10 0.11 0.00 0.00 0.00 0.00 0.00 178.15 178.36 2wxj n GLN 943 N -4.48 2.39 -1.83 2.37 6.02 -0.46 -4.68 117.38 116.71 2wxj n GLN 943 Ca 0.10 -1.22 -0.19 0.00 -0.01 0.00 0.00 57.00 55.69 2wxj n GLN 943 Cb 0.29 -1.69 -0.06 0.00 1.02 0.00 0.00 30.24 29.81 2wxj n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxj n GLN 944 N 0.27 -1.55 -0.67 -1.09 6.02 -0.53 -1.22 117.38 118.62 2wxj n GLN 944 Ca 0.11 1.04 0.00 0.00 -0.01 0.00 0.00 57.00 58.14 2wxj n GLN 944 Cb 0.55 -5.49 0.00 0.00 1.02 0.00 0.00 30.24 26.33 2wxj n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxj n GLY 945 N -0.55 0.73 3.89 1.08 0.00 -0.54 -5.04 105.19 104.76 2wxj n GLY 945 Ca -0.20 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 2wxj n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxj s LYS 946 N -0.33 3.72 0.21 1.61 1.02 -0.35 -5.00 119.74 120.61 2wxj s LYS 946 Ca 0.00 0.11 -0.09 0.00 0.02 0.00 0.00 55.97 56.00 2wxj s LYS 946 Cb 0.00 -2.73 0.15 0.00 -0.52 0.00 0.00 37.83 34.73 2wxj s LYS 946 CO 0.00 0.38 1.83 1.15 -0.92 0.00 0.00 175.35 177.79 2wxj h THR 947 N 2.00 1.23 -3.43 2.17 2.02 -1.95 -3.43 112.91 111.52 2wxj h THR 947 Ca -0.46 -0.56 -0.42 0.00 0.77 0.00 0.00 66.41 65.74 2wxj h THR 947 Cb 1.17 0.21 -0.34 0.00 -1.74 0.00 0.00 68.15 67.44 2wxj h THR 947 CO 0.71 0.25 -0.77 0.20 0.37 0.00 0.00 175.52 176.27 2wxj s ASN 948 N -6.07 1.06 -0.50 4.18 0.01 -1.26 -5.07 114.94 107.29 2wxj s ASN 948 Ca -0.13 -0.13 0.06 0.00 -0.71 0.00 0.00 52.86 51.95 2wxj s ASN 948 Cb 0.15 -0.46 0.22 0.00 0.41 0.00 0.00 41.25 41.57 2wxj s ASN 948 CO 0.80 -0.07 0.83 -3.20 -1.51 0.00 0.00 177.10 173.95 2wxj n ASN 949 N 4.18 -3.09 0.19 -1.22 2.85 -1.26 -5.01 115.26 111.90 2wxj n ASN 949 Ca -0.23 -3.03 0.14 0.00 -0.11 0.00 0.00 54.58 51.35 2wxj n ASN 949 Cb 0.51 1.75 0.41 0.00 1.24 0.00 0.00 39.78 43.68 2wxj n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxj h SER 950 N 4.44 0.00 -0.62 1.20 4.64 -1.98 -1.14 113.55 120.09 2wxj h SER 950 Ca -0.05 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.18 2wxj h SER 950 Cb 1.07 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.14 2wxj h SER 950 CO 0.16 0.00 0.05 -0.08 -0.87 0.00 0.00 176.83 176.09 2wxj h GLU 951 N 0.00 1.07 0.19 4.77 4.81 -1.99 -2.02 114.58 121.42 2wxj h GLU 951 Ca 0.00 -0.31 -0.35 0.00 -0.13 0.00 0.00 59.36 58.57 2wxj h GLU 951 Cb 0.71 -0.11 0.01 0.00 0.63 0.00 0.00 28.75 29.99 2wxj h GLU 951 CO 0.00 1.01 -1.73 0.87 -0.73 0.00 0.00 179.01 178.43 2wxj h LYS 952 N 0.99 0.41 -0.70 1.92 1.79 -1.71 -3.13 116.57 116.15 2wxj h LYS 952 Ca 0.19 -0.69 -0.06 0.00 -2.18 0.00 0.00 60.65 57.91 2wxj h LYS 952 Cb 0.49 0.26 -0.03 0.00 -1.58 0.00 0.00 32.23 31.37 2wxj h LYS 952 CO 0.02 1.33 0.20 0.35 -1.08 0.00 0.00 179.45 180.28 2wxj h PHE 953 N 0.10 1.13 0.00 -1.35 3.57 -1.31 -2.77 116.94 116.31 2wxj h PHE 953 Ca -0.34 -0.12 -0.15 0.00 3.53 0.00 0.00 57.97 60.89 2wxj h PHE 953 Cb 2.10 -0.33 -0.02 0.00 2.79 0.00 0.00 35.95 40.49 2wxj h PHE 953 CO 0.11 0.91 -0.72 0.93 -2.23 0.00 0.00 178.31 177.31 2wxj h GLU 954 N 1.03 0.00 -0.46 1.11 4.39 -1.52 -1.26 114.58 117.87 2wxj h GLU 954 Ca 0.22 0.00 0.01 0.00 0.34 0.00 0.00 59.36 59.93 2wxj h GLU 954 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.95 2wxj h GLU 954 CO -0.00 0.72 0.30 0.00 -1.16 0.00 0.00 179.01 178.87 2wxj h ARG 955 N 0.00 0.58 -0.15 2.33 3.08 -1.48 -1.80 114.38 116.94 2wxj h ARG 955 Ca -0.01 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2wxj h ARG 955 Cb 1.31 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.23 2wxj h ARG 955 CO 0.09 0.38 0.04 0.35 -1.07 0.00 0.00 179.97 179.76 2wxj h PHE 956 N 0.59 0.25 -0.69 3.04 3.57 -1.09 -2.15 116.94 120.47 2wxj h PHE 956 Ca 0.17 -0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.74 2wxj h PHE 956 Cb -0.03 -0.07 -0.07 0.00 2.79 0.00 0.00 35.95 38.57 2wxj h PHE 956 CO -0.00 0.37 0.32 -0.09 -2.23 0.00 0.00 178.31 176.68 2wxj h ARG 957 N 0.05 0.53 -0.25 1.11 2.43 -0.94 -1.97 114.38 115.34 2wxj h ARG 957 Ca 0.05 -0.03 0.04 0.00 -0.81 0.00 0.00 59.98 59.23 2wxj h ARG 957 Cb 0.25 -0.12 -0.04 0.00 -0.42 0.00 0.00 29.97 29.64 2wxj h ARG 957 CO -0.00 0.35 -0.00 0.78 -1.51 0.00 0.00 179.97 179.59 2wxj h GLY 958 N 0.54 0.23 -0.03 2.80 0.00 -1.17 -0.14 103.07 105.31 2wxj h GLY 958 Ca 0.35 0.03 0.08 0.00 0.00 0.00 0.00 47.33 47.78 2wxj h GLY 958 CO -0.29 -0.05 -0.25 -0.97 0.00 0.00 0.00 176.54 174.98 2wxj h TYR 959 N 0.07 -0.67 -0.76 5.60 0.05 -0.70 0.63 116.97 121.19 2wxj h TYR 959 Ca 0.12 0.05 0.06 0.00 0.05 0.00 0.00 58.73 59.01 2wxj h TYR 959 Cb 0.15 0.35 -0.06 0.00 1.01 0.00 0.00 36.73 38.19 2wxj h TYR 959 CO -0.20 -0.33 0.45 0.00 -1.05 0.00 0.00 178.16 177.03 2wxj h GLU 961 N 0.83 0.79 -0.25 0.00 5.08 -0.21 -1.21 114.58 119.60 2wxj h GLU 961 Ca 0.34 -0.33 -0.01 0.00 -1.00 0.00 0.00 59.36 58.36 2wxj h GLU 961 Cb 0.18 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 2wxj h GLU 961 CO -0.18 0.95 0.11 0.00 -1.00 0.00 0.00 179.01 178.90 2wxj h ARG 962 N 0.60 0.37 -0.30 2.33 3.08 -0.71 -1.29 114.38 118.47 2wxj h ARG 962 Ca 0.09 -0.06 0.02 0.00 0.07 0.00 0.00 59.98 60.10 2wxj h ARG 962 Cb 0.69 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.65 2wxj h ARG 962 CO 0.05 0.38 0.15 0.00 -1.07 0.00 0.00 179.97 179.49 2wxj h ALA 963 N 0.97 0.36 -0.52 0.04 0.00 -0.98 -1.00 119.26 118.13 2wxj h ALA 963 Ca 0.09 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2wxj h ALA 963 Cb 0.14 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2wxj h ALA 963 CO -0.01 -0.23 0.05 -0.92 0.00 0.00 0.00 179.25 178.14 2wxj h TYR 964 N 0.32 0.95 -0.02 0.00 3.20 -1.25 -2.74 116.97 117.44 2wxj h TYR 964 Ca 0.12 -0.15 -0.14 0.00 3.14 0.00 0.00 58.73 61.70 2wxj h TYR 964 Cb 0.03 -0.25 -0.02 0.00 1.54 0.00 0.00 36.73 38.03 2wxj h TYR 964 CO -0.09 0.87 -0.65 1.79 -1.64 0.00 0.00 178.16 178.44 2wxj h THR 965 N 0.76 1.44 -0.58 1.81 1.35 -0.88 -2.84 112.91 113.97 2wxj h THR 965 Ca 0.15 -2.16 -0.10 0.00 -0.55 0.00 0.00 66.41 63.76 2wxj h THR 965 Cb 0.46 2.15 -0.02 0.00 -1.73 0.00 0.00 68.15 69.01 2wxj h THR 965 CO 0.02 0.62 -0.02 0.40 -0.25 0.00 0.00 175.52 176.30 2wxj h ILE 966 N 0.06 1.26 -0.67 6.82 2.04 -1.15 -3.14 117.51 122.74 2wxj h ILE 966 Ca -0.01 -1.15 -0.05 0.00 1.00 0.00 0.00 64.86 64.66 2wxj h ILE 966 Cb 1.15 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 38.04 2wxj h ILE 966 CO 0.09 0.41 0.23 -0.07 0.00 0.00 0.00 178.15 178.81 2wxj h LEU 967 N 0.92 0.95 -1.22 1.44 3.38 -1.35 -2.70 115.31 116.73 2wxj h LEU 967 Ca 0.16 -0.20 0.20 0.00 0.09 0.00 0.00 57.88 58.13 2wxj h LEU 967 Cb 0.56 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.97 2wxj h LEU 967 CO 0.03 0.90 0.61 0.03 0.09 0.00 0.00 178.44 180.10 2wxj h ARG 968 N 0.96 0.60 0.00 1.13 3.08 -1.46 -0.22 114.38 118.47 2wxj h ARG 968 Ca 0.22 -0.04 -0.00 0.00 0.07 0.00 0.00 59.98 60.23 2wxj h ARG 968 Cb 0.27 -0.14 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wxj h ARG 968 CO -0.01 0.40 -0.01 0.00 -1.07 0.00 0.00 179.97 179.28 2wxj h ARG 969 N 0.62 0.00 -0.17 0.04 3.08 -1.44 -2.30 114.38 114.22 2wxj h ARG 969 Ca 0.53 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.51 2wxj h ARG 969 Cb 1.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 31.03 2wxj h ARG 969 CO -0.29 0.01 -0.22 0.72 -1.07 0.00 0.00 179.97 179.12 2wxj n HIS 970 N -3.12 0.52 -0.29 3.04 8.25 -0.18 -4.78 115.22 118.67 2wxj n HIS 970 Ca -0.01 -1.42 0.01 0.00 -0.26 0.00 0.00 57.72 56.04 2wxj n HIS 970 Cb 0.23 -0.34 0.14 0.00 1.12 0.00 0.00 29.99 31.14 2wxj n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxj h GLY 971 N 0.94 1.22 1.67 -1.41 0.00 -0.71 -1.61 103.07 103.18 2wxj h GLY 971 Ca 0.09 -0.33 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 2wxj h GLY 971 CO 0.18 0.19 0.15 1.41 0.00 0.00 0.00 176.54 178.46 2wxj h LEU 972 N 0.84 0.39 -0.28 3.11 3.38 -1.86 -2.14 115.31 118.75 2wxj h LEU 972 Ca 0.37 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.29 2wxj h LEU 972 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2wxj h LEU 972 CO -0.21 0.34 0.08 0.25 0.09 0.00 0.00 178.44 178.99 2wxj h LEU 973 N 0.44 0.41 -0.42 1.67 5.85 -1.67 -0.59 115.31 121.00 2wxj h LEU 973 Ca 0.11 -0.22 0.00 0.00 0.84 0.00 0.00 57.88 58.62 2wxj h LEU 973 Cb 0.05 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 2wxj h LEU 973 CO -0.02 0.52 0.27 -0.26 -0.34 0.00 0.00 178.44 178.61 2wxj h PHE 974 N 0.28 0.54 -0.48 1.25 0.04 -1.38 -1.51 116.94 115.68 2wxj h PHE 974 Ca 0.09 0.01 0.04 0.00 2.80 0.00 0.00 57.97 60.90 2wxj h PHE 974 Cb 0.26 -0.18 -0.04 0.00 2.20 0.00 0.00 35.95 38.19 2wxj h PHE 974 CO 0.01 0.36 0.25 -0.07 -0.60 0.00 0.00 178.31 178.26 2wxj h LEU 975 N 0.57 0.38 -0.49 1.54 3.38 -1.25 0.25 115.31 119.68 2wxj h LEU 975 Ca 0.15 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2wxj h LEU 975 Cb -0.04 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.63 2wxj h LEU 975 CO -0.03 0.27 0.15 0.45 0.09 0.00 0.00 178.44 179.36 2wxj h HIS 976 N 0.50 0.79 -0.49 1.13 3.86 -1.00 -0.75 115.15 119.20 2wxj h HIS 976 Ca 0.20 -0.08 -0.03 0.00 -1.16 0.00 0.00 60.37 59.30 2wxj h HIS 976 Cb 0.09 -0.23 -0.02 0.00 1.06 0.00 0.00 27.41 28.31 2wxj h HIS 976 CO -0.09 0.70 0.18 -0.07 0.86 0.00 0.00 177.93 179.51 2wxj h LEU 977 N 0.66 0.68 -1.09 2.43 3.38 -0.87 -2.42 115.31 118.08 2wxj h LEU 977 Ca 0.16 -0.18 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 2wxj h LEU 977 Cb 0.28 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2wxj h LEU 977 CO -0.00 0.68 -0.30 -0.26 0.09 0.00 0.00 178.44 178.65 2wxj h PHE 978 N 0.65 0.31 -0.53 1.13 -1.00 -0.43 -2.42 116.94 114.65 2wxj h PHE 978 Ca 0.16 -0.06 -0.02 0.00 2.81 0.00 0.00 57.97 60.86 2wxj h PHE 978 Cb 0.22 -0.08 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 2wxj h PHE 978 CO 0.01 0.55 0.26 0.00 -1.61 0.00 0.00 178.31 177.51 2wxj h ALA 979 N 1.45 0.68 -0.46 2.45 0.00 -0.78 -2.05 119.26 120.56 2wxj h ALA 979 Ca 0.03 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.73 2wxj h ALA 979 Cb 0.65 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2wxj h ALA 979 CO 0.05 0.25 -0.07 -0.07 0.00 0.00 0.00 179.25 179.40 2wxj h LEU 980 N 0.71 0.78 -2.01 0.00 3.38 -1.36 -2.99 115.31 113.82 2wxj h LEU 980 Ca 0.18 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.91 2wxj h LEU 980 Cb 0.12 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.65 2wxj h LEU 980 CO -0.02 0.89 -0.09 0.24 0.09 0.00 0.00 178.44 179.55 2wxj h MET 981 N 0.73 0.00 -1.67 1.13 2.86 -0.87 -1.32 114.93 115.79 2wxj h MET 981 Ca 0.13 0.00 0.49 0.00 -2.06 0.00 0.00 59.70 58.26 2wxj h MET 981 Cb 0.55 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.14 2wxj h MET 981 CO 0.03 0.09 1.19 0.00 1.06 0.00 0.00 176.91 179.29 2wxj h ARG 982 N 0.00 0.01 0.00 1.72 3.08 -1.28 0.35 114.38 118.26 2wxj h ARG 982 Ca -0.00 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxj h ARG 982 Cb 0.22 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2wxj h ARG 982 CO 0.01 0.01 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2wxj h ALA 983 N 1.18 1.00 0.00 0.04 0.00 -1.44 -3.16 119.26 116.88 2wxj h ALA 983 Ca 0.81 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.72 2wxj h ALA 983 Cb 3.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 20.98 2wxj h ALA 983 CO -0.04 0.00 0.00 0.00 0.00 0.00 0.00 179.25 179.21 2wxj h ALA 984 N 2.06 1.00 -0.20 0.00 0.00 -0.52 -3.47 119.26 118.12 2wxj h ALA 984 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.82 2wxj h ALA 984 Cb 0.10 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 2wxj h ALA 984 CO 0.00 0.00 -0.08 0.41 0.00 0.00 0.00 179.25 179.58 2wxj n GLY 985 N 0.72 0.67 3.67 0.00 0.00 -1.19 -4.99 105.19 104.05 2wxj n GLY 985 Ca 0.04 -0.32 -0.43 0.00 0.00 0.00 0.00 46.02 45.30 2wxj n GLY 985 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxj n LEU 986 N -0.49 3.99 -0.03 0.99 4.32 -1.26 -4.89 117.00 119.64 2wxj n LEU 986 Ca -0.04 0.93 0.16 0.00 -0.02 0.00 0.00 56.01 57.04 2wxj n LEU 986 Cb 0.24 -1.50 0.60 0.00 -1.62 0.00 0.00 43.42 41.15 2wxj n LEU 986 CO 0.07 0.14 1.18 -0.65 -1.22 0.00 0.00 177.39 176.90 2wxj h PRO 987 N 9.86 0.18 -0.15 3.23 0.11 -2.00 0.16 132.00 143.38 2wxj h PRO 987 Ca -0.49 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.61 2wxj h PRO 987 Cb 1.24 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2wxj h PRO 987 CO 0.94 0.12 0.00 0.39 -0.21 0.00 0.00 178.00 179.24 2wxj n GLU 988 N -4.43 1.45 -3.04 1.05 1.02 -1.26 -4.39 120.64 111.03 2wxj n GLU 988 Ca 0.09 -0.68 -0.16 0.00 -0.02 0.00 0.00 57.16 56.39 2wxj n GLU 988 Cb 0.48 -1.25 -0.03 0.00 -0.02 0.00 0.00 31.44 30.62 2wxj n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxj n LEU 989 N -0.02 -1.69 0.00 -4.62 7.94 0.04 -4.91 117.00 113.74 2wxj n LEU 989 Ca 0.11 -3.81 0.00 0.00 -1.11 0.00 0.00 56.01 51.20 2wxj n LEU 989 Cb 0.19 0.69 0.00 0.00 0.53 0.00 0.00 43.42 44.83 2wxj n LEU 989 CO 0.08 1.95 -0.05 -1.54 -1.11 0.00 0.00 177.39 176.72 2wxj n SER 990 N 2.35 0.43 -1.62 1.96 3.41 -1.25 -4.34 113.62 114.55 2wxj n SER 990 Ca 0.21 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.82 2wxj n SER 990 Cb 0.54 0.02 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 2wxj n SER 990 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2wxj h SER 992 N 0.00 0.00 0.05 0.00 0.02 -2.00 -3.29 113.55 108.33 2wxj h SER 992 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wxj h SER 992 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wxj h SER 992 CO 0.00 0.87 0.00 0.11 -1.14 0.00 0.00 176.83 176.67 2wxj h LYS 993 N 0.00 0.00 0.09 3.45 1.57 -1.98 1.00 116.57 120.70 2wxj h LYS 993 Ca -0.22 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.40 2wxj h LYS 993 Cb 1.86 0.00 0.02 0.00 0.08 0.00 0.00 32.23 34.19 2wxj h LYS 993 CO 0.07 0.00 -0.69 -0.44 -0.57 0.00 0.00 179.45 177.83 2wxj h ASP 994 N 0.00 0.45 -0.75 0.86 3.32 -1.92 -3.00 116.42 115.38 2wxj h ASP 994 Ca 0.00 -0.89 -0.05 0.00 0.02 0.00 0.00 57.03 56.10 2wxj h ASP 994 Cb 0.02 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 2wxj h ASP 994 CO 0.00 1.30 0.26 0.40 -1.72 0.00 0.00 179.24 179.48 2wxj h ILE 995 N -0.33 1.26 -0.62 0.35 1.08 -1.41 -2.63 117.51 115.21 2wxj h ILE 995 Ca -0.11 -0.88 0.08 0.00 -0.39 0.00 0.00 64.86 63.55 2wxj h ILE 995 Cb 1.49 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 35.61 2wxj h ILE 995 CO 0.13 0.35 0.41 -0.61 -0.69 0.00 0.00 178.15 177.74 2wxj h GLN 996 N 1.11 0.52 -0.51 2.37 5.75 -0.94 -1.79 115.11 121.63 2wxj h GLN 996 Ca 0.25 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.77 2wxj h GLN 996 Cb 0.28 -0.12 -0.05 0.00 1.07 0.00 0.00 27.48 28.66 2wxj h GLN 996 CO -0.01 0.35 0.23 -0.92 -2.65 0.00 0.00 178.83 175.83 2wxj h TYR 997 N 0.54 0.42 -0.43 3.99 3.20 -1.32 0.23 116.97 123.60 2wxj h TYR 997 Ca 0.27 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.08 2wxj h TYR 997 Cb 0.38 -0.11 -0.02 0.00 1.54 0.00 0.00 36.73 38.52 2wxj h TYR 997 CO -0.00 0.18 -0.07 -0.07 -1.64 0.00 0.00 178.16 176.56 2wxj h LEU 998 N 0.45 0.72 -0.57 2.82 3.38 -1.43 -1.21 115.31 119.48 2wxj h LEU 998 Ca 0.23 -0.19 0.07 0.00 0.09 0.00 0.00 57.88 58.08 2wxj h LEU 998 Cb 0.19 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 2wxj h LEU 998 CO -0.19 0.83 0.25 0.11 0.09 0.00 0.00 178.44 179.53 2wxj h LYS 999 N 0.68 0.46 -0.23 1.13 1.57 -0.64 -1.54 116.57 118.00 2wxj h LYS 999 Ca 0.12 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.69 2wxj h LYS 999 Cb 0.52 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.73 2wxj h LYS 999 CO 0.03 0.31 -0.60 -0.44 -0.57 0.00 0.00 179.45 178.17 2wxj h ASP 1000N 0.48 0.88 0.14 0.86 3.32 -0.71 -2.25 116.42 119.13 2wxj h ASP 1000Ca 0.27 -0.49 -0.14 0.00 0.02 0.00 0.00 57.03 56.68 2wxj h ASP 1000Cb 0.25 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2wxj h ASP 1000CO -0.23 1.27 -0.52 0.77 -1.72 0.00 0.00 179.24 178.82 2wxj h SER 1001N 0.58 0.46 -0.11 6.45 4.64 -1.05 -2.83 113.55 121.69 2wxj h SER 1001Ca -0.00 -0.24 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 2wxj h SER 1001Cb 1.20 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.16 2wxj h SER 1001CO 0.13 0.90 0.00 0.18 -0.87 0.00 0.00 176.83 177.16 2wxj n LEU 1002N -3.96 1.75 -4.03 5.97 4.77 -0.59 -4.90 117.00 116.01 2wxj n LEU 1002Ca -0.02 -0.67 -0.28 0.00 -0.03 0.00 0.00 56.01 55.01 2wxj n LEU 1002Cb 0.57 -0.06 -0.08 0.00 -2.33 0.00 0.00 43.42 41.52 2wxj n LEU 1002CO 0.45 0.33 -0.35 0.00 -1.33 0.00 0.00 177.39 176.50 2wxj n ALA 1003N 0.37 -1.67 0.25 -1.18 0.00 -0.85 -4.79 120.51 112.64 2wxj n ALA 1003Ca 0.17 -0.31 0.10 0.00 0.00 0.00 0.00 53.44 53.40 2wxj n ALA 1003Cb 0.37 -0.96 0.66 0.00 0.00 0.00 0.00 19.45 19.52 2wxj n ALA 1003CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2wxj h LEU 1004N -1.21 0.00 0.00 0.00 -0.00 -1.87 -1.68 115.31 110.55 2wxj h LEU 1004Ca -0.54 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.34 2wxj h LEU 1004Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.83 2wxj h LEU 1004CO 0.63 0.11 0.00 0.61 -0.00 0.00 0.00 178.44 179.79 2wxj n GLY 1005N -1.04 -1.00 3.76 0.83 0.00 -1.26 -4.84 105.19 101.63 2wxj n GLY 1005Ca -0.02 -0.04 -0.23 0.00 0.00 0.00 0.00 46.02 45.73 2wxj n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxj s LYS 1006N -2.00 2.46 0.76 1.61 1.02 -0.63 -5.12 119.74 117.83 2wxj s LYS 1006Ca 0.08 -1.46 -0.11 0.00 0.02 0.00 0.00 55.97 54.50 2wxj s LYS 1006Cb 0.04 -2.25 0.04 0.00 -0.52 0.00 0.00 37.83 35.14 2wxj s LYS 1006CO 0.06 0.14 1.08 0.95 -0.92 0.00 0.00 175.35 176.66 2wxj s THR 1007N -2.38 3.52 0.33 2.17 -4.23 -1.26 -4.84 115.64 108.96 2wxj s THR 1007Ca 0.38 0.49 0.06 0.00 -1.18 0.00 0.00 61.69 61.44 2wxj s THR 1007Cb -0.04 -3.16 0.12 0.00 1.34 0.00 0.00 72.50 70.76 2wxj s THR 1007CO 0.23 -0.65 1.83 -0.08 -0.54 0.00 0.00 174.62 175.41 2wxj h GLU 1008N -0.97 0.38 -0.53 3.99 4.81 -1.98 -0.70 114.58 119.58 2wxj h GLU 1008Ca -0.45 -0.11 -0.08 0.00 -0.13 0.00 0.00 59.36 58.59 2wxj h GLU 1008Cb 1.24 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.56 2wxj h GLU 1008CO 0.56 0.54 0.01 1.49 -0.73 0.00 0.00 179.01 180.88 2wxj h GLU 1009N 0.35 0.93 0.96 1.92 4.57 -1.99 -1.89 114.58 119.43 2wxj h GLU 1009Ca 0.06 -0.29 -0.05 0.00 -1.18 0.00 0.00 59.36 57.90 2wxj h GLU 1009Cb 0.50 -0.09 0.01 0.00 -0.16 0.00 0.00 28.75 29.01 2wxj h GLU 1009CO 0.03 0.94 -0.46 1.49 -1.18 0.00 0.00 179.01 179.83 2wxj h GLU 1010N 0.81 -1.24 -0.73 1.92 4.81 -1.81 -2.19 114.58 116.15 2wxj h GLU 1010Ca 0.15 0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.52 2wxj h GLU 1010Cb 0.52 0.28 -0.05 0.00 0.63 0.00 0.00 28.75 30.13 2wxj h GLU 1010CO 0.03 -0.83 0.44 0.00 -0.73 0.00 0.00 179.01 177.91 2wxj h ALA 1011N -1.38 0.98 -0.44 2.92 0.00 -1.20 -1.86 119.26 118.28 2wxj h ALA 1011Ca -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.78 2wxj h ALA 1011Cb 0.99 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 2wxj h ALA 1011CO 0.22 0.16 0.27 1.25 0.00 0.00 0.00 179.25 181.15 2wxj h LEU 1012N 0.81 0.52 -0.21 0.00 5.85 -1.32 0.29 115.31 121.26 2wxj h LEU 1012Ca 0.32 -0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.94 2wxj h LEU 1012Cb 0.14 -0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 2wxj h LEU 1012CO -0.16 0.39 -0.16 0.07 -0.34 0.00 0.00 178.44 178.24 2wxj h LYS 1013N 0.60 0.47 -0.28 1.25 2.10 -0.74 -1.85 116.57 118.13 2wxj h LYS 1013Ca 0.16 -0.23 0.06 0.00 -2.00 0.00 0.00 60.65 58.64 2wxj h LYS 1013Cb -0.04 -0.00 -0.06 0.00 -0.90 0.00 0.00 32.23 31.24 2wxj h LYS 1013CO -0.03 0.79 -0.10 1.25 -2.00 0.00 0.00 179.45 179.36 2wxj h HIS 1014N 0.16 -0.23 -0.65 0.07 2.76 -0.65 -0.90 115.15 115.71 2wxj h HIS 1014Ca 0.04 0.03 -0.00 0.00 -2.20 0.00 0.00 60.37 58.23 2wxj h HIS 1014Cb 0.68 0.14 -0.03 0.00 1.55 0.00 0.00 27.41 29.76 2wxj h HIS 1014CO 0.07 -0.16 0.39 0.35 -1.30 0.00 0.00 177.93 177.28 2wxj h PHE 1015N -0.04 0.85 -0.16 5.26 3.57 -0.44 -2.02 116.94 123.96 2wxj h PHE 1015Ca 0.14 0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.58 2wxj h PHE 1015Cb 0.26 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.70 2wxj h PHE 1015CO -0.29 0.57 -0.16 0.00 -2.23 0.00 0.00 178.31 176.20 2wxj h ARG 1016N 0.90 0.26 -0.22 1.11 3.08 -0.32 0.46 114.38 119.65 2wxj h ARG 1016Ca 0.23 -0.07 -0.06 0.00 0.07 0.00 0.00 59.98 60.15 2wxj h ARG 1016Cb -0.03 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.99 2wxj h ARG 1016CO -0.04 0.43 -0.11 0.28 -1.07 0.00 0.00 179.97 179.45 2wxj h VAL 1017N 0.24 1.31 -0.64 2.04 2.07 -0.58 -1.89 116.25 118.80 2wxj h VAL 1017Ca 0.05 -1.19 0.06 0.00 0.82 0.00 0.00 66.70 66.44 2wxj h VAL 1017Cb 0.44 1.62 -0.06 0.00 -1.52 0.00 0.00 31.29 31.77 2wxj h VAL 1017CO 0.03 0.36 0.34 0.11 0.02 0.00 0.00 177.57 178.43 2wxj h LYS 1018N 0.16 0.60 -0.22 1.57 1.79 -0.86 -0.27 116.57 119.34 2wxj h LYS 1018Ca 0.05 -0.04 -0.05 0.00 -2.18 0.00 0.00 60.65 58.43 2wxj h LYS 1018Cb 0.61 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 31.12 2wxj h LYS 1018CO 0.03 0.40 -0.05 0.35 -1.08 0.00 0.00 179.45 179.10 2wxj h PHE 1019N 0.62 0.48 -0.82 -1.35 3.57 -0.90 -1.87 116.94 116.66 2wxj h PHE 1019Ca 0.29 -0.10 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 2wxj h PHE 1019Cb 0.22 -0.12 -0.04 0.00 2.79 0.00 0.00 35.95 38.80 2wxj h PHE 1019CO -0.09 0.66 0.39 -0.91 -2.23 0.00 0.00 178.31 176.13 2wxj h ASN 1020N 0.16 1.08 -1.00 0.41 2.35 -1.12 -1.45 115.58 116.02 2wxj h ASN 1020Ca 0.06 -0.13 0.05 0.00 -0.55 0.00 0.00 56.30 55.73 2wxj h ASN 1020Cb 0.50 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.53 2wxj h ASN 1020CO 0.02 0.91 0.65 -0.33 -1.65 0.00 0.00 177.43 177.03 2wxj h GLU 1021N 1.17 1.18 -0.44 0.81 5.08 -0.97 -2.01 114.58 119.42 2wxj h GLU 1021Ca 0.28 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.51 2wxj h GLU 1021Cb 0.12 -0.27 -0.02 0.00 0.50 0.00 0.00 28.75 29.08 2wxj h GLU 1021CO -0.04 0.78 0.00 0.00 -1.00 0.00 0.00 179.01 178.76 2wxj h ALA 1022N 1.43 1.18 -0.53 3.43 0.00 -0.47 -2.54 119.26 121.76 2wxj h ALA 1022Ca 0.41 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 2wxj h ALA 1022Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 2wxj h ALA 1022CO -0.15 0.54 0.01 1.25 0.00 0.00 0.00 179.25 180.89 2wxj h LEU 1023N 0.67 0.91 -0.57 0.00 5.85 -0.58 -1.37 115.31 120.22 2wxj h LEU 1023Ca 0.14 -0.30 -0.01 0.00 0.84 0.00 0.00 57.88 58.54 2wxj h LEU 1023Cb 0.41 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.17 2wxj h LEU 1023CO 0.02 1.00 0.30 0.03 -0.34 0.00 0.00 178.44 179.45 2wxj h ARG 1024N 0.81 0.81 0.00 1.25 3.08 -1.40 -2.51 114.38 116.41 2wxj h ARG 1024Ca 0.15 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.08 2wxj h ARG 1024Cb 0.52 -0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 2wxj h ARG 1024CO 0.03 0.63 -0.11 1.49 -1.07 0.00 0.00 179.97 180.93 2wxj h GLU 1025N 0.77 0.00 -6.23 0.04 4.57 -1.15 -3.38 114.58 109.20 2wxj h GLU 1025Ca 0.20 0.00 -0.53 0.00 -1.18 0.00 0.00 59.36 57.85 2wxj h GLU 1025Cb 0.07 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.60 2wxj h GLU 1025CO -0.03 0.11 1.19 0.45 -1.18 0.00 0.00 179.01 179.55 2wxj s SER 1026N -6.46 5.81 0.00 1.04 0.15 -0.54 -5.00 113.70 108.70 2wxj s SER 1026Ca -0.04 0.10 0.00 0.00 0.70 0.00 0.00 55.95 56.71 2wxj s SER 1026Cb 0.14 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.91 2wxj s SER 1026CO 0.62 -2.00 0.00 0.79 1.20 0.00 0.00 173.24 173.84