#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wxr h LYS 110 N 0.00 0.00 0.69 5.55 1.63 -2.05 -0.83 116.57 121.55 2wxr h LYS 110 Ca 0.00 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 59.77 2wxr h LYS 110 Cb 0.00 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 31.64 2wxr h LYS 110 CO 0.00 0.06 -0.33 -0.22 -3.45 0.00 0.00 179.45 175.51 2wxr h LYS 111 N 0.00 -0.89 -0.61 1.90 1.63 -2.05 -2.86 116.57 113.68 2wxr h LYS 111 Ca -0.00 0.06 0.12 0.00 -0.85 0.00 0.00 60.65 59.98 2wxr h LYS 111 Cb 0.13 0.20 -0.09 0.00 -0.60 0.00 0.00 32.23 31.87 2wxr h LYS 111 CO 0.01 -0.57 0.09 -0.07 -3.45 0.00 0.00 179.45 175.45 2wxr h LEU 112 N -0.99 -0.09 0.30 5.20 3.38 -1.66 -1.47 115.31 119.99 2wxr h LEU 112 Ca -0.09 0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2wxr h LEU 112 Cb 0.73 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 2wxr h LEU 112 CO 0.15 -0.04 -0.18 0.40 0.09 0.00 0.00 178.44 178.87 2wxr h ILE 113 N 0.21 0.62 -0.68 1.22 2.04 -1.30 -0.86 117.51 118.77 2wxr h ILE 113 Ca 0.32 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.26 2wxr h ILE 113 Cb 0.50 0.62 -0.07 0.00 -0.74 0.00 0.00 36.82 37.14 2wxr h ILE 113 CO -0.45 0.00 0.34 0.78 0.00 0.00 0.00 178.15 178.82 2wxr h ASN 114 N -0.46 0.46 -0.20 1.72 2.35 -1.25 0.98 115.58 119.18 2wxr h ASN 114 Ca -0.03 0.05 -0.07 0.00 -0.55 0.00 0.00 56.30 55.70 2wxr h ASN 114 Cb 0.38 -0.03 -0.02 0.00 0.05 0.00 0.00 38.32 38.70 2wxr h ASN 114 CO 0.04 0.28 -0.08 0.77 -1.65 0.00 0.00 177.43 176.78 2wxr h SER 115 N 0.60 0.52 -0.11 5.81 4.64 -1.02 -1.27 113.55 122.72 2wxr h SER 115 Ca 0.32 -0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 2wxr h SER 115 Cb 0.31 -0.14 0.01 0.00 -0.31 0.00 0.00 62.40 62.26 2wxr h SER 115 CO -0.24 0.65 -0.72 1.56 -0.87 0.00 0.00 176.83 177.21 2wxr h GLN 116 N 0.51 0.75 0.24 4.77 4.20 -0.11 -1.92 115.11 123.55 2wxr h GLN 116 Ca 0.10 -0.58 0.01 0.00 0.06 0.00 0.00 58.65 58.24 2wxr h GLN 116 Cb 0.46 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.32 2wxr h GLN 116 CO 0.02 1.19 -0.31 0.82 -0.67 0.00 0.00 178.83 179.89 2wxr h ILE 117 N 0.53 0.34 -0.75 2.54 2.04 -0.51 0.89 117.51 122.59 2wxr h ILE 117 Ca -0.03 0.00 0.17 0.00 1.00 0.00 0.00 64.86 65.99 2wxr h ILE 117 Cb 1.34 0.34 -0.11 0.00 -0.74 0.00 0.00 36.82 37.64 2wxr h ILE 117 CO 0.15 0.00 0.19 0.28 0.00 0.00 0.00 178.15 178.77 2wxr h SER 118 N -0.61 0.02 -0.19 1.72 0.02 -1.20 1.00 113.55 114.30 2wxr h SER 118 Ca 0.00 0.15 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2wxr h SER 118 Cb 0.59 0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.32 2wxr h SER 118 CO -0.11 -0.04 0.13 0.25 -1.14 0.00 0.00 176.83 175.92 2wxr h LEU 119 N 0.27 0.22 -0.10 5.07 5.85 -0.83 -2.62 115.31 123.17 2wxr h LEU 119 Ca 0.43 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 59.13 2wxr h LEU 119 Cb 0.75 -0.06 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 2wxr h LEU 119 CO -0.52 0.16 0.01 0.25 -0.34 0.00 0.00 178.44 178.00 2wxr h LEU 120 N 0.26 0.17 -0.26 2.25 5.85 0.16 -3.14 115.31 120.59 2wxr h LEU 120 Ca 0.07 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.52 2wxr h LEU 120 Cb -0.03 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 40.96 2wxr h LEU 120 CO -0.02 0.39 -0.02 2.30 -0.34 0.00 0.00 178.44 180.76 2wxr n ILE 121 N -4.84 0.00 -1.38 4.05 -5.35 -0.33 -4.90 119.36 106.61 2wxr n ILE 121 Ca -0.06 -0.07 -0.10 0.00 -0.27 0.00 0.00 62.75 62.25 2wxr n ILE 121 Cb 0.17 -0.20 -0.04 0.00 -1.74 0.00 0.00 39.64 37.84 2wxr n ILE 121 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wxr n GLY 122 N 1.11 1.05 3.38 3.28 0.00 -1.01 -4.96 105.19 108.04 2wxr n GLY 122 Ca 0.20 -0.56 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 2wxr n GLY 122 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wxr s LYS 123 N -3.02 0.57 0.03 1.61 2.20 -1.05 -5.06 119.74 115.03 2wxr s LYS 123 Ca 0.00 0.66 -0.28 0.00 -0.36 0.00 0.00 55.97 55.99 2wxr s LYS 123 Cb 0.00 0.28 -0.04 0.00 -1.51 0.00 0.00 37.83 36.55 2wxr s LYS 123 CO 0.00 -0.07 0.87 0.20 -0.36 0.00 0.00 175.35 175.99 2wxr s GLY 124 N 0.22 2.86 0.57 5.54 0.00 -1.26 -4.27 107.32 110.97 2wxr s GLY 124 Ca -0.00 0.42 0.27 0.00 0.00 0.00 0.00 44.72 45.40 2wxr s GLY 124 CO 0.01 1.40 2.03 1.41 0.00 0.00 0.00 173.10 177.95 2wxr h LEU 125 N 6.21 0.00 -1.90 0.66 3.38 -1.92 -0.53 115.31 121.21 2wxr h LEU 125 Ca -0.42 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.53 2wxr h LEU 125 Cb 1.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.96 2wxr h LEU 125 CO 0.73 0.00 -0.11 1.12 0.09 0.00 0.00 178.44 180.27 2wxr h HIS 126 N 0.00 0.00 0.00 1.13 2.07 -1.99 -0.73 115.15 115.63 2wxr h HIS 126 Ca 0.15 0.00 -0.07 0.00 -2.85 0.00 0.00 60.37 57.60 2wxr h HIS 126 Cb 0.74 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.71 2wxr h HIS 126 CO 0.00 0.11 -0.35 0.93 -3.07 0.00 0.00 177.93 175.55 2wxr h GLU 127 N 0.00 0.00 0.11 5.12 5.08 -1.48 -2.23 114.58 121.18 2wxr h GLU 127 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2wxr h GLU 127 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2wxr h GLU 127 CO 0.01 0.35 -0.05 0.74 -1.00 0.00 0.00 179.01 179.06 2wxr h PHE 128 N 0.00 -0.14 0.13 4.33 0.04 -1.26 -3.31 116.94 116.72 2wxr h PHE 128 Ca -0.00 -0.00 0.02 0.00 2.80 0.00 0.00 57.97 60.78 2wxr h PHE 128 Cb 0.74 0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.89 2wxr h PHE 128 CO 0.00 0.21 -0.37 -0.44 -0.60 0.00 0.00 178.31 177.12 2wxr h ASP 129 N -0.52 -1.06 -1.20 2.17 3.32 -1.55 -2.36 116.42 115.22 2wxr h ASP 129 Ca -0.02 0.12 0.35 0.00 0.02 0.00 0.00 57.03 57.50 2wxr h ASP 129 Cb 0.42 0.40 -0.05 0.00 0.22 0.00 0.00 39.33 40.32 2wxr h ASP 129 CO 0.03 -0.45 1.15 0.28 -1.72 0.00 0.00 179.24 178.53 2wxr h SER 130 N -0.60 0.00 0.68 6.45 0.02 -1.52 0.66 113.55 119.24 2wxr h SER 130 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2wxr h SER 130 Cb 0.63 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.17 2wxr h SER 130 CO -0.21 0.00 0.00 0.18 -1.14 0.00 0.00 176.83 175.66 2wxr n LEU 131 N -3.53 0.38 -4.01 5.07 4.77 -0.89 -4.93 117.00 113.86 2wxr n LEU 131 Ca 0.27 0.59 -0.35 0.00 -0.03 0.00 0.00 56.01 56.48 2wxr n LEU 131 Cb 1.52 -0.53 -0.01 0.00 -2.33 0.00 0.00 43.42 42.07 2wxr n LEU 131 CO 0.30 -0.40 -0.20 0.54 -1.33 0.00 0.00 177.39 176.30 2wxr n ARG 132 N -1.92 -0.51 -4.06 3.23 5.12 0.23 -4.92 116.66 113.83 2wxr n ARG 132 Ca 0.03 -0.03 -0.33 0.00 -1.93 0.00 0.00 57.85 55.59 2wxr n ARG 132 Cb 0.22 -2.07 -0.15 0.00 -1.16 0.00 0.00 32.46 29.30 2wxr n ARG 132 CO 0.00 0.00 0.00 0.34 -1.93 0.00 0.00 177.63 176.04 2wxr s ASP 133 N -3.89 3.80 0.23 0.55 -1.08 -1.26 -5.02 116.67 110.00 2wxr s ASP 133 Ca 0.30 -0.89 -0.07 0.00 -0.52 0.00 0.00 52.55 51.37 2wxr s ASP 133 Cb -0.17 -1.55 0.40 0.00 -1.46 0.00 0.00 42.92 40.14 2wxr s ASP 133 CO 0.80 -0.08 1.68 -0.65 0.52 0.00 0.00 175.17 177.43 2wxr h PRO 134 N 7.92 0.21 0.65 4.34 0.11 -1.98 -0.58 132.00 142.67 2wxr h PRO 134 Ca -0.36 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.71 2wxr h PRO 134 Cb 1.11 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2wxr h PRO 134 CO 0.58 0.14 -0.47 1.49 -0.21 0.00 0.00 178.00 179.52 2wxr h GLU 135 N 0.22 -1.04 -0.55 1.05 4.81 -1.99 0.97 114.58 118.04 2wxr h GLU 135 Ca 0.38 0.07 0.10 0.00 -0.13 0.00 0.00 59.36 59.79 2wxr h GLU 135 Cb 0.64 0.24 -0.11 0.00 0.63 0.00 0.00 28.75 30.15 2wxr h GLU 135 CO -0.52 -0.69 -0.32 0.28 -0.73 0.00 0.00 179.01 177.03 2wxr h VAL 136 N -1.08 0.19 -0.73 0.32 2.07 -1.95 0.02 116.25 115.10 2wxr h VAL 136 Ca -0.09 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.59 2wxr h VAL 136 Cb 0.88 0.19 -0.14 0.00 -1.52 0.00 0.00 31.29 30.71 2wxr h VAL 136 CO 0.04 0.00 -0.14 0.78 0.02 0.00 0.00 177.57 178.28 2wxr h ASN 137 N -0.17 -0.60 -0.01 0.57 4.21 -0.55 0.42 115.58 119.45 2wxr h ASN 137 Ca 0.22 0.21 -0.04 0.00 1.21 0.00 0.00 56.30 57.91 2wxr h ASN 137 Cb 0.54 0.43 0.00 0.00 -1.12 0.00 0.00 38.32 38.17 2wxr h ASN 137 CO -0.65 -0.23 -0.14 0.44 -1.29 0.00 0.00 177.43 175.56 2wxr h ASP 138 N 0.02 0.14 -0.63 5.81 3.32 -0.21 -0.15 116.42 124.72 2wxr h ASP 138 Ca 0.37 -0.75 0.13 0.00 0.02 0.00 0.00 57.03 56.79 2wxr h ASP 138 Cb 0.58 -0.04 -0.12 0.00 0.22 0.00 0.00 39.33 39.97 2wxr h ASP 138 CO -0.73 0.87 -0.17 0.15 -1.72 0.00 0.00 179.24 177.64 2wxr h PHE 139 N -0.58 -0.37 -0.84 4.55 3.57 -0.76 0.36 116.94 122.87 2wxr h PHE 139 Ca -0.02 0.06 -0.03 0.00 3.53 0.00 0.00 57.97 61.51 2wxr h PHE 139 Cb 0.88 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.85 2wxr h PHE 139 CO 0.18 -0.28 0.41 0.00 -2.23 0.00 0.00 178.31 176.39 2wxr h ARG 140 N -0.01 1.21 0.18 1.11 3.08 -0.05 -1.94 114.38 117.95 2wxr h ARG 140 Ca 0.30 -0.17 -0.26 0.00 0.07 0.00 0.00 59.98 59.92 2wxr h ARG 140 Cb 0.47 -0.22 0.03 0.00 0.08 0.00 0.00 29.97 30.33 2wxr h ARG 140 CO -0.66 0.92 -1.12 1.79 -1.07 0.00 0.00 179.97 179.84 2wxr h THR 141 N 1.20 1.39 0.01 2.04 1.35 0.17 -2.64 112.91 116.42 2wxr h THR 141 Ca 0.29 -2.57 -0.00 0.00 -0.55 0.00 0.00 66.41 63.58 2wxr h THR 141 Cb 0.11 3.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 2wxr h THR 141 CO -0.04 0.75 -0.00 0.50 -0.25 0.00 0.00 175.52 176.48 2wxr h LYS 142 N -0.08 -0.01 -0.19 4.72 3.64 -0.39 -2.76 116.57 121.50 2wxr h LYS 142 Ca -0.19 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.14 2wxr h LYS 142 Cb 1.87 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 33.68 2wxr h LYS 142 CO 0.21 0.35 -0.12 0.52 -2.27 0.00 0.00 179.45 178.14 2wxr h MET 143 N -0.37 0.31 -0.32 1.90 2.86 -1.50 -0.85 114.93 116.96 2wxr h MET 143 Ca -0.00 -0.07 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 2wxr h MET 143 Cb 0.36 -0.04 -0.03 0.00 0.06 0.00 0.00 31.60 31.95 2wxr h MET 143 CO 0.00 0.44 0.15 -0.09 1.06 0.00 0.00 176.91 178.47 2wxr h ARG 144 N 0.29 0.31 -0.29 1.72 2.43 -1.44 -1.01 114.38 116.38 2wxr h ARG 144 Ca 0.06 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.20 2wxr h ARG 144 Cb 0.40 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 29.87 2wxr h ARG 144 CO 0.02 0.20 0.14 0.37 -1.51 0.00 0.00 179.97 179.20 2wxr h GLN 145 N 0.32 0.42 0.23 0.20 4.15 -1.12 -0.05 115.11 119.25 2wxr h GLN 145 Ca 0.14 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.50 2wxr h GLN 145 Cb 0.06 -0.08 -0.02 0.00 0.21 0.00 0.00 27.48 27.66 2wxr h GLN 145 CO -0.11 0.39 -0.26 0.35 -1.93 0.00 0.00 178.83 177.28 2wxr h PHE 146 N 0.34 -0.68 -0.50 3.99 3.57 -1.02 -2.27 116.94 120.37 2wxr h PHE 146 Ca 0.10 0.01 -0.00 0.00 3.53 0.00 0.00 57.97 61.60 2wxr h PHE 146 Cb 0.11 0.27 -0.02 0.00 2.79 0.00 0.00 35.95 39.10 2wxr h PHE 146 CO -0.02 -0.37 0.29 0.00 -2.23 0.00 0.00 178.31 175.98 2wxr h GLU 148 N 0.68 0.93 -0.19 0.00 5.08 -0.69 -2.57 114.58 117.83 2wxr h GLU 148 Ca 0.18 -0.22 -0.18 0.00 -1.00 0.00 0.00 59.36 58.14 2wxr h GLU 148 Cb -0.01 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.11 2wxr h GLU 148 CO -0.03 0.85 -0.61 0.93 -1.00 0.00 0.00 179.01 179.15 2wxr h GLU 149 N 0.88 0.64 -0.89 2.33 5.08 -1.16 -2.16 114.58 119.30 2wxr h GLU 149 Ca 0.18 -0.43 0.09 0.00 -1.00 0.00 0.00 59.36 58.20 2wxr h GLU 149 Cb 0.37 0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.62 2wxr h GLU 149 CO 0.01 1.05 0.57 0.00 -1.00 0.00 0.00 179.01 179.64 2wxr h ALA 150 N 0.85 1.61 -0.00 3.43 0.00 -1.41 -1.88 119.26 121.86 2wxr h ALA 150 Ca -0.00 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.74 2wxr h ALA 150 Cb 1.18 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 18.73 2wxr h ALA 150 CO 0.12 0.22 -0.75 0.00 0.00 0.00 0.00 179.25 178.84 2wxr h ALA 151 N 1.55 0.75 -0.40 0.00 0.00 -0.98 -2.39 119.26 117.78 2wxr h ALA 151 Ca 0.40 -0.67 -0.10 0.00 0.00 0.00 0.00 54.91 54.55 2wxr h ALA 151 Cb 0.36 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2wxr h ALA 151 CO -0.17 0.91 -0.12 0.00 0.00 0.00 0.00 179.25 179.87 2wxr h ALA 152 N 1.22 0.56 -0.79 0.00 0.00 -1.11 -2.21 119.26 116.93 2wxr h ALA 152 Ca -0.01 -0.33 0.15 0.00 0.00 0.00 0.00 54.91 54.72 2wxr h ALA 152 Cb 1.32 -0.14 -0.10 0.00 0.00 0.00 0.00 17.79 18.88 2wxr h ALA 152 CO 0.10 0.45 0.34 1.25 0.00 0.00 0.00 179.25 181.39 2wxr h HIS 153 N 0.60 0.59 -0.75 0.00 6.17 -1.27 -2.32 115.15 118.16 2wxr h HIS 153 Ca 0.10 0.04 -0.06 0.00 0.71 0.00 0.00 60.37 61.16 2wxr h HIS 153 Cb 0.65 -0.14 -0.03 0.00 2.52 0.00 0.00 27.41 30.41 2wxr h HIS 153 CO 0.05 0.09 0.24 -0.09 0.71 0.00 0.00 177.93 178.93 2wxr h ARG 154 N 0.49 1.17 0.00 5.26 2.43 -0.89 -2.97 114.38 119.86 2wxr h ARG 154 Ca 0.44 -0.25 0.00 0.00 -0.81 0.00 0.00 59.98 59.36 2wxr h ARG 154 Cb 0.66 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 30.04 2wxr h ARG 154 CO -0.40 0.99 0.00 1.96 -1.51 0.00 0.00 179.97 181.01 2wxr h GLN 155 N 1.12 0.00 -0.06 0.20 1.08 -0.84 -3.13 115.11 113.49 2wxr h GLN 155 Ca 0.24 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.44 2wxr h GLN 155 Cb 0.31 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.74 2wxr h GLN 155 CO -0.01 0.00 0.00 0.00 -0.95 0.00 0.00 178.83 177.87 2wxr n GLN 156 N -2.96 1.11 -1.50 1.46 10.64 -1.13 -4.99 117.38 120.01 2wxr n GLN 156 Ca -0.00 -1.41 -0.37 0.00 -1.83 0.00 0.00 57.00 53.39 2wxr n GLN 156 Cb 0.24 -1.27 0.07 0.00 -0.86 0.00 0.00 30.24 28.42 2wxr n GLN 156 CO 0.00 0.00 0.00 1.28 -1.83 0.00 0.00 177.06 176.51 2wxr n LEU 157 N 0.77 3.52 -4.75 2.61 4.77 -1.18 -5.00 117.00 117.72 2wxr n LEU 157 Ca 0.09 0.73 -0.33 0.00 -0.03 0.00 0.00 56.01 56.47 2wxr n LEU 157 Cb 0.35 -1.39 0.07 0.00 -2.33 0.00 0.00 43.42 40.13 2wxr n LEU 157 CO 0.09 -2.01 0.74 -0.83 -1.33 0.00 0.00 177.39 174.05 2wxr s GLY 158 N -1.42 2.06 0.26 -0.72 0.00 -1.26 -4.79 107.32 101.44 2wxr s GLY 158 Ca 0.75 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 46.00 2wxr s GLY 158 CO 0.48 0.92 1.78 0.11 0.00 0.00 0.00 173.10 176.40 2wxr h TRP 159 N -0.40 0.91 -0.44 1.90 5.08 -1.94 0.13 115.95 121.19 2wxr h TRP 159 Ca -0.46 -0.10 -0.02 0.00 1.08 0.00 0.00 58.89 59.39 2wxr h TRP 159 Cb 1.25 -0.26 -0.02 0.00 -3.00 0.00 0.00 29.16 27.14 2wxr h TRP 159 CO 0.53 0.79 0.20 0.28 -1.28 0.00 0.00 178.44 178.97 2wxr h VAL 160 N 0.83 1.19 0.00 0.12 2.07 -1.97 -1.40 116.25 117.08 2wxr h VAL 160 Ca 0.17 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2wxr h VAL 160 Cb 0.37 0.73 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 2wxr h VAL 160 CO 0.01 0.20 -0.14 -0.33 0.02 0.00 0.00 177.57 177.34 2wxr h GLU 161 N 0.57 0.00 -0.31 1.57 5.08 -1.45 0.81 114.58 120.84 2wxr h GLU 161 Ca 0.15 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.36 2wxr h GLU 161 Cb 0.13 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.38 2wxr h GLU 161 CO -0.02 0.14 -0.37 2.35 -1.00 0.00 0.00 179.01 180.10 2wxr h TRP 162 N 0.00 0.98 -0.27 4.33 2.91 -0.39 -2.38 115.95 121.12 2wxr h TRP 162 Ca -0.00 -0.31 0.01 0.00 1.13 0.00 0.00 58.89 59.72 2wxr h TRP 162 Cb 0.27 -0.20 -0.02 0.00 -0.51 0.00 0.00 29.16 28.71 2wxr h TRP 162 CO 0.00 1.10 0.17 -0.07 -1.03 0.00 0.00 178.44 178.61 2wxr h LEU 163 N 0.57 0.28 -0.87 0.65 3.38 0.21 0.30 115.31 119.84 2wxr h LEU 163 Ca 0.04 -0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.19 2wxr h LEU 163 Cb 0.96 -0.07 -0.11 0.00 0.09 0.00 0.00 40.66 41.54 2wxr h LEU 163 CO 0.09 0.21 0.41 1.56 0.09 0.00 0.00 178.44 180.79 2wxr h GLN 164 N 0.35 0.48 0.26 1.13 4.20 -1.20 0.53 115.11 120.85 2wxr h GLN 164 Ca 0.10 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.77 2wxr h GLN 164 Cb -0.02 -0.11 0.00 0.00 0.30 0.00 0.00 27.48 27.65 2wxr h GLN 164 CO -0.04 0.32 -0.12 -0.92 -0.67 0.00 0.00 178.83 177.40 2wxr h TYR 165 N 0.50 -0.32 0.10 2.96 3.20 -0.62 -3.19 116.97 119.59 2wxr h TYR 165 Ca 0.51 -0.01 -0.17 0.00 3.14 0.00 0.00 58.73 62.21 2wxr h TYR 165 Cb 0.87 0.11 0.02 0.00 1.54 0.00 0.00 36.73 39.26 2wxr h TYR 165 CO -0.12 -0.00 -0.72 0.77 -1.64 0.00 0.00 178.16 176.45 2wxr h SER 166 N -0.66 0.46 -2.41 -2.11 0.02 0.10 -1.86 113.55 107.09 2wxr h SER 166 Ca -0.04 -0.90 -0.60 0.00 -0.84 0.00 0.00 61.79 59.41 2wxr h SER 166 Cb 0.46 -0.15 -0.41 0.00 0.14 0.00 0.00 62.40 62.45 2wxr h SER 166 CO 0.06 1.33 -0.75 0.49 -1.14 0.00 0.00 176.83 176.81 2wxr n PHE 167 N -4.17 2.04 -1.83 3.45 3.72 0.18 -4.67 117.46 116.17 2wxr n PHE 167 Ca -0.13 -3.95 -0.41 0.00 -0.05 0.00 0.00 57.45 52.91 2wxr n PHE 167 Cb 0.77 -0.41 -0.01 0.00 -0.94 0.00 0.00 39.48 38.89 2wxr n PHE 167 CO 0.00 0.00 0.00 -2.14 -0.05 0.00 0.00 176.76 174.57 2wxr s PRO 168 N -1.58 4.14 0.52 -1.08 0.02 -1.20 -4.53 135.00 131.29 2wxr s PRO 168 Ca 0.34 2.53 -0.22 0.00 0.02 0.00 0.00 61.00 63.67 2wxr s PRO 168 Cb 0.09 -3.00 -0.07 0.00 0.02 0.00 0.00 34.50 31.54 2wxr s PRO 168 CO -0.10 -0.53 1.11 1.28 -0.33 0.00 0.00 177.00 178.43 2wxr n LEU 169 N 1.13 3.91 -4.05 -5.54 4.77 -1.26 -4.95 117.00 111.00 2wxr n LEU 169 Ca 0.03 0.95 -0.34 0.00 -0.03 0.00 0.00 56.01 56.62 2wxr n LEU 169 Cb 0.39 -1.44 -0.11 0.00 -2.33 0.00 0.00 43.42 39.93 2wxr n LEU 169 CO 0.63 -1.29 -0.02 -1.10 -1.33 0.00 0.00 177.39 174.29 2wxr s GLN 170 N -2.52 2.42 0.18 3.23 -0.21 -1.26 -5.07 119.66 116.43 2wxr s GLN 170 Ca 0.69 -2.60 0.04 0.00 0.02 0.00 0.00 55.36 53.51 2wxr s GLN 170 Cb -0.46 -3.61 -0.03 0.00 1.00 0.00 0.00 33.01 29.90 2wxr s GLN 170 CO 0.52 -1.16 0.29 -0.51 -2.12 0.00 0.00 175.29 172.30 2wxr s LEU 171 N -0.20 4.26 0.16 2.90 1.43 -1.26 0.14 118.68 126.10 2wxr s LEU 171 Ca 0.17 0.10 -0.30 0.00 -1.03 0.00 0.00 54.13 53.07 2wxr s LEU 171 Cb -0.22 -2.83 -0.07 0.00 0.03 0.00 0.00 46.19 43.11 2wxr s LEU 171 CO -0.03 0.02 1.08 -1.61 0.23 0.00 0.00 176.35 176.04 2wxr s GLU 172 N -3.46 4.60 0.25 1.70 0.41 0.24 -4.59 118.70 117.85 2wxr s GLU 172 Ca 0.34 1.68 0.00 0.00 -0.41 0.00 0.00 54.97 56.58 2wxr s GLU 172 Cb -0.10 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 28.95 2wxr s GLU 172 CO 0.28 0.07 0.56 -2.30 -0.49 0.00 0.00 175.26 173.38 2wxr n PRO 173 N 2.57 0.01 0.00 0.39 -0.02 -1.26 -5.00 135.00 131.69 2wxr n PRO 173 Ca 0.03 0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.88 2wxr n PRO 173 Cb 0.47 -1.67 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 2wxr n PRO 173 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 2wxr n ASN 187 N -1.37 0.00 -4.08 2.55 2.85 -1.26 -4.86 115.26 109.09 2wxr n ASN 187 Ca 0.00 0.00 -0.21 0.00 -0.11 0.00 0.00 54.58 54.26 2wxr n ASN 187 Cb 0.56 0.00 -0.15 0.00 1.24 0.00 0.00 39.78 41.43 2wxr n ASN 187 CO 0.00 0.00 0.00 -0.60 -2.11 0.00 0.00 177.26 174.55 2wxr s ARG 188 N 0.00 1.02 0.46 1.20 3.00 -1.26 -5.02 118.95 118.36 2wxr s ARG 188 Ca 0.00 -0.44 -0.16 0.00 -1.00 0.00 0.00 55.73 54.12 2wxr s ARG 188 Cb 0.00 -0.98 -0.08 0.00 0.00 0.00 0.00 34.95 33.89 2wxr s ARG 188 CO 0.00 0.26 0.92 0.00 0.00 0.00 0.00 175.30 176.49 2wxr s ALA 189 N -0.28 3.13 0.21 6.12 0.00 -1.26 0.59 121.76 130.27 2wxr s ALA 189 Ca 0.05 0.14 -0.02 0.00 0.00 0.00 0.00 51.96 52.12 2wxr s ALA 189 Cb -0.05 -3.02 -0.04 0.00 0.00 0.00 0.00 23.12 20.01 2wxr s ALA 189 CO -0.00 -0.09 0.16 -0.48 0.00 0.00 0.00 175.76 175.36 2wxr s LEU 190 N -3.79 1.07 -0.15 0.00 2.34 0.20 -4.78 118.68 113.57 2wxr s LEU 190 Ca 0.58 -1.35 -0.04 0.00 0.06 0.00 0.00 54.13 53.38 2wxr s LEU 190 Cb -0.10 0.52 -0.03 0.00 -0.56 0.00 0.00 46.19 46.02 2wxr s LEU 190 CO 0.27 -0.87 -0.03 -0.22 -1.06 0.00 0.00 176.35 174.44 2wxr s LEU 191 N -3.15 3.29 -0.01 1.48 2.96 -1.26 -1.88 118.68 120.11 2wxr s LEU 191 Ca 0.37 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 54.18 2wxr s LEU 191 Cb 0.06 -1.79 0.01 0.00 0.50 0.00 0.00 46.19 44.97 2wxr s LEU 191 CO 0.12 0.18 0.00 -0.69 -1.32 0.00 0.00 176.35 174.64 2wxr s VAL 192 N 0.29 0.03 -0.26 1.68 1.01 -0.81 -3.33 120.40 119.01 2wxr s VAL 192 Ca -0.03 0.03 -0.10 0.00 0.00 0.00 0.00 61.98 61.89 2wxr s VAL 192 Cb -0.14 -0.06 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 2wxr s VAL 192 CO 0.03 0.03 0.14 0.21 0.00 0.00 0.00 175.10 175.51 2wxr s ASN 193 N 0.25 5.73 0.33 3.32 3.84 -0.31 -0.46 114.94 127.65 2wxr s ASN 193 Ca -0.02 -0.05 0.09 0.00 0.21 0.00 0.00 52.86 53.10 2wxr s ASN 193 Cb -0.03 -2.05 -0.06 0.00 -0.55 0.00 0.00 41.25 38.56 2wxr s ASN 193 CO -0.01 -0.01 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.55 2wxr s VAL 194 N 1.51 2.51 -0.15 -5.21 1.01 -0.75 -0.39 120.40 118.92 2wxr s VAL 194 Ca 0.07 -2.10 -0.34 0.00 0.00 0.00 0.00 61.98 59.61 2wxr s VAL 194 Cb -0.15 -2.70 0.13 0.00 0.00 0.00 0.00 36.38 33.66 2wxr s VAL 194 CO 0.07 -0.23 1.16 -1.59 0.00 0.00 0.00 175.10 174.51 2wxr s LYS 195 N -3.66 0.40 0.38 2.72 -2.85 -0.98 -1.60 119.74 114.15 2wxr s LYS 195 Ca 0.33 -0.15 0.08 0.00 -1.00 0.00 0.00 55.97 55.23 2wxr s LYS 195 Cb 0.00 0.18 -0.02 0.00 -2.06 0.00 0.00 37.83 35.93 2wxr s LYS 195 CO 0.18 -0.17 0.38 -0.06 0.10 0.00 0.00 175.35 175.77 2wxr s PHE 196 N -2.54 2.82 0.08 1.78 0.08 -1.26 0.14 117.98 119.08 2wxr s PHE 196 Ca 0.09 -0.39 -0.30 0.00 0.12 0.00 0.00 56.93 56.44 2wxr s PHE 196 Cb -0.01 -2.05 -0.17 0.00 -0.57 0.00 0.00 43.02 40.22 2wxr s PHE 196 CO -0.05 -0.04 1.65 1.49 -0.10 0.00 0.00 175.22 178.17 2wxr h GLU 197 N 1.05 -0.65 0.00 0.44 4.81 -1.95 -3.39 114.58 114.88 2wxr h GLU 197 Ca -0.43 0.04 0.00 0.00 -0.13 0.00 0.00 59.36 58.85 2wxr h GLU 197 Cb 1.26 0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.79 2wxr h GLU 197 CO 0.56 -0.43 0.00 0.41 -0.73 0.00 0.00 179.01 178.82 2wxr n GLY 198 N -1.39 -0.62 3.64 1.92 0.00 -1.26 -4.76 105.19 102.71 2wxr n GLY 198 Ca -0.12 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.61 2wxr n GLY 198 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wxr s SER 199 N -2.72 2.55 -0.29 1.61 1.04 -1.26 -4.96 113.70 109.67 2wxr s SER 199 Ca 0.00 1.68 0.12 0.00 0.48 0.00 0.00 55.95 58.23 2wxr s SER 199 Cb 0.00 -2.32 0.73 0.00 0.10 0.00 0.00 66.02 64.53 2wxr s SER 199 CO 0.00 -3.25 1.73 -0.62 0.98 0.00 0.00 173.24 172.08 2wxr n GLU 200 N -4.30 3.80 -2.50 4.02 4.71 -1.26 -4.54 120.64 120.57 2wxr n GLU 200 Ca 0.07 -3.09 -0.42 0.00 -0.01 0.00 0.00 57.16 53.71 2wxr n GLU 200 Cb 0.54 -2.16 -0.03 0.00 -1.01 0.00 0.00 31.44 28.78 2wxr n GLU 200 CO 0.00 0.00 0.00 -1.21 0.09 0.00 0.00 177.13 176.01 2wxr s GLU 201 N -2.94 4.44 0.07 3.49 2.02 -1.26 -5.03 118.70 119.49 2wxr s GLU 201 Ca 0.53 1.66 0.08 0.00 0.02 0.00 0.00 54.97 57.26 2wxr s GLU 201 Cb 0.42 -3.42 -0.03 0.00 0.10 0.00 0.00 34.13 31.20 2wxr s GLU 201 CO 0.13 -0.25 -0.21 -1.54 0.02 0.00 0.00 175.26 173.41 2wxr s SER 202 N 1.13 2.48 0.27 -0.19 1.04 -1.26 -4.37 113.70 112.81 2wxr s SER 202 Ca 0.56 -0.60 0.09 0.00 0.48 0.00 0.00 55.95 56.49 2wxr s SER 202 Cb -0.26 -0.17 -0.04 0.00 0.10 0.00 0.00 66.02 65.64 2wxr s SER 202 CO 0.27 0.11 0.06 -0.36 0.98 0.00 0.00 173.24 174.30 2wxr s PHE 203 N -0.97 2.79 -0.13 5.02 0.08 -0.63 -4.98 117.98 119.16 2wxr s PHE 203 Ca 0.07 -0.21 -0.00 0.00 0.12 0.00 0.00 56.93 56.91 2wxr s PHE 203 Cb -0.09 -1.28 0.03 0.00 -0.57 0.00 0.00 43.02 41.11 2wxr s PHE 203 CO 0.03 0.57 -0.08 0.99 -0.10 0.00 0.00 175.22 176.63 2wxr s THR 204 N -2.29 1.15 0.33 0.64 2.01 -1.26 -1.81 115.64 114.41 2wxr s THR 204 Ca 0.32 -0.44 0.07 0.00 0.31 0.00 0.00 61.69 61.95 2wxr s THR 204 Cb -0.06 -1.19 -0.02 0.00 0.01 0.00 0.00 72.50 71.24 2wxr s THR 204 CO 0.21 0.33 0.39 -0.36 -0.69 0.00 0.00 174.62 174.51 2wxr s PHE 205 N 1.65 3.04 -0.15 4.92 0.08 0.39 -4.92 117.98 122.99 2wxr s PHE 205 Ca 0.04 -0.24 0.00 0.00 0.12 0.00 0.00 56.93 56.85 2wxr s PHE 205 Cb -0.13 -1.90 0.03 0.00 -0.57 0.00 0.00 43.02 40.45 2wxr s PHE 205 CO -0.09 0.09 -0.11 -1.14 -0.10 0.00 0.00 175.22 173.87 2wxr s GLN 206 N -4.09 2.01 0.08 0.44 0.74 -1.26 -1.92 119.66 115.65 2wxr s GLN 206 Ca 0.43 -0.54 -0.09 0.00 0.05 0.00 0.00 55.36 55.22 2wxr s GLN 206 Cb -0.08 -2.04 -0.00 0.00 1.10 0.00 0.00 33.01 31.99 2wxr s GLN 206 CO 0.29 -0.29 0.18 0.14 -0.55 0.00 0.00 175.29 175.06 2wxr s VAL 207 N 1.53 0.14 0.38 1.34 -7.23 -0.79 -4.94 120.40 110.83 2wxr s VAL 207 Ca 0.04 -1.18 -0.28 0.00 -1.81 0.00 0.00 61.98 58.75 2wxr s VAL 207 Cb -0.14 -1.31 -0.11 0.00 0.56 0.00 0.00 36.38 35.39 2wxr s VAL 207 CO -0.09 -0.65 1.45 -0.55 -0.31 0.00 0.00 175.10 174.94 2wxr s SER 208 N -2.81 6.37 0.57 4.85 0.15 -1.26 0.62 113.70 122.19 2wxr s SER 208 Ca 0.04 2.97 0.28 0.00 0.70 0.00 0.00 55.95 59.94 2wxr s SER 208 Cb 0.05 -2.66 1.48 0.00 -1.71 0.00 0.00 66.02 63.17 2wxr s SER 208 CO -0.10 -0.85 1.94 0.71 1.20 0.00 0.00 173.24 176.14 2wxr h THR 209 N 2.90 0.49 -0.04 6.45 1.35 -0.16 -2.32 112.91 121.58 2wxr h THR 209 Ca -0.50 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 2wxr h THR 209 Cb 1.24 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2wxr h THR 209 CO 0.64 0.00 0.00 2.29 -0.25 0.00 0.00 175.52 178.20 2wxr n LYS 210 N -3.95 1.59 -2.35 4.72 2.85 -1.26 -1.82 118.16 117.94 2wxr n LYS 210 Ca 0.09 -0.86 -0.41 0.00 -1.05 0.00 0.00 58.31 56.08 2wxr n LYS 210 Cb 0.65 -1.46 -0.03 0.00 -0.65 0.00 0.00 35.03 33.54 2wxr n LYS 210 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2wxr s ASP 211 N -1.92 7.08 0.57 -5.58 1.01 -0.88 -4.54 116.67 112.41 2wxr s ASP 211 Ca 0.38 2.33 -0.21 0.00 0.71 0.00 0.00 52.55 55.76 2wxr s ASP 211 Cb 0.20 -2.62 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2wxr s ASP 211 CO 0.32 -0.33 1.32 -0.04 0.21 0.00 0.00 175.17 176.65 2wxr s MET 212 N -0.89 3.04 0.47 8.23 -1.94 -1.26 -1.84 119.30 125.11 2wxr s MET 212 Ca 0.50 2.14 0.22 0.00 -1.71 0.00 0.00 55.69 56.83 2wxr s MET 212 Cb -0.34 -2.15 1.22 0.00 2.01 0.00 0.00 34.83 35.57 2wxr s MET 212 CO 0.41 -1.24 1.90 -1.35 -0.01 0.00 0.00 175.02 174.73 2wxr h PRO 213 N 1.25 0.24 -0.82 2.03 0.11 -1.80 -1.17 132.00 131.84 2wxr h PRO 213 Ca -0.51 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.55 2wxr h PRO 213 Cb 1.30 -0.05 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 2wxr h PRO 213 CO 0.56 0.16 0.35 1.25 -0.21 0.00 0.00 178.00 180.11 2wxr h LEU 214 N 0.25 1.11 -0.73 2.35 5.85 -1.91 -1.28 115.31 120.94 2wxr h LEU 214 Ca 0.40 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 59.01 2wxr h LEU 214 Cb 1.18 -0.29 -0.05 0.00 0.37 0.00 0.00 40.66 41.87 2wxr h LEU 214 CO -0.09 0.96 0.44 0.00 -0.34 0.00 0.00 178.44 179.40 2wxr h ALA 215 N 1.20 0.98 -0.47 1.25 0.00 -1.58 -0.93 119.26 119.70 2wxr h ALA 215 Ca 0.28 -0.00 -0.13 0.00 0.00 0.00 0.00 54.91 55.05 2wxr h ALA 215 Cb 0.18 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2wxr h ALA 215 CO -0.03 0.16 -0.22 1.25 0.00 0.00 0.00 179.25 180.41 2wxr h LEU 216 N 0.82 1.00 -1.06 0.00 6.46 -1.40 -2.90 115.31 118.24 2wxr h LEU 216 Ca 0.31 -0.38 0.01 0.00 -0.12 0.00 0.00 57.88 57.70 2wxr h LEU 216 Cb 0.13 -0.28 -0.05 0.00 -0.73 0.00 0.00 40.66 39.74 2wxr h LEU 216 CO -0.16 1.18 0.64 0.24 -0.62 0.00 0.00 178.44 179.71 2wxr h MET 217 N 0.84 1.26 -0.47 1.25 2.86 -0.71 -2.35 114.93 117.61 2wxr h MET 217 Ca 0.11 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.67 2wxr h MET 217 Cb 0.80 -0.28 -0.02 0.00 0.06 0.00 0.00 31.60 32.15 2wxr h MET 217 CO 0.07 0.83 0.27 0.00 1.06 0.00 0.00 176.91 179.14 2wxr h ALA 218 N 1.40 1.58 0.86 6.32 0.00 -0.99 -2.43 119.26 126.00 2wxr h ALA 218 Ca 0.35 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.16 2wxr h ALA 218 Cb -0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.46 2wxr h ALA 218 CO -0.08 0.36 -0.49 0.00 0.00 0.00 0.00 179.25 179.04 2wxr h ALA 220 N -1.19 0.34 -0.31 0.00 0.00 -1.11 0.43 119.26 117.43 2wxr h ALA 220 Ca -0.12 0.24 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 2wxr h ALA 220 Cb 0.99 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 19.34 2wxr h ALA 220 CO 0.15 -0.48 -0.16 -0.07 0.00 0.00 0.00 179.25 178.69 2wxr h LEU 221 N -0.04 0.53 -0.77 0.00 3.38 -1.50 -0.04 115.31 116.87 2wxr h LEU 221 Ca 0.31 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.10 2wxr h LEU 221 Cb 0.52 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 41.09 2wxr h LEU 221 CO -0.70 0.71 0.37 0.03 0.09 0.00 0.00 178.44 178.94 2wxr h ARG 222 N 0.49 1.10 0.10 1.13 3.08 -0.68 0.20 114.38 119.80 2wxr h ARG 222 Ca 0.08 -0.16 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 2wxr h ARG 222 Cb 0.56 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.41 2wxr h ARG 222 CO 0.04 0.85 -0.05 0.87 -1.07 0.00 0.00 179.97 180.61 2wxr h LYS 223 N 1.08 -0.13 0.09 0.04 1.79 -0.02 -1.15 116.57 118.27 2wxr h LYS 223 Ca 0.26 0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.75 2wxr h LYS 223 Cb 0.11 0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2wxr h LYS 223 CO -0.03 0.03 -0.13 -0.22 -1.08 0.00 0.00 179.45 178.01 2wxr h LYS 224 N -0.25 -0.26 -0.08 3.15 3.64 -0.94 -1.35 116.57 120.49 2wxr h LYS 224 Ca -0.01 0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.41 2wxr h LYS 224 Cb 0.21 0.06 -0.00 0.00 -0.41 0.00 0.00 32.23 32.09 2wxr h LYS 224 CO 0.02 -0.17 0.06 0.00 -2.27 0.00 0.00 179.45 177.09 2wxr h ALA 225 N 0.61 1.89 0.23 5.00 0.00 -0.59 0.46 119.26 126.86 2wxr h ALA 225 Ca 0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 2wxr h ALA 225 Cb 0.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2wxr h ALA 225 CO -0.07 -0.10 -0.11 1.79 0.00 0.00 0.00 179.25 180.76 2wxr h THR 226 N 0.00 0.14 -0.57 0.00 1.35 -0.75 0.54 112.91 113.62 2wxr h THR 226 Ca 0.04 -0.84 0.10 0.00 -0.55 0.00 0.00 66.41 65.16 2wxr h THR 226 Cb 0.17 0.24 -0.08 0.00 -1.73 0.00 0.00 68.15 66.75 2wxr h THR 226 CO -0.00 0.04 0.14 0.58 -0.25 0.00 0.00 175.52 176.03 2wxr h VAL 227 N -1.06 0.70 0.00 6.82 2.07 -1.01 0.07 116.25 123.84 2wxr h VAL 227 Ca -0.03 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.39 2wxr h VAL 227 Cb 0.30 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.46 2wxr h VAL 227 CO 0.05 0.05 0.00 0.49 0.02 0.00 0.00 177.57 178.18 2wxr n PHE 228 N -5.09 0.00 -1.31 1.57 3.01 0.16 -4.87 117.46 110.93 2wxr n PHE 228 Ca 0.08 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.43 2wxr n PHE 228 Cb 0.28 -0.34 -0.05 0.00 -0.01 0.00 0.00 39.48 39.37 2wxr n PHE 228 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2wxr n ARG 229 N -1.34 -1.23 -0.61 -1.08 5.12 0.01 -5.02 116.66 112.51 2wxr n ARG 229 Ca 0.06 0.83 0.00 0.00 -1.93 0.00 0.00 57.85 56.82 2wxr n ARG 229 Cb 0.14 -4.98 0.00 0.00 -1.16 0.00 0.00 32.46 26.45 2wxr n ARG 229 CO 0.00 0.00 0.00 0.94 -1.93 0.00 0.00 177.63 176.64 2wxr n GLN 230 N -1.71 -1.63 0.00 5.56 7.27 0.19 -4.97 117.38 122.07 2wxr n GLN 230 Ca -0.11 1.26 0.00 0.00 0.07 0.00 0.00 57.00 58.22 2wxr n GLN 230 Cb 0.47 -1.55 0.00 0.00 2.41 0.00 0.00 30.24 31.57 2wxr n GLN 230 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2wxr n GLN 235 N -1.77 0.00 -0.04 3.69 -0.06 -1.26 -5.03 117.38 112.91 2wxr n GLN 235 Ca 0.00 0.00 0.10 0.00 -2.00 0.00 0.00 57.00 55.10 2wxr n GLN 235 Cb 0.16 0.00 0.49 0.00 -4.06 0.00 0.00 30.24 26.83 2wxr n GLN 235 CO 0.00 0.00 0.00 -1.35 -0.20 0.00 0.00 177.06 175.51 2wxr h PRO 236 N 0.00 0.40 0.00 3.69 0.11 -1.93 -1.60 132.00 132.67 2wxr h PRO 236 Ca 0.00 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.09 2wxr h PRO 236 Cb 0.00 -0.09 0.00 0.00 0.11 0.00 0.00 31.00 31.02 2wxr h PRO 236 CO 0.00 0.26 0.00 0.39 -0.21 0.00 0.00 178.00 178.44 2wxr n GLU 237 N -4.47 0.13 0.00 1.05 4.71 -1.26 -2.67 120.64 118.13 2wxr n GLU 237 Ca 0.07 0.46 0.10 0.00 -0.01 0.00 0.00 57.16 57.79 2wxr n GLU 237 Cb 0.28 -1.81 0.52 0.00 -1.01 0.00 0.00 31.44 29.43 2wxr n GLU 237 CO 0.00 0.00 0.00 0.39 0.09 0.00 0.00 177.13 177.61 2wxr n GLU 238 N -2.06 0.32 -4.51 3.49 -0.58 -0.60 -4.89 120.64 111.81 2wxr n GLU 238 Ca 0.01 0.09 -0.24 0.00 -0.42 0.00 0.00 57.16 56.60 2wxr n GLU 238 Cb 0.15 -1.50 -0.11 0.00 -0.57 0.00 0.00 31.44 29.41 2wxr n GLU 238 CO 0.00 0.00 0.00 0.71 -0.48 0.00 0.00 177.13 177.36 2wxr s TYR 239 N -2.53 2.13 0.03 -0.32 2.02 -1.09 -0.94 117.35 116.66 2wxr s TYR 239 Ca 0.20 -0.87 -0.01 0.00 -0.37 0.00 0.00 57.07 56.01 2wxr s TYR 239 Cb 0.14 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.23 2wxr s TYR 239 CO 0.31 0.14 -0.01 0.00 -1.57 0.00 0.00 175.55 174.42 2wxr s ALA 240 N -3.11 0.23 -0.25 3.71 0.00 -0.58 -4.99 121.76 116.77 2wxr s ALA 240 Ca 0.36 -0.82 -0.14 0.00 0.00 0.00 0.00 51.96 51.36 2wxr s ALA 240 Cb 0.09 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.38 2wxr s ALA 240 CO 0.16 -0.27 0.32 -0.51 0.00 0.00 0.00 175.76 175.46 2wxr s LEU 241 N -2.15 4.07 0.03 0.00 1.43 -0.60 -0.75 118.68 120.71 2wxr s LEU 241 Ca -0.05 0.27 -0.18 0.00 -1.03 0.00 0.00 54.13 53.14 2wxr s LEU 241 Cb -0.01 -2.35 -0.06 0.00 0.03 0.00 0.00 46.19 43.80 2wxr s LEU 241 CO -0.05 -0.10 0.51 -1.58 0.23 0.00 0.00 176.35 175.36 2wxr s GLN 242 N 1.69 4.13 0.06 1.70 0.74 0.86 0.13 119.66 128.98 2wxr s GLN 242 Ca 0.13 0.61 -0.31 0.00 0.05 0.00 0.00 55.36 55.85 2wxr s GLN 242 Cb -0.15 -3.26 -0.06 0.00 1.10 0.00 0.00 33.01 30.64 2wxr s GLN 242 CO 0.09 0.60 1.23 0.08 -0.55 0.00 0.00 175.29 176.73 2wxr s VAL 243 N -0.89 3.93 -0.03 1.34 1.01 -0.08 -0.08 120.40 125.60 2wxr s VAL 243 Ca 0.27 1.38 -0.34 0.00 0.00 0.00 0.00 61.98 63.29 2wxr s VAL 243 Cb -0.18 -3.88 -0.12 0.00 0.00 0.00 0.00 36.38 32.19 2wxr s VAL 243 CO 0.16 0.10 1.80 0.59 0.00 0.00 0.00 175.10 177.76 2wxr n ASN 244 N 3.99 3.34 -0.29 3.32 3.02 -0.60 -2.45 115.26 125.59 2wxr n ASN 244 Ca 0.09 1.00 -0.04 0.00 -0.03 0.00 0.00 54.58 55.61 2wxr n ASN 244 Cb 0.46 -1.38 -0.02 0.00 -0.61 0.00 0.00 39.78 38.23 2wxr n ASN 244 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2wxr n GLY 245 N 4.15 0.60 3.36 7.41 0.00 -1.24 -4.24 105.19 115.23 2wxr n GLY 245 Ca 0.21 -0.21 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wxr n GLY 245 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wxr s ARG 246 N -1.68 1.36 -1.59 1.61 0.52 -1.02 -3.98 118.95 114.16 2wxr s ARG 246 Ca 0.00 -1.52 -0.11 0.00 -0.52 0.00 0.00 55.73 53.58 2wxr s ARG 246 Cb 0.00 -1.35 -0.06 0.00 0.52 0.00 0.00 34.95 34.06 2wxr s ARG 246 CO 0.00 0.26 2.80 0.72 0.02 0.00 0.00 175.30 179.10 2wxr n HIS 247 N -0.05 2.66 -3.99 -0.53 8.25 0.11 -4.63 115.22 117.04 2wxr n HIS 247 Ca -0.10 -3.07 -0.12 0.00 -0.26 0.00 0.00 57.72 54.17 2wxr n HIS 247 Cb 0.58 -2.51 -0.12 0.00 1.12 0.00 0.00 29.99 29.06 2wxr n HIS 247 CO 0.00 0.00 0.00 -2.00 0.64 0.00 0.00 176.34 174.98 2wxr s GLU 248 N 2.36 0.29 0.00 -0.41 2.12 -1.26 -4.67 118.70 117.13 2wxr s GLU 248 Ca 0.65 -0.42 -0.01 0.00 0.36 0.00 0.00 54.97 55.55 2wxr s GLU 248 Cb 0.17 -0.08 -0.01 0.00 0.26 0.00 0.00 34.13 34.48 2wxr s GLU 248 CO -0.07 0.01 0.01 0.71 -0.54 0.00 0.00 175.26 175.38 2wxr s TYR 249 N -0.86 0.07 -0.20 5.30 1.51 -1.26 -0.90 117.35 121.02 2wxr s TYR 249 Ca -0.08 -0.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.81 2wxr s TYR 249 Cb -0.06 -0.06 -0.00 0.00 -0.11 0.00 0.00 41.96 41.73 2wxr s TYR 249 CO -0.00 -0.08 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.76 2wxr s LEU 250 N -0.54 2.71 0.23 -1.29 1.02 0.35 -4.79 118.68 116.37 2wxr s LEU 250 Ca -0.06 -0.44 -0.21 0.00 0.02 0.00 0.00 54.13 53.44 2wxr s LEU 250 Cb -0.04 -1.67 0.07 0.00 0.02 0.00 0.00 46.19 44.57 2wxr s LEU 250 CO -0.00 0.01 0.95 -0.72 0.02 0.00 0.00 176.35 176.60 2wxr s TYR 251 N 1.29 0.03 0.00 0.29 -0.85 -1.26 -1.56 117.35 115.29 2wxr s TYR 251 Ca 0.03 -0.49 0.00 0.00 -0.52 0.00 0.00 57.07 56.09 2wxr s TYR 251 Cb -0.14 0.73 0.00 0.00 0.38 0.00 0.00 41.96 42.92 2wxr s TYR 251 CO -0.04 -1.08 0.00 0.41 -1.52 0.00 0.00 175.55 173.31 2wxr n GLY 252 N -0.60 2.30 2.72 5.49 0.00 -1.26 -4.79 105.19 109.04 2wxr n GLY 252 Ca -0.05 -2.02 -0.42 0.00 0.00 0.00 0.00 46.02 43.54 2wxr n GLY 252 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wxr n ASN 253 N 0.00 6.41 -3.99 1.61 5.15 -1.26 -4.53 115.26 118.65 2wxr n ASN 253 Ca 0.00 -3.17 -0.11 0.00 -0.60 0.00 0.00 54.58 50.70 2wxr n ASN 253 Cb 0.00 -1.40 -0.12 0.00 -0.53 0.00 0.00 39.78 37.73 2wxr n ASN 253 CO 0.00 0.00 0.00 -0.31 1.40 0.00 0.00 177.26 178.35 2wxr s TYR 254 N -0.65 0.35 0.32 1.20 2.02 -1.26 -5.11 117.35 114.21 2wxr s TYR 254 Ca 0.44 -0.44 -0.28 0.00 -0.37 0.00 0.00 57.07 56.42 2wxr s TYR 254 Cb 0.13 -0.23 -0.10 0.00 -0.40 0.00 0.00 41.96 41.37 2wxr s TYR 254 CO -0.03 -0.13 1.17 -2.14 -1.57 0.00 0.00 175.55 172.84 2wxr s PRO 255 N -1.26 4.45 0.30 -1.71 0.02 -1.26 -3.89 135.00 131.65 2wxr s PRO 255 Ca -0.12 1.92 0.07 0.00 0.02 0.00 0.00 61.00 62.88 2wxr s PRO 255 Cb -0.09 -3.05 0.82 0.00 0.02 0.00 0.00 34.50 32.21 2wxr s PRO 255 CO -0.00 0.00 1.69 -0.07 -0.33 0.00 0.00 177.00 178.29 2wxr h LEU 256 N 3.46 0.37 -2.18 -5.54 3.38 -0.59 0.29 115.31 114.50 2wxr h LEU 256 Ca -0.48 0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.65 2wxr h LEU 256 Cb 1.22 0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.11 2wxr h LEU 256 CO 0.66 -0.03 -0.06 0.00 0.09 0.00 0.00 178.44 179.09 2wxr h HIS 258 N 0.00 0.00 -2.99 0.00 3.86 -0.71 -3.34 115.15 111.98 2wxr h HIS 258 Ca -0.00 0.00 -0.56 0.00 -1.16 0.00 0.00 60.37 58.65 2wxr h HIS 258 Cb 0.15 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.60 2wxr h HIS 258 CO 0.00 0.15 0.80 -0.06 0.86 0.00 0.00 177.93 179.67 2wxr s PHE 259 N -4.36 2.99 0.40 2.45 0.08 -0.34 0.79 117.98 120.00 2wxr s PHE 259 Ca -0.03 1.06 0.25 0.00 0.12 0.00 0.00 56.93 58.33 2wxr s PHE 259 Cb 0.14 -3.50 1.38 0.00 -0.57 0.00 0.00 43.02 40.47 2wxr s PHE 259 CO 0.63 -1.68 1.60 1.96 -0.10 0.00 0.00 175.22 177.63 2wxr h GLN 260 N 7.82 0.06 0.04 0.44 4.20 -0.55 0.68 115.11 127.79 2wxr h GLN 260 Ca -0.32 -0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.38 2wxr h GLN 260 Cb 1.15 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.91 2wxr h GLN 260 CO 0.91 0.04 -0.02 -0.92 -0.67 0.00 0.00 178.83 178.18 2wxr h TYR 261 N 0.06 -0.05 -0.68 2.96 3.20 -1.91 0.18 116.97 120.73 2wxr h TYR 261 Ca 0.84 -0.00 0.04 0.00 3.14 0.00 0.00 58.73 62.74 2wxr h TYR 261 Cb 2.41 0.02 -0.05 0.00 1.54 0.00 0.00 36.73 40.65 2wxr h TYR 261 CO -0.01 0.52 0.42 0.82 -1.64 0.00 0.00 178.16 178.26 2wxr h ILE 262 N -0.65 1.06 -0.15 1.81 1.08 -1.50 0.22 117.51 119.38 2wxr h ILE 262 Ca -0.01 -0.28 0.05 0.00 -0.39 0.00 0.00 64.86 64.23 2wxr h ILE 262 Cb 0.58 0.19 -0.05 0.00 -3.07 0.00 0.00 36.82 34.47 2wxr h ILE 262 CO 0.01 0.15 -0.17 0.00 -0.69 0.00 0.00 178.15 177.45 2wxr h SER 264 N -0.20 -0.80 -0.83 0.00 0.87 -0.60 -2.95 113.55 109.05 2wxr h SER 264 Ca 0.10 0.10 0.20 0.00 -1.23 0.00 0.00 61.79 60.96 2wxr h SER 264 Cb 0.35 0.31 -0.12 0.00 -0.44 0.00 0.00 62.40 62.51 2wxr h SER 264 CO -0.27 -0.36 0.27 0.00 -0.53 0.00 0.00 176.83 175.95 2wxr h LEU 266 N 0.31 0.00 0.00 0.00 3.38 -1.25 -1.27 115.31 116.49 2wxr h LEU 266 Ca 0.49 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.46 2wxr h LEU 266 Cb 0.91 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2wxr h LEU 266 CO -0.54 0.07 -0.06 0.45 0.09 0.00 0.00 178.44 178.45 2wxr h HIS 267 N 0.00 0.00 0.00 1.13 3.86 -0.16 -3.35 115.15 116.63 2wxr h HIS 267 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 2wxr h HIS 267 Cb 0.13 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.60 2wxr h HIS 267 CO 0.00 0.00 0.00 -1.13 0.86 0.00 0.00 177.93 177.66 2wxr n SER 268 N -4.00 0.00 0.00 2.45 3.41 -0.94 -4.86 113.62 109.67 2wxr n SER 268 Ca -0.01 -0.47 0.00 0.00 -0.26 0.00 0.00 58.87 58.13 2wxr n SER 268 Cb 0.03 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.98 2wxr n SER 268 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wxr n GLY 269 N -0.12 2.89 3.58 5.00 0.00 -0.51 -5.05 105.19 110.97 2wxr n GLY 269 Ca 0.10 -0.05 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 2wxr n GLY 269 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wxr n LEU 270 N 0.00 1.99 -4.69 0.99 4.32 -1.03 -4.83 117.00 113.76 2wxr n LEU 270 Ca 0.00 0.38 -0.42 0.00 -0.02 0.00 0.00 56.01 55.95 2wxr n LEU 270 Cb 0.00 -1.38 -0.03 0.00 -1.62 0.00 0.00 43.42 40.39 2wxr n LEU 270 CO 0.00 -2.70 0.67 -0.89 -1.22 0.00 0.00 177.39 173.25 2wxr s THR 271 N -2.55 4.86 0.40 -5.08 2.01 -1.26 -4.48 115.64 109.54 2wxr s THR 271 Ca 0.63 1.86 -0.26 0.00 0.31 0.00 0.00 61.69 64.24 2wxr s THR 271 Cb -0.22 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 67.95 2wxr s THR 271 CO 0.61 0.07 1.22 -2.65 -0.69 0.00 0.00 174.62 173.18 2wxr n PRO 272 N 4.70 1.83 -3.83 4.92 -0.02 -1.21 -4.82 135.00 136.57 2wxr n PRO 272 Ca 0.06 0.65 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 2wxr n PRO 272 Cb 0.49 -2.29 -0.16 0.00 -0.02 0.00 0.00 33.50 31.52 2wxr n PRO 272 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 2wxr s HIS 273 N -1.19 1.65 0.05 6.00 3.76 -1.26 -1.16 115.29 123.14 2wxr s HIS 273 Ca 0.60 -1.28 0.05 0.00 -0.15 0.00 0.00 55.06 54.29 2wxr s HIS 273 Cb -0.53 -1.29 -0.02 0.00 1.11 0.00 0.00 32.58 31.85 2wxr s HIS 273 CO 0.58 -0.69 -0.15 -0.51 -0.85 0.00 0.00 174.74 173.13 2wxr s LEU 274 N 1.65 2.20 -0.09 0.89 1.43 0.48 -1.56 118.68 123.68 2wxr s LEU 274 Ca -0.03 -0.50 0.02 0.00 -1.03 0.00 0.00 54.13 52.58 2wxr s LEU 274 Cb -0.18 -0.62 -0.02 0.00 0.03 0.00 0.00 46.19 45.40 2wxr s LEU 274 CO -0.07 0.02 -0.12 -0.89 0.23 0.00 0.00 176.35 175.51 2wxr s THR 275 N -0.95 3.17 -0.46 5.49 2.01 0.88 -2.31 115.64 123.48 2wxr s THR 275 Ca 0.01 -0.66 -0.28 0.00 0.31 0.00 0.00 61.69 61.07 2wxr s THR 275 Cb -0.08 -2.29 0.01 0.00 0.01 0.00 0.00 72.50 70.15 2wxr s THR 275 CO 0.02 0.56 1.44 -0.04 -0.69 0.00 0.00 174.62 175.91 2wxr s MET 276 N -0.28 3.47 -0.23 4.92 -1.94 0.12 -0.10 119.30 125.26 2wxr s MET 276 Ca 0.02 0.81 -0.07 0.00 -1.71 0.00 0.00 55.69 54.75 2wxr s MET 276 Cb -0.13 -4.07 -0.03 0.00 2.01 0.00 0.00 34.83 32.61 2wxr s MET 276 CO 0.03 -1.71 0.05 0.08 -0.01 0.00 0.00 175.02 173.46 2wxr s VAL 277 N 5.75 4.31 0.68 -6.03 1.01 0.07 -3.82 120.40 122.36 2wxr s VAL 277 Ca 0.60 -0.18 -0.13 0.00 0.00 0.00 0.00 61.98 62.26 2wxr s VAL 277 Cb -0.13 -2.99 0.00 0.00 0.00 0.00 0.00 36.38 33.27 2wxr s VAL 277 CO 0.30 0.38 1.08 -2.28 0.00 0.00 0.00 175.10 174.58 2wxr s HIS 278 N 1.28 2.84 0.28 5.22 2.46 -1.26 -1.53 115.29 124.59 2wxr s HIS 278 Ca 0.05 1.51 0.08 0.00 0.47 0.00 0.00 55.06 57.16 2wxr s HIS 278 Cb -0.15 -3.02 0.41 0.00 -0.13 0.00 0.00 32.58 29.70 2wxr s HIS 278 CO 0.03 -1.43 1.66 0.66 -2.47 0.00 0.00 174.74 173.18 2wxr h SER 279 N -0.31 0.15 0.88 9.88 4.64 -1.42 -2.60 113.55 124.76 2wxr h SER 279 Ca -0.45 -0.08 -0.06 0.00 -0.47 0.00 0.00 61.79 60.73 2wxr h SER 279 Cb 1.23 -0.04 -0.01 0.00 -0.31 0.00 0.00 62.40 63.26 2wxr h SER 279 CO 0.55 0.64 -0.29 0.77 -0.87 0.00 0.00 176.83 177.63 2wxr h SER 280 N 0.11 0.00 -0.29 4.97 4.64 -1.93 0.17 113.55 121.22 2wxr h SER 280 Ca 0.00 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.14 2wxr h SER 280 Cb 0.94 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.03 2wxr h SER 280 CO 0.07 0.29 -0.51 -1.28 -0.87 0.00 0.00 176.83 174.53 2wxr h SER 281 N 0.00 0.95 0.27 4.97 0.87 -1.86 -2.57 113.55 116.18 2wxr h SER 281 Ca -0.00 -0.53 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 2wxr h SER 281 Cb 0.80 -0.27 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 2wxr h SER 281 CO 0.04 1.30 -0.13 0.40 -0.53 0.00 0.00 176.83 177.91 2wxr h ILE 282 N 0.63 0.76 -0.96 2.23 2.04 -1.18 -2.99 117.51 118.04 2wxr h ILE 282 Ca 0.02 -0.63 0.24 0.00 1.00 0.00 0.00 64.86 65.49 2wxr h ILE 282 Cb 1.12 1.09 -0.07 0.00 -0.74 0.00 0.00 36.82 38.23 2wxr h ILE 282 CO 0.12 0.13 0.64 -0.07 0.00 0.00 0.00 178.15 178.97 2wxr h LEU 283 N -0.71 0.30 -1.22 1.44 3.38 -1.06 0.25 115.31 117.69 2wxr h LEU 283 Ca -0.04 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 2wxr h LEU 283 Cb 0.49 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wxr h LEU 283 CO 0.06 0.10 0.08 0.00 0.09 0.00 0.00 178.44 178.77 2wxr h ALA 284 N 1.59 1.37 -0.29 1.53 0.00 -1.38 0.16 119.26 122.24 2wxr h ALA 284 Ca 0.50 -0.18 -0.13 0.00 0.00 0.00 0.00 54.91 55.11 2wxr h ALA 284 Cb 1.45 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wxr h ALA 284 CO -0.16 0.45 -0.31 0.52 0.00 0.00 0.00 179.25 179.74 2wxr h MET 285 N 0.60 0.72 -0.73 0.00 2.86 -0.39 -2.00 114.93 115.98 2wxr h MET 285 Ca 0.14 -0.39 -0.03 0.00 -2.06 0.00 0.00 59.70 57.35 2wxr h MET 285 Cb 0.26 0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.91 2wxr h MET 285 CO 0.00 1.01 0.34 -0.09 1.06 0.00 0.00 176.91 179.23 2wxr h ARG 286 N 0.46 1.07 -0.35 1.72 2.43 -0.98 -2.74 114.38 116.00 2wxr h ARG 286 Ca 0.04 -0.17 0.06 0.00 -0.81 0.00 0.00 59.98 59.11 2wxr h ARG 286 Cb 0.89 -0.19 -0.06 0.00 -0.42 0.00 0.00 29.97 30.20 2wxr h ARG 286 CO 0.08 0.85 -0.00 -0.44 -1.51 0.00 0.00 179.97 178.94 2wxr h ASP 287 N 1.03 -0.14 0.42 -3.80 5.19 -0.56 -2.66 116.42 115.90 2wxr h ASP 287 Ca 0.25 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.74 2wxr h ASP 287 Cb 0.14 0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.80 2wxr h ASP 287 CO -0.03 -0.04 0.00 1.05 -3.12 0.00 0.00 179.24 177.11 2wxr h GLU 288 N 0.10 0.00 -0.64 3.56 4.11 -1.06 -3.04 114.58 117.61 2wxr h GLU 288 Ca 0.17 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.60 2wxr h GLU 288 Cb 0.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.48 2wxr h GLU 288 CO -0.29 0.00 0.00 1.04 0.07 0.00 0.00 179.01 179.83 2wxr n GLN 289 N -2.67 3.43 -1.72 1.06 6.02 -1.00 -4.99 117.38 117.51 2wxr n GLN 289 Ca -0.01 -2.37 -0.34 0.00 -0.01 0.00 0.00 57.00 54.28 2wxr n GLN 289 Cb 0.15 -1.86 0.06 0.00 1.02 0.00 0.00 30.24 29.62 2wxr n GLN 289 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2wxr s SER 290 N -0.77 4.88 0.00 1.08 1.04 -1.15 -4.45 113.70 114.33 2wxr s SER 290 Ca 0.42 2.15 0.00 0.00 0.48 0.00 0.00 55.95 59.01 2wxr s SER 290 Cb 0.28 -2.57 0.00 0.00 0.10 0.00 0.00 66.02 63.83 2wxr s SER 290 CO 0.18 -1.79 0.00 0.59 0.98 0.00 0.00 173.24 173.20 2wxr n ASN 291 N -2.35 0.00 0.00 7.02 5.03 -1.26 -4.74 115.26 118.96 2wxr n ASN 291 Ca 0.12 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.57 2wxr n ASN 291 Cb 0.51 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.27 2wxr n ASN 291 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2wxr n LEU 316 N 0.00 0.00 0.24 3.41 -0.00 -1.26 -5.07 117.00 114.32 2wxr n LEU 316 Ca 0.00 0.00 0.08 0.00 -0.00 0.00 0.00 56.01 56.09 2wxr n LEU 316 Cb 0.00 0.00 0.62 0.00 -0.00 0.00 0.00 43.42 44.04 2wxr n LEU 316 CO 0.00 0.00 1.07 4.11 -0.00 0.00 0.00 177.39 182.57 2wxr h TRP 317 N 0.00 0.04 0.10 1.47 5.08 -1.93 -3.32 115.95 117.39 2wxr h TRP 317 Ca 0.00 0.00 0.01 0.00 1.08 0.00 0.00 58.89 59.98 2wxr h TRP 317 Cb 0.00 -0.01 -0.04 0.00 -3.00 0.00 0.00 29.16 26.11 2wxr h TRP 317 CO 0.00 0.03 -0.44 0.77 -1.28 0.00 0.00 178.44 177.52 2wxr h SER 318 N 0.04 -1.33 -0.85 0.11 0.02 -1.99 -3.42 113.55 106.13 2wxr h SER 318 Ca 0.01 0.14 -0.61 0.00 -0.84 0.00 0.00 61.79 60.49 2wxr h SER 318 Cb 0.01 0.49 -0.03 0.00 0.14 0.00 0.00 62.40 63.01 2wxr h SER 318 CO -0.00 -0.47 1.52 0.18 -1.14 0.00 0.00 176.83 176.92 2wxr n LEU 319 N -4.96 1.64 -0.02 5.07 4.77 -1.25 -4.86 117.00 117.39 2wxr n LEU 319 Ca -0.07 0.23 0.06 0.00 -0.03 0.00 0.00 56.01 56.20 2wxr n LEU 319 Cb 0.34 -1.21 -0.14 0.00 -2.33 0.00 0.00 43.42 40.08 2wxr n LEU 319 CO 0.13 -0.88 -0.78 1.21 -1.33 0.00 0.00 177.39 175.73 2wxr n GLU 320 N 8.34 0.68 -0.90 3.23 2.13 -1.26 -0.64 120.64 132.21 2wxr n GLU 320 Ca 0.47 -0.14 -0.31 0.00 0.66 0.00 0.00 57.16 57.84 2wxr n GLU 320 Cb 0.22 -1.44 0.15 0.00 0.27 0.00 0.00 31.44 30.64 2wxr n GLU 320 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2wxr s GLN 321 N -3.12 1.30 0.64 5.31 0.00 -1.26 -4.41 119.66 118.11 2wxr s GLN 321 Ca -0.07 1.33 -0.17 0.00 -0.00 0.00 0.00 55.36 56.45 2wxr s GLN 321 Cb 0.11 -1.78 -0.06 0.00 0.00 0.00 0.00 33.01 31.29 2wxr s GLN 321 CO 0.75 -2.37 0.66 -2.30 0.00 0.00 0.00 175.29 172.04 2wxr n PRO 322 N -4.03 0.53 -2.43 9.60 -0.02 -1.26 -2.38 135.00 135.02 2wxr n PRO 322 Ca 0.10 0.22 -0.31 0.00 -2.02 0.00 0.00 63.50 61.49 2wxr n PRO 322 Cb 0.53 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.10 2wxr n PRO 322 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2wxr s PHE 323 N -1.74 3.52 -0.30 6.00 5.36 0.51 -4.63 117.98 126.71 2wxr s PHE 323 Ca 0.70 1.20 -0.22 0.00 -0.96 0.00 0.00 56.93 57.65 2wxr s PHE 323 Cb -0.40 -2.60 0.20 0.00 -0.34 0.00 0.00 43.02 39.88 2wxr s PHE 323 CO 0.53 -0.36 1.38 -1.54 -1.46 0.00 0.00 175.22 173.77 2wxr s SER 324 N -3.54 -0.06 0.39 6.13 1.04 -1.26 0.13 113.70 116.54 2wxr s SER 324 Ca 0.54 0.10 0.02 0.00 0.48 0.00 0.00 55.95 57.09 2wxr s SER 324 Cb -0.10 0.40 -0.01 0.00 0.10 0.00 0.00 66.02 66.41 2wxr s SER 324 CO 0.39 -0.02 0.58 0.27 0.98 0.00 0.00 173.24 175.45 2wxr s ILE 325 N 0.36 4.40 -0.15 -1.02 -4.36 -1.04 -4.39 121.20 115.01 2wxr s ILE 325 Ca 0.02 -0.60 -0.10 0.00 -0.26 0.00 0.00 60.65 59.71 2wxr s ILE 325 Cb -0.04 -3.60 -0.05 0.00 1.25 0.00 0.00 42.46 40.02 2wxr s ILE 325 CO -0.14 -0.37 0.19 -0.70 0.24 0.00 0.00 174.94 174.17 2wxr s GLU 326 N -4.39 3.91 -0.47 0.37 2.12 -0.28 0.18 118.70 120.14 2wxr s GLU 326 Ca 0.44 -0.06 -0.18 0.00 0.36 0.00 0.00 54.97 55.53 2wxr s GLU 326 Cb -0.10 -3.32 0.05 0.00 0.26 0.00 0.00 34.13 31.02 2wxr s GLU 326 CO 0.36 0.49 0.51 -1.17 -0.54 0.00 0.00 175.26 174.91 2wxr s LEU 327 N -0.24 5.13 0.00 2.70 2.96 0.21 0.12 118.68 129.56 2wxr s LEU 327 Ca 0.14 -0.97 0.00 0.00 -0.22 0.00 0.00 54.13 53.08 2wxr s LEU 327 Cb -0.12 -2.36 0.00 0.00 0.50 0.00 0.00 46.19 44.21 2wxr s LEU 327 CO 0.03 -0.74 0.04 -0.38 -1.32 0.00 0.00 176.35 173.98 2wxr n ILE 328 N 5.45 0.00 -3.91 6.68 5.41 -1.02 -0.63 119.36 131.34 2wxr n ILE 328 Ca -0.08 0.15 -0.09 0.00 1.00 0.00 0.00 62.75 63.72 2wxr n ILE 328 Cb 0.45 -0.36 -0.01 0.00 -0.71 0.00 0.00 39.64 39.01 2wxr n ILE 328 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 176.55 174.72 2wxr s GLU 329 N -0.24 1.95 0.23 0.38 -1.05 -1.17 0.32 118.70 119.13 2wxr s GLU 329 Ca 0.00 -1.36 0.04 0.00 -0.15 0.00 0.00 54.97 53.50 2wxr s GLU 329 Cb 0.00 0.56 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 2wxr s GLU 329 CO 0.00 -0.88 0.21 0.41 0.95 0.00 0.00 175.26 175.96 2wxr n GLY 330 N -0.49 3.14 2.54 -3.83 0.00 0.69 -0.36 105.19 106.87 2wxr n GLY 330 Ca -0.04 -1.78 -0.14 0.00 0.00 0.00 0.00 46.02 44.06 2wxr n GLY 330 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wxr n ARG 331 N -0.43 0.80 0.00 1.61 0.00 -1.06 -1.83 116.66 115.75 2wxr n ARG 331 Ca 0.05 -2.33 0.00 0.00 -0.00 0.00 0.00 57.85 55.57 2wxr n ARG 331 Cb 0.41 -1.36 0.00 0.00 -0.00 0.00 0.00 32.46 31.52 2wxr n ARG 331 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.63 177.99 2wxr n LYS 332 N 1.33 0.00 0.00 2.89 -0.00 -1.26 -4.42 118.16 116.70 2wxr n LYS 332 Ca 0.13 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.44 2wxr n LYS 332 Cb 0.61 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.64 2wxr n LYS 332 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.40 178.95 2wxr n VAL 333 N 0.00 0.00 -0.96 0.58 3.14 -1.26 -4.67 118.33 115.15 2wxr n VAL 333 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wxr n VAL 333 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 2wxr n VAL 333 CO 0.00 0.00 0.00 -3.20 -6.46 0.00 0.00 176.83 167.17 2wxr n ASN 334 N 0.00 0.90 -4.08 6.55 5.15 -1.26 -5.15 115.26 117.37 2wxr n ASN 334 Ca 0.00 0.00 -0.18 0.00 -0.60 0.00 0.00 54.58 53.80 2wxr n ASN 334 Cb 0.00 0.00 -0.14 0.00 -0.53 0.00 0.00 39.78 39.11 2wxr n ASN 334 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2wxr s ALA 335 N -1.00 0.91 0.00 5.20 0.00 -1.26 -5.06 121.76 120.55 2wxr s ALA 335 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 51.96 51.34 2wxr s ALA 335 Cb 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 23.12 22.96 2wxr s ALA 335 CO 0.00 0.17 0.00 -0.12 0.00 0.00 0.00 175.76 175.81 2wxr n MET 339 N 2.28 0.00 -4.18 0.00 0.00 -1.26 -4.93 117.12 109.04 2wxr n MET 339 Ca -0.17 0.00 -0.22 0.00 0.00 0.00 0.00 57.70 57.31 2wxr n MET 339 Cb 0.56 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.72 2wxr n MET 339 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 175.97 176.12 2wxr s LYS 340 N -5.04 2.71 0.00 2.12 3.01 0.13 -1.37 119.74 121.30 2wxr s LYS 340 Ca 0.00 -1.18 0.07 0.00 -1.01 0.00 0.00 55.97 53.85 2wxr s LYS 340 Cb 0.00 -2.42 -0.02 0.00 -1.01 0.00 0.00 37.83 34.38 2wxr s LYS 340 CO 0.00 0.39 -0.22 -0.51 0.51 0.00 0.00 175.35 175.51 2wxr s LEU 341 N -3.79 2.08 0.03 3.17 1.43 0.54 0.47 118.68 122.61 2wxr s LEU 341 Ca 0.32 -0.45 0.01 0.00 -1.03 0.00 0.00 54.13 52.98 2wxr s LEU 341 Cb -0.07 -1.13 -0.02 0.00 0.03 0.00 0.00 46.19 44.99 2wxr s LEU 341 CO 0.23 0.25 -0.04 -0.69 0.23 0.00 0.00 176.35 176.33 2wxr s VAL 342 N -0.61 0.26 0.00 -1.59 1.01 -0.93 -2.13 120.40 116.42 2wxr s VAL 342 Ca 0.09 -1.12 0.02 0.00 0.00 0.00 0.00 61.98 60.97 2wxr s VAL 342 Cb -0.09 -0.58 -0.03 0.00 0.00 0.00 0.00 36.38 35.68 2wxr s VAL 342 CO -0.00 -0.55 -0.03 -0.69 0.00 0.00 0.00 175.10 173.82 2wxr s VAL 343 N -1.86 3.89 0.12 2.92 1.01 -1.26 -2.34 120.40 122.88 2wxr s VAL 343 Ca -0.10 -0.70 0.10 0.00 0.00 0.00 0.00 61.98 61.27 2wxr s VAL 343 Cb -0.07 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.55 2wxr s VAL 343 CO -0.02 0.38 -0.24 -1.58 0.00 0.00 0.00 175.10 173.64 2wxr s GLN 344 N -1.52 1.26 -0.02 2.72 0.74 0.28 -0.32 119.66 122.81 2wxr s GLN 344 Ca 0.18 -1.26 -0.04 0.00 0.05 0.00 0.00 55.36 54.29 2wxr s GLN 344 Cb -0.11 -1.64 0.00 0.00 1.10 0.00 0.00 33.01 32.36 2wxr s GLN 344 CO 0.09 0.38 0.08 0.00 -0.55 0.00 0.00 175.29 175.30 2wxr s ALA 345 N -1.15 -0.19 -0.00 1.58 0.00 -0.98 -0.99 121.76 120.03 2wxr s ALA 345 Ca 0.10 0.01 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 2wxr s ALA 345 Cb -0.10 -0.03 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 2wxr s ALA 345 CO 0.05 -0.11 0.11 0.20 0.00 0.00 0.00 175.76 176.01 2wxr s GLY 346 N -0.59 0.06 -0.31 0.00 0.00 -0.93 -1.95 107.32 103.61 2wxr s GLY 346 Ca -0.07 -0.15 -0.16 0.00 0.00 0.00 0.00 44.72 44.35 2wxr s GLY 346 CO 0.00 -0.27 0.39 1.08 0.00 0.00 0.00 173.10 174.31 2wxr s LEU 347 N -1.20 4.22 -0.07 0.66 1.43 -1.26 -2.43 118.68 120.03 2wxr s LEU 347 Ca -0.13 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.07 2wxr s LEU 347 Cb -0.07 -2.43 -0.02 0.00 0.03 0.00 0.00 46.19 43.70 2wxr s LEU 347 CO 0.01 -0.28 -0.16 -0.36 0.23 0.00 0.00 176.35 175.79 2wxr s PHE 348 N 2.11 2.68 -0.92 0.29 0.08 0.31 0.01 117.98 122.53 2wxr s PHE 348 Ca 0.15 -0.35 -0.02 0.00 0.12 0.00 0.00 56.93 56.82 2wxr s PHE 348 Cb -0.16 -1.67 0.23 0.00 -0.57 0.00 0.00 43.02 40.85 2wxr s PHE 348 CO 0.11 0.04 0.83 1.58 -0.10 0.00 0.00 175.22 177.67 2wxr n HIS 349 N 2.68 4.26 0.00 0.36 -0.00 -1.01 -1.21 115.22 120.30 2wxr n HIS 349 Ca -0.17 -4.09 0.00 0.00 -0.00 0.00 0.00 57.72 53.46 2wxr n HIS 349 Cb 0.52 -1.17 0.00 0.00 -0.00 0.00 0.00 29.99 29.34 2wxr n HIS 349 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2wxr n GLY 350 N 2.27 0.58 0.15 1.57 0.00 -1.26 -3.83 105.19 104.67 2wxr n GLY 350 Ca 0.22 -0.66 -0.10 0.00 0.00 0.00 0.00 46.02 45.49 2wxr n GLY 350 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 2wxr h ASN 351 N 0.00 0.40 -3.40 1.61 2.35 -1.91 -3.46 115.58 111.17 2wxr h ASN 351 Ca 0.00 -0.12 -0.55 0.00 -0.55 0.00 0.00 56.30 55.09 2wxr h ASN 351 Cb 0.00 -0.10 -0.04 0.00 0.05 0.00 0.00 38.32 38.23 2wxr h ASN 351 CO 0.00 0.40 -0.00 -1.61 -1.65 0.00 0.00 177.43 174.57 2wxr s GLU 352 N -5.75 4.12 0.24 0.81 8.01 -1.25 -5.05 118.70 119.83 2wxr s GLU 352 Ca -0.13 0.67 -0.30 0.00 0.01 0.00 0.00 54.97 55.22 2wxr s GLU 352 Cb 0.09 -2.96 -0.09 0.00 -4.31 0.00 0.00 34.13 26.86 2wxr s GLU 352 CO 0.72 0.47 1.30 -1.64 0.01 0.00 0.00 175.26 176.12 2wxr s MET 353 N -1.83 4.40 0.00 1.61 -1.94 -1.26 -2.40 119.30 117.88 2wxr s MET 353 Ca 0.38 2.08 0.27 0.00 -1.71 0.00 0.00 55.69 56.71 2wxr s MET 353 Cb -0.16 -3.16 1.25 0.00 2.01 0.00 0.00 34.83 34.76 2wxr s MET 353 CO 0.20 -0.20 1.84 1.28 -0.01 0.00 0.00 175.02 178.13 2wxr n LEU 354 N 2.08 0.91 0.00 -0.03 4.77 0.10 -4.89 117.00 119.94 2wxr n LEU 354 Ca 0.04 -0.33 0.00 0.00 -0.03 0.00 0.00 56.01 55.69 2wxr n LEU 354 Cb 0.43 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.50 2wxr n LEU 354 CO 0.58 0.16 0.00 0.00 -1.33 0.00 0.00 177.39 176.80 2wxr n LYS 356 N -0.01 1.06 -1.36 0.00 0.00 -1.26 -4.67 118.16 111.91 2wxr n LYS 356 Ca 0.00 0.42 -0.29 0.00 -0.00 0.00 0.00 58.31 58.44 2wxr n LYS 356 Cb 0.00 -2.47 0.16 0.00 -0.00 0.00 0.00 35.03 32.73 2wxr n LYS 356 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 2wxr s THR 357 N -1.41 1.98 -0.04 0.58 -4.23 -1.26 -4.80 115.64 106.46 2wxr s THR 357 Ca 0.82 0.00 -0.04 0.00 -1.18 0.00 0.00 61.69 61.28 2wxr s THR 357 Cb -0.39 -2.63 0.01 0.00 1.34 0.00 0.00 72.50 70.83 2wxr s THR 357 CO 0.41 0.00 0.12 0.68 -0.54 0.00 0.00 174.62 175.29 2wxr s VAL 358 N -3.14 0.02 0.41 2.29 -7.23 -0.82 -5.02 120.40 106.90 2wxr s VAL 358 Ca 0.65 -0.15 0.08 0.00 -1.81 0.00 0.00 61.98 60.74 2wxr s VAL 358 Cb -0.16 -0.22 -0.02 0.00 0.56 0.00 0.00 36.38 36.54 2wxr s VAL 358 CO 0.55 -0.08 0.36 -0.44 -0.31 0.00 0.00 175.10 175.18 2wxr s SER 359 N -0.23 5.05 0.89 4.85 0.01 -1.26 -2.31 113.70 120.69 2wxr s SER 359 Ca -0.03 -0.73 -0.11 0.00 1.31 0.00 0.00 55.95 56.38 2wxr s SER 359 Cb -0.02 -0.61 0.18 0.00 0.21 0.00 0.00 66.02 65.78 2wxr s SER 359 CO 0.00 -0.61 1.23 -0.44 0.41 0.00 0.00 173.24 173.82 2wxr s SER 360 N -4.11 3.47 -0.06 2.44 0.01 0.56 -4.98 113.70 111.04 2wxr s SER 360 Ca 0.47 0.06 -0.11 0.00 1.31 0.00 0.00 55.95 57.68 2wxr s SER 360 Cb -0.03 -0.20 -0.05 0.00 0.21 0.00 0.00 66.02 65.95 2wxr s SER 360 CO 0.27 -2.48 0.28 -0.94 0.41 0.00 0.00 173.24 170.79 2wxr s SER 361 N -4.85 6.61 -0.02 2.44 1.04 -1.26 -4.83 113.70 112.84 2wxr s SER 361 Ca 0.72 0.73 -0.34 0.00 0.48 0.00 0.00 55.95 57.54 2wxr s SER 361 Cb -0.04 -2.17 -0.12 0.00 0.10 0.00 0.00 66.02 63.79 2wxr s SER 361 CO 0.50 0.36 1.81 -0.62 0.98 0.00 0.00 173.24 176.28 2wxr n GLU 362 N 1.91 2.22 -4.49 4.02 1.02 -1.26 -4.80 120.64 119.26 2wxr n GLU 362 Ca -0.17 0.81 -0.21 0.00 -0.02 0.00 0.00 57.16 57.57 2wxr n GLU 362 Cb 0.54 -2.65 -0.15 0.00 -0.02 0.00 0.00 31.44 29.16 2wxr n GLU 362 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 2wxr s VAL 363 N 3.29 0.92 0.87 2.62 1.01 -0.91 -4.94 120.40 123.26 2wxr s VAL 363 Ca 0.89 -0.45 -0.13 0.00 0.00 0.00 0.00 61.98 62.29 2wxr s VAL 363 Cb -0.67 -0.80 0.06 0.00 0.00 0.00 0.00 36.38 34.97 2wxr s VAL 363 CO 0.47 0.28 0.79 0.59 0.00 0.00 0.00 175.10 177.23 2wxr n ASN 364 N 3.13 -0.64 -0.08 3.32 3.02 -1.26 0.20 115.26 122.94 2wxr n ASN 364 Ca -0.17 0.45 0.00 0.00 -0.03 0.00 0.00 54.58 54.83 2wxr n ASN 364 Cb 0.55 -1.34 0.00 0.00 -0.61 0.00 0.00 39.78 38.37 2wxr n ASN 364 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wxr n VAL 365 N -3.49 0.00 -1.52 2.41 0.31 -0.47 -4.47 118.33 111.10 2wxr n VAL 365 Ca 0.10 0.00 -0.60 0.00 -0.01 0.00 0.00 64.34 63.83 2wxr n VAL 365 Cb 0.52 -0.42 -0.08 0.00 -0.91 0.00 0.00 33.84 32.95 2wxr n VAL 365 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wxr n SER 367 N 1.72 0.00 -2.04 0.00 7.64 -1.26 -4.09 113.62 115.59 2wxr n SER 367 Ca 0.21 0.00 -0.18 0.00 1.01 0.00 0.00 58.87 59.91 2wxr n SER 367 Cb 0.07 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.25 2wxr n SER 367 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2wxr n GLU 368 N 0.00 -1.45 -0.79 1.43 4.07 -1.26 -4.32 120.64 118.31 2wxr n GLU 368 Ca 0.00 0.92 -0.29 0.00 -0.06 0.00 0.00 57.16 57.73 2wxr n GLU 368 Cb 0.00 -5.42 0.22 0.00 -0.06 0.00 0.00 31.44 26.17 2wxr n GLU 368 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2wxr s PRO 369 N -4.78 -0.24 -0.07 5.31 0.04 -0.76 -4.58 135.00 129.91 2wxr s PRO 369 Ca 0.00 0.79 -0.06 0.00 0.04 0.00 0.00 61.00 61.77 2wxr s PRO 369 Cb 0.00 -1.64 0.02 0.00 0.04 0.00 0.00 34.50 32.93 2wxr s PRO 369 CO 0.00 -3.26 0.18 0.08 0.04 0.00 0.00 177.00 174.05 2wxr s VAL 370 N -2.66 -0.01 0.00 -0.36 1.01 -1.26 -0.23 120.40 116.89 2wxr s VAL 370 Ca 0.67 0.04 0.00 0.00 0.00 0.00 0.00 61.98 62.69 2wxr s VAL 370 Cb -0.22 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 35.88 2wxr s VAL 370 CO 0.61 0.02 0.00 0.79 0.00 0.00 0.00 175.10 176.52 2wxr n TRP 371 N 3.31 0.00 -2.09 5.22 8.01 0.97 -4.93 117.44 127.93 2wxr n TRP 371 Ca -0.16 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.03 2wxr n TRP 371 Cb 0.57 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.87 2wxr n TRP 371 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.69 178.31 2wxr n LYS 372 N -1.56 -0.71 -4.50 -0.99 5.02 0.19 -4.90 118.16 110.72 2wxr n LYS 372 Ca 0.00 -0.16 -0.34 0.00 -2.02 0.00 0.00 58.31 55.79 2wxr n LYS 372 Cb 0.28 0.29 -0.11 0.00 -0.02 0.00 0.00 35.03 35.47 2wxr n LYS 372 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 2wxr s GLN 373 N -2.66 3.08 0.41 1.97 -0.21 -0.50 -4.93 119.66 116.81 2wxr s GLN 373 Ca 0.00 -0.50 -0.25 0.00 0.02 0.00 0.00 55.36 54.63 2wxr s GLN 373 Cb 0.00 -2.74 -0.08 0.00 1.00 0.00 0.00 33.01 31.19 2wxr s GLN 373 CO 0.00 0.55 1.19 1.03 -2.12 0.00 0.00 175.29 175.94 2wxr s ARG 374 N -0.49 4.00 -0.21 2.91 1.81 -1.26 0.67 118.95 126.39 2wxr s ARG 374 Ca 0.08 1.88 0.01 0.00 -1.72 0.00 0.00 55.73 55.98 2wxr s ARG 374 Cb -0.12 -2.65 0.04 0.00 -0.45 0.00 0.00 34.95 31.77 2wxr s ARG 374 CO 0.02 -0.38 -0.14 -0.51 -0.68 0.00 0.00 175.30 173.61 2wxr s LEU 375 N -2.55 2.53 -0.11 2.53 1.43 0.13 -4.88 118.68 117.75 2wxr s LEU 375 Ca 0.58 -0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 2wxr s LEU 375 Cb -0.32 -1.40 -0.03 0.00 0.03 0.00 0.00 46.19 44.47 2wxr s LEU 375 CO 0.40 -0.11 0.68 -0.70 0.23 0.00 0.00 176.35 176.85 2wxr s GLU 376 N 1.28 4.37 -0.16 1.70 2.12 -1.26 -2.50 118.70 124.25 2wxr s GLU 376 Ca -0.01 0.81 -0.10 0.00 0.36 0.00 0.00 54.97 56.03 2wxr s GLU 376 Cb -0.16 -3.49 -0.05 0.00 0.26 0.00 0.00 34.13 30.70 2wxr s GLU 376 CO -0.09 -0.03 0.17 -0.06 -0.54 0.00 0.00 175.26 174.71 2wxr s PHE 377 N 1.15 3.48 -1.46 5.30 0.08 0.36 -4.97 117.98 121.93 2wxr s PHE 377 Ca 0.35 0.46 -0.10 0.00 0.12 0.00 0.00 56.93 57.76 2wxr s PHE 377 Cb -0.17 -2.14 0.03 0.00 -0.57 0.00 0.00 43.02 40.17 2wxr s PHE 377 CO 0.15 0.42 2.47 -3.47 -0.10 0.00 0.00 175.22 174.69 2wxr n ASP 378 N 3.03 6.69 -3.59 1.36 2.03 -1.26 -3.34 116.55 121.47 2wxr n ASP 378 Ca -0.16 -2.85 -0.07 0.00 0.52 0.00 0.00 54.79 52.23 2wxr n ASP 378 Cb 0.53 -1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 39.36 2wxr n ASP 378 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2wxr s ILE 379 N 1.46 0.00 0.04 5.18 2.07 -1.26 -4.81 121.20 123.88 2wxr s ILE 379 Ca 0.55 0.00 -0.16 0.00 -1.41 0.00 0.00 60.65 59.64 2wxr s ILE 379 Cb 0.16 -1.00 -0.06 0.00 0.13 0.00 0.00 42.46 41.69 2wxr s ILE 379 CO -0.06 0.00 0.46 -0.55 -1.91 0.00 0.00 174.94 172.88 2wxr s SER 380 N -1.38 6.87 0.33 4.50 0.15 -1.26 -0.36 113.70 122.54 2wxr s SER 380 Ca 0.04 1.04 0.03 0.00 0.70 0.00 0.00 55.95 57.77 2wxr s SER 380 Cb -0.01 -2.28 0.58 0.00 -1.71 0.00 0.00 66.02 62.61 2wxr s SER 380 CO -0.03 0.28 1.88 0.58 1.20 0.00 0.00 173.24 177.16 2wxr h VAL 381 N 3.53 1.19 0.00 4.45 2.07 -1.56 0.31 116.25 126.24 2wxr h VAL 381 Ca -0.51 -0.73 0.00 0.00 0.82 0.00 0.00 66.70 66.29 2wxr h VAL 381 Cb 1.21 0.83 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2wxr h VAL 381 CO 0.63 0.26 0.00 0.00 0.02 0.00 0.00 177.57 178.47 2wxr h ASP 383 N 0.00 0.19 -1.39 0.00 3.45 -1.20 -3.43 116.42 114.04 2wxr h ASP 383 Ca 0.00 -0.33 -0.76 0.00 0.43 0.00 0.00 57.03 56.37 2wxr h ASP 383 Cb 0.16 -0.06 0.03 0.00 -0.56 0.00 0.00 39.33 38.90 2wxr h ASP 383 CO 0.00 1.29 0.65 0.18 -1.57 0.00 0.00 179.24 179.79 2wxr n LEU 384 N -3.28 1.67 -4.83 1.55 4.77 -1.07 -3.95 117.00 111.86 2wxr n LEU 384 Ca -0.18 1.12 -0.31 0.00 -0.03 0.00 0.00 56.01 56.61 2wxr n LEU 384 Cb 1.04 -1.07 0.03 0.00 -2.33 0.00 0.00 43.42 41.09 2wxr n LEU 384 CO 0.46 -0.84 0.71 -2.16 -1.33 0.00 0.00 177.39 174.23 2wxr s PRO 385 N 2.30 3.14 0.51 3.23 0.04 -1.26 -4.89 135.00 138.08 2wxr s PRO 385 Ca 0.96 0.96 0.42 0.00 0.04 0.00 0.00 61.00 63.37 2wxr s PRO 385 Cb -1.16 -2.02 1.62 0.00 0.04 0.00 0.00 34.50 32.98 2wxr s PRO 385 CO 0.64 -0.94 1.60 -0.09 0.04 0.00 0.00 177.00 178.26 2wxr h ARG 386 N -0.42 0.02 -0.24 4.56 9.65 -1.96 0.31 114.38 126.29 2wxr h ARG 386 Ca -0.44 -0.00 -0.05 0.00 -1.10 0.00 0.00 59.98 58.38 2wxr h ARG 386 Cb 1.21 -0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.75 2wxr h ARG 386 CO 0.58 0.01 -0.03 -1.33 2.80 0.00 0.00 179.97 182.00 2wxr n MET 387 N -4.25 2.32 -1.73 0.20 2.81 -1.26 -4.66 117.12 110.55 2wxr n MET 387 Ca 0.41 -2.91 -0.64 0.00 -1.81 0.00 0.00 57.70 52.75 2wxr n MET 387 Cb 1.76 -1.78 -0.09 0.00 -0.71 0.00 0.00 33.22 32.40 2wxr n MET 387 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxr n ALA 388 N -0.85 -0.96 -3.73 3.04 0.00 0.11 -4.81 120.51 113.30 2wxr n ALA 388 Ca 0.24 0.46 -0.33 0.00 0.00 0.00 0.00 53.44 53.81 2wxr n ALA 388 Cb 0.89 -2.04 -0.16 0.00 0.00 0.00 0.00 19.45 18.14 2wxr n ALA 388 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2wxr s ARG 389 N 3.11 3.03 -0.22 0.00 3.52 -0.35 -1.34 118.95 126.69 2wxr s ARG 389 Ca 1.02 -0.84 -0.07 0.00 -0.13 0.00 0.00 55.73 55.71 2wxr s ARG 389 Cb -1.32 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 29.57 2wxr s ARG 389 CO 0.75 -0.05 0.04 -1.17 -0.81 0.00 0.00 175.30 174.06 2wxr s LEU 390 N 0.90 3.43 -0.09 -0.88 2.96 0.09 -0.53 118.68 124.55 2wxr s LEU 390 Ca -0.05 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 2wxr s LEU 390 Cb -0.15 -1.89 0.00 0.00 0.50 0.00 0.00 46.19 44.65 2wxr s LEU 390 CO -0.04 0.03 -0.20 0.00 -1.32 0.00 0.00 176.35 174.82 2wxr s PHE 392 N 0.46 2.66 -0.02 0.00 0.08 -0.27 -2.20 117.98 118.69 2wxr s PHE 392 Ca -0.17 -0.19 0.03 0.00 0.12 0.00 0.00 56.93 56.71 2wxr s PHE 392 Cb -0.17 -1.56 -0.00 0.00 -0.57 0.00 0.00 43.02 40.72 2wxr s PHE 392 CO 0.07 0.22 -0.10 0.00 -0.10 0.00 0.00 175.22 175.32 2wxr s ALA 393 N -0.83 0.87 -0.08 5.36 0.00 -0.16 -2.06 121.76 124.85 2wxr s ALA 393 Ca 0.13 -0.39 0.02 0.00 0.00 0.00 0.00 51.96 51.72 2wxr s ALA 393 Cb -0.11 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.75 2wxr s ALA 393 CO 0.03 0.18 -0.13 -1.17 0.00 0.00 0.00 175.76 174.67 2wxr s LEU 394 N -0.02 1.64 0.14 0.00 0.20 -0.37 -0.55 118.68 119.71 2wxr s LEU 394 Ca 0.00 -0.33 -0.09 0.00 0.69 0.00 0.00 54.13 54.41 2wxr s LEU 394 Cb -0.06 -0.89 -0.01 0.00 -0.43 0.00 0.00 46.19 44.80 2wxr s LEU 394 CO 0.00 0.03 0.24 -0.72 -0.29 0.00 0.00 176.35 175.61 2wxr s TYR 395 N 0.77 0.33 0.31 5.38 -0.85 -0.99 -1.79 117.35 120.51 2wxr s TYR 395 Ca -0.12 -0.71 0.03 0.00 -0.52 0.00 0.00 57.07 55.74 2wxr s TYR 395 Cb -0.16 -0.07 -0.03 0.00 0.38 0.00 0.00 41.96 42.09 2wxr s TYR 395 CO 0.02 -0.65 0.48 0.00 -1.52 0.00 0.00 175.55 173.88 2wxr s ALA 396 N -3.93 3.84 -0.10 9.51 0.00 0.77 -2.19 121.76 129.67 2wxr s ALA 396 Ca 0.13 -1.10 -0.30 0.00 0.00 0.00 0.00 51.96 50.70 2wxr s ALA 396 Cb 0.04 -1.92 0.11 0.00 0.00 0.00 0.00 23.12 21.34 2wxr s ALA 396 CO -0.04 0.05 0.91 0.54 0.00 0.00 0.00 175.76 177.22 2wxr s VAL 397 N -2.19 0.00 0.02 0.00 0.11 0.18 -0.35 120.40 118.16 2wxr s VAL 397 Ca 0.39 0.00 0.10 0.00 -2.93 0.00 0.00 61.98 59.54 2wxr s VAL 397 Cb -0.09 -1.00 -0.22 0.00 -1.53 0.00 0.00 36.38 33.53 2wxr s VAL 397 CO 0.33 0.00 0.90 -0.37 -3.33 0.00 0.00 175.10 172.63 2wxr h VAL 398 N 2.49 1.18 -3.45 2.04 -1.51 -1.96 0.37 116.25 115.42 2wxr h VAL 398 Ca -0.21 -2.98 -0.63 0.00 -1.23 0.00 0.00 66.70 61.65 2wxr h VAL 398 Cb 1.18 2.58 -0.33 0.00 -2.13 0.00 0.00 31.29 32.59 2wxr h VAL 398 CO 0.33 0.67 -0.86 -1.81 -1.23 0.00 0.00 177.57 174.67 2wxr s ASP 415 N -6.33 2.70 -0.19 4.19 -0.00 -1.26 -4.81 116.67 110.97 2wxr s ASP 415 Ca -0.03 -0.48 -0.04 0.00 -0.00 0.00 0.00 52.55 52.01 2wxr s ASP 415 Cb 0.09 -1.17 0.09 0.00 -0.00 0.00 0.00 42.92 41.93 2wxr s ASP 415 CO 0.82 0.13 0.28 0.00 -0.00 0.00 0.00 175.17 176.40 2wxr s PRO 417 N 2.42 3.86 0.00 0.00 0.04 -1.26 0.27 135.00 140.33 2wxr s PRO 417 Ca 0.06 0.33 0.00 0.00 0.04 0.00 0.00 61.00 61.43 2wxr s PRO 417 Cb -0.14 -2.88 0.00 0.00 0.04 0.00 0.00 34.50 31.52 2wxr s PRO 417 CO -0.12 0.46 0.00 -0.89 0.04 0.00 0.00 177.00 176.49 2wxr n ILE 418 N 0.59 0.00 -3.59 0.56 5.41 -0.74 -4.71 119.36 116.88 2wxr n ILE 418 Ca -0.05 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.62 2wxr n ILE 418 Cb 0.52 -0.72 -0.02 0.00 -0.71 0.00 0.00 39.64 38.72 2wxr n ILE 418 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2wxr s ALA 419 N -1.83 -1.59 0.15 -1.39 0.00 -0.99 -1.76 121.76 114.35 2wxr s ALA 419 Ca 0.00 0.40 -0.09 0.00 0.00 0.00 0.00 51.96 52.27 2wxr s ALA 419 Cb 0.00 0.72 -0.01 0.00 0.00 0.00 0.00 23.12 23.83 2wxr s ALA 419 CO 0.00 -0.85 0.27 1.67 0.00 0.00 0.00 175.76 176.85 2wxr s TRP 420 N -3.54 0.33 -0.13 0.00 1.48 -0.19 -1.23 118.94 115.66 2wxr s TRP 420 Ca 0.06 -0.71 -0.31 0.00 -1.06 0.00 0.00 56.10 54.08 2wxr s TRP 420 Cb -0.02 -0.05 0.13 0.00 -1.16 0.00 0.00 33.47 32.37 2wxr s TRP 420 CO -0.05 -0.69 1.05 0.00 -4.06 0.00 0.00 176.95 173.19 2wxr s ALA 421 N -3.94 -1.95 0.14 2.67 0.00 -0.88 -1.25 121.76 116.55 2wxr s ALA 421 Ca 0.14 1.42 0.08 0.00 0.00 0.00 0.00 51.96 53.61 2wxr s ALA 421 Cb 0.04 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.88 2wxr s ALA 421 CO -0.02 -0.51 -0.18 -0.80 0.00 0.00 0.00 175.76 174.25 2wxr s ASN 422 N -1.85 2.47 0.03 0.00 0.01 -1.26 -1.12 114.94 113.22 2wxr s ASN 422 Ca 0.04 -0.81 0.02 0.00 -0.71 0.00 0.00 52.86 51.40 2wxr s ASN 422 Cb -0.01 -0.13 -0.02 0.00 0.41 0.00 0.00 41.25 41.50 2wxr s ASN 422 CO -0.04 -0.04 -0.06 -1.48 -1.51 0.00 0.00 177.10 173.96 2wxr s LEU 423 N -2.43 2.21 0.34 0.60 0.05 -0.08 -4.31 118.68 115.07 2wxr s LEU 423 Ca 0.12 -0.47 -0.29 0.00 0.05 0.00 0.00 54.13 53.54 2wxr s LEU 423 Cb -0.07 -0.12 -0.10 0.00 -2.05 0.00 0.00 46.19 43.85 2wxr s LEU 423 CO 0.05 -0.19 1.35 -0.04 -0.55 0.00 0.00 176.35 176.97 2wxr s MET 424 N -1.33 4.31 0.13 1.48 -1.94 -1.26 -0.74 119.30 119.95 2wxr s MET 424 Ca -0.09 2.29 -0.06 0.00 -1.71 0.00 0.00 55.69 56.12 2wxr s MET 424 Cb -0.09 -3.05 -0.08 0.00 2.01 0.00 0.00 34.83 33.62 2wxr s MET 424 CO 0.00 -0.26 1.32 -0.07 -0.01 0.00 0.00 175.02 176.00 2wxr h LEU 425 N 3.34 0.62 -9.87 -0.03 3.38 -1.56 -3.44 115.31 107.75 2wxr h LEU 425 Ca -0.49 -0.46 -0.60 0.00 0.09 0.00 0.00 57.88 56.42 2wxr h LEU 425 Cb 1.23 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 41.75 2wxr h LEU 425 CO 0.65 1.25 -0.33 -0.36 0.09 0.00 0.00 178.44 179.74 2wxr s PHE 426 N -3.41 3.53 0.00 1.13 0.08 -1.26 -1.98 117.98 116.06 2wxr s PHE 426 Ca -0.07 0.59 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2wxr s PHE 426 Cb 0.09 -2.01 0.00 0.00 -0.57 0.00 0.00 43.02 40.53 2wxr s PHE 426 CO 0.87 0.51 0.00 -0.40 -0.10 0.00 0.00 175.22 176.11 2wxr n ASP 427 N 0.57 -0.97 -0.24 1.36 5.75 0.20 -4.90 116.55 118.33 2wxr n ASP 427 Ca -0.06 -0.44 0.15 0.00 -0.01 0.00 0.00 54.79 54.43 2wxr n ASP 427 Cb 0.52 0.00 0.71 0.00 -1.03 0.00 0.00 41.12 41.32 2wxr n ASP 427 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 2wxr n TYR 428 N -2.37 0.00 -1.93 2.11 4.11 -1.26 -3.37 117.16 114.45 2wxr n TYR 428 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.90 57.64 2wxr n TYR 428 Cb 0.00 -0.03 0.03 0.00 -0.00 0.00 0.00 39.34 39.34 2wxr n TYR 428 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.86 178.49 2wxr n LYS 429 N -0.46 3.47 -0.07 -3.48 4.76 -1.26 -4.95 118.16 116.18 2wxr n LYS 429 Ca 0.20 -4.05 0.00 0.00 -2.87 0.00 0.00 58.31 51.60 2wxr n LYS 429 Cb 0.25 -2.28 0.00 0.00 -1.84 0.00 0.00 35.03 31.16 2wxr n LYS 429 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 2wxr n ASP 430 N -0.73 0.00 -4.71 4.39 8.00 -1.22 -4.87 116.55 117.40 2wxr n ASP 430 Ca 0.47 0.00 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 2wxr n ASP 430 Cb 0.91 -1.58 -0.03 0.00 -0.02 0.00 0.00 41.12 40.41 2wxr n ASP 430 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2wxr s GLN 431 N -0.12 4.40 0.54 -1.24 0.74 -1.26 -2.11 119.66 120.61 2wxr s GLN 431 Ca 0.00 1.86 -0.22 0.00 0.05 0.00 0.00 55.36 57.05 2wxr s GLN 431 Cb 0.00 -3.32 -0.05 0.00 1.10 0.00 0.00 33.01 30.74 2wxr s GLN 431 CO 0.00 -0.31 1.37 -1.17 -0.55 0.00 0.00 175.29 174.63 2wxr s LEU 432 N 1.07 3.86 0.18 3.68 2.96 -0.83 -0.63 118.68 128.97 2wxr s LEU 432 Ca 0.60 2.79 -0.17 0.00 -0.22 0.00 0.00 54.13 57.13 2wxr s LEU 432 Cb -0.32 -4.25 -0.08 0.00 0.50 0.00 0.00 46.19 42.04 2wxr s LEU 432 CO 0.29 -1.57 0.64 -0.54 -1.32 0.00 0.00 176.35 173.86 2wxr s LYS 433 N -2.89 4.14 0.11 1.98 1.02 -0.84 -4.79 119.74 118.47 2wxr s LYS 433 Ca 0.71 0.71 -0.23 0.00 0.02 0.00 0.00 55.97 57.18 2wxr s LYS 433 Cb -0.41 -2.93 0.06 0.00 -0.52 0.00 0.00 37.83 34.03 2wxr s LYS 433 CO 0.49 0.45 0.57 0.95 -0.92 0.00 0.00 175.35 176.89 2wxr s THR 434 N -1.46 0.01 0.00 2.17 -4.23 -1.26 -4.66 115.64 106.21 2wxr s THR 434 Ca 0.40 -0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.77 2wxr s THR 434 Cb -0.16 -1.02 -0.01 0.00 1.34 0.00 0.00 72.50 72.65 2wxr s THR 434 CO 0.20 -0.07 -0.03 0.61 -0.54 0.00 0.00 174.62 174.79 2wxr n GLY 435 N -0.04 -0.11 3.79 3.99 0.00 -1.23 -5.02 105.19 106.57 2wxr n GLY 435 Ca -0.17 -0.03 -0.39 0.00 0.00 0.00 0.00 46.02 45.43 2wxr n GLY 435 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2wxr s GLU 436 N -1.39 4.24 0.01 1.61 2.12 -1.26 0.33 118.70 124.35 2wxr s GLU 436 Ca -0.03 0.69 0.06 0.00 0.36 0.00 0.00 54.97 56.06 2wxr s GLU 436 Cb 0.00 -3.29 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2wxr s GLU 436 CO 0.04 0.50 -0.19 1.03 -0.54 0.00 0.00 175.26 176.10 2wxr s ARG 437 N -0.61 1.42 -0.13 4.30 3.00 0.53 -4.94 118.95 122.51 2wxr s ARG 437 Ca 0.29 -0.77 -0.07 0.00 0.00 0.00 0.00 55.73 55.18 2wxr s ARG 437 Cb -0.18 -1.43 -0.04 0.00 0.00 0.00 0.00 34.95 33.29 2wxr s ARG 437 CO 0.17 0.38 0.14 0.00 0.00 0.00 0.00 175.30 175.99 2wxr s LEU 439 N -0.83 1.31 -0.46 0.00 1.43 0.82 -4.92 118.68 116.04 2wxr s LEU 439 Ca 0.14 -0.93 -0.23 0.00 -1.03 0.00 0.00 54.13 52.08 2wxr s LEU 439 Cb -0.12 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.50 2wxr s LEU 439 CO 0.03 -0.32 0.76 -0.31 0.23 0.00 0.00 176.35 176.74 2wxr s TYR 440 N 1.83 2.99 0.43 0.29 2.02 -1.26 -0.58 117.35 123.07 2wxr s TYR 440 Ca 0.00 0.07 -0.09 0.00 -0.37 0.00 0.00 57.07 56.68 2wxr s TYR 440 Cb -0.17 -3.63 -0.06 0.00 -0.40 0.00 0.00 41.96 37.70 2wxr s TYR 440 CO -0.11 -1.00 0.79 -1.64 -1.57 0.00 0.00 175.55 172.02 2wxr s MET 441 N 3.22 3.72 -0.14 -0.62 -1.94 0.80 -0.58 119.30 123.78 2wxr s MET 441 Ca 0.28 0.43 -0.06 0.00 -1.71 0.00 0.00 55.69 54.62 2wxr s MET 441 Cb -0.13 -2.37 -0.04 0.00 2.01 0.00 0.00 34.83 34.30 2wxr s MET 441 CO 0.21 -0.10 0.10 -1.58 -0.01 0.00 0.00 175.02 173.64 2wxr s TRP 442 N -2.49 3.42 0.81 -0.03 0.52 -0.38 -4.47 118.94 116.32 2wxr s TRP 442 Ca 0.51 0.35 -0.11 0.00 0.02 0.00 0.00 56.10 56.86 2wxr s TRP 442 Cb -0.10 -1.97 0.08 0.00 -1.15 0.00 0.00 33.47 30.33 2wxr s TRP 442 CO 0.35 0.51 1.09 -1.25 0.02 0.00 0.00 176.95 177.67 2wxr s PRO 443 N -0.54 1.99 0.52 4.98 0.04 -1.26 -1.02 135.00 139.71 2wxr s PRO 443 Ca 0.11 0.84 0.07 0.00 0.04 0.00 0.00 61.00 62.06 2wxr s PRO 443 Cb -0.12 -1.89 0.05 0.00 0.04 0.00 0.00 34.50 32.58 2wxr s PRO 443 CO 0.02 -1.74 0.71 -1.12 0.04 0.00 0.00 177.00 174.92 2wxr s SER 444 N -3.65 5.29 0.00 6.66 0.01 -0.72 -4.82 113.70 116.47 2wxr s SER 444 Ca 0.61 -0.53 0.00 0.00 1.31 0.00 0.00 55.95 57.34 2wxr s SER 444 Cb -0.16 -0.27 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2wxr s SER 444 CO 0.55 -1.12 0.90 0.55 0.41 0.00 0.00 173.24 174.54 2wxr n VAL 445 N -2.14 0.00 -0.10 3.43 3.14 -1.26 -5.01 118.33 116.39 2wxr n VAL 445 Ca 0.11 1.40 -0.20 0.00 -2.96 0.00 0.00 64.34 62.70 2wxr n VAL 445 Cb 0.60 -2.24 -0.07 0.00 -1.06 0.00 0.00 33.84 31.07 2wxr n VAL 445 CO 0.00 0.00 0.00 0.18 -6.46 0.00 0.00 176.83 170.55 2wxr n LEU 452 N -2.00 1.54 -4.71 6.55 7.99 -1.26 -5.20 117.00 119.91 2wxr n LEU 452 Ca 0.00 0.26 -0.41 0.00 -0.01 0.00 0.00 56.01 55.85 2wxr n LEU 452 Cb 0.00 -0.63 -0.04 0.00 -0.11 0.00 0.00 43.42 42.65 2wxr n LEU 452 CO 0.00 0.29 0.59 -0.76 -1.51 0.00 0.00 177.39 175.99 2wxr s LEU 453 N -7.25 4.34 -0.67 2.23 1.02 -1.26 -4.74 118.68 112.35 2wxr s LEU 453 Ca -0.28 1.47 0.05 0.00 0.02 0.00 0.00 54.13 55.39 2wxr s LEU 453 Cb 0.10 -3.39 0.25 0.00 0.02 0.00 0.00 46.19 43.17 2wxr s LEU 453 CO 0.36 -0.23 0.78 -3.20 0.02 0.00 0.00 176.35 174.08 2wxr n ASN 454 N 3.98 3.89 -0.08 2.29 5.15 -1.26 -4.93 115.26 124.31 2wxr n ASN 454 Ca 0.04 -3.43 0.22 0.00 -0.60 0.00 0.00 54.58 50.80 2wxr n ASN 454 Cb 0.51 -0.71 0.68 0.00 -0.53 0.00 0.00 39.78 39.73 2wxr n ASN 454 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 2wxr h PRO 455 N 4.31 0.05 -0.00 1.20 0.11 -1.95 -1.17 132.00 134.55 2wxr h PRO 455 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 2wxr h PRO 455 Cb 0.66 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.76 2wxr h PRO 455 CO 0.86 0.03 -0.27 0.00 -0.21 0.00 0.00 178.00 178.42 2wxr n ALA 456 N -2.65 3.05 -1.14 -0.75 0.00 -1.26 -4.88 120.51 112.88 2wxr n ALA 456 Ca 0.13 -0.29 -0.32 0.00 0.00 0.00 0.00 53.44 52.96 2wxr n ALA 456 Cb 0.71 -1.24 0.11 0.00 0.00 0.00 0.00 19.45 19.03 2wxr n ALA 456 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2wxr s GLY 457 N -2.79 1.88 0.70 0.00 0.00 -0.45 -4.93 107.32 101.74 2wxr s GLY 457 Ca 0.18 0.53 -0.16 0.00 0.00 0.00 0.00 44.72 45.27 2wxr s GLY 457 CO 0.58 0.91 0.71 -0.37 0.00 0.00 0.00 173.10 174.93 2wxr n THR 458 N -3.43 2.33 -0.76 0.90 5.66 -1.26 -4.88 114.28 112.84 2wxr n THR 458 Ca 0.11 -0.41 0.08 0.00 -3.05 0.00 0.00 64.05 60.78 2wxr n THR 458 Cb 0.52 -0.88 0.38 0.00 -1.55 0.00 0.00 70.33 68.80 2wxr n THR 458 CO 0.00 0.00 0.00 1.33 -3.05 0.00 0.00 175.07 173.35 2wxr n VAL 459 N -2.30 2.28 -4.71 1.08 0.24 -1.26 -4.13 118.33 109.53 2wxr n VAL 459 Ca 0.11 -1.31 -0.31 0.00 -2.04 0.00 0.00 64.34 60.80 2wxr n VAL 459 Cb 0.49 -0.06 -0.13 0.00 -1.47 0.00 0.00 33.84 32.67 2wxr n VAL 459 CO 0.00 0.00 0.00 -0.60 -2.14 0.00 0.00 176.83 174.09 2wxr s ARG 460 N -2.29 2.00 0.86 7.34 3.52 -1.26 -4.58 118.95 124.53 2wxr s ARG 460 Ca 0.53 -1.01 -0.11 0.00 -0.13 0.00 0.00 55.73 55.01 2wxr s ARG 460 Cb 0.37 -2.14 0.11 0.00 -1.56 0.00 0.00 34.95 31.73 2wxr s ARG 460 CO 0.21 0.53 1.10 0.20 -0.81 0.00 0.00 175.30 176.53 2wxr s GLY 461 N -1.41 1.66 -0.02 8.12 0.00 -1.26 -4.94 107.32 109.47 2wxr s GLY 461 Ca 0.14 0.22 -0.30 0.00 0.00 0.00 0.00 44.72 44.79 2wxr s GLY 461 CO 0.05 0.64 1.73 0.21 0.00 0.00 0.00 173.10 175.73 2wxr s ASN 462 N -3.21 6.61 0.48 1.64 3.84 0.26 -4.94 114.94 119.62 2wxr s ASN 462 Ca 0.63 2.37 0.21 0.00 0.21 0.00 0.00 52.86 56.28 2wxr s ASN 462 Cb -0.19 -2.54 1.20 0.00 -0.55 0.00 0.00 41.25 39.18 2wxr s ASN 462 CO 0.57 -0.95 2.02 -0.65 -2.79 0.00 0.00 177.10 175.30 2wxr h PRO 463 N 9.61 0.00 -4.48 0.43 0.11 -1.89 -3.33 132.00 132.45 2wxr h PRO 463 Ca -0.42 0.00 -0.66 0.00 0.11 0.00 0.00 66.00 65.03 2wxr h PRO 463 Cb 1.19 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2wxr h PRO 463 CO 0.95 0.16 2.58 -1.71 -0.21 0.00 0.00 178.00 179.77 2wxr n ASN 464 N -3.98 3.43 -0.00 -2.05 2.85 -1.26 -4.65 115.26 109.60 2wxr n ASN 464 Ca -0.02 -2.78 -0.07 0.00 -0.11 0.00 0.00 54.58 51.59 2wxr n ASN 464 Cb 0.25 -1.48 0.10 0.00 1.24 0.00 0.00 39.78 39.89 2wxr n ASN 464 CO 0.00 0.00 0.00 0.71 -2.11 0.00 0.00 177.26 175.86 2wxr h THR 465 N 4.50 1.30 -0.50 -0.44 1.35 -1.92 0.99 112.91 118.20 2wxr h THR 465 Ca 0.48 -1.61 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 2wxr h THR 465 Cb 0.70 1.60 -0.02 0.00 -1.73 0.00 0.00 68.15 68.69 2wxr h THR 465 CO 1.82 0.51 0.27 1.05 -0.25 0.00 0.00 175.52 178.92 2wxr h GLU 466 N 0.45 0.70 0.00 4.72 4.11 -1.93 -3.26 114.58 119.37 2wxr h GLU 466 Ca 0.03 -0.09 0.00 0.00 0.07 0.00 0.00 59.36 59.38 2wxr h GLU 466 Cb 0.94 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.05 2wxr h GLU 466 CO 0.08 0.55 -1.18 0.45 0.07 0.00 0.00 179.01 178.99 2wxr n SER 467 N -4.65 0.57 -4.72 3.06 2.88 -1.12 -4.92 113.62 104.72 2wxr n SER 467 Ca 0.02 -0.22 -0.42 0.00 -1.33 0.00 0.00 58.87 56.92 2wxr n SER 467 Cb 0.09 0.99 -0.03 0.00 -0.75 0.00 0.00 64.21 64.50 2wxr n SER 467 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2wxr s ALA 468 N -3.24 3.39 0.34 -1.46 0.00 0.33 -5.01 121.76 116.10 2wxr s ALA 468 Ca 0.02 0.86 -0.28 0.00 0.00 0.00 0.00 51.96 52.56 2wxr s ALA 468 Cb 0.14 -3.42 -0.12 0.00 0.00 0.00 0.00 23.12 19.72 2wxr s ALA 468 CO 0.82 -0.37 1.36 0.00 0.00 0.00 0.00 175.76 177.57 2wxr n ALA 469 N 3.25 1.56 -3.84 0.00 0.00 -1.26 -4.78 120.51 115.44 2wxr n ALA 469 Ca 0.06 0.36 -0.25 0.00 0.00 0.00 0.00 53.44 53.62 2wxr n ALA 469 Cb 0.46 -2.30 -0.17 0.00 0.00 0.00 0.00 19.45 17.44 2wxr n ALA 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxr s ALA 470 N -0.93 1.02 0.01 0.00 0.00 -1.26 -0.14 121.76 120.47 2wxr s ALA 470 Ca 0.57 -0.34 -0.16 0.00 0.00 0.00 0.00 51.96 52.03 2wxr s ALA 470 Cb -0.55 -0.83 -0.06 0.00 0.00 0.00 0.00 23.12 21.68 2wxr s ALA 470 CO 0.61 -0.43 0.44 -0.51 0.00 0.00 0.00 175.76 175.87 2wxr s LEU 471 N 1.82 4.48 -0.08 0.00 1.43 0.25 -2.55 118.68 124.04 2wxr s LEU 471 Ca 0.05 1.02 -0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2wxr s LEU 471 Cb -0.12 -2.65 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 2wxr s LEU 471 CO -0.07 0.31 -0.04 0.68 0.23 0.00 0.00 176.35 177.46 2wxr s VAL 472 N -1.05 3.95 0.24 -1.59 -7.23 0.51 0.29 120.40 115.51 2wxr s VAL 472 Ca 0.25 -0.38 0.01 0.00 -1.81 0.00 0.00 61.98 60.04 2wxr s VAL 472 Cb -0.17 -2.64 -0.04 0.00 0.56 0.00 0.00 36.38 34.09 2wxr s VAL 472 CO 0.14 0.60 0.13 0.27 -0.31 0.00 0.00 175.10 175.93 2wxr s ILE 473 N -0.77 0.24 -0.27 -0.62 -4.36 0.59 -2.44 121.20 113.57 2wxr s ILE 473 Ca 0.12 -2.00 -0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2wxr s ILE 473 Cb -0.11 -2.55 0.08 0.00 1.25 0.00 0.00 42.46 41.13 2wxr s ILE 473 CO 0.02 0.00 0.06 -0.47 0.24 0.00 0.00 174.94 174.79 2wxr s TYR 474 N -3.91 1.60 -0.26 1.37 5.04 0.32 -0.35 117.35 121.16 2wxr s TYR 474 Ca 0.38 -1.50 -0.29 0.00 -2.44 0.00 0.00 57.07 53.22 2wxr s TYR 474 Cb 0.07 -1.52 -0.01 0.00 0.35 0.00 0.00 41.96 40.85 2wxr s TYR 474 CO 0.14 -0.79 1.43 -0.51 -1.34 0.00 0.00 175.55 174.48 2wxr s LEU 475 N 1.66 3.89 0.83 6.97 1.02 1.00 -1.13 118.68 132.91 2wxr s LEU 475 Ca 0.05 1.39 -0.12 0.00 0.02 0.00 0.00 54.13 55.47 2wxr s LEU 475 Cb -0.17 -3.54 0.09 0.00 0.02 0.00 0.00 46.19 42.59 2wxr s LEU 475 CO -0.18 -1.15 1.10 -2.84 0.02 0.00 0.00 176.35 173.30 2wxr s PRO 476 N 4.36 1.85 -0.39 1.29 0.02 -1.26 -3.56 135.00 137.32 2wxr s PRO 476 Ca 0.62 0.63 -0.04 0.00 0.02 0.00 0.00 61.00 62.23 2wxr s PRO 476 Cb -0.20 -1.89 0.10 0.00 0.02 0.00 0.00 34.50 32.52 2wxr s PRO 476 CO 0.25 -1.78 0.18 -1.83 -0.33 0.00 0.00 177.00 173.50 2wxr s GLU 477 N -5.14 2.15 -1.29 5.54 -1.05 -1.26 -4.61 118.70 113.04 2wxr s GLU 477 Ca 0.61 -1.68 -0.15 0.00 -0.15 0.00 0.00 54.97 53.60 2wxr s GLU 477 Cb -0.15 -3.55 -0.03 0.00 -0.44 0.00 0.00 34.13 29.96 2wxr s GLU 477 CO 0.54 -0.99 2.26 1.33 0.95 0.00 0.00 175.26 179.36 2wxr n VAL 478 N 4.64 3.13 -2.01 1.83 0.24 -1.26 -5.18 118.33 119.73 2wxr n VAL 478 Ca -0.05 -2.52 -0.20 0.00 -2.04 0.00 0.00 64.34 59.53 2wxr n VAL 478 Cb 0.42 -2.51 -0.05 0.00 -1.47 0.00 0.00 33.84 30.23 2wxr n VAL 478 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxr n ALA 479 N 5.94 -0.46 -1.77 2.33 0.00 -1.26 -5.07 120.51 120.21 2wxr n ALA 479 Ca 0.55 0.24 -0.41 0.00 0.00 0.00 0.00 53.44 53.82 2wxr n ALA 479 Cb 0.35 -2.10 -0.01 0.00 0.00 0.00 0.00 19.45 17.70 2wxr n ALA 479 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2wxr s PRO 482 N -4.41 4.10 -0.02 0.00 0.02 -1.26 -5.30 135.00 128.14 2wxr s PRO 482 Ca 0.00 2.59 0.05 0.00 0.02 0.00 0.00 61.00 63.66 2wxr s PRO 482 Cb 0.00 -2.98 -0.01 0.00 0.02 0.00 0.00 34.50 31.53 2wxr s PRO 482 CO 0.00 -0.59 -0.17 0.14 -0.33 0.00 0.00 177.00 176.05 2wxr s VAL 483 N -0.73 1.37 0.28 3.83 -7.23 -1.26 -5.02 120.40 111.64 2wxr s VAL 483 Ca 0.57 -0.73 0.09 0.00 -1.81 0.00 0.00 61.98 60.10 2wxr s VAL 483 Cb -0.47 -1.16 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 2wxr s VAL 483 CO 0.58 0.39 0.03 -0.31 -0.31 0.00 0.00 175.10 175.49 2wxr s TYR 484 N -0.26 2.71 0.01 2.82 2.02 -1.26 -1.96 117.35 121.42 2wxr s TYR 484 Ca 0.03 -0.26 -0.30 0.00 -0.37 0.00 0.00 57.07 56.18 2wxr s TYR 484 Cb -0.08 -1.30 -0.06 0.00 -0.40 0.00 0.00 41.96 40.12 2wxr s TYR 484 CO 0.00 0.56 1.38 0.12 -1.57 0.00 0.00 175.55 176.05 2wxr s PHE 485 N -2.34 2.92 0.27 2.71 2.19 -0.90 -4.40 117.98 118.43 2wxr s PHE 485 Ca 0.33 0.86 -0.29 0.00 0.33 0.00 0.00 56.93 58.16 2wxr s PHE 485 Cb -0.05 -3.65 -0.14 0.00 -1.31 0.00 0.00 43.02 37.87 2wxr s PHE 485 CO 0.21 -2.35 1.05 -2.30 1.83 0.00 0.00 175.22 173.65 2wxr n PRO 486 N 5.20 1.37 -0.61 10.12 -0.02 -1.26 -4.92 135.00 144.89 2wxr n PRO 486 Ca 0.13 0.48 -0.29 0.00 -2.02 0.00 0.00 63.50 61.80 2wxr n PRO 486 Cb 0.44 -1.88 0.23 0.00 -0.02 0.00 0.00 33.50 32.26 2wxr n PRO 486 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wxr s ALA 487 N -0.90 0.09 0.36 3.55 0.00 -1.26 -4.79 121.76 118.80 2wxr s ALA 487 Ca 0.61 0.06 0.08 0.00 0.00 0.00 0.00 51.96 52.71 2wxr s ALA 487 Cb -0.72 -3.30 0.70 0.00 0.00 0.00 0.00 23.12 19.80 2wxr s ALA 487 CO 0.59 -3.53 1.87 1.25 0.00 0.00 0.00 175.76 175.94 2wxr h LEU 488 N -2.40 0.27 -0.61 0.00 5.85 -2.00 -2.66 115.31 113.76 2wxr h LEU 488 Ca -0.56 -0.06 0.10 0.00 0.84 0.00 0.00 57.88 58.20 2wxr h LEU 488 Cb 1.32 -0.07 -0.11 0.00 0.37 0.00 0.00 40.66 42.16 2wxr h LEU 488 CO 0.48 0.46 -0.35 1.05 -0.34 0.00 0.00 178.44 179.73 2wxr h GLU 489 N 0.26 -0.16 -0.61 1.25 4.11 -2.00 -0.26 114.58 117.18 2wxr h GLU 489 Ca 0.05 0.01 -0.02 0.00 0.07 0.00 0.00 59.36 59.47 2wxr h GLU 489 Cb 0.45 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 2wxr h GLU 489 CO 0.03 -0.11 0.29 0.87 0.07 0.00 0.00 179.01 180.16 2wxr h LYS 490 N -0.17 0.88 0.08 1.06 1.79 -1.84 0.85 116.57 119.22 2wxr h LYS 490 Ca 0.23 -0.13 0.02 0.00 -2.18 0.00 0.00 60.65 58.59 2wxr h LYS 490 Cb 0.56 -0.16 -0.03 0.00 -1.58 0.00 0.00 32.23 31.02 2wxr h LYS 490 CO -0.70 0.71 -0.19 0.82 -1.08 0.00 0.00 179.45 179.00 2wxr h ILE 491 N 0.83 0.55 -0.38 1.86 1.08 -0.91 0.15 117.51 120.70 2wxr h ILE 491 Ca 0.21 0.00 0.06 0.00 -0.39 0.00 0.00 64.86 64.74 2wxr h ILE 491 Cb 0.12 0.55 -0.06 0.00 -3.07 0.00 0.00 36.82 34.37 2wxr h ILE 491 CO -0.03 0.00 0.05 -0.07 -0.69 0.00 0.00 178.15 177.41 2wxr h LEU 492 N -0.36 -0.06 -0.74 1.44 4.07 -1.02 -2.56 115.31 116.08 2wxr h LEU 492 Ca 0.03 0.07 0.14 0.00 0.08 0.00 0.00 57.88 58.20 2wxr h LEU 492 Cb 0.39 0.11 -0.14 0.00 1.08 0.00 0.00 40.66 42.11 2wxr h LEU 492 CO -0.12 0.01 -0.27 -0.08 -1.08 0.00 0.00 178.44 176.89 2wxr h GLU 493 N 0.16 -0.06 0.00 1.13 4.81 0.14 -3.50 114.58 117.26 2wxr h GLU 493 Ca 0.19 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 2wxr h GLU 493 Cb 0.24 0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.63 2wxr h GLU 493 CO -0.27 -0.04 0.00 -0.11 -0.73 0.00 0.00 179.01 177.86 2wxr n LEU 494 N -5.48 0.00 0.00 1.64 7.94 0.44 -5.08 117.00 116.46 2wxr n LEU 494 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 2wxr n LEU 494 Cb 0.38 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.33 2wxr n LEU 494 CO -0.03 -0.55 0.00 0.00 -1.11 0.00 0.00 177.39 175.71 2wxr n LEU 511 N 0.00 0.00 0.00 -1.96 -0.00 -1.26 -4.84 117.00 108.94 2wxr n LEU 511 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2wxr n LEU 511 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2wxr n LEU 511 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.39 177.93 2wxr n ARG 512 N 0.00 0.00 0.17 1.47 5.12 -1.26 -4.67 116.66 117.49 2wxr n ARG 512 Ca 0.00 0.00 0.14 0.00 -1.93 0.00 0.00 57.85 56.06 2wxr n ARG 512 Cb 0.00 -0.23 0.55 0.00 -1.16 0.00 0.00 32.46 31.61 2wxr n ARG 512 CO 0.00 0.00 0.00 0.93 -1.93 0.00 0.00 177.63 176.63 2wxr h GLU 513 N 0.00 0.00 -1.00 5.56 5.08 -2.03 -3.34 114.58 118.85 2wxr h GLU 513 Ca 0.00 0.00 0.38 0.00 -1.00 0.00 0.00 59.36 58.74 2wxr h GLU 513 Cb 0.00 0.00 -0.17 0.00 0.50 0.00 0.00 28.75 29.08 2wxr h GLU 513 CO 0.00 0.00 0.52 0.97 -1.00 0.00 0.00 179.01 179.50 2wxr h ILE 514 N 0.00 0.11 0.00 3.13 6.09 -2.07 0.26 117.51 125.02 2wxr h ILE 514 Ca 0.00 -0.04 -0.10 0.00 -1.37 0.00 0.00 64.86 63.35 2wxr h ILE 514 Cb 0.42 -0.02 -0.01 0.00 0.47 0.00 0.00 36.82 37.68 2wxr h ILE 514 CO 0.00 0.02 -0.49 0.17 -3.07 0.00 0.00 178.15 174.78 2wxr h LEU 515 N 0.11 0.00 -7.68 2.19 8.10 -1.89 -3.44 115.31 112.70 2wxr h LEU 515 Ca 0.79 0.00 -0.71 0.00 0.11 0.00 0.00 57.88 58.07 2wxr h LEU 515 Cb 1.99 0.00 -0.13 0.00 -0.44 0.00 0.00 40.66 42.08 2wxr h LEU 515 CO -0.72 0.49 1.83 1.21 -4.11 0.00 0.00 178.44 177.14 2wxr n GLU 516 N -3.23 3.29 0.00 0.17 2.13 0.90 -5.05 120.64 118.84 2wxr n GLU 516 Ca 0.02 -3.54 0.00 0.00 0.66 0.00 0.00 57.16 54.30 2wxr n GLU 516 Cb 0.72 -3.25 0.00 0.00 0.27 0.00 0.00 31.44 29.18 2wxr n GLU 516 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 2wxr n ARG 517 N 6.83 1.29 -2.65 5.31 0.00 -1.26 -5.06 116.66 121.12 2wxr n ARG 517 Ca 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 57.85 58.22 2wxr n ARG 517 Cb 0.44 -0.76 0.01 0.00 -0.00 0.00 0.00 32.46 32.14 2wxr n ARG 517 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2wxr n GLU 522 N -1.57 -1.96 -4.38 2.89 -0.58 -1.26 -5.21 120.64 108.58 2wxr n GLU 522 Ca 0.00 1.84 -0.21 0.00 -0.42 0.00 0.00 57.16 58.37 2wxr n GLU 522 Cb 0.26 -5.04 -0.13 0.00 -0.57 0.00 0.00 31.44 25.96 2wxr n GLU 522 CO 0.00 0.00 0.00 -0.48 -0.48 0.00 0.00 177.13 176.17 2wxr s LEU 523 N -2.45 2.18 1.01 -4.62 2.34 -1.26 -5.15 118.68 110.73 2wxr s LEU 523 Ca 0.20 -0.48 -0.14 0.00 0.06 0.00 0.00 54.13 53.77 2wxr s LEU 523 Cb -0.06 -0.65 0.19 0.00 -0.56 0.00 0.00 46.19 45.11 2wxr s LEU 523 CO 0.65 0.04 1.12 -0.31 -1.06 0.00 0.00 176.35 176.79 2wxr s TYR 524 N -0.88 1.94 0.08 3.48 2.02 -1.26 -4.76 117.35 117.97 2wxr s TYR 524 Ca 0.02 0.82 -0.24 0.00 -0.37 0.00 0.00 57.07 57.31 2wxr s TYR 524 Cb -0.08 -3.38 -0.16 0.00 -0.40 0.00 0.00 41.96 37.94 2wxr s TYR 524 CO 0.01 -2.90 1.69 1.49 -1.57 0.00 0.00 175.55 174.28 2wxr h GLU 525 N -1.88 -0.04 -0.43 -0.62 4.57 -2.01 -1.37 114.58 112.80 2wxr h GLU 525 Ca -0.51 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 57.59 2wxr h GLU 525 Cb 1.32 0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.90 2wxr h GLU 525 CO 0.55 0.02 -0.07 1.12 -1.18 0.00 0.00 179.01 179.44 2wxr h HIS 526 N -0.08 0.80 -0.52 0.92 2.07 -2.01 -3.10 115.15 113.23 2wxr h HIS 526 Ca -0.00 -0.13 0.04 0.00 -2.85 0.00 0.00 60.37 57.42 2wxr h HIS 526 Cb 0.07 -0.21 -0.04 0.00 2.57 0.00 0.00 27.41 29.80 2wxr h HIS 526 CO -0.06 0.78 0.29 0.93 -3.07 0.00 0.00 177.93 176.80 2wxr h GLU 527 N 0.68 0.55 -0.75 5.12 5.08 -1.77 -0.98 114.58 122.49 2wxr h GLU 527 Ca 0.12 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.54 2wxr h GLU 527 Cb 0.52 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.58 2wxr h GLU 527 CO 0.03 0.36 0.41 0.87 -1.00 0.00 0.00 179.01 179.68 2wxr h LYS 528 N 0.56 0.68 -0.74 2.33 1.57 -1.20 -2.66 116.57 117.12 2wxr h LYS 528 Ca 0.22 -0.04 0.09 0.00 -1.87 0.00 0.00 60.65 59.05 2wxr h LYS 528 Cb 0.09 -0.15 -0.07 0.00 0.08 0.00 0.00 32.23 32.17 2wxr h LYS 528 CO -0.13 0.45 0.39 -0.44 -0.57 0.00 0.00 179.45 179.15 2wxr h ASP 529 N 0.70 0.54 -0.30 0.86 3.32 -1.13 -0.84 116.42 119.57 2wxr h ASP 529 Ca 0.36 0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.38 2wxr h ASP 529 Cb 0.34 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.82 2wxr h ASP 529 CO -0.25 0.31 -0.09 0.25 -1.72 0.00 0.00 179.24 177.75 2wxr h LEU 530 N 0.67 0.69 0.30 1.55 7.12 -1.11 -1.78 115.31 122.74 2wxr h LEU 530 Ca 0.36 -0.19 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 2wxr h LEU 530 Cb 0.34 -0.18 0.00 0.00 -0.53 0.00 0.00 40.66 40.29 2wxr h LEU 530 CO -0.25 0.81 -0.14 0.58 -0.13 0.00 0.00 178.44 179.31 2wxr h VAL 531 N 0.64 0.00 -1.03 1.05 2.07 -1.10 0.18 116.25 118.05 2wxr h VAL 531 Ca 0.12 -0.08 0.30 0.00 0.82 0.00 0.00 66.70 67.85 2wxr h VAL 531 Cb 0.54 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.26 2wxr h VAL 531 CO 0.03 0.00 0.74 -0.25 0.02 0.00 0.00 177.57 178.11 2wxr h TRP 532 N -0.48 0.04 0.29 1.57 2.91 -1.19 -0.27 115.95 118.81 2wxr h TRP 532 Ca -0.04 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 59.97 2wxr h TRP 532 Cb 0.31 -0.01 0.00 0.00 -0.51 0.00 0.00 29.16 28.95 2wxr h TRP 532 CO 0.11 0.01 -0.14 -0.22 -1.03 0.00 0.00 178.44 177.17 2wxr h LYS 533 N 0.02 -0.37 0.00 2.65 1.63 -1.18 -3.02 116.57 116.30 2wxr h LYS 533 Ca 0.50 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.32 2wxr h LYS 533 Cb 1.94 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 33.66 2wxr h LYS 533 CO -0.02 -0.07 0.00 -1.33 -3.45 0.00 0.00 179.45 174.58 2wxr n MET 534 N -5.04 0.21 -0.32 1.90 2.81 0.04 -4.37 117.12 112.34 2wxr n MET 534 Ca -0.08 0.00 0.35 0.00 -1.81 0.00 0.00 57.70 56.17 2wxr n MET 534 Cb 0.24 -1.16 0.74 0.00 -0.71 0.00 0.00 33.22 32.34 2wxr n MET 534 CO 0.00 0.00 0.00 0.07 1.51 0.00 0.00 175.97 177.55 2wxr h ARG 535 N 0.00 0.00 -0.01 0.03 0.11 -0.97 0.87 114.38 114.41 2wxr h ARG 535 Ca 0.00 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 59.84 2wxr h ARG 535 Cb 0.00 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.09 2wxr h ARG 535 CO 0.00 0.00 -0.98 0.45 0.10 0.00 0.00 179.97 179.54 2wxr h HIS 536 N 0.00 0.84 0.00 4.08 3.86 -1.87 -3.10 115.15 118.96 2wxr h HIS 536 Ca 0.57 -0.45 0.00 0.00 -1.16 0.00 0.00 60.37 59.33 2wxr h HIS 536 Cb 2.36 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 30.73 2wxr h HIS 536 CO 0.00 1.28 0.00 0.39 0.86 0.00 0.00 177.93 180.46 2wxr n GLU 537 N -3.81 0.20 0.01 2.45 -0.58 0.30 0.28 120.64 119.48 2wxr n GLU 537 Ca -0.09 0.41 -0.10 0.00 -0.42 0.00 0.00 57.16 56.97 2wxr n GLU 537 Cb 0.85 -1.87 -0.08 0.00 -0.57 0.00 0.00 31.44 29.78 2wxr n GLU 537 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 2wxr h VAL 538 N 0.00 0.93 -1.01 2.62 2.07 -1.44 0.63 116.25 120.05 2wxr h VAL 538 Ca 0.00 -1.39 0.14 0.00 0.82 0.00 0.00 66.70 66.27 2wxr h VAL 538 Cb 0.39 1.65 -0.09 0.00 -1.52 0.00 0.00 31.29 31.71 2wxr h VAL 538 CO 0.00 0.27 0.63 -0.61 0.02 0.00 0.00 177.57 177.88 2wxr h GLN 539 N -0.91 0.91 0.06 1.57 4.15 -1.33 0.12 115.11 119.67 2wxr h GLN 539 Ca -0.01 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 59.35 2wxr h GLN 539 Cb 0.54 -0.21 0.00 0.00 0.21 0.00 0.00 27.48 28.03 2wxr h GLN 539 CO 0.02 0.60 -0.03 0.93 -1.93 0.00 0.00 178.83 178.43 2wxr h GLU 540 N 0.94 -0.07 0.00 1.69 5.08 -0.20 -3.41 114.58 118.61 2wxr h GLU 540 Ca 0.52 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.88 2wxr h GLU 540 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2wxr h GLU 540 CO -0.29 0.47 0.00 0.72 -1.00 0.00 0.00 179.01 178.90 2wxr n HIS 541 N -4.85 0.00 -2.73 4.33 8.25 0.22 -4.80 115.22 115.64 2wxr n HIS 541 Ca -0.09 -0.13 -0.04 0.00 -0.26 0.00 0.00 57.72 57.20 2wxr n HIS 541 Cb 0.29 -0.01 0.07 0.00 1.12 0.00 0.00 29.99 31.46 2wxr n HIS 541 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 2wxr n PHE 542 N -0.13 -0.05 -0.18 4.41 3.72 0.36 -4.97 117.46 120.62 2wxr n PHE 542 Ca 0.00 -2.21 0.29 0.00 -0.05 0.00 0.00 57.45 55.47 2wxr n PHE 542 Cb 0.16 0.38 0.73 0.00 -0.94 0.00 0.00 39.48 39.81 2wxr n PHE 542 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 2wxr h PRO 543 N 2.31 0.00 0.00 -1.08 0.11 -1.64 0.22 132.00 131.92 2wxr h PRO 543 Ca -0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.90 2wxr h PRO 543 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 2wxr h PRO 543 CO 0.16 0.00 0.00 0.39 -0.21 0.00 0.00 178.00 178.34 2wxr n GLU 544 N -4.23 0.19 -0.27 1.05 1.02 -1.26 -1.47 120.64 115.67 2wxr n GLU 544 Ca 0.19 0.16 0.10 0.00 -0.02 0.00 0.00 57.16 57.58 2wxr n GLU 544 Cb 0.97 -1.50 0.24 0.00 -0.02 0.00 0.00 31.44 31.13 2wxr n GLU 544 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2wxr n ALA 545 N -1.26 2.32 -0.26 0.62 0.00 0.77 -4.63 120.51 118.06 2wxr n ALA 545 Ca 0.06 -1.18 -0.02 0.00 0.00 0.00 0.00 53.44 52.30 2wxr n ALA 545 Cb 0.09 -0.74 0.01 0.00 0.00 0.00 0.00 19.45 18.81 2wxr n ALA 545 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wxr n LEU 546 N 1.23 -0.49 -0.06 0.00 7.94 -0.54 -0.57 117.00 124.49 2wxr n LEU 546 Ca 0.19 1.16 -0.08 0.00 -1.11 0.00 0.00 56.01 56.16 2wxr n LEU 546 Cb 0.54 -0.24 -0.01 0.00 0.53 0.00 0.00 43.42 44.24 2wxr n LEU 546 CO 0.13 -1.02 0.93 0.00 -1.11 0.00 0.00 177.39 176.32 2wxr h ALA 547 N 0.78 0.29 -0.83 1.96 0.00 -1.86 -1.88 119.26 117.73 2wxr h ALA 547 Ca 0.20 0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.27 2wxr h ALA 547 Cb 0.37 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.09 2wxr h ALA 547 CO -0.65 -0.31 0.54 0.00 0.00 0.00 0.00 179.25 178.83 2wxr h ARG 548 N 0.22 0.56 -0.08 0.00 3.08 -1.18 0.56 114.38 117.54 2wxr h ARG 548 Ca 0.11 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 59.97 2wxr h ARG 548 Cb 0.06 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 2wxr h ARG 548 CO -0.10 0.37 -0.63 1.25 -1.07 0.00 0.00 179.97 179.79 2wxr h LEU 549 N 0.58 0.36 -0.60 3.04 5.85 -1.17 -2.49 115.31 120.87 2wxr h LEU 549 Ca 0.41 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 2wxr h LEU 549 Cb 0.75 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 2wxr h LEU 549 CO -0.16 0.90 0.20 -0.07 -0.34 0.00 0.00 178.44 178.96 2wxr h LEU 550 N 0.23 0.87 0.00 2.25 3.38 -0.14 -0.75 115.31 121.14 2wxr h LEU 550 Ca -0.01 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.76 2wxr h LEU 550 Cb 1.16 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wxr h LEU 550 CO 0.10 0.84 0.00 0.18 0.09 0.00 0.00 178.44 179.66 2wxr n LEU 551 N -4.40 0.00 -0.03 1.67 4.77 -0.55 -2.44 117.00 116.02 2wxr n LEU 551 Ca 0.03 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2wxr n LEU 551 Cb 0.20 -0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.13 2wxr n LEU 551 CO 0.40 -0.00 -0.85 1.33 -1.33 0.00 0.00 177.39 176.94 2wxr n VAL 552 N -1.00 0.37 -2.02 4.08 0.24 -0.80 -5.04 118.33 114.17 2wxr n VAL 552 Ca 0.21 -0.57 -0.38 0.00 -2.04 0.00 0.00 64.34 61.56 2wxr n VAL 552 Cb 0.10 -0.12 0.01 0.00 -1.47 0.00 0.00 33.84 32.36 2wxr n VAL 552 CO 0.00 0.00 0.00 0.28 -2.14 0.00 0.00 176.83 174.97 2wxr s THR 553 N -3.16 2.58 -1.16 3.34 -1.32 -0.36 -4.89 115.64 110.68 2wxr s THR 553 Ca -0.08 0.44 -0.21 0.00 -1.21 0.00 0.00 61.69 60.64 2wxr s THR 553 Cb 0.11 -3.23 0.05 0.00 -1.51 0.00 0.00 72.50 67.93 2wxr s THR 553 CO 0.84 0.00 1.62 -0.54 -2.21 0.00 0.00 174.62 174.32 2wxr s LYS 554 N -2.75 3.73 0.46 7.08 -0.14 -1.26 -4.81 119.74 122.05 2wxr s LYS 554 Ca 0.67 -1.53 0.16 0.00 -1.36 0.00 0.00 55.97 53.91 2wxr s LYS 554 Cb -0.35 -5.44 1.08 0.00 -1.68 0.00 0.00 37.83 31.45 2wxr s LYS 554 CO 0.42 -2.31 2.02 -1.49 -0.76 0.00 0.00 175.35 173.23 2wxr h TRP 555 N 8.75 0.00 -0.32 3.18 4.06 -1.92 -2.15 115.95 127.55 2wxr h TRP 555 Ca 0.32 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.27 2wxr h TRP 555 Cb 0.94 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.10 2wxr h TRP 555 CO 1.35 0.16 0.00 0.27 -3.56 0.00 0.00 178.44 176.66 2wxr n ASN 556 N -4.26 1.92 -3.77 -3.49 0.23 -1.26 -4.39 115.26 100.25 2wxr n ASN 556 Ca -0.02 -2.06 -0.29 0.00 -0.53 0.00 0.00 54.58 51.68 2wxr n ASN 556 Cb 0.23 -0.27 -0.16 0.00 -2.08 0.00 0.00 39.78 37.51 2wxr n ASN 556 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 2wxr s LYS 557 N -1.59 0.85 0.25 -3.83 -0.14 -0.81 -4.87 119.74 109.61 2wxr s LYS 557 Ca 0.22 -0.83 -0.05 0.00 -1.36 0.00 0.00 55.97 53.95 2wxr s LYS 557 Cb 0.12 -2.15 0.50 0.00 -1.68 0.00 0.00 37.83 34.62 2wxr s LYS 557 CO 0.14 -0.80 1.65 1.12 -0.76 0.00 0.00 175.35 176.70 2wxr h HIS 558 N 8.12 0.11 -0.33 3.18 2.07 -1.80 -2.10 115.15 124.39 2wxr h HIS 558 Ca -0.15 0.05 0.07 0.00 -2.85 0.00 0.00 60.37 57.49 2wxr h HIS 558 Cb 1.06 0.07 -0.08 0.00 2.57 0.00 0.00 27.41 31.03 2wxr h HIS 558 CO 0.36 -0.20 -0.24 0.93 -3.07 0.00 0.00 177.93 175.72 2wxr h GLU 559 N 0.16 -0.19 -0.21 5.12 5.08 -1.92 -1.76 114.58 120.86 2wxr h GLU 559 Ca 0.44 0.01 -0.11 0.00 -1.00 0.00 0.00 59.36 58.70 2wxr h GLU 559 Cb 0.80 0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.08 2wxr h GLU 559 CO -0.62 -0.13 -0.35 -0.44 -1.00 0.00 0.00 179.01 176.47 2wxr h ASP 560 N -0.20 0.45 0.15 1.42 5.19 -1.65 0.18 116.42 121.96 2wxr h ASP 560 Ca 0.17 -0.18 -0.02 0.00 -0.62 0.00 0.00 57.03 56.38 2wxr h ASP 560 Cb 0.46 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.84 2wxr h ASP 560 CO -0.45 0.77 -0.11 0.58 -3.12 0.00 0.00 179.24 176.91 2wxr h VAL 561 N 0.37 0.93 -0.09 -1.35 2.07 -1.27 -1.92 116.25 114.99 2wxr h VAL 561 Ca 0.04 -0.40 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 2wxr h VAL 561 Cb 0.79 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2wxr h VAL 561 CO 0.06 0.11 -0.07 0.00 0.02 0.00 0.00 177.57 177.69 2wxr h ALA 562 N 1.89 0.13 -0.59 1.67 0.00 -0.09 -1.97 119.26 120.30 2wxr h ALA 562 Ca -0.00 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 2wxr h ALA 562 Cb 0.21 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.95 2wxr h ALA 562 CO 0.01 -0.07 -0.01 1.96 0.00 0.00 0.00 179.25 181.15 2wxr h GLN 563 N -0.20 1.04 -0.04 0.00 4.20 -1.37 -1.07 115.11 117.67 2wxr h GLN 563 Ca 0.02 -0.33 0.01 0.00 0.06 0.00 0.00 58.65 58.40 2wxr h GLN 563 Cb 0.56 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.24 2wxr h GLN 563 CO 0.02 1.02 0.00 1.98 -0.67 0.00 0.00 178.83 181.18 2wxr h MET 564 N 0.95 0.02 -0.17 1.46 4.05 -1.37 -1.39 114.93 118.47 2wxr h MET 564 Ca 0.17 -0.00 0.01 0.00 -0.28 0.00 0.00 59.70 59.60 2wxr h MET 564 Cb 0.56 -0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 31.34 2wxr h MET 564 CO 0.03 0.01 0.07 -0.07 0.23 0.00 0.00 176.91 177.19 2wxr h LEU 565 N 0.02 0.10 -0.68 3.39 4.07 -1.23 -1.07 115.31 119.91 2wxr h LEU 565 Ca 0.02 0.01 0.14 0.00 0.08 0.00 0.00 57.88 58.13 2wxr h LEU 565 Cb 0.02 -0.01 -0.13 0.00 1.08 0.00 0.00 40.66 41.63 2wxr h LEU 565 CO -0.03 0.08 -0.12 0.22 -1.08 0.00 0.00 178.44 177.52 2wxr h TYR 566 N 0.17 -0.27 0.04 1.13 3.20 -0.84 0.19 116.97 120.60 2wxr h TYR 566 Ca 0.07 0.06 0.02 0.00 3.14 0.00 0.00 58.73 62.02 2wxr h TYR 566 Cb 0.03 0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.49 2wxr h TYR 566 CO -0.10 -0.27 -0.20 -0.07 -1.64 0.00 0.00 178.16 175.88 2wxr h LEU 567 N 0.03 -0.57 -1.84 2.82 3.38 -1.04 -3.02 115.31 115.06 2wxr h LEU 567 Ca 0.34 0.08 0.13 0.00 0.09 0.00 0.00 57.88 58.51 2wxr h LEU 567 Cb 0.54 0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.49 2wxr h LEU 567 CO -0.67 -0.27 0.38 0.25 0.09 0.00 0.00 178.44 178.21 2wxr h LEU 568 N -0.34 0.15 -0.77 1.67 5.85 0.66 -2.68 115.31 119.84 2wxr h LEU 568 Ca 0.05 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 2wxr h LEU 568 Cb 0.40 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.40 2wxr h LEU 568 CO -0.15 0.09 0.00 0.00 -0.34 0.00 0.00 178.44 178.03 2wxr n SER 570 N -2.06 0.60 -4.77 0.00 3.41 -1.03 -5.07 113.62 104.71 2wxr n SER 570 Ca 0.01 -2.22 -0.41 0.00 -0.26 0.00 0.00 58.87 55.99 2wxr n SER 570 Cb 0.13 -0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 63.82 2wxr n SER 570 CO 0.00 0.00 0.00 0.86 -0.16 0.00 0.00 175.04 175.74 2wxr s TRP 571 N -0.71 2.94 0.47 7.33 -0.11 -0.71 -4.97 118.94 123.18 2wxr s TRP 571 Ca 0.08 1.32 -0.22 0.00 1.22 0.00 0.00 56.10 58.49 2wxr s TRP 571 Cb 0.07 -3.77 -0.07 0.00 -1.50 0.00 0.00 33.47 28.19 2wxr s TRP 571 CO 0.01 -2.21 1.11 -1.25 -4.62 0.00 0.00 176.95 169.99 2wxr s PRO 572 N -1.70 3.74 0.31 5.86 0.04 -1.26 -4.97 135.00 137.03 2wxr s PRO 572 Ca 0.51 1.62 -0.27 0.00 0.04 0.00 0.00 61.00 62.90 2wxr s PRO 572 Cb -0.42 -2.28 -0.13 0.00 0.04 0.00 0.00 34.50 31.71 2wxr s PRO 572 CO 0.54 -0.53 0.98 0.39 0.04 0.00 0.00 177.00 178.42 2wxr n GLU 573 N -0.69 1.30 -3.54 4.56 1.02 -1.26 -5.01 120.64 117.02 2wxr n GLU 573 Ca 0.08 0.46 -0.19 0.00 -0.02 0.00 0.00 57.16 57.49 2wxr n GLU 573 Cb 0.50 -1.85 -0.01 0.00 -0.02 0.00 0.00 31.44 30.06 2wxr n GLU 573 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 2wxr s LEU 574 N 0.41 3.96 0.48 -4.62 1.43 -1.26 -5.08 118.68 113.99 2wxr s LEU 574 Ca 0.59 -0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.27 2wxr s LEU 574 Cb -0.68 -2.70 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 2wxr s LEU 574 CO 0.59 -0.40 1.16 -2.84 0.23 0.00 0.00 176.35 175.10 2wxr s PRO 575 N -4.14 3.64 0.30 1.29 0.02 -1.26 -4.76 135.00 130.10 2wxr s PRO 575 Ca 0.44 1.75 0.02 0.00 0.02 0.00 0.00 61.00 63.23 2wxr s PRO 575 Cb -0.09 -2.31 0.75 0.00 0.02 0.00 0.00 34.50 32.87 2wxr s PRO 575 CO 0.30 -0.64 1.59 0.28 -0.33 0.00 0.00 177.00 178.20 2wxr h VAL 576 N 1.71 0.08 -0.27 3.83 2.07 -1.98 0.16 116.25 121.84 2wxr h VAL 576 Ca -0.50 -0.01 0.06 0.00 0.82 0.00 0.00 66.70 67.07 2wxr h VAL 576 Cb 1.25 0.04 -0.06 0.00 -1.52 0.00 0.00 31.29 31.00 2wxr h VAL 576 CO 0.59 0.01 -0.12 0.25 0.02 0.00 0.00 177.57 178.32 2wxr h LEU 577 N 0.04 -0.42 -0.27 2.57 5.85 -1.97 0.37 115.31 121.47 2wxr h LEU 577 Ca 0.59 0.10 -0.02 0.00 0.84 0.00 0.00 57.88 59.39 2wxr h LEU 577 Cb 1.23 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 42.48 2wxr h LEU 577 CO -0.86 -0.16 0.10 0.28 -0.34 0.00 0.00 178.44 177.45 2wxr h SER 578 N -0.08 0.39 -0.88 1.25 0.02 -1.11 -2.67 113.55 110.46 2wxr h SER 578 Ca 0.14 -0.19 0.22 0.00 -0.84 0.00 0.00 61.79 61.12 2wxr h SER 578 Cb 0.30 -0.10 -0.13 0.00 0.14 0.00 0.00 62.40 62.61 2wxr h SER 578 CO -0.32 0.48 0.36 0.00 -1.14 0.00 0.00 176.83 176.21 2wxr h ALA 579 N 0.93 1.39 0.00 3.77 0.00 -0.31 -0.34 119.26 124.71 2wxr h ALA 579 Ca 0.09 0.17 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 2wxr h ALA 579 Cb 0.22 0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 2wxr h ALA 579 CO -0.00 -0.36 -0.23 -0.07 0.00 0.00 0.00 179.25 178.59 2wxr h LEU 580 N 0.37 0.00 -0.11 0.00 3.38 0.03 -1.90 115.31 117.08 2wxr h LEU 580 Ca 0.55 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.42 2wxr h LEU 580 Cb 1.05 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.80 2wxr h LEU 580 CO -0.54 0.23 -0.31 -0.08 0.09 0.00 0.00 178.44 177.83 2wxr h GLU 581 N 0.00 0.40 -0.16 1.13 4.81 -0.92 -3.24 114.58 116.61 2wxr h GLU 581 Ca -0.00 -0.29 0.05 0.00 -0.13 0.00 0.00 59.36 58.99 2wxr h GLU 581 Cb 0.56 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.98 2wxr h GLU 581 CO 0.03 0.90 0.24 -0.07 -0.73 0.00 0.00 179.01 179.39 2wxr h LEU 582 N -0.03 0.00 -0.10 1.64 3.38 -0.39 -1.55 115.31 118.26 2wxr h LEU 582 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 2wxr h LEU 582 Cb 0.93 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.68 2wxr h LEU 582 CO 0.07 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.78 2wxr n LEU 583 N -3.52 0.15 -4.87 1.67 4.77 -1.04 -4.62 117.00 109.54 2wxr n LEU 583 Ca 0.01 -0.06 -0.31 0.00 -0.03 0.00 0.00 56.01 55.63 2wxr n LEU 583 Cb 0.35 -0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.43 2wxr n LEU 583 CO 0.24 0.03 0.69 -0.62 -1.33 0.00 0.00 177.39 176.39 2wxr s ASP 584 N -1.79 6.34 0.55 -1.43 2.15 -0.59 -4.95 116.67 116.95 2wxr s ASP 584 Ca 0.38 1.42 0.25 0.00 0.43 0.00 0.00 52.55 55.03 2wxr s ASP 584 Cb 0.18 -2.46 1.47 0.00 -0.30 0.00 0.00 42.92 41.80 2wxr s ASP 584 CO 0.29 -0.77 2.05 0.15 -0.17 0.00 0.00 175.17 176.72 2wxr h PHE 585 N 0.07 0.00 0.00 -5.34 3.57 -1.90 -0.06 116.94 113.28 2wxr h PHE 585 Ca -0.45 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.05 2wxr h PHE 585 Cb 1.19 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.93 2wxr h PHE 585 CO 0.65 0.00 0.01 0.43 -2.23 0.00 0.00 178.31 177.17 2wxr n SER 586 N -4.17 0.00 -3.37 0.41 7.64 -1.26 -3.31 113.62 109.55 2wxr n SER 586 Ca 0.05 0.31 -0.26 0.00 1.01 0.00 0.00 58.87 59.98 2wxr n SER 586 Cb 0.44 -0.31 -0.08 0.00 -1.01 0.00 0.00 64.21 63.25 2wxr n SER 586 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 2wxr n PHE 587 N -1.31 1.62 0.21 1.43 3.72 -0.04 -4.89 117.46 118.20 2wxr n PHE 587 Ca 0.00 -3.86 0.08 0.00 -0.05 0.00 0.00 57.45 53.62 2wxr n PHE 587 Cb 0.01 -0.41 0.40 0.00 -0.94 0.00 0.00 39.48 38.54 2wxr n PHE 587 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 176.76 175.71 2wxr h PRO 588 N 4.34 0.00 -6.78 -1.08 0.13 -1.77 -3.43 132.00 123.41 2wxr h PRO 588 Ca 0.15 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.75 2wxr h PRO 588 Cb 0.78 0.00 0.08 0.00 0.13 0.00 0.00 31.00 31.98 2wxr h PRO 588 CO 0.64 0.28 0.87 0.34 -0.23 0.00 0.00 178.00 179.89 2wxr s ASP 589 N -6.27 6.43 0.40 1.44 2.15 -1.26 -4.84 116.67 114.72 2wxr s ASP 589 Ca 0.01 2.89 0.26 0.00 0.43 0.00 0.00 52.55 56.13 2wxr s ASP 589 Cb 0.10 -2.63 0.66 0.00 -0.30 0.00 0.00 42.92 40.76 2wxr s ASP 589 CO 0.66 -0.88 1.72 0.00 -0.17 0.00 0.00 175.17 176.50 2wxr h TYR 591 N 0.00 0.75 -0.60 0.00 0.05 -1.98 0.15 116.97 115.34 2wxr h TYR 591 Ca 0.00 -0.35 -0.04 0.00 0.05 0.00 0.00 58.73 58.39 2wxr h TYR 591 Cb 0.82 -0.11 -0.03 0.00 1.01 0.00 0.00 36.73 38.42 2wxr h TYR 591 CO 0.00 1.15 0.21 0.28 -1.05 0.00 0.00 178.16 178.75 2wxr h VAL 592 N 0.35 1.24 -0.42 -2.88 2.07 -1.78 -2.20 116.25 112.63 2wxr h VAL 592 Ca -0.05 -0.78 -0.14 0.00 0.82 0.00 0.00 66.70 66.54 2wxr h VAL 592 Cb 1.42 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 31.80 2wxr h VAL 592 CO 0.15 0.30 -0.29 1.23 0.02 0.00 0.00 177.57 178.98 2wxr h GLY 593 N 0.84 1.02 1.28 2.17 0.00 -0.79 -1.22 103.07 106.37 2wxr h GLY 593 Ca 0.20 -0.97 -0.01 0.00 0.00 0.00 0.00 47.33 46.55 2wxr h GLY 593 CO -0.01 0.88 0.38 0.23 0.00 0.00 0.00 176.54 178.01 2wxr h SER 594 N 0.76 0.84 -0.33 0.19 0.87 -0.66 -2.17 113.55 113.05 2wxr h SER 594 Ca 0.08 -0.06 -0.11 0.00 -1.23 0.00 0.00 61.79 60.47 2wxr h SER 594 Cb 0.87 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.61 2wxr h SER 594 CO 0.08 0.68 -0.24 0.15 -0.53 0.00 0.00 176.83 176.96 2wxr h PHE 595 N 0.95 0.87 -0.45 2.24 3.57 -1.07 -2.18 116.94 120.88 2wxr h PHE 595 Ca 0.24 -0.24 0.08 0.00 3.53 0.00 0.00 57.97 61.58 2wxr h PHE 595 Cb 0.02 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 38.50 2wxr h PHE 595 CO 0.01 0.98 0.04 0.00 -2.23 0.00 0.00 178.31 177.11 2wxr h ALA 596 N 0.75 0.46 -0.32 2.41 0.00 -0.88 0.16 119.26 121.84 2wxr h ALA 596 Ca 0.06 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 2wxr h ALA 596 Cb 0.80 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.75 2wxr h ALA 596 CO 0.06 -0.36 0.20 0.82 0.00 0.00 0.00 179.25 179.97 2wxr h ILE 597 N 0.16 1.10 -0.08 0.00 1.08 -1.34 0.11 117.51 118.54 2wxr h ILE 597 Ca 0.22 -0.22 0.04 0.00 -0.39 0.00 0.00 64.86 64.51 2wxr h ILE 597 Cb 0.31 0.68 -0.06 0.00 -3.07 0.00 0.00 36.82 34.68 2wxr h ILE 597 CO -0.34 0.10 -0.34 0.50 -0.69 0.00 0.00 178.15 177.39 2wxr h LYS 598 N 0.42 -0.43 0.00 2.37 3.64 -0.66 0.28 116.57 122.19 2wxr h LYS 598 Ca 0.12 0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.49 2wxr h LYS 598 Cb -0.01 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 31.90 2wxr h LYS 598 CO -0.02 -0.28 -0.16 0.77 -2.27 0.00 0.00 179.45 177.48 2wxr h SER 599 N -0.44 0.00 1.70 4.20 0.02 -0.43 -2.11 113.55 116.48 2wxr h SER 599 Ca 0.08 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 2wxr h SER 599 Cb 0.57 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.10 2wxr h SER 599 CO -0.33 0.16 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.31 2wxr h LEU 600 N 0.00 0.00 -1.96 5.07 3.38 0.94 -3.32 115.31 119.42 2wxr h LEU 600 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.01 2wxr h LEU 600 Cb 0.39 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2wxr h LEU 600 CO 0.02 0.15 0.38 0.03 0.09 0.00 0.00 178.44 179.12 2wxr h ARG 601 N 0.00 0.00 0.00 1.13 3.08 0.19 0.44 114.38 119.22 2wxr h ARG 601 Ca -0.00 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 2wxr h ARG 601 Cb 1.04 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 31.09 2wxr h ARG 601 CO 0.02 0.00 -0.14 1.57 -1.07 0.00 0.00 179.97 180.35 2wxr h LYS 602 N 0.00 0.00 -3.97 0.04 2.10 -1.76 -3.45 116.57 109.52 2wxr h LYS 602 Ca 0.07 0.00 -0.48 0.00 -2.00 0.00 0.00 60.65 58.24 2wxr h LYS 602 Cb 0.84 0.00 0.05 0.00 -0.90 0.00 0.00 32.23 32.22 2wxr h LYS 602 CO -0.00 0.09 -0.17 1.28 -2.00 0.00 0.00 179.45 178.65 2wxr n LEU 603 N -3.11 -0.45 -4.83 7.07 4.77 0.14 -4.94 117.00 115.66 2wxr n LEU 603 Ca 0.03 0.76 -0.29 0.00 -0.03 0.00 0.00 56.01 56.48 2wxr n LEU 603 Cb 0.57 -0.62 0.09 0.00 -2.33 0.00 0.00 43.42 41.13 2wxr n LEU 603 CO 0.35 -1.65 0.73 0.42 -1.33 0.00 0.00 177.39 175.92 2wxr s THR 604 N -0.36 2.68 0.16 -5.08 -4.23 -1.26 -4.84 115.64 102.71 2wxr s THR 604 Ca 0.51 0.22 -0.12 0.00 -1.18 0.00 0.00 61.69 61.11 2wxr s THR 604 Cb -0.72 -3.06 0.04 0.00 1.34 0.00 0.00 72.50 70.10 2wxr s THR 604 CO 0.37 -0.29 1.66 0.44 -0.54 0.00 0.00 174.62 176.26 2wxr h ASP 605 N -1.11 0.82 -0.53 3.99 5.19 -1.98 0.13 116.42 122.93 2wxr h ASP 605 Ca -0.47 -0.24 -0.09 0.00 -0.62 0.00 0.00 57.03 55.60 2wxr h ASP 605 Cb 1.29 -0.22 -0.02 0.00 0.18 0.00 0.00 39.33 40.57 2wxr h ASP 605 CO 0.62 0.85 -0.02 0.44 -3.12 0.00 0.00 179.24 178.01 2wxr h ASP 606 N 0.75 0.96 0.47 6.45 3.32 -1.98 0.80 116.42 127.20 2wxr h ASP 606 Ca 0.17 -0.27 -0.02 0.00 0.02 0.00 0.00 57.03 56.92 2wxr h ASP 606 Cb 0.36 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.65 2wxr h ASP 606 CO 0.00 1.03 -0.23 -0.33 -1.72 0.00 0.00 179.24 178.00 2wxr h GLU 607 N 0.90 -0.61 -0.73 3.56 5.08 -1.91 0.23 114.58 121.10 2wxr h GLU 607 Ca 0.16 0.04 0.13 0.00 -1.00 0.00 0.00 59.36 58.69 2wxr h GLU 607 Cb 0.55 0.14 -0.09 0.00 0.50 0.00 0.00 28.75 29.85 2wxr h GLU 607 CO 0.03 -0.39 0.29 1.25 -1.00 0.00 0.00 179.01 179.20 2wxr h LEU 608 N -0.67 0.29 -0.58 1.33 5.85 -0.47 0.86 115.31 121.92 2wxr h LEU 608 Ca -0.06 0.10 0.04 0.00 0.84 0.00 0.00 57.88 58.80 2wxr h LEU 608 Cb 0.50 0.07 -0.04 0.00 0.37 0.00 0.00 40.66 41.56 2wxr h LEU 608 CO 0.11 0.13 0.33 0.15 -0.34 0.00 0.00 178.44 178.81 2wxr h PHE 609 N 0.46 0.60 -0.92 1.25 3.57 0.88 0.17 116.94 122.95 2wxr h PHE 609 Ca 0.39 0.02 0.14 0.00 3.53 0.00 0.00 57.97 62.05 2wxr h PHE 609 Cb 0.56 -0.19 -0.07 0.00 2.79 0.00 0.00 35.95 39.03 2wxr h PHE 609 CO -0.16 0.31 0.59 0.37 -2.23 0.00 0.00 178.31 177.19 2wxr h GLN 610 N 0.63 0.74 -0.02 1.11 5.75 0.13 -2.65 115.11 120.80 2wxr h GLN 610 Ca 0.25 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.70 2wxr h GLN 610 Cb 0.10 -0.17 0.00 0.00 1.07 0.00 0.00 27.48 28.49 2wxr h GLN 610 CO -0.14 0.49 0.00 0.66 -2.65 0.00 0.00 178.83 177.19 2wxr n TYR 611 N -4.58 0.00 -0.29 3.99 4.01 -0.58 -4.63 117.16 115.07 2wxr n TYR 611 Ca 0.18 -0.00 0.12 0.00 -0.16 0.00 0.00 57.90 58.03 2wxr n TYR 611 Cb 0.44 -0.00 0.28 0.00 -0.31 0.00 0.00 39.34 39.75 2wxr n TYR 611 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 2wxr h LEU 612 N 2.98 0.19 -0.74 7.72 5.85 -0.29 -0.56 115.31 130.45 2wxr h LEU 612 Ca 0.00 0.16 0.10 0.00 0.84 0.00 0.00 57.88 58.98 2wxr h LEU 612 Cb 0.63 0.18 -0.07 0.00 0.37 0.00 0.00 40.66 41.77 2wxr h LEU 612 CO 0.00 -0.05 0.37 0.25 -0.34 0.00 0.00 178.44 178.68 2wxr h LEU 613 N 0.33 0.48 -0.18 2.25 5.85 -1.82 -1.93 115.31 120.29 2wxr h LEU 613 Ca 0.53 0.06 -0.22 0.00 0.84 0.00 0.00 57.88 59.09 2wxr h LEU 613 Cb 1.00 -0.02 0.01 0.00 0.37 0.00 0.00 40.66 42.02 2wxr h LEU 613 CO -0.56 0.27 -0.85 1.56 -0.34 0.00 0.00 178.44 178.52 2wxr h GLN 614 N 0.62 0.63 -0.16 1.25 7.50 -1.46 -3.11 115.11 120.37 2wxr h GLN 614 Ca 0.37 -0.57 -0.05 0.00 0.50 0.00 0.00 58.65 58.90 2wxr h GLN 614 Cb 0.40 0.14 -0.01 0.00 0.05 0.00 0.00 27.48 28.06 2wxr h GLN 614 CO -0.28 1.18 -0.12 -0.07 -1.50 0.00 0.00 178.83 178.04 2wxr h LEU 615 N 0.40 0.24 -0.43 1.46 3.38 -1.04 -2.04 115.31 117.28 2wxr h LEU 615 Ca -0.07 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.78 2wxr h LEU 615 Cb 1.47 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 42.15 2wxr h LEU 615 CO 0.16 0.39 -0.03 0.58 0.09 0.00 0.00 178.44 179.63 2wxr h VAL 616 N 0.24 1.27 -0.66 1.22 2.07 -1.40 -3.14 116.25 115.85 2wxr h VAL 616 Ca 0.05 -1.09 -0.09 0.00 0.82 0.00 0.00 66.70 66.39 2wxr h VAL 616 Cb 0.36 1.11 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2wxr h VAL 616 CO 0.02 0.37 0.07 1.56 0.02 0.00 0.00 177.57 179.61 2wxr h GLN 617 N 0.62 1.11 0.00 1.57 1.08 -1.32 -1.20 115.11 116.97 2wxr h GLN 617 Ca 0.12 -0.32 -0.00 0.00 -1.45 0.00 0.00 58.65 57.00 2wxr h GLN 617 Cb 0.54 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 27.85 2wxr h GLN 617 CO 0.03 1.04 -0.01 0.28 -0.95 0.00 0.00 178.83 179.22 2wxr h VAL 618 N 1.03 0.08 -0.96 -0.54 2.07 -1.43 0.12 116.25 116.62 2wxr h VAL 618 Ca 0.19 -0.08 0.18 0.00 0.82 0.00 0.00 66.70 67.81 2wxr h VAL 618 Cb 0.49 1.07 -0.09 0.00 -1.52 0.00 0.00 31.29 31.24 2wxr h VAL 618 CO 0.02 0.01 0.61 -0.07 0.02 0.00 0.00 177.57 178.15 2wxr h LEU 619 N 0.00 0.69 0.00 2.57 3.38 -1.16 -0.53 115.31 120.26 2wxr h LEU 619 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2wxr h LEU 619 Cb 0.07 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.76 2wxr h LEU 619 CO 0.00 0.29 0.00 0.29 0.09 0.00 0.00 178.44 179.11 2wxr n LYS 620 N -4.65 0.01 0.04 1.13 5.02 0.42 -0.40 118.16 119.73 2wxr n LYS 620 Ca 0.21 0.39 0.11 0.00 -2.02 0.00 0.00 58.31 57.00 2wxr n LYS 620 Cb 0.56 -1.50 -0.02 0.00 -0.02 0.00 0.00 35.03 34.05 2wxr n LYS 620 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 2wxr n TYR 621 N -1.40 0.41 -1.83 2.13 4.01 -0.21 -4.72 117.16 115.55 2wxr n TYR 621 Ca 0.00 0.12 -0.38 0.00 -0.16 0.00 0.00 57.90 57.48 2wxr n TYR 621 Cb 0.01 -0.59 0.04 0.00 -0.31 0.00 0.00 39.34 38.49 2wxr n TYR 621 CO 0.00 0.00 0.00 -1.21 -0.46 0.00 0.00 176.86 175.19 2wxr s GLU 622 N -3.30 3.21 -0.05 -0.72 0.41 0.47 -4.95 118.70 113.77 2wxr s GLU 622 Ca 0.01 2.20 0.11 0.00 -0.41 0.00 0.00 54.97 56.87 2wxr s GLU 622 Cb 0.13 -2.28 -0.23 0.00 -1.78 0.00 0.00 34.13 29.97 2wxr s GLU 622 CO 0.82 -1.12 0.63 0.43 -0.49 0.00 0.00 175.26 175.53 2wxr n SER 623 N -0.96 0.99 -4.19 -0.19 7.64 -1.26 -4.82 113.62 110.83 2wxr n SER 623 Ca 0.10 0.40 -0.27 0.00 1.01 0.00 0.00 58.87 60.10 2wxr n SER 623 Cb 0.45 -0.14 -0.08 0.00 -1.01 0.00 0.00 64.21 63.44 2wxr n SER 623 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 2wxr s TYR 624 N -2.59 1.79 -0.16 1.43 2.02 -1.26 -4.85 117.35 113.73 2wxr s TYR 624 Ca -0.06 -1.26 -0.25 0.00 -0.37 0.00 0.00 57.07 55.13 2wxr s TYR 624 Cb 0.08 -1.22 -0.22 0.00 -0.40 0.00 0.00 41.96 40.19 2wxr s TYR 624 CO 0.82 -0.24 0.55 -0.07 -1.57 0.00 0.00 175.55 175.05 2wxr h LEU 625 N 1.69 0.00 -8.93 -1.29 3.38 -1.94 -3.42 115.31 104.79 2wxr h LEU 625 Ca -0.36 -0.79 -0.57 0.00 0.09 0.00 0.00 57.88 56.25 2wxr h LEU 625 Cb 1.28 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.97 2wxr h LEU 625 CO 0.58 1.10 0.90 -0.62 0.09 0.00 0.00 178.44 180.49 2wxr s ASP 626 N -6.35 6.81 0.01 -0.43 2.15 -1.26 -4.92 116.67 112.69 2wxr s ASP 626 Ca -0.21 1.06 -0.14 0.00 0.43 0.00 0.00 52.55 53.69 2wxr s ASP 626 Cb -0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.09 2wxr s ASP 626 CO 0.61 -0.99 0.29 0.00 -0.17 0.00 0.00 175.17 174.92 2wxr h GLU 628 N 3.59 0.49 -0.67 0.00 4.39 -1.95 -1.70 114.58 118.72 2wxr h GLU 628 Ca -0.31 -0.03 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2wxr h GLU 628 Cb 1.19 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 29.69 2wxr h GLU 628 CO 0.43 0.33 0.34 1.25 -1.16 0.00 0.00 179.01 180.20 2wxr h LEU 629 N 0.51 0.85 0.03 1.33 5.85 -1.97 -0.15 115.31 121.76 2wxr h LEU 629 Ca 0.45 -0.08 -0.00 0.00 0.84 0.00 0.00 57.88 59.09 2wxr h LEU 629 Cb 0.69 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2wxr h LEU 629 CO -0.40 0.70 -0.01 0.74 -0.34 0.00 0.00 178.44 179.13 2wxr h THR 630 N 0.94 1.27 -0.80 1.05 2.02 -1.67 0.28 112.91 116.00 2wxr h THR 630 Ca 0.24 -0.93 -0.04 0.00 0.77 0.00 0.00 66.41 66.44 2wxr h THR 630 Cb 0.07 1.89 -0.04 0.00 -1.74 0.00 0.00 68.15 68.33 2wxr h THR 630 CO -0.03 0.24 0.33 0.50 0.37 0.00 0.00 175.52 176.92 2wxr h LYS 631 N -0.45 1.19 0.25 6.66 3.64 -1.32 -0.11 116.57 126.44 2wxr h LYS 631 Ca -0.00 -0.21 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 2wxr h LYS 631 Cb 0.42 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.03 2wxr h LYS 631 CO 0.01 0.96 -0.22 0.35 -2.27 0.00 0.00 179.45 178.27 2wxr h PHE 632 N 1.17 -0.61 -0.78 1.91 3.57 -0.92 0.15 116.94 121.43 2wxr h PHE 632 Ca 0.27 0.00 0.18 0.00 3.53 0.00 0.00 57.97 61.95 2wxr h PHE 632 Cb 0.21 0.24 -0.14 0.00 2.79 0.00 0.00 35.95 39.04 2wxr h PHE 632 CO 0.02 -0.30 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.70 2wxr h LEU 633 N -0.46 -0.43 -0.24 0.59 3.38 -0.76 0.15 115.31 117.54 2wxr h LEU 633 Ca -0.03 0.21 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2wxr h LEU 633 Cb 0.39 0.38 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 2wxr h LEU 633 CO -0.01 -0.21 0.03 0.25 0.09 0.00 0.00 178.44 178.59 2wxr h LEU 634 N 0.07 0.38 -0.26 1.67 5.85 -0.94 0.55 115.31 122.65 2wxr h LEU 634 Ca 0.42 -0.27 0.06 0.00 0.84 0.00 0.00 57.88 58.93 2wxr h LEU 634 Cb 0.73 -0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.60 2wxr h LEU 634 CO -0.71 0.56 -0.13 1.23 -0.34 0.00 0.00 178.44 179.05 2wxr h GLY 635 N 0.19 0.08 1.72 3.75 0.00 -0.21 0.43 103.07 109.04 2wxr h GLY 635 Ca 0.07 0.16 -0.11 0.00 0.00 0.00 0.00 47.33 47.45 2wxr h GLY 635 CO 0.01 -0.15 -0.41 3.21 0.00 0.00 0.00 176.54 179.20 2wxr h ARG 636 N -0.10 0.31 -0.55 4.80 2.47 -0.52 -1.04 114.38 119.74 2wxr h ARG 636 Ca 0.14 -0.15 -0.10 0.00 -1.26 0.00 0.00 59.98 58.61 2wxr h ARG 636 Cb 0.31 -0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.60 2wxr h ARG 636 CO -0.32 0.67 -0.04 0.00 0.56 0.00 0.00 179.97 180.85 2wxr h ALA 637 N 1.31 0.90 0.00 0.04 0.00 0.29 -1.89 119.26 119.91 2wxr h ALA 637 Ca 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.62 2wxr h ALA 637 Cb 0.84 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.42 2wxr h ALA 637 CO 0.07 0.65 -0.07 -0.07 0.00 0.00 0.00 179.25 179.82 2wxr h LEU 638 N 0.89 0.00 -0.29 0.00 3.38 0.11 -3.13 115.31 116.27 2wxr h LEU 638 Ca 0.16 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.12 2wxr h LEU 638 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2wxr h LEU 638 CO 0.03 0.00 -0.41 0.00 0.09 0.00 0.00 178.44 178.16 2wxr n ALA 639 N -2.00 3.39 -3.58 1.53 0.00 -0.42 -4.81 120.51 114.63 2wxr n ALA 639 Ca 0.04 -0.40 -0.19 0.00 0.00 0.00 0.00 53.44 52.89 2wxr n ALA 639 Cb 0.50 -1.09 -0.15 0.00 0.00 0.00 0.00 19.45 18.71 2wxr n ALA 639 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2wxr s ASN 640 N -2.73 1.26 0.35 0.00 3.84 -0.74 -4.58 114.94 112.34 2wxr s ASN 640 Ca 0.18 -0.05 0.09 0.00 0.21 0.00 0.00 52.86 53.29 2wxr s ASN 640 Cb 0.18 0.26 0.64 0.00 -0.55 0.00 0.00 41.25 41.78 2wxr s ASN 640 CO 0.62 -0.30 1.81 -0.09 -2.79 0.00 0.00 177.10 176.35 2wxr h ARG 641 N 8.35 0.18 -0.06 0.43 2.43 -1.52 0.87 114.38 125.06 2wxr h ARG 641 Ca -0.15 -0.06 0.02 0.00 -0.81 0.00 0.00 59.98 58.98 2wxr h ARG 641 Cb 1.14 -0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 30.65 2wxr h ARG 641 CO 0.23 0.47 -0.08 -0.22 -1.51 0.00 0.00 179.97 178.85 2wxr h LYS 642 N 0.17 -0.11 -0.09 0.20 3.64 -1.83 0.81 116.57 119.36 2wxr h LYS 642 Ca 0.02 0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 2wxr h LYS 642 Cb 0.61 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 2wxr h LYS 642 CO 0.04 -0.07 0.05 0.82 -2.27 0.00 0.00 179.45 178.02 2wxr h ILE 643 N -0.11 1.09 -0.53 2.00 1.08 -1.72 -1.61 117.51 117.71 2wxr h ILE 643 Ca 0.05 -0.25 0.10 0.00 -0.39 0.00 0.00 64.86 64.38 2wxr h ILE 643 Cb 0.19 1.09 -0.11 0.00 -3.07 0.00 0.00 36.82 34.92 2wxr h ILE 643 CO -0.13 0.08 -0.25 1.23 -0.69 0.00 0.00 178.15 178.39 2wxr h GLY 644 N 0.05 0.09 -0.08 5.37 0.00 -0.72 0.90 103.07 108.67 2wxr h GLY 644 Ca 0.03 0.33 0.09 0.00 0.00 0.00 0.00 47.33 47.78 2wxr h GLY 644 CO -0.01 -0.22 -0.22 0.84 0.00 0.00 0.00 176.54 176.94 2wxr h HIS 645 N -0.12 -0.56 0.11 5.60 -0.00 0.13 -2.45 115.15 117.87 2wxr h HIS 645 Ca 0.24 0.05 -0.28 0.00 -0.00 0.00 0.00 60.37 60.38 2wxr h HIS 645 Cb 0.50 0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 28.22 2wxr h HIS 645 CO -0.54 -0.30 -1.35 0.74 -0.00 0.00 0.00 177.93 176.47 2wxr h PHE 646 N -0.13 0.44 -0.64 5.26 0.04 -0.38 -2.77 116.94 118.77 2wxr h PHE 646 Ca 0.21 -0.32 0.13 0.00 2.80 0.00 0.00 57.97 60.79 2wxr h PHE 646 Cb 0.46 -0.02 -0.10 0.00 2.20 0.00 0.00 35.95 38.49 2wxr h PHE 646 CO -0.48 1.30 0.11 1.25 -0.60 0.00 0.00 178.31 179.89 2wxr h LEU 647 N 0.07 -0.07 0.25 1.54 5.85 -0.83 0.15 115.31 122.26 2wxr h LEU 647 Ca -0.17 0.13 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2wxr h LEU 647 Cb 1.98 0.20 -0.00 0.00 0.37 0.00 0.00 40.66 43.20 2wxr h LEU 647 CO 0.18 -0.04 -0.16 0.15 -0.34 0.00 0.00 178.44 178.24 2wxr h PHE 648 N 0.22 -0.41 -0.34 1.25 3.57 -1.32 0.79 116.94 120.72 2wxr h PHE 648 Ca 0.34 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.78 2wxr h PHE 648 Cb 0.55 0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.42 2wxr h PHE 648 CO -0.28 -0.25 -0.03 -1.49 -2.23 0.00 0.00 178.31 174.03 2wxr h TRP 649 N -0.39 0.56 -0.73 0.41 4.06 -1.17 1.13 115.95 119.82 2wxr h TRP 649 Ca -0.02 -0.06 -0.05 0.00 2.06 0.00 0.00 58.89 60.81 2wxr h TRP 649 Cb 0.33 -0.16 -0.03 0.00 -1.00 0.00 0.00 29.16 28.30 2wxr h TRP 649 CO -0.09 0.57 0.26 0.45 -3.56 0.00 0.00 178.44 176.06 2wxr h HIS 650 N 0.51 1.14 0.23 0.49 3.86 -0.28 -0.21 115.15 120.88 2wxr h HIS 650 Ca 0.11 -0.10 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 2wxr h HIS 650 Cb 0.37 -0.33 0.00 0.00 1.06 0.00 0.00 27.41 28.51 2wxr h HIS 650 CO 0.01 0.89 -0.11 -0.07 0.86 0.00 0.00 177.93 179.51 2wxr h LEU 651 N 1.06 -0.26 -1.27 2.43 3.38 0.10 -3.26 115.31 117.49 2wxr h LEU 651 Ca 0.24 -0.21 0.28 0.00 0.09 0.00 0.00 57.88 58.28 2wxr h LEU 651 Cb 0.26 0.07 -0.11 0.00 0.09 0.00 0.00 40.66 40.97 2wxr h LEU 651 CO -0.01 0.26 0.67 -0.09 0.09 0.00 0.00 178.44 179.35 2wxr h ARG 652 N -0.98 0.39 0.00 1.13 9.65 0.13 -1.39 114.38 123.32 2wxr h ARG 652 Ca -0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.83 2wxr h ARG 652 Cb 0.45 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.94 2wxr h ARG 652 CO 0.05 0.26 0.00 -1.13 2.80 0.00 0.00 179.97 181.95 2wxr n SER 653 N -4.71 0.00 -0.98 -3.80 3.41 -0.10 -2.40 113.62 105.04 2wxr n SER 653 Ca 0.27 0.41 0.08 0.00 -0.26 0.00 0.00 58.87 59.37 2wxr n SER 653 Cb 0.91 -0.46 0.27 0.00 -0.26 0.00 0.00 64.21 64.66 2wxr n SER 653 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2wxr n GLU 654 N -1.46 3.13 0.23 4.33 1.02 -0.52 -4.19 120.64 123.18 2wxr n GLU 654 Ca 0.06 -2.80 0.16 0.00 -0.02 0.00 0.00 57.16 54.55 2wxr n GLU 654 Cb 0.24 -1.84 0.61 0.00 -0.02 0.00 0.00 31.44 30.44 2wxr n GLU 654 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2wxr h MET 655 N 2.09 0.00 -0.13 3.49 2.86 -1.58 -1.86 114.93 119.80 2wxr h MET 655 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2wxr h MET 655 Cb 1.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.09 2wxr h MET 655 CO 0.23 0.00 0.00 -2.39 1.06 0.00 0.00 176.91 175.81 2wxr n HIS 656 N -2.83 0.17 -3.44 -0.22 1.44 -1.26 -4.64 115.22 104.45 2wxr n HIS 656 Ca 0.01 -0.09 -0.43 0.00 -2.01 0.00 0.00 57.72 55.20 2wxr n HIS 656 Cb 0.29 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.33 2wxr n HIS 656 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2wxr s VAL 657 N -1.83 4.82 0.37 0.61 1.01 -0.70 -4.97 120.40 119.72 2wxr s VAL 657 Ca 0.28 -1.42 0.21 0.00 0.00 0.00 0.00 61.98 61.05 2wxr s VAL 657 Cb 0.14 -4.02 0.36 0.00 0.00 0.00 0.00 36.38 32.86 2wxr s VAL 657 CO 0.22 -0.70 1.59 -0.65 0.00 0.00 0.00 175.10 175.56 2wxr h PRO 658 N 8.67 0.05 0.00 2.72 0.11 -1.87 -0.44 132.00 141.24 2wxr h PRO 658 Ca -0.26 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 2wxr h PRO 658 Cb 1.09 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wxr h PRO 658 CO 0.90 0.03 0.00 0.66 -0.21 0.00 0.00 178.00 179.39 2wxr h SER 659 N 0.05 0.00 -0.00 -2.05 4.64 -1.94 -3.15 113.55 111.10 2wxr h SER 659 Ca 0.83 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 62.15 2wxr h SER 659 Cb 2.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.30 2wxr h SER 659 CO -0.72 0.00 -0.04 1.33 -0.87 0.00 0.00 176.83 176.54 2wxr n VAL 660 N -3.05 0.00 -0.39 0.95 0.24 -0.40 -4.83 118.33 110.85 2wxr n VAL 660 Ca 0.00 -0.48 -0.04 0.00 -2.04 0.00 0.00 64.34 61.79 2wxr n VAL 660 Cb 0.28 1.00 0.00 0.00 -1.47 0.00 0.00 33.84 33.66 2wxr n VAL 660 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wxr n ALA 661 N -0.84 -0.25 0.19 2.33 0.00 -0.31 -1.57 120.51 120.06 2wxr n ALA 661 Ca 0.00 0.94 -0.13 0.00 0.00 0.00 0.00 53.44 54.25 2wxr n ALA 661 Cb 0.02 -0.36 -0.07 0.00 0.00 0.00 0.00 19.45 19.03 2wxr n ALA 661 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxr h LEU 662 N 0.00 -0.43 -0.44 0.00 5.85 -1.88 -1.05 115.31 117.37 2wxr h LEU 662 Ca 0.29 -0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.92 2wxr h LEU 662 Cb 0.54 0.11 -0.08 0.00 0.37 0.00 0.00 40.66 41.60 2wxr h LEU 662 CO -0.96 -0.04 -0.52 -0.09 -0.34 0.00 0.00 178.44 176.49 2wxr h ARG 663 N -0.88 -0.32 -0.81 1.25 2.43 -1.87 0.09 114.38 114.28 2wxr h ARG 663 Ca -0.05 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.19 2wxr h ARG 663 Cb 0.54 0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 2wxr h ARG 663 CO 0.08 -0.21 0.53 0.74 -1.51 0.00 0.00 179.97 179.60 2wxr h PHE 664 N -0.33 0.93 -0.08 2.20 -1.00 -1.32 -2.33 116.94 115.01 2wxr h PHE 664 Ca 0.08 0.02 -0.00 0.00 2.81 0.00 0.00 57.97 60.88 2wxr h PHE 664 Cb 0.53 -0.31 -0.00 0.00 3.61 0.00 0.00 35.95 39.78 2wxr h PHE 664 CO -0.75 0.52 0.04 0.78 -1.61 0.00 0.00 178.31 177.29 2wxr h GLY 665 N 0.95 0.12 1.12 -1.45 0.00 -0.55 -1.51 103.07 101.74 2wxr h GLY 665 Ca 0.33 -0.05 0.02 0.00 0.00 0.00 0.00 47.33 47.63 2wxr h GLY 665 CO -0.11 0.05 0.56 1.41 0.00 0.00 0.00 176.54 178.45 2wxr h LEU 666 N 0.04 0.94 0.11 3.11 3.38 -0.54 -2.06 115.31 120.28 2wxr h LEU 666 Ca 0.03 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.97 2wxr h LEU 666 Cb 0.07 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 40.59 2wxr h LEU 666 CO -0.00 0.67 -0.05 0.40 0.09 0.00 0.00 178.44 179.54 2wxr h ILE 667 N 1.10 1.09 -0.98 1.22 2.04 -1.23 -2.22 117.51 118.52 2wxr h ILE 667 Ca 0.32 -0.81 0.12 0.00 1.00 0.00 0.00 64.86 65.50 2wxr h ILE 667 Cb -0.06 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.53 2wxr h ILE 667 CO -0.08 0.19 0.61 0.24 0.00 0.00 0.00 178.15 179.11 2wxr h MET 668 N -0.52 0.92 0.04 2.37 2.86 -1.04 -1.14 114.93 118.42 2wxr h MET 668 Ca -0.01 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.57 2wxr h MET 668 Cb 0.42 -0.21 0.00 0.00 0.06 0.00 0.00 31.60 31.88 2wxr h MET 668 CO 0.02 0.61 -0.02 1.49 1.06 0.00 0.00 176.91 180.08 2wxr h GLU 669 N 0.95 -0.05 -0.28 1.72 4.81 -1.32 -0.97 114.58 119.44 2wxr h GLU 669 Ca 0.49 0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.78 2wxr h GLU 669 Cb 0.49 0.01 -0.08 0.00 0.63 0.00 0.00 28.75 29.80 2wxr h GLU 669 CO -0.27 0.10 -0.39 0.00 -0.73 0.00 0.00 179.01 177.72 2wxr h ALA 670 N 0.77 -0.42 -0.66 2.92 0.00 -0.77 -1.47 119.26 119.63 2wxr h ALA 670 Ca -0.01 0.04 0.14 0.00 0.00 0.00 0.00 54.91 55.09 2wxr h ALA 670 Cb 0.17 0.78 -0.12 0.00 0.00 0.00 0.00 17.79 18.63 2wxr h ALA 670 CO 0.01 -0.85 -0.05 -0.92 0.00 0.00 0.00 179.25 177.44 2wxr h TYR 671 N -0.38 -0.15 -0.33 0.00 3.20 -1.10 -1.02 116.97 117.20 2wxr h TYR 671 Ca 0.12 0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.07 2wxr h TYR 671 Cb 0.58 0.17 -0.02 0.00 1.54 0.00 0.00 36.73 39.01 2wxr h TYR 671 CO -0.53 -0.22 0.22 0.00 -1.64 0.00 0.00 178.16 175.99 2wxr h ARG 673 N 0.33 0.00 -0.08 0.00 2.47 -0.24 -2.57 114.38 114.30 2wxr h ARG 673 Ca 0.13 0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.67 2wxr h ARG 673 Cb 0.13 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 28.44 2wxr h ARG 673 CO -0.03 0.51 -0.72 0.78 0.56 0.00 0.00 179.97 181.08 2wxr h GLY 674 N 1.73 0.43 -6.02 0.04 0.00 -0.23 -3.41 103.07 95.62 2wxr h GLY 674 Ca -0.01 -0.61 -0.56 0.00 0.00 0.00 0.00 47.33 46.16 2wxr h GLY 674 CO 0.07 0.54 -1.09 -1.26 0.00 0.00 0.00 176.54 174.80 2wxr n SER 675 N -3.84 0.06 -0.31 0.19 2.88 0.01 -4.45 113.62 108.16 2wxr n SER 675 Ca -0.04 -2.67 -0.04 0.00 -1.33 0.00 0.00 58.87 54.79 2wxr n SER 675 Cb 0.70 -0.60 -0.01 0.00 -0.75 0.00 0.00 64.21 63.55 2wxr n SER 675 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2wxr n THR 676 N 1.54 -0.46 -0.08 2.46 -1.04 -0.99 -1.37 114.28 114.34 2wxr n THR 676 Ca 0.22 1.87 -0.10 0.00 -2.04 0.00 0.00 64.05 64.00 2wxr n THR 676 Cb 0.53 -2.41 -0.02 0.00 -1.82 0.00 0.00 70.33 66.61 2wxr n THR 676 CO 0.00 0.00 0.00 -0.74 -0.64 0.00 0.00 175.07 173.69 2wxr h HIS 677 N 0.00 0.39 -0.44 -1.42 -0.00 -1.85 -2.18 115.15 109.65 2wxr h HIS 677 Ca 0.22 -0.01 -0.00 0.00 -0.00 0.00 0.00 60.37 60.58 2wxr h HIS 677 Cb 0.42 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.68 2wxr h HIS 677 CO -0.73 0.32 0.26 1.25 -0.00 0.00 0.00 177.93 179.02 2wxr h HIS 678 N 0.34 0.57 -0.60 5.26 -0.00 -1.64 -1.90 115.15 117.18 2wxr h HIS 678 Ca 0.10 0.00 0.06 0.00 -0.00 0.00 0.00 60.37 60.53 2wxr h HIS 678 Cb 0.06 -0.19 -0.05 0.00 -0.00 0.00 0.00 27.41 27.23 2wxr h HIS 678 CO -0.03 0.39 0.30 1.98 -0.00 0.00 0.00 177.93 180.57 2wxr h MET 679 N 0.60 0.55 -0.53 5.26 -1.53 -0.59 0.06 114.93 118.75 2wxr h MET 679 Ca 0.16 -0.03 0.00 0.00 -3.44 0.00 0.00 59.70 56.39 2wxr h MET 679 Cb -0.01 -0.12 -0.03 0.00 -0.55 0.00 0.00 31.60 30.89 2wxr h MET 679 CO -0.03 0.36 0.34 0.87 0.14 0.00 0.00 176.91 178.60 2wxr h LYS 680 N 0.57 0.71 -0.78 0.39 1.57 -1.02 -0.69 116.57 117.32 2wxr h LYS 680 Ca 0.27 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.99 2wxr h LYS 680 Cb 0.20 -0.16 -0.04 0.00 0.08 0.00 0.00 32.23 32.32 2wxr h LYS 680 CO -0.19 0.49 0.44 0.28 -0.57 0.00 0.00 179.45 179.89 2wxr h VAL 681 N 0.72 1.23 -0.12 0.50 2.07 -0.84 -1.92 116.25 117.89 2wxr h VAL 681 Ca 0.19 -0.56 -0.15 0.00 0.82 0.00 0.00 66.70 67.01 2wxr h VAL 681 Cb -0.06 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 29.86 2wxr h VAL 681 CO -0.04 0.25 -0.56 -0.07 0.02 0.00 0.00 177.57 177.17 2wxr h LEU 682 N 1.09 0.41 -0.31 2.57 3.38 -0.47 -2.75 115.31 119.23 2wxr h LEU 682 Ca 0.28 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.06 2wxr h LEU 682 Cb 0.02 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 2wxr h LEU 682 CO -0.05 0.88 0.10 0.24 0.09 0.00 0.00 178.44 179.71 2wxr h MET 683 N 0.28 0.23 -0.58 1.13 2.86 -0.68 0.12 114.93 118.29 2wxr h MET 683 Ca 0.00 -0.01 0.12 0.00 -2.06 0.00 0.00 59.70 57.75 2wxr h MET 683 Cb 1.07 -0.05 -0.11 0.00 0.06 0.00 0.00 31.60 32.57 2wxr h MET 683 CO 0.09 0.15 -0.10 -0.22 1.06 0.00 0.00 176.91 177.90 2wxr h LYS 684 N 0.24 0.03 0.13 1.72 1.63 -1.19 0.17 116.57 119.30 2wxr h LYS 684 Ca 0.14 -0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 59.93 2wxr h LYS 684 Cb 0.11 -0.01 -0.00 0.00 -0.60 0.00 0.00 32.23 31.73 2wxr h LYS 684 CO -0.14 0.02 -0.07 1.96 -3.45 0.00 0.00 179.45 177.77 2wxr h GLN 685 N 0.03 -0.18 -0.67 1.90 4.20 -1.06 -2.22 115.11 117.11 2wxr h GLN 685 Ca 0.29 0.01 -0.01 0.00 0.06 0.00 0.00 58.65 59.00 2wxr h GLN 685 Cb 0.45 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 28.23 2wxr h GLN 685 CO -0.56 -0.12 0.38 0.78 -0.67 0.00 0.00 178.83 178.63 2wxr h GLY 686 N -0.19 0.98 1.24 3.46 0.00 -0.28 -1.36 103.07 106.93 2wxr h GLY 686 Ca -0.02 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 46.90 2wxr h GLY 686 CO 0.02 0.41 0.51 0.83 0.00 0.00 0.00 176.54 178.31 2wxr h GLU 687 N 0.93 1.00 -0.43 4.80 5.08 -0.56 0.17 114.58 125.57 2wxr h GLU 687 Ca 0.24 -0.06 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 2wxr h GLU 687 Cb 0.01 -0.23 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2wxr h GLU 687 CO -0.04 0.66 -0.25 0.00 -1.00 0.00 0.00 179.01 178.39 2wxr h ALA 688 N 1.52 0.75 -0.01 3.43 0.00 -0.64 -2.88 119.26 121.43 2wxr h ALA 688 Ca 0.28 -0.40 -0.16 0.00 0.00 0.00 0.00 54.91 54.64 2wxr h ALA 688 Cb -0.11 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.51 2wxr h ALA 688 CO -0.06 0.66 -0.73 -0.07 0.00 0.00 0.00 179.25 179.05 2wxr h LEU 689 N 0.77 0.11 -0.44 0.00 3.38 -0.61 -1.18 115.31 117.35 2wxr h LEU 689 Ca 0.10 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2wxr h LEU 689 Cb 0.80 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.50 2wxr h LEU 689 CO 0.07 0.80 0.06 -1.28 0.09 0.00 0.00 178.44 178.18 2wxr h SER 690 N 0.06 0.70 -0.32 -0.43 0.87 -0.69 -2.11 113.55 111.63 2wxr h SER 690 Ca -0.02 -0.26 -0.01 0.00 -1.23 0.00 0.00 61.79 60.27 2wxr h SER 690 Cb 1.28 -0.19 -0.01 0.00 -0.44 0.00 0.00 62.40 63.04 2wxr h SER 690 CO 0.10 0.79 0.17 0.11 -0.53 0.00 0.00 176.83 177.47 2wxr h LYS 691 N 0.58 0.44 -0.90 2.24 1.79 -1.26 -2.82 116.57 116.65 2wxr h LYS 691 Ca 0.13 -0.05 0.07 0.00 -2.18 0.00 0.00 60.65 58.62 2wxr h LYS 691 Cb 0.39 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.89 2wxr h LYS 691 CO 0.01 0.37 0.58 -0.07 -1.08 0.00 0.00 179.45 179.27 2wxr h LEU 692 N 0.39 0.89 -0.87 2.94 3.38 -1.24 0.22 115.31 121.03 2wxr h LEU 692 Ca 0.11 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.10 2wxr h LEU 692 Cb 0.06 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.58 2wxr h LEU 692 CO -0.02 0.57 0.58 0.50 0.09 0.00 0.00 178.44 180.16 2wxr h LYS 693 N 1.01 1.14 -0.08 1.13 1.63 -1.17 0.72 116.57 120.96 2wxr h LYS 693 Ca 0.39 -0.07 -0.18 0.00 -0.85 0.00 0.00 60.65 59.94 2wxr h LYS 693 Cb 0.21 -0.26 -0.01 0.00 -0.60 0.00 0.00 32.23 31.57 2wxr h LYS 693 CO -0.15 0.75 -0.73 0.00 -3.45 0.00 0.00 179.45 175.88 2wxr h ALA 694 N 1.32 0.61 -0.17 5.00 0.00 -0.82 -1.55 119.26 123.65 2wxr h ALA 694 Ca 0.32 -0.61 -0.19 0.00 0.00 0.00 0.00 54.91 54.44 2wxr h ALA 694 Cb -0.12 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 17.61 2wxr h ALA 694 CO -0.07 0.76 -0.66 1.25 0.00 0.00 0.00 179.25 180.53 2wxr h LEU 695 N 0.27 0.76 -0.59 0.00 5.85 -0.09 -2.03 115.31 119.48 2wxr h LEU 695 Ca -0.03 -0.46 -0.03 0.00 0.84 0.00 0.00 57.88 58.20 2wxr h LEU 695 Cb 1.30 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.08 2wxr h LEU 695 CO 0.12 1.22 0.26 -1.13 -0.34 0.00 0.00 178.44 178.57 2wxr h ASN 696 N 0.48 0.80 -0.58 1.25 -0.73 0.53 -1.81 115.58 115.52 2wxr h ASN 696 Ca -0.02 -0.15 0.05 0.00 1.87 0.00 0.00 56.30 58.05 2wxr h ASN 696 Cb 1.25 -0.21 -0.05 0.00 0.27 0.00 0.00 38.32 39.59 2wxr h ASN 696 CO 0.13 0.73 0.31 0.44 -0.37 0.00 0.00 177.43 178.67 2wxr h ASP 697 N 0.81 0.45 -0.35 1.15 3.32 -1.16 -0.52 116.42 120.12 2wxr h ASP 697 Ca 0.20 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2wxr h ASP 697 Cb 0.17 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2wxr h ASP 697 CO -0.02 0.30 0.22 0.15 -1.72 0.00 0.00 179.24 178.18 2wxr h PHE 698 N 0.59 0.46 -0.61 4.55 3.57 -1.13 -1.97 116.94 122.40 2wxr h PHE 698 Ca 0.26 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.78 2wxr h PHE 698 Cb 0.15 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 2wxr h PHE 698 CO -0.09 0.31 0.39 0.28 -2.23 0.00 0.00 178.31 176.97 2wxr h VAL 699 N 0.47 1.11 -0.66 1.41 2.07 -1.03 0.15 116.25 119.78 2wxr h VAL 699 Ca 0.13 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.43 2wxr h VAL 699 Cb -0.02 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 29.96 2wxr h VAL 699 CO -0.03 0.14 0.38 0.11 0.02 0.00 0.00 177.57 178.19 2wxr h LYS 700 N 0.78 0.69 0.51 1.57 1.57 -0.76 -0.95 116.57 119.98 2wxr h LYS 700 Ca 0.24 -0.04 -0.03 0.00 -1.87 0.00 0.00 60.65 58.95 2wxr h LYS 700 Cb -0.03 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.13 2wxr h LYS 700 CO -0.08 0.46 -0.25 0.28 -0.57 0.00 0.00 179.45 179.29 2wxr h VAL 701 N 0.71 0.14 -0.78 0.50 2.07 -0.91 -3.27 116.25 114.72 2wxr h VAL 701 Ca 0.28 -0.50 0.16 0.00 0.82 0.00 0.00 66.70 67.46 2wxr h VAL 701 Cb 0.13 0.22 -0.15 0.00 -1.52 0.00 0.00 31.29 29.97 2wxr h VAL 701 CO -0.15 0.03 -0.16 -1.28 0.02 0.00 0.00 177.57 176.02 2wxr h SER 702 N -1.13 -0.67 0.40 0.57 0.87 -0.71 -1.40 113.55 111.49 2wxr h SER 702 Ca -0.07 0.23 -0.02 0.00 -1.23 0.00 0.00 61.79 60.70 2wxr h SER 702 Cb 0.57 0.46 -0.00 0.00 -0.44 0.00 0.00 62.40 63.00 2wxr h SER 702 CO 0.12 -0.25 -0.08 0.77 -0.53 0.00 0.00 176.83 176.86 2wxr h SER 703 N 0.01 0.00 1.12 6.23 4.64 -1.25 -0.89 113.55 123.41 2wxr h SER 703 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 2wxr h SER 703 Cb 0.61 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.70 2wxr h SER 703 CO -0.79 0.08 0.00 0.00 -0.87 0.00 0.00 176.83 175.25 2wxr n GLN 704 N -3.46 0.12 0.00 4.77 1.13 -0.53 -3.89 117.38 115.52 2wxr n GLN 704 Ca -0.02 0.15 0.01 0.00 -1.94 0.00 0.00 57.00 55.20 2wxr n GLN 704 Cb 0.22 -1.66 0.00 0.00 0.11 0.00 0.00 30.24 28.91 2wxr n GLN 704 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2wxr n LYS 705 N -1.88 1.95 -3.81 -1.09 5.02 -0.40 -5.09 118.16 112.85 2wxr n LYS 705 Ca 0.06 -0.38 -0.05 0.00 -2.02 0.00 0.00 58.31 55.91 2wxr n LYS 705 Cb 0.35 -0.86 -0.02 0.00 -0.02 0.00 0.00 35.03 34.48 2wxr n LYS 705 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 2wxr s THR 706 N -0.52 0.00 0.48 -0.18 -1.32 -0.81 -5.10 115.64 108.20 2wxr s THR 706 Ca 0.01 -0.84 -0.21 0.00 -1.21 0.00 0.00 61.69 59.44 2wxr s THR 706 Cb 0.01 -2.03 -0.08 0.00 -1.51 0.00 0.00 72.50 68.89 2wxr s THR 706 CO 0.04 0.00 1.06 0.42 -2.21 0.00 0.00 174.62 173.93 2wxr s THR 707 N -3.56 3.64 0.34 5.08 -4.23 -1.26 -4.62 115.64 111.02 2wxr s THR 707 Ca 0.12 1.07 0.07 0.00 -1.18 0.00 0.00 61.69 61.78 2wxr s THR 707 Cb -0.04 -3.46 0.32 0.00 1.34 0.00 0.00 72.50 70.65 2wxr s THR 707 CO 0.05 -0.17 1.84 0.50 -0.54 0.00 0.00 174.62 176.30 2wxr h LYS 708 N 1.70 0.73 -0.73 3.99 3.64 -1.96 -0.65 116.57 123.29 2wxr h LYS 708 Ca -0.49 -0.04 -0.02 0.00 -1.27 0.00 0.00 60.65 58.82 2wxr h LYS 708 Cb 1.23 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.85 2wxr h LYS 708 CO 0.59 0.48 0.37 -1.35 -2.27 0.00 0.00 179.45 177.27 2wxr h PRO 709 N 0.75 1.03 -0.39 1.90 0.11 -2.00 -1.96 132.00 131.44 2wxr h PRO 709 Ca 0.49 -0.13 -0.15 0.00 0.11 0.00 0.00 66.00 66.31 2wxr h PRO 709 Cb 0.74 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.65 2wxr h PRO 709 CO -0.25 0.78 -0.35 1.96 -0.21 0.00 0.00 178.00 179.93 2wxr h GLN 710 N 1.03 0.90 -0.39 1.05 4.20 -1.51 -2.62 115.11 117.77 2wxr h GLN 710 Ca 0.25 -0.45 -0.06 0.00 0.06 0.00 0.00 58.65 58.45 2wxr h GLN 710 Cb 0.08 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.84 2wxr h GLN 710 CO -0.04 1.10 -0.02 1.15 -0.67 0.00 0.00 178.83 180.35 2wxr h THR 711 N 0.74 1.22 -0.48 -0.54 2.02 -1.21 -2.08 112.91 112.59 2wxr h THR 711 Ca 0.07 -0.92 -0.09 0.00 0.77 0.00 0.00 66.41 66.24 2wxr h THR 711 Cb 0.93 0.95 -0.02 0.00 -1.74 0.00 0.00 68.15 68.28 2wxr h THR 711 CO 0.09 0.32 -0.04 0.50 0.37 0.00 0.00 175.52 176.75 2wxr h LYS 712 N 0.59 0.88 -0.79 6.66 3.64 -1.08 0.12 116.57 126.59 2wxr h LYS 712 Ca 0.12 -0.30 -0.05 0.00 -1.27 0.00 0.00 60.65 59.15 2wxr h LYS 712 Cb 0.41 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.13 2wxr h LYS 712 CO 0.02 0.94 0.31 0.93 -2.27 0.00 0.00 179.45 179.37 2wxr h GLU 713 N 0.73 1.19 0.00 1.90 4.39 -1.30 -2.06 114.58 119.43 2wxr h GLU 713 Ca 0.13 -0.22 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 2wxr h GLU 713 Cb 0.57 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2wxr h GLU 713 CO 0.03 0.96 -0.07 0.52 -1.16 0.00 0.00 179.01 179.30 2wxr h MET 714 N 1.15 0.00 -0.06 2.33 2.86 -0.88 -1.57 114.93 118.76 2wxr h MET 714 Ca 0.26 0.00 -0.13 0.00 -2.06 0.00 0.00 59.70 57.78 2wxr h MET 714 Cb 0.23 0.00 0.01 0.00 0.06 0.00 0.00 31.60 31.89 2wxr h MET 714 CO -0.02 0.07 -0.45 1.98 1.06 0.00 0.00 176.91 179.55 2wxr h MET 715 N 0.00 0.42 -0.38 1.72 1.85 -0.49 -2.80 114.93 115.24 2wxr h MET 715 Ca -0.00 -0.36 0.06 0.00 -0.61 0.00 0.00 59.70 58.78 2wxr h MET 715 Cb 0.77 0.08 -0.05 0.00 0.43 0.00 0.00 31.60 32.83 2wxr h MET 715 CO 0.01 1.01 0.08 0.45 -0.40 0.00 0.00 176.91 178.06 2wxr h HIS 716 N -0.05 0.13 -0.92 1.39 -0.00 -1.19 0.10 115.15 114.61 2wxr h HIS 716 Ca -0.04 0.02 0.01 0.00 -0.00 0.00 0.00 60.37 60.36 2wxr h HIS 716 Cb 1.12 -0.00 -0.05 0.00 -0.00 0.00 0.00 27.41 28.48 2wxr h HIS 716 CO 0.13 0.02 0.61 0.52 -0.00 0.00 0.00 177.93 179.21 2wxr h MET 717 N 0.21 1.21 -0.35 2.45 2.86 -1.33 0.39 114.93 120.36 2wxr h MET 717 Ca 0.18 -0.07 -0.04 0.00 -2.06 0.00 0.00 59.70 57.71 2wxr h MET 717 Cb 0.21 -0.27 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 2wxr h MET 717 CO -0.24 0.80 0.06 0.00 1.06 0.00 0.00 176.91 178.59 2wxr h MET 719 N 0.41 0.49 0.00 0.00 2.86 -0.34 -2.62 114.93 115.73 2wxr h MET 719 Ca 0.11 -0.07 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 2wxr h MET 719 Cb 0.35 -0.09 0.00 0.00 0.06 0.00 0.00 31.60 31.92 2wxr h MET 719 CO 0.01 0.43 0.00 0.54 1.06 0.00 0.00 176.91 178.95 2wxr n ARG 720 N -4.37 0.08 -1.73 1.72 1.74 0.08 -3.05 116.66 111.12 2wxr n ARG 720 Ca 0.02 0.20 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 2wxr n ARG 720 Cb 0.16 -1.62 -0.01 0.00 -1.02 0.00 0.00 32.46 29.98 2wxr n ARG 720 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 2wxr n GLN 721 N -1.76 2.37 -0.24 5.56 6.02 -0.99 -4.76 117.38 123.58 2wxr n GLN 721 Ca 0.05 0.83 -0.02 0.00 -0.01 0.00 0.00 57.00 57.85 2wxr n GLN 721 Cb 0.27 -2.49 0.04 0.00 1.02 0.00 0.00 30.24 29.09 2wxr n GLN 721 CO 0.00 0.00 0.00 0.93 -1.01 0.00 0.00 177.06 176.98 2wxr h GLU 722 N 2.94 -0.08 -0.22 -1.09 5.08 -1.89 -0.00 114.58 119.32 2wxr h GLU 722 Ca -0.48 0.01 0.05 0.00 -1.00 0.00 0.00 59.36 57.93 2wxr h GLU 722 Cb 1.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 2wxr h GLU 722 CO 0.65 -0.05 0.15 1.79 -1.00 0.00 0.00 179.01 180.55 2wxr h THR 723 N -0.08 0.94 0.08 1.13 1.35 -1.92 -1.30 112.91 113.10 2wxr h THR 723 Ca 0.30 -0.03 -0.13 0.00 -0.55 0.00 0.00 66.41 65.99 2wxr h THR 723 Cb 0.55 0.84 0.01 0.00 -1.73 0.00 0.00 68.15 67.82 2wxr h THR 723 CO -0.74 0.02 -0.62 1.88 -0.25 0.00 0.00 175.52 175.80 2wxr h TYR 724 N 0.09 0.30 -0.41 4.73 -1.99 -1.28 -1.90 116.97 116.50 2wxr h TYR 724 Ca 0.10 -0.22 -0.01 0.00 2.00 0.00 0.00 58.73 60.61 2wxr h TYR 724 Cb 0.29 -0.01 -0.02 0.00 2.00 0.00 0.00 36.73 38.99 2wxr h TYR 724 CO -0.00 1.24 0.23 0.52 -0.00 0.00 0.00 178.16 180.15 2wxr h MET 725 N -0.63 0.56 -0.02 4.88 2.86 -0.97 0.18 114.93 121.79 2wxr h MET 725 Ca -0.12 -0.05 -0.10 0.00 -2.06 0.00 0.00 59.70 57.37 2wxr h MET 725 Cb 1.40 -0.12 0.01 0.00 0.06 0.00 0.00 31.60 32.95 2wxr h MET 725 CO 0.06 0.41 -0.37 0.93 1.06 0.00 0.00 176.91 179.01 2wxr h GLU 726 N 0.57 0.28 -0.50 1.72 5.08 -1.37 -2.99 114.58 117.38 2wxr h GLU 726 Ca 0.15 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.18 2wxr h GLU 726 Cb 0.01 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2wxr h GLU 726 CO -0.03 0.97 0.12 0.00 -1.00 0.00 0.00 179.01 179.07 2wxr h ALA 727 N 0.32 0.66 -0.19 3.43 0.00 -0.60 -3.10 119.26 119.78 2wxr h ALA 727 Ca -0.04 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2wxr h ALA 727 Cb 1.08 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.68 2wxr h ALA 727 CO 0.07 0.35 0.00 1.28 0.00 0.00 0.00 179.25 180.95 2wxr n LEU 728 N -4.46 1.09 -4.54 0.00 4.77 0.58 -4.17 117.00 110.28 2wxr n LEU 728 Ca 0.01 -0.53 -0.24 0.00 -0.03 0.00 0.00 56.01 55.22 2wxr n LEU 728 Cb 0.22 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.10 2wxr n LEU 728 CO 0.40 0.27 -0.42 -0.44 -1.33 0.00 0.00 177.39 175.86 2wxr s SER 729 N -1.10 3.97 -1.08 -1.43 0.01 -1.13 -4.55 113.70 108.40 2wxr s SER 729 Ca 0.17 -0.86 -0.16 0.00 1.31 0.00 0.00 55.95 56.41 2wxr s SER 729 Cb 0.09 -0.52 -0.02 0.00 0.21 0.00 0.00 66.02 65.78 2wxr s SER 729 CO 0.12 0.03 0.80 1.41 0.41 0.00 0.00 173.24 176.01 2wxr n HIS 730 N -0.67 -2.09 -4.42 2.43 8.25 0.12 -4.95 115.22 113.90 2wxr n HIS 730 Ca -0.06 0.58 -0.20 0.00 -0.26 0.00 0.00 57.72 57.78 2wxr n HIS 730 Cb 0.59 -3.57 -0.11 0.00 1.12 0.00 0.00 29.99 28.03 2wxr n HIS 730 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2wxr s LEU 731 N -6.04 2.08 0.00 2.41 2.34 -0.02 -5.00 118.68 114.45 2wxr s LEU 731 Ca 0.42 -1.37 -0.14 0.00 0.06 0.00 0.00 54.13 53.10 2wxr s LEU 731 Cb -0.13 -0.31 -0.06 0.00 -0.56 0.00 0.00 46.19 45.14 2wxr s LEU 731 CO 0.83 -0.62 0.40 -1.10 -1.06 0.00 0.00 176.35 174.80 2wxr s GLN 732 N -3.91 3.89 0.07 1.48 -0.21 -1.26 0.24 119.66 119.96 2wxr s GLN 732 Ca 0.36 0.38 -0.31 0.00 0.02 0.00 0.00 55.36 55.82 2wxr s GLN 732 Cb 0.08 -3.21 -0.07 0.00 1.00 0.00 0.00 33.01 30.81 2wxr s GLN 732 CO 0.15 0.69 1.46 0.45 -2.12 0.00 0.00 175.29 175.91 2wxr s SER 733 N -1.12 6.77 0.53 5.90 0.15 -0.46 -4.86 113.70 120.62 2wxr s SER 733 Ca 0.24 2.30 0.21 0.00 0.70 0.00 0.00 55.95 59.40 2wxr s SER 733 Cb -0.16 -2.57 1.41 0.00 -1.71 0.00 0.00 66.02 62.98 2wxr s SER 733 CO 0.13 -0.73 2.15 -0.65 1.20 0.00 0.00 173.24 175.34 2wxr h PRO 734 N 7.47 0.00 0.00 5.44 0.11 -1.97 -1.55 132.00 141.51 2wxr h PRO 734 Ca -0.41 0.00 -0.03 0.00 0.11 0.00 0.00 66.00 65.67 2wxr h PRO 734 Cb 1.20 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 2wxr h PRO 734 CO 0.89 0.04 -0.15 -0.07 -0.21 0.00 0.00 178.00 178.50 2wxr h LEU 735 N 0.00 0.00 -6.00 2.35 3.38 -1.95 -3.43 115.31 109.67 2wxr h LEU 735 Ca -0.00 0.00 0.15 0.00 0.09 0.00 0.00 57.88 58.12 2wxr h LEU 735 Cb 0.07 0.00 -0.20 0.00 0.09 0.00 0.00 40.66 40.62 2wxr h LEU 735 CO 0.00 0.15 -0.12 -0.62 0.09 0.00 0.00 178.44 177.94 2wxr s ASP 736 N -6.22 -0.93 0.38 -0.43 2.15 -0.60 -4.91 116.67 106.12 2wxr s ASP 736 Ca -0.02 0.32 0.27 0.00 0.43 0.00 0.00 52.55 53.55 2wxr s ASP 736 Cb 0.13 1.68 1.38 0.00 -0.30 0.00 0.00 42.92 45.80 2wxr s ASP 736 CO 0.60 -0.17 1.81 1.55 -0.17 0.00 0.00 175.17 178.79 2wxr h PRO 737 N 7.80 0.00 -0.00 4.34 0.13 -1.78 -1.04 132.00 141.45 2wxr h PRO 737 Ca -0.11 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.02 2wxr h PRO 737 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2wxr h PRO 737 CO 0.04 0.00 -0.11 -1.13 -0.23 0.00 0.00 178.00 176.57 2wxr n SER 738 N -2.44 0.45 -4.60 1.44 3.41 -1.26 -4.58 113.62 106.04 2wxr n SER 738 Ca -0.01 -0.53 -0.39 0.00 -0.26 0.00 0.00 58.87 57.68 2wxr n SER 738 Cb 0.09 -0.08 -0.10 0.00 -0.26 0.00 0.00 64.21 63.86 2wxr n SER 738 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2wxr s THR 739 N -2.50 5.22 -0.16 6.66 2.01 -0.39 0.05 115.64 126.52 2wxr s THR 739 Ca 0.28 0.42 -0.21 0.00 0.31 0.00 0.00 61.69 62.49 2wxr s THR 739 Cb 0.20 -3.65 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 2wxr s THR 739 CO 0.48 0.17 0.62 -0.76 -0.69 0.00 0.00 174.62 174.44 2wxr s LEU 740 N 1.97 4.20 -0.51 4.42 1.43 -1.26 -1.35 118.68 127.58 2wxr s LEU 740 Ca 0.12 0.89 -0.14 0.00 -1.03 0.00 0.00 54.13 53.97 2wxr s LEU 740 Cb -0.16 -2.89 0.12 0.00 0.03 0.00 0.00 46.19 43.29 2wxr s LEU 740 CO 0.10 -0.20 0.44 -0.76 0.23 0.00 0.00 176.35 176.17 2wxr s LEU 741 N 1.50 5.96 0.00 1.79 1.43 0.14 -4.94 118.68 124.56 2wxr s LEU 741 Ca 0.30 -1.72 0.00 0.00 -1.03 0.00 0.00 54.13 51.68 2wxr s LEU 741 Cb -0.16 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.90 2wxr s LEU 741 CO 0.12 -0.78 0.00 -0.62 0.23 0.00 0.00 176.35 175.30 2wxr n GLU 742 N 5.17 0.00 -3.27 1.70 -0.58 -1.26 -0.84 120.64 121.55 2wxr n GLU 742 Ca -0.12 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.22 2wxr n GLU 742 Cb 0.41 0.00 -0.08 0.00 -0.57 0.00 0.00 31.44 31.20 2wxr n GLU 742 CO 0.00 0.00 0.00 -1.83 -0.48 0.00 0.00 177.13 174.82 2wxr s GLU 743 N 0.19 4.00 0.20 3.49 1.03 -0.70 -0.70 118.70 126.22 2wxr s GLU 743 Ca 0.00 0.20 -0.31 0.00 0.03 0.00 0.00 54.97 54.89 2wxr s GLU 743 Cb 0.00 -3.67 -0.10 0.00 -0.80 0.00 0.00 34.13 29.56 2wxr s GLU 743 CO 0.00 -0.37 1.45 0.54 -1.33 0.00 0.00 175.26 175.55 2wxr s VAL 744 N 2.26 2.81 -0.72 1.83 0.11 -1.26 -0.45 120.40 124.99 2wxr s VAL 744 Ca 0.19 0.63 -0.19 0.00 -2.93 0.00 0.00 61.98 59.69 2wxr s VAL 744 Cb -0.16 -3.40 0.12 0.00 -1.53 0.00 0.00 36.38 31.41 2wxr s VAL 744 CO 0.10 0.08 0.86 0.00 -3.33 0.00 0.00 175.10 172.81 2wxr h VAL 746 N 5.77 0.43 -0.22 0.00 2.07 -1.92 -2.11 116.25 120.28 2wxr h VAL 746 Ca -0.13 -0.11 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 2wxr h VAL 746 Cb 1.06 0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 2wxr h VAL 746 CO 1.07 0.06 -0.19 -0.33 0.02 0.00 0.00 177.57 178.20 2wxr h GLU 747 N 0.32 0.38 0.00 1.57 4.39 -1.97 -1.18 114.58 118.09 2wxr h GLU 747 Ca 0.54 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 60.12 2wxr h GLU 747 Cb 1.03 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 29.65 2wxr h GLU 747 CO -0.56 0.56 -0.19 1.04 -1.16 0.00 0.00 179.01 178.70 2wxr n GLN 748 N -4.18 0.05 -2.46 2.33 1.13 -0.83 -4.87 117.38 108.55 2wxr n GLN 748 Ca -0.00 0.03 -0.35 0.00 -1.94 0.00 0.00 57.00 54.73 2wxr n GLN 748 Cb 0.35 -1.55 -0.03 0.00 0.11 0.00 0.00 30.24 29.12 2wxr n GLN 748 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2wxr n THR 750 N -0.66 0.00 -4.01 0.00 5.66 -0.29 -4.99 114.28 109.99 2wxr n THR 750 Ca 0.08 0.00 -0.08 0.00 -3.05 0.00 0.00 64.05 61.00 2wxr n THR 750 Cb 0.51 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.18 2wxr n THR 750 CO 0.00 0.00 0.00 0.72 -3.05 0.00 0.00 175.07 172.74 2wxr s PHE 751 N -6.38 0.35 0.12 1.09 -0.12 -1.26 -0.82 117.98 110.96 2wxr s PHE 751 Ca 0.00 -0.74 -0.06 0.00 -0.05 0.00 0.00 56.93 56.09 2wxr s PHE 751 Cb 0.00 -0.26 -0.06 0.00 -0.63 0.00 0.00 43.02 42.08 2wxr s PHE 751 CO 0.00 -0.30 0.37 -1.64 -0.05 0.00 0.00 175.22 173.60 2wxr s MET 752 N -2.69 3.63 -0.20 1.99 -1.94 -0.44 -4.94 119.30 114.72 2wxr s MET 752 Ca -0.04 -0.05 0.01 0.00 -1.71 0.00 0.00 55.69 53.90 2wxr s MET 752 Cb -0.01 -2.89 0.28 0.00 2.01 0.00 0.00 34.83 34.22 2wxr s MET 752 CO -0.05 0.49 1.44 -0.25 -0.01 0.00 0.00 175.02 176.64 2wxr n ASP 753 N 0.28 3.56 -3.99 3.03 9.92 -1.26 -3.73 116.55 124.35 2wxr n ASP 753 Ca -0.04 -2.71 -0.31 0.00 -0.53 0.00 0.00 54.79 51.20 2wxr n ASP 753 Cb 0.52 -0.68 -0.14 0.00 -0.64 0.00 0.00 41.12 40.18 2wxr n ASP 753 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2wxr s SER 754 N 0.05 4.57 0.00 -2.24 1.04 -1.26 -4.94 113.70 110.93 2wxr s SER 754 Ca 0.24 -2.67 0.00 0.00 0.48 0.00 0.00 55.95 54.00 2wxr s SER 754 Cb 0.20 -1.66 0.00 0.00 0.10 0.00 0.00 66.02 64.66 2wxr s SER 754 CO 0.04 -0.30 0.00 0.29 0.98 0.00 0.00 173.24 174.25 2wxr n LYS 755 N 3.58 0.00 0.00 4.02 4.01 -1.26 -2.85 118.16 125.66 2wxr n LYS 755 Ca 0.05 0.00 0.14 0.00 -0.51 0.00 0.00 58.31 57.99 2wxr n LYS 755 Cb 0.36 0.00 0.78 0.00 -0.51 0.00 0.00 35.03 35.67 2wxr n LYS 755 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2wxr n MET 756 N 0.00 0.62 -3.47 1.97 2.81 -1.26 -4.93 117.12 112.86 2wxr n MET 756 Ca 0.00 0.01 -0.20 0.00 -1.81 0.00 0.00 57.70 55.70 2wxr n MET 756 Cb 0.00 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.04 2wxr n MET 756 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2wxr n LYS 757 N -1.17 -1.48 -1.93 0.03 4.01 -1.13 -4.69 118.16 111.79 2wxr n LYS 757 Ca 0.17 0.82 -0.40 0.00 -0.51 0.00 0.00 58.31 58.39 2wxr n LYS 757 Cb 0.18 -4.60 0.00 0.00 -0.51 0.00 0.00 35.03 30.10 2wxr n LYS 757 CO 0.00 0.00 0.00 -2.14 -1.11 0.00 0.00 177.40 174.15 2wxr s PRO 758 N -4.84 3.97 0.13 1.97 0.02 -1.24 -4.73 135.00 130.28 2wxr s PRO 758 Ca 0.30 2.33 -0.23 0.00 0.02 0.00 0.00 61.00 63.42 2wxr s PRO 758 Cb -0.09 -2.82 -0.07 0.00 0.02 0.00 0.00 34.50 31.54 2wxr s PRO 758 CO 0.82 -0.55 0.71 -0.51 -0.33 0.00 0.00 177.00 177.13 2wxr s LEU 759 N -2.35 4.57 -0.27 -5.54 1.02 0.42 -1.33 118.68 115.20 2wxr s LEU 759 Ca 0.56 1.52 -0.01 0.00 0.02 0.00 0.00 54.13 56.21 2wxr s LEU 759 Cb -0.42 -3.16 0.04 0.00 0.02 0.00 0.00 46.19 42.67 2wxr s LEU 759 CO 0.55 0.22 -0.04 0.86 0.02 0.00 0.00 176.35 177.97 2wxr s TRP 760 N -1.09 3.17 -0.22 0.29 -0.11 0.00 -0.05 118.94 120.93 2wxr s TRP 760 Ca 0.34 -1.74 0.01 0.00 1.22 0.00 0.00 56.10 55.93 2wxr s TRP 760 Cb -0.22 -2.07 0.03 0.00 -1.50 0.00 0.00 33.47 29.71 2wxr s TRP 760 CO 0.24 -0.77 -0.14 0.42 -4.62 0.00 0.00 176.95 172.08 2wxr s ILE 761 N 1.28 2.31 0.24 5.86 -1.09 0.03 -1.14 121.20 128.69 2wxr s ILE 761 Ca -0.03 -1.16 -0.02 0.00 -2.23 0.00 0.00 60.65 57.21 2wxr s ILE 761 Cb -0.18 -2.14 -0.05 0.00 -1.58 0.00 0.00 42.46 38.52 2wxr s ILE 761 CO -0.03 0.29 0.46 -0.04 -1.23 0.00 0.00 174.94 174.39 2wxr s MET 762 N 1.25 3.56 0.04 2.79 -1.94 -1.26 -1.08 119.30 122.66 2wxr s MET 762 Ca -0.00 -0.20 -0.01 0.00 -1.71 0.00 0.00 55.69 53.76 2wxr s MET 762 Cb -0.16 -2.76 -0.03 0.00 2.01 0.00 0.00 34.83 33.89 2wxr s MET 762 CO -0.08 0.32 -0.01 0.71 -0.01 0.00 0.00 175.02 175.95 2wxr s TYR 763 N -1.96 0.40 0.21 -0.03 2.02 -0.28 -1.61 117.35 116.10 2wxr s TYR 763 Ca 0.41 -0.85 -0.08 0.00 -0.37 0.00 0.00 57.07 56.18 2wxr s TYR 763 Cb -0.11 -0.30 -0.02 0.00 -0.40 0.00 0.00 41.96 41.14 2wxr s TYR 763 CO 0.29 -0.33 0.32 -1.54 -1.57 0.00 0.00 175.55 172.72 2wxr s SER 764 N -2.45 0.02 -0.12 2.29 1.04 0.41 -3.04 113.70 111.85 2wxr s SER 764 Ca -0.00 -1.05 -0.06 0.00 0.48 0.00 0.00 55.95 55.31 2wxr s SER 764 Cb 0.02 0.48 0.05 0.00 0.10 0.00 0.00 66.02 66.67 2wxr s SER 764 CO -0.07 -0.98 0.28 -0.55 0.98 0.00 0.00 173.24 172.90 2wxr s SER 765 N -3.05 -0.22 0.18 7.02 0.15 -1.24 -1.71 113.70 114.82 2wxr s SER 765 Ca 0.26 0.61 -0.01 0.00 0.70 0.00 0.00 55.95 57.51 2wxr s SER 765 Cb 0.03 0.53 0.05 0.00 -1.71 0.00 0.00 66.02 64.92 2wxr s SER 765 CO 0.07 -0.18 1.43 -0.33 1.20 0.00 0.00 173.24 175.43 2wxr h GLU 766 N 7.37 0.37 -0.00 5.44 5.08 -1.95 -2.96 114.58 127.92 2wxr h GLU 766 Ca -0.36 -0.32 -0.21 0.00 -1.00 0.00 0.00 59.36 57.47 2wxr h GLU 766 Cb 1.15 0.07 -0.00 0.00 0.50 0.00 0.00 28.75 30.47 2wxr h GLU 766 CO 0.32 0.96 -0.91 1.49 -1.00 0.00 0.00 179.01 179.88 2wxr h GLU 767 N 0.25 0.34 0.00 2.33 4.57 -1.96 -3.23 114.58 116.88 2wxr h GLU 767 Ca -0.03 -0.37 0.00 0.00 -1.18 0.00 0.00 59.36 57.78 2wxr h GLU 767 Cb 1.33 0.10 0.00 0.00 -0.16 0.00 0.00 28.75 30.03 2wxr h GLU 767 CO 0.13 1.05 -0.56 0.00 -1.18 0.00 0.00 179.01 178.45 2wxr h ALA 768 N 0.82 0.64 -0.52 2.92 0.00 -1.74 -3.27 119.26 118.11 2wxr h ALA 768 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wxr h ALA 768 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.33 2wxr h ALA 768 CO 0.15 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.81 2wxr n GLY 769 N 1.31 1.59 0.25 0.00 0.00 -1.12 -3.59 105.19 103.64 2wxr n GLY 769 Ca 0.03 -0.66 0.10 0.00 0.00 0.00 0.00 46.02 45.49 2wxr n GLY 769 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2wxr h SER 770 N 9.42 0.00 0.01 1.61 0.02 -1.94 -0.06 113.55 122.61 2wxr h SER 770 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2wxr h SER 770 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2wxr h SER 770 CO 0.00 0.11 -0.02 0.00 -1.14 0.00 0.00 176.83 175.78 2wxr n ALA 771 N -2.40 2.62 1.10 3.77 0.00 -1.24 -2.19 120.51 122.17 2wxr n ALA 771 Ca -0.02 -0.43 0.13 0.00 0.00 0.00 0.00 53.44 53.12 2wxr n ALA 771 Cb 0.20 -1.19 0.48 0.00 0.00 0.00 0.00 19.45 18.94 2wxr n ALA 771 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wxr n GLY 772 N 1.18 -1.26 3.43 0.00 0.00 -0.04 -4.71 105.19 103.79 2wxr n GLY 772 Ca 0.19 -0.24 -0.44 0.00 0.00 0.00 0.00 46.02 45.53 2wxr n GLY 772 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxr s ASN 773 N -2.87 6.57 0.17 1.61 0.01 -0.93 -3.68 114.94 115.82 2wxr s ASN 773 Ca 0.17 -1.97 0.03 0.00 -0.71 0.00 0.00 52.86 50.38 2wxr s ASN 773 Cb 0.19 -2.37 -0.05 0.00 0.41 0.00 0.00 41.25 39.43 2wxr s ASN 773 CO 0.58 -1.05 -0.04 0.68 -1.51 0.00 0.00 177.10 175.76 2wxr s VAL 774 N 2.55 0.89 0.07 1.60 -7.23 -1.17 -4.97 120.40 112.15 2wxr s VAL 774 Ca 0.29 -2.01 0.02 0.00 -1.81 0.00 0.00 61.98 58.47 2wxr s VAL 774 Cb -0.08 -2.02 -0.03 0.00 0.56 0.00 0.00 36.38 34.81 2wxr s VAL 774 CO -0.06 -0.58 -0.08 -0.83 -0.31 0.00 0.00 175.10 173.23 2wxr s GLY 775 N -3.18 0.64 0.15 2.32 0.00 -1.26 -1.13 107.32 104.86 2wxr s GLY 775 Ca 0.21 -1.00 0.06 0.00 0.00 0.00 0.00 44.72 43.98 2wxr s GLY 775 CO 0.03 -1.07 -0.13 -0.26 0.00 0.00 0.00 173.10 171.66 2wxr s ILE 776 N -2.20 1.36 -0.11 0.90 -4.36 -0.24 -2.03 121.20 114.53 2wxr s ILE 776 Ca -0.01 -1.93 0.02 0.00 -0.26 0.00 0.00 60.65 58.47 2wxr s ILE 776 Cb -0.04 -1.74 -0.01 0.00 1.25 0.00 0.00 42.46 41.92 2wxr s ILE 776 CO -0.01 -0.56 -0.18 -0.63 0.24 0.00 0.00 174.94 173.80 2wxr s ILE 777 N -2.69 2.66 -0.23 8.37 1.01 0.58 -0.79 121.20 130.10 2wxr s ILE 777 Ca 0.14 -0.81 -0.08 0.00 0.00 0.00 0.00 60.65 59.90 2wxr s ILE 777 Cb -0.02 -2.07 -0.04 0.00 0.01 0.00 0.00 42.46 40.34 2wxr s ILE 777 CO 0.03 0.54 0.09 0.12 0.00 0.00 0.00 174.94 175.73 2wxr s PHE 778 N 0.21 3.18 -0.12 3.97 5.36 0.92 -1.59 117.98 129.90 2wxr s PHE 778 Ca -0.11 -0.11 0.02 0.00 -0.96 0.00 0.00 56.93 55.77 2wxr s PHE 778 Cb -0.16 -2.20 0.01 0.00 -0.34 0.00 0.00 43.02 40.33 2wxr s PHE 778 CO 0.06 -0.11 -0.18 0.21 -1.46 0.00 0.00 175.22 173.73 2wxr s LYS 779 N 1.15 2.56 -0.04 10.12 2.20 -0.65 -0.44 119.74 134.65 2wxr s LYS 779 Ca 0.05 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.98 2wxr s LYS 779 Cb -0.14 -2.11 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2wxr s LYS 779 CO 0.04 -0.03 -0.04 1.21 -0.36 0.00 0.00 175.35 176.17 2wxr s ASN 780 N 0.87 0.87 0.00 1.43 2.47 -1.26 -1.90 114.94 117.42 2wxr s ASN 780 Ca -0.08 -0.12 0.00 0.00 0.42 0.00 0.00 52.86 53.08 2wxr s ASN 780 Cb -0.15 -0.41 0.00 0.00 -1.45 0.00 0.00 41.25 39.24 2wxr s ASN 780 CO -0.01 -0.04 0.00 0.61 -3.72 0.00 0.00 177.10 173.94 2wxr n GLY 781 N 3.94 1.20 3.44 1.21 0.00 -0.36 -4.84 105.19 109.78 2wxr n GLY 781 Ca -0.25 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 2wxr n GLY 781 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2wxr s ASP 782 N -0.83 2.98 -0.21 1.61 1.01 -1.20 -5.01 116.67 115.02 2wxr s ASP 782 Ca 0.00 -1.16 -0.19 0.00 0.71 0.00 0.00 52.55 51.92 2wxr s ASP 782 Cb 0.00 -0.21 -0.03 0.00 1.01 0.00 0.00 42.92 43.69 2wxr s ASP 782 CO 0.00 -0.26 0.54 -0.62 0.21 0.00 0.00 175.17 175.04 2wxr s ASP 783 N -3.46 6.56 -0.00 0.27 2.15 -1.26 -3.79 116.67 117.12 2wxr s ASP 783 Ca 0.29 0.67 0.21 0.00 0.43 0.00 0.00 52.55 54.15 2wxr s ASP 783 Cb 0.02 -2.30 -0.23 0.00 -0.30 0.00 0.00 42.92 40.11 2wxr s ASP 783 CO 0.12 -0.22 0.82 0.18 -0.17 0.00 0.00 175.17 175.90 2wxr n LEU 784 N 5.01 0.73 -0.21 -1.34 4.77 -1.26 -4.55 117.00 120.16 2wxr n LEU 784 Ca -0.04 -0.34 -0.06 0.00 -0.03 0.00 0.00 56.01 55.54 2wxr n LEU 784 Cb 0.50 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 2wxr n LEU 784 CO 0.42 0.18 0.62 0.03 -1.33 0.00 0.00 177.39 177.30 2wxr h ARG 785 N 0.00 -0.16 -0.04 3.23 3.08 -1.97 0.13 114.38 118.64 2wxr h ARG 785 Ca 0.00 0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.10 2wxr h ARG 785 Cb 0.63 0.04 -0.05 0.00 0.08 0.00 0.00 29.97 30.67 2wxr h ARG 785 CO 0.00 -0.11 -0.24 0.37 -1.07 0.00 0.00 179.97 178.92 2wxr h GLN 786 N -0.17 -0.34 -0.66 0.04 5.75 -1.91 0.40 115.11 118.21 2wxr h GLN 786 Ca 0.23 0.02 0.02 0.00 -0.15 0.00 0.00 58.65 58.77 2wxr h GLN 786 Cb 0.55 0.08 -0.04 0.00 1.07 0.00 0.00 27.48 29.15 2wxr h GLN 786 CO -0.69 -0.23 0.43 -0.44 -2.65 0.00 0.00 178.83 175.25 2wxr h ASP 787 N -0.35 0.72 -0.80 -0.69 5.19 -1.56 -1.22 116.42 117.72 2wxr h ASP 787 Ca 0.07 -0.01 0.01 0.00 -0.62 0.00 0.00 57.03 56.48 2wxr h ASP 787 Cb 0.46 -0.17 -0.04 0.00 0.18 0.00 0.00 39.33 39.76 2wxr h ASP 787 CO -0.25 0.51 0.53 -0.03 -3.12 0.00 0.00 179.24 176.89 2wxr h MET 788 N 0.86 1.05 -0.10 3.56 4.05 0.09 0.89 114.93 125.33 2wxr h MET 788 Ca 0.25 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.58 2wxr h MET 788 Cb -0.05 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.51 2wxr h MET 788 CO -0.08 0.70 -0.04 1.25 0.23 0.00 0.00 176.91 178.97 2wxr h LEU 789 N 1.09 0.21 -0.30 3.39 5.85 -0.62 -0.40 115.31 124.53 2wxr h LEU 789 Ca 0.29 -0.39 0.06 0.00 0.84 0.00 0.00 57.88 58.68 2wxr h LEU 789 Cb -0.12 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 40.78 2wxr h LEU 789 CO -0.06 0.56 -0.12 0.74 -0.34 0.00 0.00 178.44 179.21 2wxr h THR 790 N -0.14 0.60 -0.33 1.05 2.02 -1.01 -0.02 112.91 115.08 2wxr h THR 790 Ca 0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.18 2wxr h THR 790 Cb 0.47 0.60 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2wxr h THR 790 CO 0.01 0.00 0.12 -0.07 0.37 0.00 0.00 175.52 175.95 2wxr h LEU 791 N -0.07 0.42 -0.59 2.58 3.38 -0.70 -1.55 115.31 118.77 2wxr h LEU 791 Ca 0.15 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.93 2wxr h LEU 791 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.94 2wxr h LEU 791 CO -0.35 0.40 -0.53 1.56 0.09 0.00 0.00 178.44 179.60 2wxr h GLN 792 N 0.46 0.47 0.00 1.13 4.20 -0.24 -2.28 115.11 118.85 2wxr h GLN 792 Ca 0.11 -0.29 -0.07 0.00 0.06 0.00 0.00 58.65 58.47 2wxr h GLN 792 Cb 0.12 0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.92 2wxr h GLN 792 CO -0.01 0.89 -0.33 0.52 -0.67 0.00 0.00 178.83 179.23 2wxr h MET 793 N 0.36 0.00 -0.01 1.46 2.86 -0.49 -1.28 114.93 117.84 2wxr h MET 793 Ca 0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 2wxr h MET 793 Cb 1.06 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.72 2wxr h MET 793 CO 0.10 0.33 -0.05 0.82 1.06 0.00 0.00 176.91 179.16 2wxr h ILE 794 N 0.00 1.56 -0.89 -1.22 2.04 -1.24 -2.56 117.51 115.20 2wxr h ILE 794 Ca -0.00 -1.72 0.09 0.00 1.00 0.00 0.00 64.86 64.23 2wxr h ILE 794 Cb 0.85 2.70 -0.07 0.00 -0.74 0.00 0.00 36.82 39.56 2wxr h ILE 794 CO 0.04 0.45 0.53 -0.61 0.00 0.00 0.00 178.15 178.57 2wxr h GLN 795 N -0.65 0.87 -0.79 2.37 5.75 -1.16 0.18 115.11 121.69 2wxr h GLN 795 Ca -0.01 -0.05 -0.01 0.00 -0.15 0.00 0.00 58.65 58.43 2wxr h GLN 795 Cb 0.77 -0.20 -0.04 0.00 1.07 0.00 0.00 27.48 29.09 2wxr h GLN 795 CO 0.01 0.58 0.44 1.25 -2.65 0.00 0.00 178.83 178.46 2wxr h LEU 796 N 0.90 0.96 -0.08 -2.39 5.85 -1.32 -0.02 115.31 119.22 2wxr h LEU 796 Ca 0.42 -0.07 -0.00 0.00 0.84 0.00 0.00 57.88 59.07 2wxr h LEU 796 Cb 0.35 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.13 2wxr h LEU 796 CO -0.23 0.76 0.04 0.24 -0.34 0.00 0.00 178.44 178.91 2wxr h MET 797 N 1.09 0.12 -0.69 1.25 2.86 -0.31 -0.29 114.93 118.97 2wxr h MET 797 Ca 0.28 -0.02 0.09 0.00 -2.06 0.00 0.00 59.70 57.99 2wxr h MET 797 Cb 0.00 -0.02 -0.07 0.00 0.06 0.00 0.00 31.60 31.57 2wxr h MET 797 CO -0.05 0.23 0.34 0.22 1.06 0.00 0.00 176.91 178.71 2wxr h ASP 798 N -0.01 0.45 -0.08 1.22 3.58 -0.69 0.28 116.42 121.17 2wxr h ASP 798 Ca 0.03 0.06 -0.00 0.00 0.42 0.00 0.00 57.03 57.53 2wxr h ASP 798 Cb 0.15 -0.02 -0.00 0.00 1.72 0.00 0.00 39.33 41.18 2wxr h ASP 798 CO -0.00 0.27 0.04 0.58 -2.88 0.00 0.00 179.24 177.24 2wxr h VAL 799 N 0.59 1.12 -0.53 2.25 2.07 -0.66 0.37 116.25 121.46 2wxr h VAL 799 Ca 0.33 -0.34 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 2wxr h VAL 799 Cb 0.33 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.28 2wxr h VAL 799 CO -0.25 0.10 0.13 -0.07 0.02 0.00 0.00 177.57 177.49 2wxr h LEU 800 N 0.00 0.80 -0.55 2.57 3.38 -0.58 0.61 115.31 121.55 2wxr h LEU 800 Ca 0.03 -0.23 0.04 0.00 0.09 0.00 0.00 57.88 57.80 2wxr h LEU 800 Cb 0.13 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 40.62 2wxr h LEU 800 CO -0.00 0.83 0.31 -0.50 0.09 0.00 0.00 178.44 179.16 2wxr h TRP 801 N 0.74 0.57 -0.24 1.13 6.55 -0.23 -2.32 115.95 122.14 2wxr h TRP 801 Ca 0.17 0.02 -0.10 0.00 0.95 0.00 0.00 58.89 59.93 2wxr h TRP 801 Cb 0.34 -0.17 -0.01 0.00 -0.86 0.00 0.00 29.16 28.45 2wxr h TRP 801 CO 0.02 0.30 -0.28 0.87 -1.05 0.00 0.00 178.44 178.30 2wxr h LYS 802 N 0.59 0.48 -0.00 0.49 1.57 0.28 0.66 116.57 120.63 2wxr h LYS 802 Ca 0.23 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 2wxr h LYS 802 Cb 0.09 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.38 2wxr h LYS 802 CO -0.13 0.71 0.01 1.96 -0.57 0.00 0.00 179.45 181.42 2wxr h GLN 803 N 0.42 0.00 -0.65 3.15 4.20 -0.32 -0.18 115.11 121.72 2wxr h GLN 803 Ca 0.06 0.00 -0.29 0.00 0.06 0.00 0.00 58.65 58.48 2wxr h GLN 803 Cb 0.70 0.00 -0.17 0.00 0.30 0.00 0.00 27.48 28.31 2wxr h GLN 803 CO 0.05 0.00 0.26 0.39 -0.67 0.00 0.00 178.83 178.87 2wxr n GLU 804 N -3.27 2.49 -1.46 1.46 1.02 -0.71 -4.93 120.64 115.24 2wxr n GLU 804 Ca -0.03 -3.08 -0.16 0.00 -0.02 0.00 0.00 57.16 53.88 2wxr n GLU 804 Cb 0.08 -2.03 -0.07 0.00 -0.02 0.00 0.00 31.44 29.40 2wxr n GLU 804 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wxr n GLY 805 N -0.87 1.55 3.33 0.62 0.00 -0.08 -5.01 105.19 104.73 2wxr n GLY 805 Ca 0.43 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.94 2wxr n GLY 805 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wxr s LEU 806 N -3.59 4.93 -0.58 0.99 2.96 0.14 -4.97 118.68 118.56 2wxr s LEU 806 Ca 0.00 -1.23 -0.16 0.00 -0.22 0.00 0.00 54.13 52.53 2wxr s LEU 806 Cb 0.00 -2.01 0.14 0.00 0.50 0.00 0.00 46.19 44.82 2wxr s LEU 806 CO 0.00 -0.46 0.53 -0.62 -1.32 0.00 0.00 176.35 174.48 2wxr s ASP 807 N 1.84 6.26 -0.04 3.68 -1.08 -1.26 -2.60 116.67 123.46 2wxr s ASP 807 Ca 0.02 -1.91 0.06 0.00 -0.52 0.00 0.00 52.55 50.20 2wxr s ASP 807 Cb -0.21 -2.21 0.26 0.00 -1.46 0.00 0.00 42.92 39.30 2wxr s ASP 807 CO 0.05 -0.82 1.05 0.18 0.52 0.00 0.00 175.17 176.15 2wxr n LEU 808 N 5.07 2.04 -3.42 -1.34 4.77 -1.26 -4.88 117.00 117.97 2wxr n LEU 808 Ca -0.10 -1.03 -0.18 0.00 -0.03 0.00 0.00 56.01 54.67 2wxr n LEU 808 Cb 0.41 -0.38 0.09 0.00 -2.33 0.00 0.00 43.42 41.21 2wxr n LEU 808 CO 0.51 0.36 0.13 0.54 -1.33 0.00 0.00 177.39 177.61 2wxr n ARG 809 N 0.23 -6.78 -1.10 3.23 5.12 -1.26 -1.68 116.66 114.41 2wxr n ARG 809 Ca 0.09 0.83 -0.29 0.00 -1.93 0.00 0.00 57.85 56.55 2wxr n ARG 809 Cb 0.41 -5.82 0.16 0.00 -1.16 0.00 0.00 32.46 26.04 2wxr n ARG 809 CO 0.00 0.00 0.00 -1.64 -1.93 0.00 0.00 177.63 174.06 2wxr s MET 810 N -5.52 0.86 -0.57 5.56 -1.94 -1.26 -4.56 119.30 111.88 2wxr s MET 810 Ca 0.11 0.81 0.06 0.00 -1.71 0.00 0.00 55.69 54.95 2wxr s MET 810 Cb -0.05 -1.76 0.20 0.00 2.01 0.00 0.00 34.83 35.23 2wxr s MET 810 CO 0.72 -2.51 0.53 2.41 -0.01 0.00 0.00 175.02 176.16 2wxr n THR 811 N -4.07 0.74 -2.01 2.05 -1.04 -1.26 -5.04 114.28 103.66 2wxr n THR 811 Ca 0.06 -4.47 -0.37 0.00 -2.04 0.00 0.00 64.05 57.24 2wxr n THR 811 Cb 0.55 -2.00 -0.03 0.00 -1.82 0.00 0.00 70.33 67.03 2wxr n THR 811 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2wxr n PRO 812 N 1.80 2.23 -2.03 -2.82 -0.04 -1.26 -4.95 135.00 127.92 2wxr n PRO 812 Ca 0.25 -2.62 -0.29 0.00 -0.04 0.00 0.00 63.50 60.80 2wxr n PRO 812 Cb 0.43 -3.45 0.04 0.00 -0.04 0.00 0.00 33.50 30.47 2wxr n PRO 812 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 2wxr s TYR 813 N 6.85 3.36 0.29 0.54 -0.85 -1.26 -5.02 117.35 121.26 2wxr s TYR 813 Ca 0.59 0.98 -0.29 0.00 -0.52 0.00 0.00 57.07 57.83 2wxr s TYR 813 Cb 0.05 -2.91 -0.10 0.00 0.38 0.00 0.00 41.96 39.39 2wxr s TYR 813 CO 0.09 -0.99 1.21 0.20 -1.52 0.00 0.00 175.55 174.54 2wxr s GLY 814 N -4.31 2.96 -0.14 5.49 0.00 -1.26 -4.87 107.32 105.20 2wxr s GLY 814 Ca 0.56 1.08 -0.04 0.00 0.00 0.00 0.00 44.72 46.32 2wxr s GLY 814 CO 0.50 1.75 0.22 0.00 0.00 0.00 0.00 173.10 175.57 2wxr s LEU 816 N 2.35 0.44 0.25 0.00 2.96 0.54 -4.81 118.68 120.42 2wxr s LEU 816 Ca 0.04 -0.35 -0.30 0.00 -0.22 0.00 0.00 54.13 53.30 2wxr s LEU 816 Cb -0.13 -0.29 -0.09 0.00 0.50 0.00 0.00 46.19 46.17 2wxr s LEU 816 CO -0.09 -0.29 1.25 -2.84 -1.32 0.00 0.00 176.35 173.07 2wxr s PRO 817 N 2.08 4.44 0.00 0.98 0.02 -1.26 -0.36 135.00 140.91 2wxr s PRO 817 Ca 0.03 2.03 0.00 0.00 0.02 0.00 0.00 61.00 63.08 2wxr s PRO 817 Cb -0.14 -3.16 0.00 0.00 0.02 0.00 0.00 34.50 31.21 2wxr s PRO 817 CO -0.06 -0.12 0.00 0.25 -0.33 0.00 0.00 177.00 176.74 2wxr n THR 818 N 1.77 0.00 -2.96 0.99 -2.24 0.59 -4.70 114.28 107.74 2wxr n THR 818 Ca 0.03 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 2wxr n THR 818 Cb 0.43 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 2wxr n THR 818 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2wxr n GLY 819 N 1.81 1.07 3.58 3.38 0.00 -0.88 -4.00 105.19 110.15 2wxr n GLY 819 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2wxr n GLY 819 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2wxr s ASP 820 N 1.58 5.09 -1.44 1.61 -1.08 -1.26 -2.27 116.67 118.90 2wxr s ASP 820 Ca 0.00 1.36 -0.08 0.00 -0.52 0.00 0.00 52.55 53.30 2wxr s ASP 820 Cb 0.00 -2.51 0.04 0.00 -1.46 0.00 0.00 42.92 38.99 2wxr s ASP 820 CO 0.00 -2.33 0.69 0.54 0.52 0.00 0.00 175.17 174.59 2wxr n ARG 821 N 8.86 -4.78 -3.89 4.34 1.74 -1.26 -4.76 116.66 116.91 2wxr n ARG 821 Ca 0.31 0.70 -0.11 0.00 -0.77 0.00 0.00 57.85 57.97 2wxr n ARG 821 Cb 0.50 -5.53 -0.13 0.00 -1.02 0.00 0.00 32.46 26.28 2wxr n ARG 821 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2wxr s THR 822 N -3.13 0.03 -1.06 0.55 2.01 -0.96 -1.22 115.64 111.86 2wxr s THR 822 Ca 0.43 -0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.21 2wxr s THR 822 Cb -0.21 -0.09 0.00 0.00 0.01 0.00 0.00 72.50 72.21 2wxr s THR 822 CO 0.53 -0.12 0.00 0.61 -0.69 0.00 0.00 174.62 174.95 2wxr n GLY 823 N 2.71 -0.82 3.21 4.40 0.00 -0.80 -0.30 105.19 113.59 2wxr n GLY 823 Ca -0.15 -0.77 -0.21 0.00 0.00 0.00 0.00 46.02 44.88 2wxr n GLY 823 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxr s LEU 824 N 0.00 2.24 -0.00 0.99 1.43 0.52 -1.64 118.68 122.22 2wxr s LEU 824 Ca 0.00 -0.59 0.08 0.00 -1.03 0.00 0.00 54.13 52.59 2wxr s LEU 824 Cb 0.00 -0.71 -0.02 0.00 0.03 0.00 0.00 46.19 45.48 2wxr s LEU 824 CO 0.00 0.02 -0.24 -0.63 0.23 0.00 0.00 176.35 175.73 2wxr s ILE 825 N -1.07 1.93 0.25 -0.59 1.01 -0.62 -0.34 121.20 121.77 2wxr s ILE 825 Ca 0.03 -1.11 -0.26 0.00 0.00 0.00 0.00 60.65 59.31 2wxr s ILE 825 Cb -0.09 -1.61 -0.09 0.00 0.01 0.00 0.00 42.46 40.67 2wxr s ILE 825 CO 0.03 0.48 0.88 -0.70 0.00 0.00 0.00 174.94 175.63 2wxr s GLU 826 N -0.73 4.62 -0.00 2.79 2.12 1.00 -0.31 118.70 128.18 2wxr s GLU 826 Ca 0.10 1.28 -0.27 0.00 0.36 0.00 0.00 54.97 56.44 2wxr s GLU 826 Cb -0.09 -3.05 -0.04 0.00 0.26 0.00 0.00 34.13 31.21 2wxr s GLU 826 CO -0.00 0.43 0.84 0.08 -0.54 0.00 0.00 175.26 176.06 2wxr s VAL 827 N -1.38 4.87 -0.41 3.70 1.01 -0.86 -4.77 120.40 122.57 2wxr s VAL 827 Ca 0.44 1.76 -0.14 0.00 0.00 0.00 0.00 61.98 64.04 2wxr s VAL 827 Cb -0.21 -4.18 0.02 0.00 0.00 0.00 0.00 36.38 32.01 2wxr s VAL 827 CO 0.26 0.24 0.28 -0.69 0.00 0.00 0.00 175.10 175.20 2wxr s VAL 828 N 0.64 5.10 0.77 2.92 1.01 -1.26 -4.60 120.40 124.98 2wxr s VAL 828 Ca 0.44 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.58 2wxr s VAL 828 Cb -0.20 -3.85 0.06 0.00 0.00 0.00 0.00 36.38 32.38 2wxr s VAL 828 CO 0.24 -0.31 1.10 -0.76 0.00 0.00 0.00 175.10 175.37 2wxr s LEU 829 N 1.65 3.06 -1.54 3.92 1.43 -1.26 -3.66 118.68 122.27 2wxr s LEU 829 Ca 0.04 1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 54.96 2wxr s LEU 829 Cb -0.19 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.51 2wxr s LEU 829 CO 0.09 -2.06 0.57 1.41 0.23 0.00 0.00 176.35 176.58 2wxr n HIS 830 N -3.44 -1.91 -4.38 0.29 8.25 -1.26 -4.85 115.22 107.92 2wxr n HIS 830 Ca 0.09 0.49 -0.24 0.00 -0.26 0.00 0.00 57.72 57.80 2wxr n HIS 830 Cb 0.53 -4.33 -0.09 0.00 1.12 0.00 0.00 29.99 27.22 2wxr n HIS 830 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2wxr s SER 831 N -2.67 4.07 0.26 0.41 1.04 -1.24 -1.80 113.70 113.77 2wxr s SER 831 Ca 0.30 -0.94 -0.05 0.00 0.48 0.00 0.00 55.95 55.74 2wxr s SER 831 Cb -0.13 -0.53 -0.02 0.00 0.10 0.00 0.00 66.02 65.44 2wxr s SER 831 CO 0.37 -0.11 0.35 -0.62 0.98 0.00 0.00 173.24 174.21 2wxr s ASP 832 N -3.64 0.39 0.04 7.02 -1.08 -0.58 -5.00 116.67 113.83 2wxr s ASP 832 Ca 0.33 -1.29 -0.13 0.00 -0.52 0.00 0.00 52.55 50.94 2wxr s ASP 832 Cb -0.03 0.54 -0.06 0.00 -1.46 0.00 0.00 42.92 41.92 2wxr s ASP 832 CO 0.18 -1.08 0.42 0.42 0.52 0.00 0.00 175.17 175.63 2wxr s THR 833 N -3.76 5.03 0.20 1.71 -4.23 -1.26 -0.99 115.64 112.33 2wxr s THR 833 Ca 0.31 0.71 -0.14 0.00 -1.18 0.00 0.00 61.69 61.39 2wxr s THR 833 Cb 0.02 -3.69 0.22 0.00 1.34 0.00 0.00 72.50 70.39 2wxr s THR 833 CO 0.14 0.44 1.30 -0.38 -0.54 0.00 0.00 174.62 175.58 2wxr n ILE 834 N 1.39 -0.43 -0.17 2.99 2.08 -0.77 -0.94 119.36 123.50 2wxr n ILE 834 Ca -0.11 1.95 -0.05 0.00 0.56 0.00 0.00 62.75 65.10 2wxr n ILE 834 Cb 0.52 -2.59 0.04 0.00 -0.75 0.00 0.00 39.64 36.86 2wxr n ILE 834 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2wxr h ALA 835 N 1.20 0.66 0.08 -1.39 0.00 -0.70 0.40 119.26 119.50 2wxr h ALA 835 Ca 0.30 0.00 0.02 0.00 0.00 0.00 0.00 54.91 55.23 2wxr h ALA 835 Cb 0.51 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 2wxr h ALA 835 CO -0.83 -0.02 -0.40 -0.91 0.00 0.00 0.00 179.25 177.08 2wxr h ASN 836 N 0.57 -1.20 -0.89 0.00 4.21 -1.33 -2.33 115.58 114.62 2wxr h ASN 836 Ca 0.21 0.14 0.12 0.00 1.21 0.00 0.00 56.30 57.98 2wxr h ASN 836 Cb 0.06 0.46 -0.08 0.00 -1.12 0.00 0.00 38.32 37.64 2wxr h ASN 836 CO -0.12 -0.47 0.51 0.40 -1.29 0.00 0.00 177.43 176.47 2wxr h ILE 837 N -0.61 0.86 0.00 2.81 5.03 -0.08 -0.70 117.51 124.82 2wxr h ILE 837 Ca 0.03 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.50 2wxr h ILE 837 Cb 0.66 -0.02 0.00 0.00 -3.03 0.00 0.00 36.82 34.43 2wxr h ILE 837 CO -0.26 0.15 0.00 0.00 -0.68 0.00 0.00 178.15 177.35 2wxr n GLN 838 N -4.74 0.82 0.24 2.37 6.02 0.13 -3.42 117.38 118.80 2wxr n GLN 838 Ca 0.16 0.00 0.17 0.00 -0.01 0.00 0.00 57.00 57.32 2wxr n GLN 838 Cb 0.35 -1.21 0.80 0.00 1.02 0.00 0.00 30.24 31.20 2wxr n GLN 838 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2wxr h LEU 839 N 0.00 0.00 -1.76 1.08 3.38 -0.78 -3.47 115.31 113.76 2wxr h LEU 839 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 2wxr h LEU 839 Cb 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2wxr h LEU 839 CO 0.00 0.00 -0.86 -3.20 0.09 0.00 0.00 178.44 174.47 2wxr n ASN 840 N -2.73 -0.98 -4.78 -0.43 2.85 -1.22 -4.95 115.26 103.02 2wxr n ASN 840 Ca -0.01 -0.96 -0.37 0.00 -0.11 0.00 0.00 54.58 53.13 2wxr n ASN 840 Cb 0.15 -3.27 -0.03 0.00 1.24 0.00 0.00 39.78 37.88 2wxr n ASN 840 CO 0.00 0.00 0.00 -0.54 -2.11 0.00 0.00 177.26 174.61 2wxr s LYS 841 N -6.48 4.00 0.06 1.20 1.02 -1.26 -4.92 119.74 113.36 2wxr s LYS 841 Ca 0.10 1.66 -0.01 0.00 0.02 0.00 0.00 55.97 57.74 2wxr s LYS 841 Cb -0.06 -2.52 0.01 0.00 -0.52 0.00 0.00 37.83 34.75 2wxr s LYS 841 CO 0.87 -0.32 0.09 -1.13 -0.92 0.00 0.00 175.35 173.95 2wxr n SER 842 N -0.19 0.01 -3.48 2.83 3.41 -1.26 -4.52 113.62 110.42 2wxr n SER 842 Ca 0.06 -1.04 -0.25 0.00 -0.26 0.00 0.00 58.87 57.38 2wxr n SER 842 Cb 0.49 -0.07 -0.00 0.00 -0.26 0.00 0.00 64.21 64.37 2wxr n SER 842 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2wxr n ASN 843 N -3.05 -3.90 -2.85 4.04 2.85 -1.26 -4.87 115.26 106.22 2wxr n ASN 843 Ca 0.01 -0.48 -0.10 0.00 -0.11 0.00 0.00 54.58 53.90 2wxr n ASN 843 Cb 0.04 -3.20 0.02 0.00 1.24 0.00 0.00 39.78 37.87 2wxr n ASN 843 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 2wxr n MET 844 N -3.89 1.05 0.10 1.20 2.81 -1.26 -5.10 117.12 112.04 2wxr n MET 844 Ca -0.01 -2.38 -0.13 0.00 -1.81 0.00 0.00 57.70 53.37 2wxr n MET 844 Cb 0.54 2.79 -0.08 0.00 -0.71 0.00 0.00 33.22 35.76 2wxr n MET 844 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 2wxr h ALA 845 N 2.01 -0.21 -0.07 3.04 0.00 -1.90 -3.33 119.26 118.80 2wxr h ALA 845 Ca -0.33 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.48 2wxr h ALA 845 Cb 1.24 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2wxr h ALA 845 CO 0.42 -0.56 0.02 0.00 0.00 0.00 0.00 179.25 179.13 2wxr n ALA 846 N -2.24 2.69 -1.70 0.00 0.00 -1.26 -4.94 120.51 113.06 2wxr n ALA 846 Ca -0.09 -0.22 -0.43 0.00 0.00 0.00 0.00 53.44 52.70 2wxr n ALA 846 Cb 0.15 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.55 2wxr n ALA 846 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 2wxr s THR 847 N -0.93 3.11 0.00 0.00 2.01 -1.25 -4.74 115.64 113.84 2wxr s THR 847 Ca 0.06 0.12 0.00 0.00 0.31 0.00 0.00 61.69 62.18 2wxr s THR 847 Cb 0.04 -3.15 -0.04 0.00 0.01 0.00 0.00 72.50 69.37 2wxr s THR 847 CO 0.01 -0.09 0.06 0.00 -0.69 0.00 0.00 174.62 173.91 2wxr s ALA 848 N 7.79 3.50 0.11 7.40 0.00 -1.26 -5.01 121.76 134.28 2wxr s ALA 848 Ca 0.95 -0.90 0.06 0.00 0.00 0.00 0.00 51.96 52.08 2wxr s ALA 848 Cb -0.31 -1.50 -0.22 0.00 0.00 0.00 0.00 23.12 21.09 2wxr s ALA 848 CO 0.35 0.68 1.23 0.00 0.00 0.00 0.00 175.76 178.02 2wxr h ALA 849 N 4.11 0.36 -3.76 0.00 0.00 -1.97 -3.45 119.26 114.55 2wxr h ALA 849 Ca -0.49 -0.94 -0.33 0.00 0.00 0.00 0.00 54.91 53.15 2wxr h ALA 849 Cb 1.18 -0.11 -0.30 0.00 0.00 0.00 0.00 17.79 18.56 2wxr h ALA 849 CO 0.61 1.25 -0.75 -0.06 0.00 0.00 0.00 179.25 180.30 2wxr s PHE 850 N -2.70 0.44 0.30 0.00 0.08 -1.26 -5.06 117.98 109.79 2wxr s PHE 850 Ca 0.00 -0.08 0.05 0.00 0.12 0.00 0.00 56.93 57.03 2wxr s PHE 850 Cb 0.10 -0.35 0.74 0.00 -0.57 0.00 0.00 43.02 42.94 2wxr s PHE 850 CO 0.82 -0.05 1.75 -0.97 -0.10 0.00 0.00 175.22 176.67 2wxr h ASN 851 N 6.41 0.65 0.00 1.36 -1.24 -1.99 0.23 115.58 121.00 2wxr h ASN 851 Ca -0.32 0.11 0.00 0.00 0.71 0.00 0.00 56.30 56.81 2wxr h ASN 851 Cb 1.18 0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.24 2wxr h ASN 851 CO 0.49 0.18 0.32 0.07 -1.29 0.00 0.00 177.43 177.21 2wxr h LYS 852 N 0.64 0.00 0.00 6.67 2.10 -2.00 -1.63 116.57 122.36 2wxr h LYS 852 Ca 0.57 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 2wxr h LYS 852 Cb 0.97 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.30 2wxr h LYS 852 CO -0.42 0.00 -0.86 -0.44 -2.00 0.00 0.00 179.45 175.73 2wxr h ASP 853 N 0.00 0.00 -0.52 7.07 3.32 -0.97 -3.41 116.42 121.92 2wxr h ASP 853 Ca 0.00 -0.14 0.06 0.00 0.02 0.00 0.00 57.03 56.97 2wxr h ASP 853 Cb 0.64 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.13 2wxr h ASP 853 CO 0.00 0.07 0.22 0.00 -1.72 0.00 0.00 179.24 177.81 2wxr h ALA 854 N 2.28 0.65 -0.81 3.45 0.00 -1.39 -0.72 119.26 122.72 2wxr h ALA 854 Ca 0.00 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2wxr h ALA 854 Cb 0.86 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.59 2wxr h ALA 854 CO 0.00 -0.16 0.51 -0.07 0.00 0.00 0.00 179.25 179.53 2wxr h LEU 855 N 0.43 0.83 -0.11 0.00 3.38 -1.78 -1.08 115.31 116.97 2wxr h LEU 855 Ca 0.24 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 58.06 2wxr h LEU 855 Cb 0.22 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.80 2wxr h LEU 855 CO -0.22 0.56 -0.54 0.25 0.09 0.00 0.00 178.44 178.58 2wxr h LEU 856 N 0.98 0.67 -1.31 1.67 5.85 -1.62 -1.72 115.31 119.83 2wxr h LEU 856 Ca 0.34 -0.64 0.01 0.00 0.84 0.00 0.00 57.88 58.42 2wxr h LEU 856 Cb 0.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.86 2wxr h LEU 856 CO -0.13 1.20 0.46 0.78 -0.34 0.00 0.00 178.44 180.41 2wxr h ASN 857 N 0.18 0.80 0.54 1.25 4.21 -1.04 0.43 115.58 121.96 2wxr h ASN 857 Ca -0.04 -0.02 -0.03 0.00 1.21 0.00 0.00 56.30 57.42 2wxr h ASN 857 Cb 1.19 -0.20 0.01 0.00 -1.12 0.00 0.00 38.32 38.19 2wxr h ASN 857 CO 0.11 0.58 -0.26 -0.25 -1.29 0.00 0.00 177.43 176.32 2wxr h TRP 858 N 0.94 -0.68 -0.76 1.19 7.01 -1.05 0.47 115.95 123.08 2wxr h TRP 858 Ca 0.25 -0.02 0.13 0.00 2.11 0.00 0.00 58.89 61.36 2wxr h TRP 858 Cb -0.10 0.22 -0.09 0.00 -2.10 0.00 0.00 29.16 27.09 2wxr h TRP 858 CO 0.00 -0.36 0.35 -0.07 -2.79 0.00 0.00 178.44 175.56 2wxr h LEU 859 N -0.90 0.39 -0.21 0.65 3.38 -0.66 -0.37 115.31 117.60 2wxr h LEU 859 Ca -0.07 0.09 0.06 0.00 0.09 0.00 0.00 57.88 58.04 2wxr h LEU 859 Cb 0.62 0.03 -0.06 0.00 0.09 0.00 0.00 40.66 41.34 2wxr h LEU 859 CO 0.12 0.18 -0.18 0.11 0.09 0.00 0.00 178.44 178.77 2wxr h LYS 860 N 0.54 -0.18 -0.13 1.13 1.57 0.14 -0.09 116.57 119.54 2wxr h LYS 860 Ca 0.40 0.01 0.04 0.00 -1.87 0.00 0.00 60.65 59.23 2wxr h LYS 860 Cb 0.54 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.88 2wxr h LYS 860 CO -0.35 -0.12 0.10 0.66 -0.57 0.00 0.00 179.45 179.17 2wxr h SER 861 N -0.19 0.00 0.49 0.86 4.64 0.15 -1.76 113.55 117.74 2wxr h SER 861 Ca 0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 2wxr h SER 861 Cb 0.38 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.47 2wxr h SER 861 CO -0.32 0.00 -0.73 0.29 -0.87 0.00 0.00 176.83 175.20 2wxr n LYS 862 N -4.42 0.13 -3.17 4.77 4.76 -0.46 -4.68 118.16 115.09 2wxr n LYS 862 Ca 0.00 0.01 -0.20 0.00 -2.87 0.00 0.00 58.31 55.25 2wxr n LYS 862 Cb 0.22 -1.56 -0.06 0.00 -1.84 0.00 0.00 35.03 31.80 2wxr n LYS 862 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 2wxr n ASN 863 N -1.74 -1.07 -4.85 4.39 3.02 -0.14 -4.99 115.26 109.89 2wxr n ASN 863 Ca 0.04 -2.64 -0.32 0.00 -0.03 0.00 0.00 54.58 51.63 2wxr n ASN 863 Cb 0.38 0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.60 2wxr n ASN 863 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2wxr s PRO 864 N -0.06 3.71 3.38 3.52 0.05 -1.22 -2.58 135.00 141.80 2wxr s PRO 864 Ca 0.33 0.89 0.00 0.00 0.05 0.00 0.00 61.00 62.27 2wxr s PRO 864 Cb 0.09 -2.10 0.00 0.00 0.05 0.00 0.00 34.50 32.54 2wxr s PRO 864 CO -0.16 -0.47 0.00 0.41 0.05 0.00 0.00 177.00 176.83 2wxr n GLY 865 N -2.04 1.86 0.50 0.56 0.00 -1.26 -1.99 105.19 102.82 2wxr n GLY 865 Ca 0.07 -0.43 0.32 0.00 0.00 0.00 0.00 46.02 45.98 2wxr n GLY 865 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2wxr h GLU 866 N 0.00 0.05 -0.04 1.61 5.08 -2.04 -1.71 114.58 117.53 2wxr h GLU 866 Ca 0.00 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.37 2wxr h GLU 866 Cb 0.00 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.24 2wxr h GLU 866 CO 0.00 0.03 0.10 0.00 -1.00 0.00 0.00 179.01 178.14 2wxr h ALA 867 N 1.46 1.33 -0.64 3.43 0.00 -1.64 -2.46 119.26 120.75 2wxr h ALA 867 Ca 0.54 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 55.42 2wxr h ALA 867 Cb 2.06 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 2wxr h ALA 867 CO -0.04 -0.12 0.27 1.25 0.00 0.00 0.00 179.25 180.61 2wxr h LEU 868 N 0.00 0.83 -0.71 0.00 5.85 -1.03 -2.74 115.31 117.51 2wxr h LEU 868 Ca 0.02 -0.10 0.02 0.00 0.84 0.00 0.00 57.88 58.65 2wxr h LEU 868 Cb 0.21 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2wxr h LEU 868 CO -0.00 0.73 0.46 0.44 -0.34 0.00 0.00 178.44 179.73 2wxr h ASP 869 N 0.91 0.79 -0.38 1.25 5.19 -1.67 -2.91 116.42 119.58 2wxr h ASP 869 Ca 0.22 -0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.46 2wxr h ASP 869 Cb 0.14 -0.19 -0.01 0.00 0.18 0.00 0.00 39.33 39.46 2wxr h ASP 869 CO -0.02 0.56 -0.38 -0.09 -3.12 0.00 0.00 179.24 176.19 2wxr h ARG 870 N 0.93 0.94 -0.74 3.56 9.65 -1.70 -2.33 114.38 124.68 2wxr h ARG 870 Ca 0.27 -0.49 0.12 0.00 -1.10 0.00 0.00 59.98 58.78 2wxr h ARG 870 Cb -0.06 0.02 -0.08 0.00 -1.39 0.00 0.00 29.97 28.45 2wxr h ARG 870 CO -0.08 1.15 0.34 0.00 2.80 0.00 0.00 179.97 184.18 2wxr h ALA 871 N 0.77 1.05 -0.41 2.80 0.00 -1.36 0.27 119.26 122.38 2wxr h ALA 871 Ca 0.06 0.08 -0.13 0.00 0.00 0.00 0.00 54.91 54.92 2wxr h ALA 871 Cb 0.98 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 2wxr h ALA 871 CO 0.09 -0.13 -0.28 0.82 0.00 0.00 0.00 179.25 179.76 2wxr h ILE 872 N 0.53 1.27 -0.11 0.00 2.04 -1.32 0.19 117.51 120.12 2wxr h ILE 872 Ca 0.39 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 64.81 2wxr h ILE 872 Cb 0.52 1.25 -0.00 0.00 -0.74 0.00 0.00 36.82 37.84 2wxr h ILE 872 CO -0.34 0.48 0.05 -0.08 0.00 0.00 0.00 178.15 178.26 2wxr h GLU 873 N 0.75 0.16 -0.94 2.37 4.57 -0.85 -0.46 114.58 120.18 2wxr h GLU 873 Ca 0.09 -0.03 0.03 0.00 -1.18 0.00 0.00 59.36 58.27 2wxr h GLU 873 Cb 0.84 -0.03 -0.05 0.00 -0.16 0.00 0.00 28.75 29.35 2wxr h GLU 873 CO 0.07 0.26 0.62 0.93 -1.18 0.00 0.00 179.01 179.71 2wxr h GLU 874 N 0.03 1.18 -0.56 1.92 4.39 0.09 0.16 114.58 121.79 2wxr h GLU 874 Ca 0.04 -0.07 -0.08 0.00 0.34 0.00 0.00 59.36 59.58 2wxr h GLU 874 Cb 0.16 -0.27 -0.02 0.00 -0.10 0.00 0.00 28.75 28.52 2wxr h GLU 874 CO -0.00 0.78 0.03 0.35 -1.16 0.00 0.00 179.01 179.00 2wxr h PHE 875 N 1.21 1.00 -0.05 4.33 3.57 -0.52 -2.59 116.94 123.90 2wxr h PHE 875 Ca 0.37 -0.15 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 2wxr h PHE 875 Cb -0.04 -0.27 0.00 0.00 2.79 0.00 0.00 35.95 38.43 2wxr h PHE 875 CO -0.00 0.89 -0.12 1.15 -2.23 0.00 0.00 178.31 178.01 2wxr h THR 876 N 0.87 1.43 -0.06 4.41 2.02 0.27 -1.78 112.91 120.07 2wxr h THR 876 Ca 0.17 -1.45 0.04 0.00 0.77 0.00 0.00 66.41 65.93 2wxr h THR 876 Cb 0.48 2.26 -0.05 0.00 -1.74 0.00 0.00 68.15 69.10 2wxr h THR 876 CO 0.02 0.40 -0.23 -0.07 0.37 0.00 0.00 175.52 176.01 2wxr h LEU 877 N -0.34 -0.69 -0.46 2.58 3.38 -0.80 -1.54 115.31 117.44 2wxr h LEU 877 Ca 0.00 0.10 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2wxr h LEU 877 Cb 0.71 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2wxr h LEU 877 CO 0.03 -0.29 -0.49 0.77 0.09 0.00 0.00 178.44 178.55 2wxr h SER 878 N -0.33 0.80 -0.30 -0.43 4.64 -0.90 -1.90 113.55 115.12 2wxr h SER 878 Ca 0.08 -0.40 0.07 0.00 -0.47 0.00 0.00 61.79 61.07 2wxr h SER 878 Cb 0.44 -0.23 -0.07 0.00 -0.31 0.00 0.00 62.40 62.23 2wxr h SER 878 CO -0.25 1.15 -0.16 0.00 -0.87 0.00 0.00 176.83 176.70 2wxr h ALA 880 N 1.11 1.39 -0.33 0.00 0.00 -0.52 0.15 119.26 121.07 2wxr h ALA 880 Ca 0.16 -0.13 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 2wxr h ALA 880 Cb 0.35 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 2wxr h ALA 880 CO -0.38 0.47 -0.03 0.78 0.00 0.00 0.00 179.25 180.09 2wxr h GLY 881 N 0.89 0.65 1.39 0.00 0.00 -1.03 -1.45 103.07 103.51 2wxr h GLY 881 Ca 0.19 -0.50 -0.15 0.00 0.00 0.00 0.00 47.33 46.87 2wxr h GLY 881 CO -0.02 0.46 -0.44 -0.97 0.00 0.00 0.00 176.54 175.57 2wxr h TYR 882 N 0.39 0.80 -0.72 5.60 0.05 -0.61 0.27 116.97 122.75 2wxr h TYR 882 Ca 0.09 -0.25 -0.07 0.00 0.05 0.00 0.00 58.73 58.55 2wxr h TYR 882 Cb 0.50 -0.16 -0.03 0.00 1.01 0.00 0.00 36.73 38.05 2wxr h TYR 882 CO 0.04 0.99 0.19 0.00 -1.05 0.00 0.00 178.16 178.32 2wxr h VAL 884 N 1.09 1.32 -0.46 0.00 2.07 -1.09 -2.44 116.25 116.74 2wxr h VAL 884 Ca 0.23 -1.77 -0.08 0.00 0.82 0.00 0.00 66.70 65.91 2wxr h VAL 884 Cb 0.36 1.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 2wxr h VAL 884 CO 0.00 0.55 -0.01 0.00 0.02 0.00 0.00 177.57 178.13 2wxr h ALA 885 N 0.56 0.62 -0.20 1.67 0.00 -0.24 0.53 119.26 122.21 2wxr h ALA 885 Ca -0.02 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.49 2wxr h ALA 885 Cb 1.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 2wxr h ALA 885 CO 0.11 0.43 -0.39 1.79 0.00 0.00 0.00 179.25 181.19 2wxr h THR 886 N 0.67 1.30 0.52 0.00 1.35 -0.78 -1.81 112.91 114.16 2wxr h THR 886 Ca 0.13 -1.53 -0.03 0.00 -0.55 0.00 0.00 66.41 64.43 2wxr h THR 886 Cb 0.51 1.58 0.01 0.00 -1.73 0.00 0.00 68.15 68.52 2wxr h THR 886 CO 0.03 0.47 -0.25 0.22 -0.25 0.00 0.00 175.52 175.74 2wxr h TYR 887 N 0.37 -0.64 -0.66 4.73 3.20 -1.02 -1.35 116.97 121.61 2wxr h TYR 887 Ca 0.04 -0.02 0.12 0.00 3.14 0.00 0.00 58.73 62.01 2wxr h TYR 887 Cb 0.85 0.21 -0.08 0.00 1.54 0.00 0.00 36.73 39.25 2wxr h TYR 887 CO 0.03 -0.32 0.22 0.28 -1.64 0.00 0.00 178.16 176.73 2wxr h VAL 888 N -1.02 0.69 -0.00 1.81 2.07 -0.91 -2.83 116.25 116.05 2wxr h VAL 888 Ca -0.07 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.32 2wxr h VAL 888 Cb 0.61 0.28 0.00 0.00 -1.52 0.00 0.00 31.29 30.66 2wxr h VAL 888 CO 0.12 0.07 0.00 0.18 0.02 0.00 0.00 177.57 177.95 2wxr n LEU 889 N -5.04 0.06 -2.66 2.57 4.77 -0.68 -4.77 117.00 111.24 2wxr n LEU 889 Ca 0.11 -0.02 -0.19 0.00 -0.03 0.00 0.00 56.01 55.88 2wxr n LEU 889 Cb 0.34 -0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2wxr n LEU 889 CO 0.19 0.01 0.06 0.61 -1.33 0.00 0.00 177.39 176.93 2wxr n GLY 890 N 1.01 -0.29 3.57 -0.72 0.00 -0.98 0.54 105.19 108.31 2wxr n GLY 890 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 2wxr n GLY 890 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wxr s ILE 891 N -3.13 5.02 0.01 -0.61 1.01 -0.55 -0.53 121.20 122.43 2wxr s ILE 891 Ca 0.32 0.45 0.00 0.00 0.00 0.00 0.00 60.65 61.43 2wxr s ILE 891 Cb -0.14 -3.94 0.00 0.00 0.01 0.00 0.00 42.46 38.39 2wxr s ILE 891 CO 0.40 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.79 2wxr n GLY 892 N 4.72 3.53 3.74 6.18 0.00 -1.26 -4.73 105.19 117.36 2wxr n GLY 892 Ca -0.04 -2.19 -0.27 0.00 0.00 0.00 0.00 46.02 43.52 2wxr n GLY 892 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2wxr n ASP 893 N -1.58 -5.59 -4.74 1.61 2.03 -1.26 -4.88 116.55 102.13 2wxr n ASP 893 Ca -0.00 -0.65 -0.40 0.00 0.52 0.00 0.00 54.79 54.25 2wxr n ASP 893 Cb 0.01 -4.52 -0.05 0.00 -0.72 0.00 0.00 41.12 35.84 2wxr n ASP 893 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 2wxr s ARG 894 N -6.44 4.64 0.37 -0.67 1.81 -1.26 -4.98 118.95 112.42 2wxr s ARG 894 Ca 0.61 1.29 -0.14 0.00 -1.72 0.00 0.00 55.73 55.76 2wxr s ARG 894 Cb -0.29 -3.34 0.05 0.00 -0.45 0.00 0.00 34.95 30.92 2wxr s ARG 894 CO 0.78 0.33 0.75 -3.38 -0.68 0.00 0.00 175.30 173.09 2wxr s HIS 895 N -0.35 0.21 -1.02 -0.53 -3.43 -1.26 -5.06 115.29 103.85 2wxr s HIS 895 Ca 0.42 -0.82 0.11 0.00 -0.80 0.00 0.00 55.06 53.97 2wxr s HIS 895 Cb -0.23 0.72 0.48 0.00 -1.43 0.00 0.00 32.58 32.12 2wxr s HIS 895 CO 0.27 -1.50 1.35 -1.13 -2.00 0.00 0.00 174.74 171.74 2wxr n SER 896 N -1.34 0.00 0.11 7.38 3.41 -1.26 -1.40 113.62 120.52 2wxr n SER 896 Ca -0.07 0.48 0.09 0.00 -0.26 0.00 0.00 58.87 59.12 2wxr n SER 896 Cb 0.60 -0.49 0.01 0.00 -0.26 0.00 0.00 64.21 64.07 2wxr n SER 896 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2wxr h ASP 897 N 0.00 0.00 -0.26 4.04 5.19 -1.96 0.28 116.42 123.71 2wxr h ASP 897 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 2wxr h ASP 897 Cb 0.19 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.70 2wxr h ASP 897 CO 0.00 0.12 0.00 -0.46 -3.12 0.00 0.00 179.24 175.78 2wxr n ASN 898 N -2.80 2.67 -4.42 6.45 2.04 -0.49 -4.92 115.26 113.79 2wxr n ASN 898 Ca -0.01 -1.90 -0.33 0.00 -0.44 0.00 0.00 54.58 51.90 2wxr n ASN 898 Cb 0.60 -0.17 -0.14 0.00 -2.53 0.00 0.00 39.78 37.54 2wxr n ASN 898 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 2wxr s ILE 899 N -0.97 2.95 0.21 1.53 1.01 -1.17 -0.90 121.20 123.87 2wxr s ILE 899 Ca 0.19 -0.74 0.09 0.00 0.00 0.00 0.00 60.65 60.19 2wxr s ILE 899 Cb 0.11 -2.17 -0.05 0.00 0.01 0.00 0.00 42.46 40.36 2wxr s ILE 899 CO 0.14 0.57 -0.16 -0.04 0.00 0.00 0.00 174.94 175.45 2wxr s MET 900 N -0.35 1.39 -0.01 2.79 -1.94 0.02 -1.86 119.30 119.35 2wxr s MET 900 Ca 0.03 -1.60 0.03 0.00 -1.71 0.00 0.00 55.69 52.44 2wxr s MET 900 Cb -0.12 -1.29 -0.00 0.00 2.01 0.00 0.00 34.83 35.42 2wxr s MET 900 CO 0.02 0.23 -0.10 0.96 -0.01 0.00 0.00 175.02 176.12 2wxr s ILE 901 N -2.72 0.85 0.44 2.53 -4.36 -0.16 -1.23 121.20 116.55 2wxr s ILE 901 Ca 0.23 -0.44 -0.01 0.00 -0.26 0.00 0.00 60.65 60.17 2wxr s ILE 901 Cb -0.02 -0.72 -0.02 0.00 1.25 0.00 0.00 42.46 42.94 2wxr s ILE 901 CO 0.09 0.25 0.67 -0.13 0.24 0.00 0.00 174.94 176.06 2wxr s ARG 902 N -0.11 3.25 0.49 0.37 0.52 0.88 -1.52 118.95 122.82 2wxr s ARG 902 Ca 0.02 -0.30 0.32 0.00 -0.52 0.00 0.00 55.73 55.25 2wxr s ARG 902 Cb -0.06 -2.54 1.44 0.00 0.52 0.00 0.00 34.95 34.32 2wxr s ARG 902 CO -0.00 -0.18 1.97 0.93 0.02 0.00 0.00 175.30 178.04 2wxr h GLU 903 N 0.42 0.00 0.00 3.54 5.08 -1.68 0.19 114.58 122.14 2wxr h GLU 903 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 2wxr h GLU 903 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2wxr h GLU 903 CO 0.59 0.00 0.00 -1.13 -1.00 0.00 0.00 179.01 177.47 2wxr n SER 904 N -2.84 0.00 0.00 1.42 3.41 -1.26 -4.78 113.62 109.57 2wxr n SER 904 Ca 0.00 0.08 0.00 0.00 -0.26 0.00 0.00 58.87 58.69 2wxr n SER 904 Cb 0.23 -0.32 0.00 0.00 -0.26 0.00 0.00 64.21 63.87 2wxr n SER 904 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wxr n GLY 905 N 0.34 1.00 3.69 5.00 0.00 0.66 -4.24 105.19 111.65 2wxr n GLY 905 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.68 2wxr n GLY 905 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wxr s GLN 906 N -0.66 4.21 0.18 1.61 -0.21 -1.24 -3.01 119.66 120.55 2wxr s GLN 906 Ca 0.00 2.28 -0.06 0.00 0.02 0.00 0.00 55.36 57.60 2wxr s GLN 906 Cb 0.00 -3.59 -0.06 0.00 1.00 0.00 0.00 33.01 30.36 2wxr s GLN 906 CO 0.00 -0.71 0.45 -1.17 -2.12 0.00 0.00 175.29 171.74 2wxr s LEU 907 N 2.58 4.22 0.26 2.90 0.20 -1.26 -0.09 118.68 127.48 2wxr s LEU 907 Ca 0.72 0.70 -0.20 0.00 0.69 0.00 0.00 54.13 56.05 2wxr s LEU 907 Cb -0.39 -3.45 0.07 0.00 -0.43 0.00 0.00 46.19 41.99 2wxr s LEU 907 CO 0.31 -0.01 0.95 0.72 -0.29 0.00 0.00 176.35 178.03 2wxr s PHE 908 N -1.75 0.09 0.02 5.38 -0.12 -0.36 -4.69 117.98 116.54 2wxr s PHE 908 Ca 0.43 -0.58 0.07 0.00 -0.05 0.00 0.00 56.93 56.80 2wxr s PHE 908 Cb -0.12 0.75 -0.02 0.00 -0.63 0.00 0.00 43.02 43.00 2wxr s PHE 908 CO 0.24 -1.16 -0.20 -1.01 -0.05 0.00 0.00 175.22 173.04 2wxr s HIS 909 N -2.24 1.81 0.34 3.49 3.76 -1.26 -0.80 115.29 120.39 2wxr s HIS 909 Ca 0.19 -0.36 0.07 0.00 -0.15 0.00 0.00 55.06 54.81 2wxr s HIS 909 Cb -0.04 -1.11 -0.07 0.00 1.11 0.00 0.00 32.58 32.48 2wxr s HIS 909 CO 0.07 0.05 -0.03 0.96 -0.85 0.00 0.00 174.74 174.94 2wxr s ILE 910 N -0.68 1.79 -0.90 0.60 -4.36 -0.08 -4.94 121.20 112.63 2wxr s ILE 910 Ca 0.08 -2.09 -0.07 0.00 -0.26 0.00 0.00 60.65 58.31 2wxr s ILE 910 Cb -0.08 -2.69 -0.01 0.00 1.25 0.00 0.00 42.46 40.92 2wxr s ILE 910 CO 0.01 -0.15 0.72 0.47 0.24 0.00 0.00 174.94 176.23 2wxr n ASP 911 N -0.75 -6.27 -4.66 4.36 8.00 -1.26 -4.77 116.55 111.21 2wxr n ASP 911 Ca -0.05 -0.62 -0.37 0.00 0.71 0.00 0.00 54.79 54.46 2wxr n ASP 911 Cb 0.65 -3.84 -0.09 0.00 -0.02 0.00 0.00 41.12 37.82 2wxr n ASP 911 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2wxr s PHE 912 N -3.16 3.32 0.00 1.24 0.08 -1.26 -4.88 117.98 113.32 2wxr s PHE 912 Ca 0.18 0.35 0.00 0.00 0.12 0.00 0.00 56.93 57.57 2wxr s PHE 912 Cb -0.05 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 40.02 2wxr s PHE 912 CO 0.82 0.01 0.52 0.41 -0.10 0.00 0.00 175.22 176.88 2wxr n GLY 913 N 4.25 -1.33 2.93 4.36 0.00 -1.26 -3.73 105.19 110.41 2wxr n GLY 913 Ca -0.12 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.64 2wxr n GLY 913 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2wxr s HIS 914 N -0.18 1.38 0.33 1.61 3.76 -1.26 -5.03 115.29 115.90 2wxr s HIS 914 Ca 0.00 -0.62 -0.07 0.00 -0.15 0.00 0.00 55.06 54.22 2wxr s HIS 914 Cb 0.00 -1.13 0.03 0.00 1.11 0.00 0.00 32.58 32.59 2wxr s HIS 914 CO 0.00 -0.42 0.57 1.97 -0.85 0.00 0.00 174.74 176.01 2wxr n PHE 915 N 4.58 -1.78 -3.72 1.40 -0.00 -1.26 -3.99 117.46 112.69 2wxr n PHE 915 Ca -0.16 -1.88 -0.29 0.00 -0.00 0.00 0.00 57.45 55.12 2wxr n PHE 915 Cb 0.51 0.66 -0.05 0.00 -0.00 0.00 0.00 39.48 40.59 2wxr n PHE 915 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 2wxr n LEU 916 N 0.00 -0.55 0.00 5.98 4.77 0.19 -0.47 117.00 126.92 2wxr n LEU 916 Ca -0.04 -0.72 0.00 0.00 -0.03 0.00 0.00 56.01 55.22 2wxr n LEU 916 Cb 0.53 -1.28 0.00 0.00 -2.33 0.00 0.00 43.42 40.33 2wxr n LEU 916 CO 0.25 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 176.99 2wxr n GLY 917 N -0.86 2.65 3.58 -0.72 0.00 0.32 -4.87 105.19 105.29 2wxr n GLY 917 Ca 0.08 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.92 2wxr n GLY 917 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2wxr s ASN 918 N -3.37 3.76 -0.02 1.61 0.02 0.38 -4.68 114.94 112.64 2wxr s ASN 918 Ca 0.00 -1.10 -0.02 0.00 -1.02 0.00 0.00 52.86 50.71 2wxr s ASN 918 Cb 0.00 -2.60 -0.01 0.00 0.02 0.00 0.00 41.25 38.66 2wxr s ASN 918 CO 0.00 -4.41 0.23 2.19 0.02 0.00 0.00 177.10 175.13 2wxr h PHE 919 N 11.24 -0.08 0.00 2.20 -0.00 -1.92 -3.40 116.94 124.98 2wxr h PHE 919 Ca 0.06 -0.00 -0.11 0.00 -0.00 0.00 0.00 57.97 57.91 2wxr h PHE 919 Cb 0.98 0.03 -0.04 0.00 -0.00 0.00 0.00 35.95 36.92 2wxr h PHE 919 CO 1.06 -0.05 0.70 -2.13 -0.00 0.00 0.00 178.31 177.89 2wxr n ARG 929 N -2.93 0.00 -2.41 6.09 3.00 -1.26 -5.20 116.66 113.94 2wxr n ARG 929 Ca -0.01 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.42 2wxr n ARG 929 Cb 0.03 -0.37 -0.03 0.00 0.00 0.00 0.00 32.46 32.10 2wxr n ARG 929 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 177.63 177.77 2wxr s VAL 930 N 0.00 4.16 0.70 5.15 -7.23 -1.26 -5.02 120.40 116.90 2wxr s VAL 930 Ca 0.42 1.48 -0.16 0.00 -1.81 0.00 0.00 61.98 61.92 2wxr s VAL 930 Cb -0.27 -3.95 0.02 0.00 0.56 0.00 0.00 36.38 32.74 2wxr s VAL 930 CO 0.18 -0.02 1.20 -2.16 -0.31 0.00 0.00 175.10 173.99 2wxr s PRO 931 N 2.45 2.31 0.45 4.82 0.04 -1.26 -4.98 135.00 138.83 2wxr s PRO 931 Ca 0.57 1.76 -0.24 0.00 0.04 0.00 0.00 61.00 63.12 2wxr s PRO 931 Cb -0.25 -1.85 -0.08 0.00 0.04 0.00 0.00 34.50 32.36 2wxr s PRO 931 CO 0.22 -1.70 1.28 0.12 0.04 0.00 0.00 177.00 176.96 2wxr s PHE 932 N -1.93 2.71 -0.12 0.56 5.36 -1.26 -4.94 117.98 118.36 2wxr s PHE 932 Ca 0.75 1.43 0.03 0.00 -0.96 0.00 0.00 56.93 58.18 2wxr s PHE 932 Cb -0.29 -3.63 0.01 0.00 -0.34 0.00 0.00 43.02 38.76 2wxr s PHE 932 CO 0.43 -2.14 -0.23 0.42 -1.46 0.00 0.00 175.22 172.24 2wxr s ILE 933 N -1.34 2.04 -0.29 3.12 -1.09 -1.26 -4.59 121.20 117.78 2wxr s ILE 933 Ca 0.62 -0.99 0.03 0.00 -2.23 0.00 0.00 60.65 58.08 2wxr s ILE 933 Cb -0.36 -1.78 0.08 0.00 -1.58 0.00 0.00 42.46 38.81 2wxr s ILE 933 CO 0.45 0.55 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.93 2wxr s LEU 934 N 0.59 3.85 -0.06 2.97 1.43 -1.26 -4.96 118.68 121.24 2wxr s LEU 934 Ca -0.13 -1.72 -0.29 0.00 -1.03 0.00 0.00 54.13 50.96 2wxr s LEU 934 Cb -0.17 -1.50 -0.02 0.00 0.03 0.00 0.00 46.19 44.53 2wxr s LEU 934 CO 0.03 -0.29 0.96 -0.89 0.23 0.00 0.00 176.35 176.39 2wxr s THR 935 N 1.08 4.85 0.38 5.49 2.01 -1.26 -3.98 115.64 124.21 2wxr s THR 935 Ca 0.01 1.98 0.15 0.00 0.31 0.00 0.00 61.69 64.14 2wxr s THR 935 Cb -0.19 -4.28 0.37 0.00 0.01 0.00 0.00 72.50 68.40 2wxr s THR 935 CO -0.08 0.09 1.80 0.22 -0.69 0.00 0.00 174.62 175.97 2wxr h TYR 936 N 6.96 0.71 0.00 4.92 3.20 -1.94 -1.71 116.97 129.11 2wxr h TYR 936 Ca -0.36 0.02 -0.03 0.00 3.14 0.00 0.00 58.73 61.51 2wxr h TYR 936 Cb 1.18 -0.21 -0.00 0.00 1.54 0.00 0.00 36.73 39.23 2wxr h TYR 936 CO 0.69 0.14 -0.12 -0.44 -1.64 0.00 0.00 178.16 176.79 2wxr h ASP 937 N 0.49 0.00 0.19 -2.11 5.19 -1.96 0.17 116.42 118.39 2wxr h ASP 937 Ca 0.54 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.94 2wxr h ASP 937 Cb 1.23 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.75 2wxr h ASP 937 CO -0.27 0.12 -0.09 -0.26 -3.12 0.00 0.00 179.24 175.62 2wxr h PHE 938 N 0.00 -0.23 -0.79 4.55 0.04 -1.75 -2.95 116.94 115.82 2wxr h PHE 938 Ca -0.00 -0.01 0.13 0.00 2.80 0.00 0.00 57.97 60.90 2wxr h PHE 938 Cb 1.02 0.08 -0.13 0.00 2.20 0.00 0.00 35.95 39.11 2wxr h PHE 938 CO 0.00 0.12 -0.27 0.28 -0.60 0.00 0.00 178.31 177.84 2wxr n VAL 939 N -4.93 -0.38 -0.28 -0.55 0.31 -0.76 -0.47 118.33 111.26 2wxr n VAL 939 Ca -0.06 1.83 0.02 0.00 -0.01 0.00 0.00 64.34 66.11 2wxr n VAL 939 Cb 0.23 -2.46 0.15 0.00 -0.91 0.00 0.00 33.84 30.85 2wxr n VAL 939 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2wxr h HIS 940 N 0.00 0.85 -0.34 3.52 -0.00 -0.68 -0.79 115.15 117.70 2wxr h HIS 940 Ca 0.31 0.03 -0.05 0.00 -0.00 0.00 0.00 60.37 60.66 2wxr h HIS 940 Cb 0.51 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.64 2wxr h HIS 940 CO -0.66 0.38 0.00 0.28 -0.00 0.00 0.00 177.93 177.93 2wxr h VAL 941 N 0.81 1.26 -0.92 5.26 2.07 -0.59 -1.68 116.25 122.45 2wxr h VAL 941 Ca 0.37 -0.96 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2wxr h VAL 941 Cb 0.29 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 2wxr h VAL 941 CO -0.22 0.32 0.60 0.40 0.02 0.00 0.00 177.57 178.69 2wxr h ILE 942 N 0.41 1.12 -0.10 4.57 2.04 -0.14 -0.96 117.51 124.44 2wxr h ILE 942 Ca 0.10 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.57 2wxr h ILE 942 Cb 0.45 -0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 36.43 2wxr h ILE 942 CO 0.02 0.20 0.01 0.00 0.00 0.00 0.00 178.15 178.38 2wxr n GLN 943 N -4.46 1.63 -1.81 2.37 6.02 -0.36 -4.71 117.38 116.05 2wxr n GLN 943 Ca 0.13 -0.53 -0.08 0.00 -0.01 0.00 0.00 57.00 56.51 2wxr n GLN 943 Cb 0.14 -1.60 -0.02 0.00 1.02 0.00 0.00 30.24 29.79 2wxr n GLN 943 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 177.06 177.09 2wxr n GLN 944 N 0.12 -1.80 0.00 -1.09 6.02 -0.37 -1.06 117.38 119.21 2wxr n GLN 944 Ca 0.05 0.43 0.00 0.00 -0.01 0.00 0.00 57.00 57.47 2wxr n GLN 944 Cb 0.43 -4.77 0.00 0.00 1.02 0.00 0.00 30.24 26.92 2wxr n GLN 944 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2wxr n GLY 945 N -0.41 0.43 3.87 1.08 0.00 -0.64 -5.04 105.19 104.49 2wxr n GLY 945 Ca -0.09 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.59 2wxr n GLY 945 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxr s LYS 946 N -0.88 3.78 0.26 1.61 1.02 -0.22 -5.00 119.74 120.30 2wxr s LYS 946 Ca 0.00 0.20 -0.04 0.00 0.02 0.00 0.00 55.97 56.15 2wxr s LYS 946 Cb 0.00 -2.91 0.31 0.00 -0.52 0.00 0.00 37.83 34.71 2wxr s LYS 946 CO 0.00 0.50 1.82 1.15 -0.92 0.00 0.00 175.35 177.90 2wxr h THR 947 N 2.61 1.24 -4.22 2.17 2.02 -1.96 -3.42 112.91 111.35 2wxr h THR 947 Ca -0.48 -0.78 -0.53 0.00 0.77 0.00 0.00 66.41 65.39 2wxr h THR 947 Cb 1.19 0.46 -0.30 0.00 -1.74 0.00 0.00 68.15 67.76 2wxr h THR 947 CO 0.68 0.31 -0.83 0.20 0.37 0.00 0.00 175.52 176.25 2wxr s ASN 948 N -6.47 1.92 -0.42 4.18 0.01 -1.26 -5.04 114.94 107.86 2wxr s ASN 948 Ca -0.11 -0.30 0.02 0.00 -0.71 0.00 0.00 52.86 51.77 2wxr s ASN 948 Cb 0.16 -0.27 0.25 0.00 0.41 0.00 0.00 41.25 41.80 2wxr s ASN 948 CO 0.82 0.19 1.03 -3.20 -1.51 0.00 0.00 177.10 174.42 2wxr n ASN 949 N 2.76 -2.26 0.24 -1.22 2.85 -1.26 -5.01 115.26 111.35 2wxr n ASN 949 Ca -0.15 -2.64 0.11 0.00 -0.11 0.00 0.00 54.58 51.79 2wxr n ASN 949 Cb 0.54 1.37 0.58 0.00 1.24 0.00 0.00 39.78 43.51 2wxr n ASN 949 CO 0.00 0.00 0.00 0.77 -2.11 0.00 0.00 177.26 175.92 2wxr h SER 950 N 3.70 0.00 -0.47 1.20 4.64 -1.96 0.28 113.55 120.94 2wxr h SER 950 Ca -0.17 0.00 0.04 0.00 -0.47 0.00 0.00 61.79 61.19 2wxr h SER 950 Cb 1.11 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.15 2wxr h SER 950 CO 0.10 0.18 0.23 -0.08 -0.87 0.00 0.00 176.83 176.40 2wxr h GLU 951 N 0.00 0.44 0.18 4.77 4.81 -1.98 0.20 114.58 123.00 2wxr h GLU 951 Ca -0.00 -0.03 -0.31 0.00 -0.13 0.00 0.00 59.36 58.89 2wxr h GLU 951 Cb 0.56 -0.10 0.02 0.00 0.63 0.00 0.00 28.75 29.86 2wxr h GLU 951 CO 0.02 0.29 -1.40 0.87 -0.73 0.00 0.00 179.01 178.06 2wxr h LYS 952 N 0.45 0.39 -0.55 1.92 1.79 -1.74 -2.98 116.57 115.85 2wxr h LYS 952 Ca 0.21 -0.66 -0.05 0.00 -2.18 0.00 0.00 60.65 57.97 2wxr h LYS 952 Cb 0.12 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.00 2wxr h LYS 952 CO -0.15 1.31 0.15 0.35 -1.08 0.00 0.00 179.45 180.02 2wxr h PHE 953 N 0.11 0.91 0.00 -1.35 3.57 -0.37 -2.71 116.94 117.10 2wxr h PHE 953 Ca -0.21 -0.10 -0.13 0.00 3.53 0.00 0.00 57.97 61.06 2wxr h PHE 953 Cb 2.07 -0.26 -0.02 0.00 2.79 0.00 0.00 35.95 40.53 2wxr h PHE 953 CO 0.09 0.78 -0.60 0.93 -2.23 0.00 0.00 178.31 177.28 2wxr h GLU 954 N 0.78 0.00 -0.13 1.11 4.39 -1.08 -2.23 114.58 117.42 2wxr h GLU 954 Ca 0.18 0.00 0.04 0.00 0.34 0.00 0.00 59.36 59.92 2wxr h GLU 954 Cb 0.32 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 28.92 2wxr h GLU 954 CO -0.00 0.60 -0.15 0.00 -1.16 0.00 0.00 179.01 178.30 2wxr h ARG 955 N 0.00 -0.18 -0.56 2.33 3.08 -1.49 -2.15 114.38 115.42 2wxr h ARG 955 Ca -0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.17 2wxr h ARG 955 Cb 1.37 0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.37 2wxr h ARG 955 CO 0.08 -0.12 -0.02 0.35 -1.07 0.00 0.00 179.97 179.19 2wxr h PHE 956 N -0.18 -0.08 -0.75 3.04 3.57 -1.24 0.22 116.94 121.52 2wxr h PHE 956 Ca 0.09 0.04 0.12 0.00 3.53 0.00 0.00 57.97 61.76 2wxr h PHE 956 Cb 0.32 0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.10 2wxr h PHE 956 CO -0.27 -0.16 0.34 -0.09 -2.23 0.00 0.00 178.31 175.91 2wxr h ARG 957 N 0.09 0.52 -0.39 1.11 2.43 -1.22 -2.39 114.38 114.54 2wxr h ARG 957 Ca 0.29 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2wxr h ARG 957 Cb 0.45 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.86 2wxr h ARG 957 CO -0.50 0.34 0.23 0.78 -1.51 0.00 0.00 179.97 179.32 2wxr h GLY 958 N 0.54 0.56 -0.56 2.80 0.00 0.08 -1.03 103.07 105.46 2wxr h GLY 958 Ca 0.40 -0.24 0.07 0.00 0.00 0.00 0.00 47.33 47.56 2wxr h GLY 958 CO -0.34 0.23 -0.52 -0.97 0.00 0.00 0.00 176.54 174.94 2wxr h TYR 959 N 0.50 -1.57 -0.89 5.60 0.05 -1.09 0.91 116.97 120.48 2wxr h TYR 959 Ca 0.14 0.09 0.12 0.00 0.05 0.00 0.00 58.73 59.13 2wxr h TYR 959 Cb 0.01 0.77 -0.07 0.00 1.01 0.00 0.00 36.73 38.45 2wxr h TYR 959 CO -0.03 -0.44 0.57 0.00 -1.05 0.00 0.00 178.16 177.21 2wxr h GLU 961 N 0.78 -0.01 -0.60 0.00 5.08 -0.18 0.40 114.58 120.05 2wxr h GLU 961 Ca 0.44 0.00 0.10 0.00 -1.00 0.00 0.00 59.36 58.89 2wxr h GLU 961 Cb 0.58 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.73 2wxr h GLU 961 CO -0.20 0.79 -0.41 0.00 -1.00 0.00 0.00 179.01 178.19 2wxr h ARG 962 N -0.83 -0.19 -0.14 2.33 3.08 -0.79 0.62 114.38 118.46 2wxr h ARG 962 Ca -0.00 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.07 2wxr h ARG 962 Cb 0.80 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.88 2wxr h ARG 962 CO 0.00 -0.13 0.08 0.00 -1.07 0.00 0.00 179.97 178.85 2wxr h ALA 963 N 0.76 0.17 -0.75 0.04 0.00 -1.07 0.14 119.26 118.55 2wxr h ALA 963 Ca 0.20 -0.00 0.11 0.00 0.00 0.00 0.00 54.91 55.22 2wxr h ALA 963 Cb 0.56 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2wxr h ALA 963 CO -0.70 -0.36 0.37 -0.92 0.00 0.00 0.00 179.25 177.64 2wxr h TYR 964 N 0.17 0.65 0.00 0.00 3.20 -0.67 -2.60 116.97 117.72 2wxr h TYR 964 Ca 0.06 0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.96 2wxr h TYR 964 Cb -0.00 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 38.09 2wxr h TYR 964 CO -0.08 0.21 -0.59 1.79 -1.64 0.00 0.00 178.16 177.84 2wxr h THR 965 N 0.60 0.00 -0.27 1.81 1.35 0.15 -2.79 112.91 113.75 2wxr h THR 965 Ca 0.38 -0.89 -0.17 0.00 -0.55 0.00 0.00 66.41 65.18 2wxr h THR 965 Cb 0.45 1.58 -0.00 0.00 -1.73 0.00 0.00 68.15 68.45 2wxr h THR 965 CO -0.30 0.00 -0.47 0.40 -0.25 0.00 0.00 175.52 174.90 2wxr h ILE 966 N 0.00 1.29 -0.17 6.82 2.04 -0.52 -3.05 117.51 123.92 2wxr h ILE 966 Ca 0.00 -1.67 -0.04 0.00 1.00 0.00 0.00 64.86 64.15 2wxr h ILE 966 Cb 0.95 1.67 -0.00 0.00 -0.74 0.00 0.00 36.82 38.69 2wxr h ILE 966 CO 0.00 0.54 -0.05 -0.07 0.00 0.00 0.00 178.15 178.56 2wxr h LEU 967 N 0.56 0.34 -0.86 1.44 3.38 -1.48 -2.32 115.31 116.37 2wxr h LEU 967 Ca 0.02 -0.38 0.26 0.00 0.09 0.00 0.00 57.88 57.87 2wxr h LEU 967 Cb 1.08 -0.09 -0.16 0.00 0.09 0.00 0.00 40.66 41.58 2wxr h LEU 967 CO 0.11 0.65 0.10 0.54 0.09 0.00 0.00 178.44 179.93 2wxr n ARG 968 N -4.65 -0.07 0.30 1.13 1.74 -1.05 0.17 116.66 114.23 2wxr n ARG 968 Ca -0.05 1.27 0.18 0.00 -0.77 0.00 0.00 57.85 58.47 2wxr n ARG 968 Cb 0.28 -2.06 0.93 0.00 -1.02 0.00 0.00 32.46 30.59 2wxr n ARG 968 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2wxr h ARG 969 N 0.00 0.00 -0.34 5.56 3.08 -1.30 -1.47 114.38 119.91 2wxr h ARG 969 Ca 0.56 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.61 2wxr h ARG 969 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.29 2wxr h ARG 969 CO -0.78 0.04 0.00 0.72 -1.07 0.00 0.00 179.97 178.88 2wxr n HIS 970 N -3.35 0.84 -0.33 3.04 8.25 0.13 -4.69 115.22 119.11 2wxr n HIS 970 Ca -0.02 -0.70 0.25 0.00 -0.26 0.00 0.00 57.72 56.99 2wxr n HIS 970 Cb 0.17 -0.20 0.47 0.00 1.12 0.00 0.00 29.99 31.55 2wxr n HIS 970 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2wxr h GLY 971 N 2.16 1.90 1.16 -1.41 0.00 -0.01 0.38 103.07 107.24 2wxr h GLY 971 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.24 2wxr h GLY 971 CO 0.15 -0.67 0.31 1.41 0.00 0.00 0.00 176.54 177.74 2wxr h LEU 972 N 0.04 0.98 -0.47 3.11 3.38 -1.83 -1.19 115.31 119.33 2wxr h LEU 972 Ca 0.75 -0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.62 2wxr h LEU 972 Cb 1.83 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 42.29 2wxr h LEU 972 CO -0.80 0.86 0.25 0.25 0.09 0.00 0.00 178.44 179.10 2wxr h LEU 973 N 1.06 0.38 -0.80 1.67 5.85 -0.60 -1.10 115.31 121.77 2wxr h LEU 973 Ca 0.25 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.92 2wxr h LEU 973 Cb 0.17 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 41.11 2wxr h LEU 973 CO -0.02 0.27 0.16 -0.26 -0.34 0.00 0.00 178.44 178.24 2wxr h PHE 974 N 0.50 1.11 -0.47 1.25 0.04 -1.15 -1.08 116.94 117.15 2wxr h PHE 974 Ca 0.20 -0.13 -0.10 0.00 2.80 0.00 0.00 57.97 60.74 2wxr h PHE 974 Cb 0.08 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 37.90 2wxr h PHE 974 CO -0.09 0.91 -0.12 -0.07 -0.60 0.00 0.00 178.31 178.34 2wxr h LEU 975 N 1.01 0.91 -0.46 1.54 3.38 -1.05 0.18 115.31 120.82 2wxr h LEU 975 Ca 0.21 -0.36 -0.05 0.00 0.09 0.00 0.00 57.88 57.77 2wxr h LEU 975 Cb 0.36 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 2wxr h LEU 975 CO 0.00 1.06 0.09 0.45 0.09 0.00 0.00 178.44 180.14 2wxr h HIS 976 N 0.75 0.80 -0.61 1.13 3.86 -1.08 -0.77 115.15 119.23 2wxr h HIS 976 Ca 0.12 -0.10 -0.05 0.00 -1.16 0.00 0.00 60.37 59.18 2wxr h HIS 976 Cb 0.67 -0.22 -0.03 0.00 1.06 0.00 0.00 27.41 28.89 2wxr h HIS 976 CO 0.05 0.74 0.20 -0.07 0.86 0.00 0.00 177.93 179.70 2wxr h LEU 977 N 0.63 0.85 -0.47 2.43 3.38 -0.95 -1.97 115.31 119.21 2wxr h LEU 977 Ca 0.14 -0.14 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 2wxr h LEU 977 Cb 0.36 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2wxr h LEU 977 CO 0.01 0.79 -0.56 -0.26 0.09 0.00 0.00 178.44 178.50 2wxr h PHE 978 N 0.89 0.00 -0.35 1.13 -1.00 -0.51 -2.21 116.94 114.90 2wxr h PHE 978 Ca 0.20 0.00 -0.07 0.00 2.81 0.00 0.00 57.97 60.91 2wxr h PHE 978 Cb 0.25 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 2wxr h PHE 978 CO 0.02 0.56 -0.07 0.00 -1.61 0.00 0.00 178.31 177.21 2wxr h ALA 979 N 1.44 0.48 -0.17 2.45 0.00 -0.72 -1.25 119.26 121.48 2wxr h ALA 979 Ca -0.01 -0.29 -0.08 0.00 0.00 0.00 0.00 54.91 54.53 2wxr h ALA 979 Cb 1.23 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2wxr h ALA 979 CO 0.07 0.32 -0.25 -0.07 0.00 0.00 0.00 179.25 179.32 2wxr h LEU 980 N 0.46 0.31 -1.31 0.00 3.38 -1.33 -2.97 115.31 113.86 2wxr h LEU 980 Ca 0.09 -0.09 -0.02 0.00 0.09 0.00 0.00 57.88 57.94 2wxr h LEU 980 Cb 0.57 -0.08 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2wxr h LEU 980 CO 0.03 0.56 -0.12 0.24 0.09 0.00 0.00 178.44 179.25 2wxr h MET 981 N 0.28 0.00 -0.52 1.13 2.86 -0.84 -2.13 114.93 115.72 2wxr h MET 981 Ca 0.04 0.00 0.15 0.00 -2.06 0.00 0.00 59.70 57.83 2wxr h MET 981 Cb 0.60 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.24 2wxr h MET 981 CO 0.04 0.12 0.78 0.00 1.06 0.00 0.00 176.91 178.91 2wxr h ARG 982 N 0.00 0.00 0.00 1.72 3.08 -1.07 0.60 114.38 118.71 2wxr h ARG 982 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2wxr h ARG 982 Cb 0.62 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.67 2wxr h ARG 982 CO 0.02 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.92 2wxr n ALA 983 N -2.12 2.30 0.09 0.04 0.00 -0.80 -3.98 120.51 116.04 2wxr n ALA 983 Ca 0.11 -0.13 0.09 0.00 0.00 0.00 0.00 53.44 53.51 2wxr n ALA 983 Cb 0.97 -1.33 -0.01 0.00 0.00 0.00 0.00 19.45 19.07 2wxr n ALA 983 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2wxr h ALA 984 N 3.30 0.54 -5.10 0.00 0.00 -1.11 -3.47 119.26 113.43 2wxr h ALA 984 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 54.91 54.43 2wxr h ALA 984 Cb 0.00 0.06 0.14 0.00 0.00 0.00 0.00 17.79 17.99 2wxr h ALA 984 CO 0.00 0.21 -0.64 0.41 0.00 0.00 0.00 179.25 179.23 2wxr n GLY 985 N 1.23 -0.26 3.59 0.00 0.00 -1.26 -5.00 105.19 103.50 2wxr n GLY 985 Ca -0.02 0.04 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2wxr n GLY 985 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2wxr s LEU 986 N -5.85 4.16 0.47 0.99 1.02 -1.26 -4.96 118.68 113.24 2wxr s LEU 986 Ca 0.12 0.32 0.30 0.00 0.02 0.00 0.00 54.13 54.88 2wxr s LEU 986 Cb -0.05 -2.67 1.38 0.00 0.02 0.00 0.00 46.19 44.87 2wxr s LEU 986 CO 0.62 -0.39 1.74 -0.65 0.02 0.00 0.00 176.35 177.69 2wxr h PRO 987 N 8.20 0.16 -0.21 1.29 0.11 -2.01 0.78 132.00 140.31 2wxr h PRO 987 Ca -0.28 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.82 2wxr h PRO 987 Cb 1.13 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.21 2wxr h PRO 987 CO 0.75 0.10 0.00 0.39 -0.21 0.00 0.00 178.00 179.03 2wxr n GLU 988 N -4.43 2.14 -3.37 1.05 1.02 -1.26 -4.24 120.64 111.54 2wxr n GLU 988 Ca 0.29 -1.70 -0.26 0.00 -0.02 0.00 0.00 57.16 55.48 2wxr n GLU 988 Cb 1.21 -1.46 -0.08 0.00 -0.02 0.00 0.00 31.44 31.09 2wxr n GLU 988 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2wxr n LEU 989 N 0.95 1.72 -0.05 -4.62 7.94 0.27 -4.85 117.00 118.37 2wxr n LEU 989 Ca 0.17 -4.99 -0.05 0.00 -1.11 0.00 0.00 56.01 50.04 2wxr n LEU 989 Cb 0.49 0.01 -0.07 0.00 0.53 0.00 0.00 43.42 44.38 2wxr n LEU 989 CO 0.15 2.01 -0.80 -1.20 -1.11 0.00 0.00 177.39 176.44 2wxr n SER 990 N 1.41 2.86 -1.07 1.96 7.64 -1.24 -4.33 113.62 120.84 2wxr n SER 990 Ca 0.25 -0.01 -0.00 0.00 1.01 0.00 0.00 58.87 60.12 2wxr n SER 990 Cb 0.46 0.61 0.00 0.00 -1.01 0.00 0.00 64.21 64.27 2wxr n SER 990 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2wxr h SER 992 N 0.07 0.90 -0.36 0.00 0.02 -2.00 -3.03 113.55 109.16 2wxr h SER 992 Ca -0.01 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.74 2wxr h SER 992 Cb 0.05 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.33 2wxr h SER 992 CO 0.02 0.87 0.16 0.11 -1.14 0.00 0.00 176.83 176.84 2wxr h LYS 993 N 0.92 0.58 -0.38 3.45 1.79 -1.98 0.55 116.57 121.50 2wxr h LYS 993 Ca 0.20 -0.08 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2wxr h LYS 993 Cb 0.32 -0.11 -0.02 0.00 -1.58 0.00 0.00 32.23 30.85 2wxr h LYS 993 CO -0.00 0.48 0.12 -0.44 -1.08 0.00 0.00 179.45 178.53 2wxr h ASP 994 N 0.58 0.56 -0.18 0.86 3.32 -1.87 -0.81 116.42 118.87 2wxr h ASP 994 Ca 0.14 -0.21 -0.03 0.00 0.02 0.00 0.00 57.03 56.96 2wxr h ASP 994 Cb 0.12 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.52 2wxr h ASP 994 CO -0.01 0.61 0.01 0.40 -1.72 0.00 0.00 179.24 178.53 2wxr h ILE 995 N 0.47 1.25 -0.91 0.35 1.08 -1.33 -2.41 117.51 116.01 2wxr h ILE 995 Ca 0.12 -0.83 0.19 0.00 -0.39 0.00 0.00 64.86 63.95 2wxr h ILE 995 Cb 0.26 1.44 -0.07 0.00 -3.07 0.00 0.00 36.82 35.38 2wxr h ILE 995 CO -0.00 0.25 0.59 -0.61 -0.69 0.00 0.00 178.15 177.69 2wxr h GLN 996 N 0.08 0.48 -0.69 2.37 5.75 0.09 -0.23 115.11 122.96 2wxr h GLN 996 Ca 0.05 -0.03 0.05 0.00 -0.15 0.00 0.00 58.65 58.57 2wxr h GLN 996 Cb 0.37 -0.11 -0.05 0.00 1.07 0.00 0.00 27.48 28.76 2wxr h GLN 996 CO 0.01 0.31 0.41 -0.92 -2.65 0.00 0.00 178.83 176.00 2wxr h TYR 997 N 0.49 0.77 -0.49 3.99 3.20 -0.61 0.25 116.97 124.57 2wxr h TYR 997 Ca 0.48 0.02 -0.08 0.00 3.14 0.00 0.00 58.73 62.29 2wxr h TYR 997 Cb 1.06 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 39.07 2wxr h TYR 997 CO -0.00 0.40 0.01 -0.07 -1.64 0.00 0.00 178.16 176.86 2wxr h LEU 998 N 0.78 0.84 -0.48 2.82 3.38 -1.05 -0.93 115.31 120.67 2wxr h LEU 998 Ca 0.30 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 58.05 2wxr h LEU 998 Cb 0.11 -0.22 -0.07 0.00 0.09 0.00 0.00 40.66 40.56 2wxr h LEU 998 CO -0.15 0.93 0.08 0.11 0.09 0.00 0.00 178.44 179.51 2wxr h LYS 999 N 0.72 0.21 0.00 1.13 1.57 -0.53 -0.50 116.57 119.17 2wxr h LYS 999 Ca 0.14 -0.01 -0.09 0.00 -1.87 0.00 0.00 60.65 58.82 2wxr h LYS 999 Cb 0.50 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.75 2wxr h LYS 999 CO 0.02 0.14 -0.41 -0.44 -0.57 0.00 0.00 179.45 178.19 2wxr h ASP 1000N 0.22 0.00 0.70 0.86 3.32 -0.26 -1.58 116.42 119.68 2wxr h ASP 1000Ca 0.24 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 57.03 2wxr h ASP 1000Cb 0.32 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 2wxr h ASP 1000CO -0.33 0.41 -1.25 0.77 -1.72 0.00 0.00 179.24 177.13 2wxr h SER 1001N 0.00 0.27 -0.30 6.45 4.64 -0.65 -3.26 113.55 120.69 2wxr h SER 1001Ca -0.00 -0.31 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2wxr h SER 1001Cb 0.93 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.93 2wxr h SER 1001CO 0.05 1.25 0.00 0.18 -0.87 0.00 0.00 176.83 177.44 2wxr n LEU 1002N -3.43 2.53 -4.09 5.97 4.77 -0.24 -4.89 117.00 117.61 2wxr n LEU 1002Ca -0.08 -1.10 -0.28 0.00 -0.03 0.00 0.00 56.01 54.52 2wxr n LEU 1002Cb 1.00 -0.19 -0.08 0.00 -2.33 0.00 0.00 43.42 41.82 2wxr n LEU 1002CO 0.51 0.55 -0.41 0.00 -1.33 0.00 0.00 177.39 176.71 2wxr n ALA 1003N 0.89 -1.91 0.22 -1.18 0.00 -0.60 -4.77 120.51 113.16 2wxr n ALA 1003Ca 0.17 -0.38 0.09 0.00 0.00 0.00 0.00 53.44 53.33 2wxr n ALA 1003Cb 0.46 -0.77 0.45 0.00 0.00 0.00 0.00 19.45 19.59 2wxr n ALA 1003CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wxr h LEU 1004N -1.47 0.00 0.00 0.00 7.12 -1.88 -2.34 115.31 116.75 2wxr h LEU 1004Ca -0.58 0.00 0.00 0.00 0.13 0.00 0.00 57.88 57.43 2wxr h LEU 1004Cb 1.23 0.00 0.00 0.00 -0.53 0.00 0.00 40.66 41.36 2wxr h LEU 1004CO 0.61 0.26 -0.06 0.61 -0.13 0.00 0.00 178.44 179.73 2wxr n GLY 1005N 0.06 -1.58 3.94 3.75 0.00 -1.26 -4.88 105.19 105.22 2wxr n GLY 1005Ca -0.00 -0.09 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 2wxr n GLY 1005CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wxr s LYS 1006N -3.05 2.28 0.47 1.61 1.02 -0.88 -5.08 119.74 116.11 2wxr s LYS 1006Ca 0.12 -0.41 -0.20 0.00 0.02 0.00 0.00 55.97 55.50 2wxr s LYS 1006Cb 0.16 -2.26 -0.09 0.00 -0.52 0.00 0.00 37.83 35.12 2wxr s LYS 1006CO 0.58 -1.11 1.00 0.95 -0.92 0.00 0.00 175.35 175.85 2wxr s THR 1007N -3.12 4.09 0.52 2.17 -4.23 -1.26 -4.87 115.64 108.95 2wxr s THR 1007Ca 0.59 1.26 0.40 0.00 -1.18 0.00 0.00 61.69 62.76 2wxr s THR 1007Cb -0.11 -3.53 0.41 0.00 1.34 0.00 0.00 72.50 70.62 2wxr s THR 1007CO 0.43 -0.33 2.26 -0.08 -0.54 0.00 0.00 174.62 176.36 2wxr h GLU 1008N 1.57 0.00 0.51 3.99 4.81 -1.97 0.89 114.58 124.38 2wxr h GLU 1008Ca -0.49 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 58.72 2wxr h GLU 1008Cb 1.20 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.59 2wxr h GLU 1008CO 0.60 0.01 -0.25 0.93 -0.73 0.00 0.00 179.01 179.58 2wxr h GLU 1009N 0.00 -0.66 -0.15 1.92 5.08 -2.00 -3.22 114.58 115.55 2wxr h GLU 1009Ca -0.00 0.05 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2wxr h GLU 1009Cb 0.14 0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2wxr h GLU 1009CO 0.00 -0.36 -0.11 0.93 -1.00 0.00 0.00 179.01 178.47 2wxr h GLU 1010N -1.04 -0.12 -0.94 2.33 5.08 -1.29 -2.64 114.58 115.96 2wxr h GLU 1010Ca -0.07 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2wxr h GLU 1010Cb 0.61 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2wxr h GLU 1010CO 0.12 -0.08 0.60 0.00 -1.00 0.00 0.00 179.01 178.65 2wxr h ALA 1011N 0.99 1.20 -0.57 3.43 0.00 -1.15 -0.47 119.26 122.68 2wxr h ALA 1011Ca 0.09 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.83 2wxr h ALA 1011Cb 0.26 -0.38 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2wxr h ALA 1011CO -0.22 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 180.89 2wxr h LEU 1012N 1.28 1.00 -0.63 0.00 5.85 -1.50 0.26 115.31 121.58 2wxr h LEU 1012Ca 0.34 -0.31 -0.15 0.00 0.84 0.00 0.00 57.88 58.61 2wxr h LEU 1012Cb -0.12 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 2wxr h LEU 1012CO -0.07 1.07 -0.52 0.50 -0.34 0.00 0.00 178.44 179.08 2wxr h LYS 1013N 0.91 0.45 0.44 1.25 1.63 -1.12 0.21 116.57 120.33 2wxr h LYS 1013Ca 0.16 -0.27 -0.02 0.00 -0.85 0.00 0.00 60.65 59.67 2wxr h LYS 1013Cb 0.56 0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.22 2wxr h LYS 1013CO 0.03 0.86 -0.21 1.25 -3.45 0.00 0.00 179.45 177.93 2wxr h HIS 1014N 0.35 -0.55 -1.07 1.91 2.76 -0.80 -2.05 115.15 115.70 2wxr h HIS 1014Ca 0.01 -0.01 0.29 0.00 -2.20 0.00 0.00 60.37 58.46 2wxr h HIS 1014Cb 1.03 0.18 -0.09 0.00 1.55 0.00 0.00 27.41 30.08 2wxr h HIS 1014CO 0.03 -0.25 0.70 0.35 -1.30 0.00 0.00 177.93 177.46 2wxr h PHE 1015N -0.79 0.57 0.00 5.26 3.57 -0.37 0.09 116.94 125.27 2wxr h PHE 1015Ca -0.06 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2wxr h PHE 1015Cb 0.55 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 2wxr h PHE 1015CO -0.00 0.03 -0.34 0.00 -2.23 0.00 0.00 178.31 175.76 2wxr h ARG 1016N 0.32 0.00 -0.02 1.11 3.08 0.11 -1.38 114.38 117.60 2wxr h ARG 1016Ca 0.61 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.62 2wxr h ARG 1016Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2wxr h ARG 1016CO -0.27 0.34 -0.14 0.28 -1.07 0.00 0.00 179.97 179.11 2wxr h VAL 1017N 0.00 1.52 -0.63 2.04 2.07 -0.44 -2.24 116.25 118.56 2wxr h VAL 1017Ca -0.00 -1.72 0.13 0.00 0.82 0.00 0.00 66.70 65.92 2wxr h VAL 1017Cb 0.67 2.59 -0.10 0.00 -1.52 0.00 0.00 31.29 32.93 2wxr h VAL 1017CO 0.04 0.47 0.08 0.11 0.02 0.00 0.00 177.57 178.29 2wxr h LYS 1018N -0.50 0.19 0.85 1.57 1.79 -1.31 0.90 116.57 120.06 2wxr h LYS 1018Ca -0.01 -0.01 -0.04 0.00 -2.18 0.00 0.00 60.65 58.40 2wxr h LYS 1018Cb 0.83 -0.04 0.01 0.00 -1.58 0.00 0.00 32.23 31.45 2wxr h LYS 1018CO 0.03 0.13 -0.41 0.35 -1.08 0.00 0.00 179.45 178.47 2wxr h PHE 1019N 0.20 -1.06 -0.59 -1.35 3.57 -1.26 0.26 116.94 116.71 2wxr h PHE 1019Ca 0.34 -0.02 0.12 0.00 3.53 0.00 0.00 57.97 61.93 2wxr h PHE 1019Cb 0.54 0.35 -0.11 0.00 2.79 0.00 0.00 35.95 39.51 2wxr h PHE 1019CO -0.30 -0.65 -0.19 -0.91 -2.23 0.00 0.00 178.31 174.03 2wxr h ASN 1020N -1.28 -0.69 -1.01 0.41 2.35 -1.01 0.91 115.58 115.27 2wxr h ASN 1020Ca -0.12 0.19 0.24 0.00 -0.55 0.00 0.00 56.30 56.07 2wxr h ASN 1020Cb 0.88 0.42 -0.09 0.00 0.05 0.00 0.00 38.32 39.58 2wxr h ASN 1020CO 0.19 -0.23 0.65 -0.33 -1.65 0.00 0.00 177.43 176.06 2wxr h GLU 1021N -0.05 0.43 -0.07 0.81 5.08 0.12 -1.51 114.58 119.38 2wxr h GLU 1021Ca 0.28 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.43 2wxr h GLU 1021Cb 0.47 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.64 2wxr h GLU 1021CO -0.63 0.28 -0.65 0.00 -1.00 0.00 0.00 179.01 177.02 2wxr h ALA 1022N 1.62 0.18 -0.50 3.43 0.00 0.43 -3.18 119.26 121.25 2wxr h ALA 1022Ca 0.57 -0.56 0.03 0.00 0.00 0.00 0.00 54.91 54.95 2wxr h ALA 1022Cb 1.37 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 2wxr h ALA 1022CO -0.28 0.47 0.27 1.25 0.00 0.00 0.00 179.25 180.96 2wxr h LEU 1023N 0.18 0.42 -2.91 0.00 5.85 0.26 -1.20 115.31 117.91 2wxr h LEU 1023Ca -0.06 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2wxr h LEU 1023Cb 1.31 -0.07 -0.00 0.00 0.37 0.00 0.00 40.66 42.27 2wxr h LEU 1023CO 0.13 0.29 0.01 0.08 -0.34 0.00 0.00 178.44 178.62 2wxr h ARG 1024N 0.54 0.00 0.05 1.25 0.11 -1.39 0.47 114.38 115.40 2wxr h ARG 1024Ca 0.21 0.00 -0.24 0.00 0.10 0.00 0.00 59.98 60.05 2wxr h ARG 1024Cb 0.08 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 2wxr h ARG 1024CO -0.12 0.00 -1.05 1.49 0.10 0.00 0.00 179.97 180.39 2wxr h GLU 1025N 0.00 0.27 -5.99 0.08 4.57 -1.21 -3.41 114.58 108.89 2wxr h GLU 1025Ca 0.00 -0.36 -0.66 0.00 -1.18 0.00 0.00 59.36 57.16 2wxr h GLU 1025Cb 0.03 0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.72 2wxr h GLU 1025CO -0.00 1.10 1.43 0.45 -1.18 0.00 0.00 179.01 180.81 2wxr n SER 1026N -3.61 2.34 0.00 1.04 2.88 0.16 -4.98 113.62 111.45 2wxr n SER 1026Ca -0.06 0.38 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 2wxr n SER 1026Cb 0.91 -1.31 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2wxr n SER 1026CO 0.00 0.00 0.00 0.79 -1.23 0.00 0.00 175.04 174.60