#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ddr n ASP 114 N 0.00 2.25 0.21 1.20 5.68 -1.26 -4.86 116.55 119.77 3ddr n ASP 114 Ca 0.00 -3.15 0.15 0.00 -0.50 0.00 0.00 54.79 51.29 3ddr n ASP 114 Cb 0.00 -0.56 0.71 0.00 -1.14 0.00 0.00 41.12 40.13 3ddr n ASP 114 CO 0.00 0.00 0.00 4.11 -1.33 0.00 0.00 177.20 179.98 3ddr h TRP 115 N 2.94 0.00 -0.44 2.11 5.08 -2.03 -2.97 115.95 120.63 3ddr h TRP 115 Ca 0.08 0.00 -0.01 0.00 1.08 0.00 0.00 58.89 60.03 3ddr h TRP 115 Cb 0.94 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.07 3ddr h TRP 115 CO 0.59 0.00 0.22 -0.24 -1.28 0.00 0.00 178.44 177.73 3ddr h VAL 116 N 0.00 1.15 0.00 0.12 3.04 -1.93 -1.17 116.25 117.46 3ddr h VAL 116 Ca 0.00 -0.41 0.00 0.00 -1.01 0.00 0.00 66.70 65.28 3ddr h VAL 116 Cb 0.21 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 30.07 3ddr h VAL 116 CO 0.00 0.17 0.00 -1.22 -1.01 0.00 0.00 177.57 175.51 3ddr n TYR 117 N -4.40 0.00 -0.05 3.17 4.01 -1.12 -1.88 117.16 116.88 3ddr n TYR 117 Ca 0.03 0.00 0.05 0.00 -0.16 0.00 0.00 57.90 57.82 3ddr n TYR 117 Cb 0.12 0.00 0.12 0.00 -0.31 0.00 0.00 39.34 39.27 3ddr n TYR 117 CO 0.00 0.00 0.00 -3.47 -0.46 0.00 0.00 176.86 172.93 3ddr n ASP 118 N -0.83 2.65 -4.44 7.72 2.03 -0.44 -4.72 116.55 118.53 3ddr n ASP 118 Ca 0.13 -1.89 -0.33 0.00 0.52 0.00 0.00 54.79 53.21 3ddr n ASP 118 Cb 0.06 -0.17 -0.13 0.00 -0.72 0.00 0.00 41.12 40.16 3ddr n ASP 118 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 3ddr s GLU 119 N -0.97 3.39 -1.19 -0.67 2.56 -0.79 -5.04 118.70 115.99 3ddr s GLU 119 Ca 0.19 -0.61 -0.14 0.00 0.00 0.00 0.00 54.97 54.41 3ddr s GLU 119 Cb 0.10 -2.71 -0.06 0.00 2.00 0.00 0.00 34.13 33.46 3ddr s GLU 119 CO 0.14 0.29 2.26 -2.30 -0.56 0.00 0.00 175.26 175.09 3ddr n PRO 120 N 3.34 2.48 0.00 4.30 -0.02 -1.26 -4.78 135.00 139.06 3ddr n PRO 120 Ca -0.18 -2.08 0.00 0.00 -2.02 0.00 0.00 63.50 59.22 3ddr n PRO 120 Cb 0.53 -2.93 0.00 0.00 -0.02 0.00 0.00 33.50 31.08 3ddr n PRO 120 CO 0.00 0.00 0.00 2.89 1.98 0.00 0.00 175.50 180.37 3ddr n ARG 121 N 5.50 0.00 -2.69 -0.52 1.85 -1.26 -4.82 116.66 114.72 3ddr n ARG 121 Ca 0.55 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.98 3ddr n ARG 121 Cb 0.31 0.00 -0.03 0.00 -1.05 0.00 0.00 32.46 31.69 3ddr n ARG 121 CO 0.00 0.00 0.00 -1.12 -0.01 0.00 0.00 177.63 176.50 3ddr s SER 122 N 0.00 6.27 0.17 2.89 0.01 -1.26 -4.97 113.70 116.81 3ddr s SER 122 Ca 0.00 -0.95 0.03 0.00 1.31 0.00 0.00 55.95 56.34 3ddr s SER 122 Cb 0.00 -2.50 -0.05 0.00 0.21 0.00 0.00 66.02 63.68 3ddr s SER 122 CO 0.00 -1.58 -0.05 0.54 0.41 0.00 0.00 173.24 172.56 3ddr s VAL 123 N 4.76 0.97 0.09 3.43 0.11 -1.26 -1.74 120.40 126.76 3ddr s VAL 123 Ca 0.32 -2.02 -0.26 0.00 -2.93 0.00 0.00 61.98 57.09 3ddr s VAL 123 Cb -0.09 -2.03 0.07 0.00 -1.53 0.00 0.00 36.38 32.80 3ddr s VAL 123 CO 0.07 -0.58 0.63 -0.55 -3.33 0.00 0.00 175.10 171.34 3ddr s SER 124 N -3.19 -0.59 0.03 3.54 0.15 -1.17 -4.92 113.70 107.54 3ddr s SER 124 Ca 0.21 0.21 0.03 0.00 0.70 0.00 0.00 55.95 57.11 3ddr s SER 124 Cb 0.04 0.57 -0.02 0.00 -1.71 0.00 0.00 66.02 64.91 3ddr s SER 124 CO 0.03 -0.85 -0.10 0.68 1.20 0.00 0.00 173.24 174.19 3ddr s VAL 125 N -2.97 0.80 -0.51 4.45 -7.23 -1.26 -1.12 120.40 112.56 3ddr s VAL 125 Ca -0.02 -0.86 -0.22 0.00 -1.81 0.00 0.00 61.98 59.07 3ddr s VAL 125 Cb -0.01 -0.76 0.04 0.00 0.56 0.00 0.00 36.38 36.22 3ddr s VAL 125 CO -0.06 -0.08 0.77 -0.63 -0.31 0.00 0.00 175.10 174.79 3ddr s ILE 126 N -0.85 4.65 0.70 -0.62 -1.09 0.10 -4.98 121.20 119.11 3ddr s ILE 126 Ca -0.02 -0.03 -0.16 0.00 -2.23 0.00 0.00 60.65 58.22 3ddr s ILE 126 Cb -0.07 -4.39 0.02 0.00 -1.58 0.00 0.00 42.46 36.44 3ddr s ILE 126 CO 0.01 -0.90 1.22 -0.94 -1.23 0.00 0.00 174.94 173.10 3ddr s SER 127 N 2.63 4.39 0.39 3.58 1.04 -1.26 -3.07 113.70 121.40 3ddr s SER 127 Ca 0.24 2.41 0.10 0.00 0.48 0.00 0.00 55.95 59.17 3ddr s SER 127 Cb -0.15 -2.60 0.78 0.00 0.10 0.00 0.00 66.02 64.15 3ddr s SER 127 CO 0.17 -2.13 1.90 -0.09 0.98 0.00 0.00 173.24 174.07 3ddr h ARG 128 N 0.00 0.19 -0.50 4.02 9.65 -1.93 -2.80 114.38 123.03 3ddr h ARG 128 Ca -0.49 -0.05 -0.10 0.00 -1.10 0.00 0.00 59.98 58.24 3ddr h ARG 128 Cb 1.30 -0.02 -0.02 0.00 -1.39 0.00 0.00 29.97 29.84 3ddr h ARG 128 CO 0.51 0.37 -0.10 0.93 2.80 0.00 0.00 179.97 184.48 3ddr h GLU 129 N 0.18 0.91 -0.44 0.20 5.08 -1.93 -1.51 114.58 117.07 3ddr h GLU 129 Ca 0.04 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3ddr h GLU 129 Cb 0.42 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 3ddr h GLU 129 CO 0.03 0.96 0.16 0.37 -1.00 0.00 0.00 179.01 179.53 3ddr h GLN 130 N 0.82 0.66 0.00 2.33 4.15 -1.87 -0.78 115.11 120.41 3ddr h GLN 130 Ca 0.13 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.43 3ddr h GLN 130 Cb 0.62 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 28.21 3ddr h GLN 130 CO 0.04 0.62 0.00 -1.33 -1.93 0.00 0.00 178.83 176.23 3ddr n MET 131 N -4.60 0.02 -0.04 1.69 2.81 -1.04 -1.62 117.12 114.34 3ddr n MET 131 Ca 0.00 0.31 -0.15 0.00 -1.81 0.00 0.00 57.70 56.06 3ddr n MET 131 Cb 0.16 -1.55 -0.14 0.00 -0.71 0.00 0.00 33.22 30.98 3ddr n MET 131 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 3ddr n ASP 132 N -1.59 1.36 0.06 7.83 8.00 -0.51 -4.05 116.55 127.66 3ddr n ASP 132 Ca 0.03 0.20 -0.14 0.00 0.71 0.00 0.00 54.79 55.58 3ddr n ASP 132 Cb 0.15 -0.25 -0.14 0.00 -0.02 0.00 0.00 41.12 40.86 3ddr n ASP 132 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3ddr h ASN 133 N 0.03 0.30 -2.92 -2.24 2.35 -1.00 -3.38 115.58 108.71 3ddr h ASN 133 Ca -0.42 -0.40 -0.64 0.00 -0.55 0.00 0.00 56.30 54.29 3ddr h ASN 133 Cb 2.04 -0.10 -0.40 0.00 0.05 0.00 0.00 38.32 39.91 3ddr h ASN 133 CO 0.05 1.33 -0.42 -1.14 -1.65 0.00 0.00 177.43 175.60 3ddr n ARG 134 N -3.40 2.28 -1.75 0.81 0.63 -0.64 -4.71 116.66 109.88 3ddr n ARG 134 Ca -0.13 -4.54 -0.42 0.00 -0.92 0.00 0.00 57.85 51.84 3ddr n ARG 134 Cb 1.03 -2.32 -0.01 0.00 0.45 0.00 0.00 32.46 31.61 3ddr n ARG 134 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 3ddr n PRO 135 N 1.73 2.62 -1.85 -0.14 -0.02 -1.26 -4.68 135.00 131.41 3ddr n PRO 135 Ca 0.23 0.93 -0.29 0.00 -2.02 0.00 0.00 63.50 62.35 3ddr n PRO 135 Cb 0.37 -2.68 0.11 0.00 -0.02 0.00 0.00 33.50 31.28 3ddr n PRO 135 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr s ALA 136 N -0.36 2.47 0.00 3.55 0.00 -1.26 -4.99 121.76 121.17 3ddr s ALA 136 Ca 0.61 -0.71 0.00 0.00 0.00 0.00 0.00 51.96 51.85 3ddr s ALA 136 Cb -0.50 -2.94 0.00 0.00 0.00 0.00 0.00 23.12 19.67 3ddr s ALA 136 CO 0.53 -1.88 0.00 2.89 0.00 0.00 0.00 175.76 177.31 3ddr n ARG 137 N -3.45 2.59 -4.87 0.00 1.85 -1.26 -5.03 116.66 106.49 3ddr n ARG 137 Ca 0.09 0.00 -0.25 0.00 -1.00 0.00 0.00 57.85 56.69 3ddr n ARG 137 Cb 0.61 -0.77 -0.15 0.00 -1.05 0.00 0.00 32.46 31.09 3ddr n ARG 137 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 3ddr s HIS 138 N -1.20 1.63 0.25 2.89 2.46 -1.26 -5.04 115.29 115.02 3ddr s HIS 138 Ca 0.00 -0.33 -0.11 0.00 0.47 0.00 0.00 55.06 55.09 3ddr s HIS 138 Cb 0.00 -1.06 0.36 0.00 -0.13 0.00 0.00 32.58 31.75 3ddr s HIS 138 CO 0.00 -0.05 1.59 0.00 -2.47 0.00 0.00 174.74 173.81 3ddr h ALA 139 N 5.77 0.54 -0.42 1.58 0.00 -1.85 0.11 119.26 124.99 3ddr h ALA 139 Ca -0.37 0.32 0.12 0.00 0.00 0.00 0.00 54.91 54.99 3ddr h ALA 139 Cb 1.15 0.64 -0.02 0.00 0.00 0.00 0.00 17.79 19.56 3ddr h ALA 139 CO 0.48 -0.40 0.46 0.00 0.00 0.00 0.00 179.25 179.79 3ddr h ALA 140 N 1.82 2.12 -0.09 0.00 0.00 -1.91 -2.12 119.26 119.09 3ddr h ALA 140 Ca 0.40 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3ddr h ALA 140 Cb 0.61 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 3ddr h ALA 140 CO -0.86 -0.68 0.03 -0.44 0.00 0.00 0.00 179.25 177.30 3ddr h ASP 141 N 0.00 0.10 0.31 0.00 3.32 -1.20 -1.54 116.42 117.42 3ddr h ASP 141 Ca 0.20 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.24 3ddr h ASP 141 Cb 1.12 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.65 3ddr h ASP 141 CO -0.00 0.10 0.00 2.30 -1.72 0.00 0.00 179.24 179.92 3ddr n ILE 142 N -4.49 1.11 1.21 0.35 -5.35 -0.80 -2.67 119.36 108.72 3ddr n ILE 142 Ca -0.02 0.47 0.13 0.00 -0.27 0.00 0.00 62.75 63.06 3ddr n ILE 142 Cb 0.11 -1.41 0.49 0.00 -1.74 0.00 0.00 39.64 37.09 3ddr n ILE 142 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ddr n LEU 143 N -2.04 0.46 0.23 7.28 4.32 -0.58 -4.31 117.00 122.36 3ddr n LEU 143 Ca 0.01 0.06 0.16 0.00 -0.02 0.00 0.00 56.01 56.21 3ddr n LEU 143 Cb 0.11 -0.25 0.66 0.00 -1.62 0.00 0.00 43.42 42.32 3ddr n LEU 143 CO 0.12 0.09 0.95 -0.33 -1.22 0.00 0.00 177.39 177.01 3ddr h GLU 144 N 0.41 0.00 -0.40 3.23 5.08 -1.69 -2.85 114.58 118.36 3ddr h GLU 144 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 3ddr h GLU 144 Cb 0.44 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.60 3ddr h GLU 144 CO 0.00 0.00 0.04 1.04 -1.00 0.00 0.00 179.01 179.09 3ddr n GLN 145 N -2.75 2.40 -4.02 2.33 6.02 -1.26 -4.68 117.38 115.42 3ddr n GLN 145 Ca 0.01 -3.04 -0.29 0.00 -0.01 0.00 0.00 57.00 53.67 3ddr n GLN 145 Cb 0.25 -1.89 -0.17 0.00 1.02 0.00 0.00 30.24 29.46 3ddr n GLN 145 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 3ddr s THR 146 N -3.09 1.40 0.26 5.09 2.01 -1.08 -4.91 115.64 115.33 3ddr s THR 146 Ca 0.46 -0.53 -0.30 0.00 0.31 0.00 0.00 61.69 61.63 3ddr s THR 146 Cb 0.39 -1.33 -0.10 0.00 0.01 0.00 0.00 72.50 71.47 3ddr s THR 146 CO 0.05 0.43 1.49 0.42 -0.69 0.00 0.00 174.62 176.32 3ddr s THR 147 N 1.52 2.47 0.00 -0.82 -4.23 -1.26 -2.04 115.64 111.27 3ddr s THR 147 Ca 0.04 0.40 0.00 0.00 -1.18 0.00 0.00 61.69 60.95 3ddr s THR 147 Cb -0.13 -3.25 0.00 0.00 1.34 0.00 0.00 72.50 70.46 3ddr s THR 147 CO -0.09 0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.66 3ddr n GLY 148 N 2.23 1.37 3.74 3.99 0.00 -1.26 -5.02 105.19 110.25 3ddr n GLY 148 Ca 0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.74 3ddr n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddr s ALA 149 N -2.62 3.62 0.21 4.61 0.00 -0.87 -0.23 121.76 126.47 3ddr s ALA 149 Ca 0.00 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.13 3ddr s ALA 149 Cb 0.00 -1.94 0.00 0.00 0.00 0.00 0.00 23.12 21.18 3ddr s ALA 149 CO 0.00 0.37 0.42 0.71 0.00 0.00 0.00 175.76 177.26 3ddr s TYR 150 N -0.26 0.27 -0.06 0.00 1.51 0.11 -4.87 117.35 114.05 3ddr s TYR 150 Ca 0.10 -0.63 -0.02 0.00 -1.01 0.00 0.00 57.07 55.50 3ddr s TYR 150 Cb -0.12 0.14 0.04 0.00 -0.11 0.00 0.00 41.96 41.91 3ddr s TYR 150 CO 0.01 -0.88 0.12 0.45 -1.11 0.00 0.00 175.55 174.15 3ddr s SER 151 N -2.97 0.30 -0.90 2.29 0.15 -1.26 0.31 113.70 111.63 3ddr s SER 151 Ca 0.18 0.25 -0.22 0.00 0.70 0.00 0.00 55.95 56.86 3ddr s SER 151 Cb 0.01 0.15 -0.13 0.00 -1.71 0.00 0.00 66.02 64.33 3ddr s SER 151 CO 0.03 -0.19 1.94 -1.20 1.20 0.00 0.00 173.24 175.03 3ddr n SER 152 N 4.66 2.76 -4.88 5.45 7.64 -1.26 -4.15 113.62 123.84 3ddr n SER 152 Ca -0.18 -2.70 -0.34 0.00 1.01 0.00 0.00 58.87 56.66 3ddr n SER 152 Cb 0.51 -1.27 -0.05 0.00 -1.01 0.00 0.00 64.21 62.38 3ddr n SER 152 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 3ddr s VAL 153 N 5.88 5.36 -0.11 0.44 0.11 -1.26 -4.45 120.40 126.37 3ddr s VAL 153 Ca 0.59 -0.08 0.01 0.00 -2.93 0.00 0.00 61.98 59.58 3ddr s VAL 153 Cb 0.12 -3.44 0.02 0.00 -1.53 0.00 0.00 36.38 31.54 3ddr s VAL 153 CO 0.11 0.42 -0.15 -0.55 -3.33 0.00 0.00 175.10 171.60 3ddr s SER 154 N -1.62 2.46 0.00 3.54 0.15 -1.26 -1.59 113.70 115.38 3ddr s SER 154 Ca 0.23 -0.43 0.05 0.00 0.70 0.00 0.00 55.95 56.49 3ddr s SER 154 Cb -0.12 -1.10 0.27 0.00 -1.71 0.00 0.00 66.02 63.36 3ddr s SER 154 CO 0.13 0.00 0.88 0.00 1.20 0.00 0.00 173.24 175.46 3ddr n GLN 155 N 4.28 0.11 -0.01 5.44 1.13 -1.26 -1.68 117.38 125.40 3ddr n GLN 155 Ca -0.19 0.13 0.10 0.00 -1.94 0.00 0.00 57.00 55.10 3ddr n GLN 155 Cb 0.51 -1.50 -0.15 0.00 0.11 0.00 0.00 30.24 29.21 3ddr n GLN 155 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3ddr n GLN 156 N -1.15 0.44 -3.86 -1.09 6.02 -1.26 -4.41 117.38 112.07 3ddr n GLN 156 Ca 0.03 -0.12 -0.36 0.00 -0.01 0.00 0.00 57.00 56.54 3ddr n GLN 156 Cb 0.03 -1.50 -0.13 0.00 1.02 0.00 0.00 30.24 29.65 3ddr n GLN 156 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 3ddr s ASP 157 N -3.91 4.82 0.00 1.08 -1.08 -0.68 -4.73 116.67 112.18 3ddr s ASP 157 Ca -0.02 -0.93 0.11 0.00 -0.52 0.00 0.00 52.55 51.20 3ddr s ASP 157 Cb 0.15 -1.77 0.51 0.00 -1.46 0.00 0.00 42.92 40.34 3ddr s ASP 157 CO 0.88 -0.20 1.34 -2.65 0.52 0.00 0.00 175.17 175.06 3ddr n PRO 158 N 4.74 0.04 -1.07 4.34 -0.02 -1.26 -4.62 135.00 137.15 3ddr n PRO 158 Ca -0.15 0.27 -0.34 0.00 -2.02 0.00 0.00 63.50 61.27 3ddr n PRO 158 Cb 0.46 -1.50 0.12 0.00 -0.02 0.00 0.00 33.50 32.56 3ddr n PRO 158 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr n ALA 159 N -1.44 -0.79 -4.02 3.55 0.00 -1.26 -4.63 120.51 111.91 3ddr n ALA 159 Ca 0.03 -0.37 -0.32 0.00 0.00 0.00 0.00 53.44 52.79 3ddr n ALA 159 Cb 0.12 -2.09 -0.16 0.00 0.00 0.00 0.00 19.45 17.32 3ddr n ALA 159 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3ddr s LEU 160 N -3.78 2.04 -0.12 0.00 2.96 -0.73 -4.84 118.68 114.20 3ddr s LEU 160 Ca 0.69 -0.61 -0.02 0.00 -0.22 0.00 0.00 54.13 53.97 3ddr s LEU 160 Cb -0.29 -1.41 -0.03 0.00 0.50 0.00 0.00 46.19 44.97 3ddr s LEU 160 CO 0.55 0.00 -0.07 -0.55 -1.32 0.00 0.00 176.35 174.97 3ddr s SER 161 N 1.25 4.59 -0.26 3.68 0.15 -1.26 -1.95 113.70 119.90 3ddr s SER 161 Ca 0.03 -0.14 -0.09 0.00 0.70 0.00 0.00 55.95 56.45 3ddr s SER 161 Cb -0.13 -1.57 -0.04 0.00 -1.71 0.00 0.00 66.02 62.57 3ddr s SER 161 CO -0.11 0.23 0.13 -0.69 1.20 0.00 0.00 173.24 174.00 3ddr s VAL 162 N 0.01 4.86 -0.20 4.45 1.01 -1.26 -4.45 120.40 124.82 3ddr s VAL 162 Ca -0.01 0.02 -0.05 0.00 0.00 0.00 0.00 61.98 61.93 3ddr s VAL 162 Cb -0.14 -3.29 -0.03 0.00 0.00 0.00 0.00 36.38 32.92 3ddr s VAL 162 CO 0.03 0.30 0.01 0.21 0.00 0.00 0.00 175.10 175.65 3ddr s ASN 163 N 1.61 4.97 -0.42 3.32 3.84 0.15 -4.70 114.94 123.72 3ddr s ASN 163 Ca 0.07 -0.16 -0.04 0.00 0.21 0.00 0.00 52.86 52.94 3ddr s ASN 163 Cb -0.15 -1.85 0.11 0.00 -0.55 0.00 0.00 41.25 38.81 3ddr s ASN 163 CO 0.07 0.08 0.22 -0.63 -2.79 0.00 0.00 177.10 174.05 3ddr s ILE 164 N 0.92 3.38 -0.67 -5.21 1.01 -0.73 0.08 121.20 119.97 3ddr s ILE 164 Ca 0.02 -2.03 0.00 0.00 0.00 0.00 0.00 60.65 58.63 3ddr s ILE 164 Cb -0.14 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.02 3ddr s ILE 164 CO 0.02 -0.70 0.00 0.54 0.00 0.00 0.00 174.94 174.80 3ddr n ARG 165 N 4.63 -0.53 0.00 2.79 1.74 0.68 -2.88 116.66 123.08 3ddr n ARG 165 Ca -0.03 0.53 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 3ddr n ARG 165 Cb 0.41 -4.38 0.00 0.00 -1.02 0.00 0.00 32.46 27.47 3ddr n ARG 165 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ddr n GLY 166 N -1.51 0.85 3.78 -0.13 0.00 -1.26 -4.73 105.19 102.19 3ddr n GLY 166 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3ddr n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddr s ILE 167 N -2.22 4.94 0.00 -0.61 1.01 -1.14 -4.78 121.20 118.39 3ddr s ILE 167 Ca 0.00 1.12 0.00 0.00 0.00 0.00 0.00 60.65 61.77 3ddr s ILE 167 Cb 0.00 -3.86 0.00 0.00 0.01 0.00 0.00 42.46 38.61 3ddr s ILE 167 CO 0.00 0.47 0.00 0.00 0.00 0.00 0.00 174.94 175.41 3ddr n GLN 168 N 2.48 1.23 -4.18 2.79 10.64 -1.26 -1.78 117.38 127.30 3ddr n GLN 168 Ca -0.09 0.00 -0.24 0.00 -1.83 0.00 0.00 57.00 54.84 3ddr n GLN 168 Cb 0.51 -0.10 -0.07 0.00 -0.86 0.00 0.00 30.24 29.72 3ddr n GLN 168 CO 0.00 0.00 0.00 -0.51 -1.83 0.00 0.00 177.06 174.72 3ddr s ASP 169 N 0.00 4.46 -1.47 2.61 1.01 -1.26 -4.72 116.67 117.30 3ddr s ASP 169 Ca 0.00 -0.91 -0.02 0.00 0.71 0.00 0.00 52.55 52.32 3ddr s ASP 169 Cb 0.00 -0.61 0.02 0.00 1.01 0.00 0.00 42.92 43.34 3ddr s ASP 169 CO 0.00 -0.34 0.39 -1.22 0.21 0.00 0.00 175.17 174.21 3ddr n TYR 170 N -1.11 -1.58 -1.05 4.23 4.01 -0.22 -0.19 117.16 121.25 3ddr n TYR 170 Ca -0.03 0.73 -0.02 0.00 -0.16 0.00 0.00 57.90 58.42 3ddr n TYR 170 Cb 0.62 -3.46 -0.01 0.00 -0.31 0.00 0.00 39.34 36.19 3ddr n TYR 170 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3ddr n GLY 171 N -2.02 0.44 0.32 2.72 0.00 -1.26 -4.86 105.19 100.54 3ddr n GLY 171 Ca -0.26 -0.13 -0.03 0.00 0.00 0.00 0.00 46.02 45.60 3ddr n GLY 171 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3ddr h ARG 172 N 0.48 0.95 -4.73 1.61 3.08 -0.64 -3.33 114.38 111.80 3ddr h ARG 172 Ca -0.03 -0.15 -0.69 0.00 0.07 0.00 0.00 59.98 59.18 3ddr h ARG 172 Cb 0.43 -0.17 -0.25 0.00 0.08 0.00 0.00 29.97 30.05 3ddr h ARG 172 CO 0.05 0.77 -0.58 0.08 -1.07 0.00 0.00 179.97 179.22 3ddr s VAL 173 N -5.45 4.20 -0.77 2.04 1.01 -1.26 -0.53 120.40 119.63 3ddr s VAL 173 Ca -0.11 -0.75 -0.25 0.00 0.00 0.00 0.00 61.98 60.87 3ddr s VAL 173 Cb 0.16 -3.24 -0.06 0.00 0.00 0.00 0.00 36.38 33.24 3ddr s VAL 173 CO 0.80 -0.04 2.04 0.21 0.00 0.00 0.00 175.10 178.12 3ddr s ASN 174 N 1.52 4.90 -0.03 3.32 3.84 -0.64 -4.88 114.94 122.96 3ddr s ASN 174 Ca 0.02 -0.14 -0.29 0.00 0.21 0.00 0.00 52.86 52.66 3ddr s ASN 174 Cb -0.18 -2.55 -0.03 0.00 -0.55 0.00 0.00 41.25 37.95 3ddr s ASN 174 CO 0.04 -2.86 0.97 -0.04 -2.79 0.00 0.00 177.10 172.42 3ddr s MET 175 N 7.45 4.51 0.01 0.43 -1.94 -1.26 -1.03 119.30 127.47 3ddr s MET 175 Ca 0.75 1.37 -0.17 0.00 -1.71 0.00 0.00 55.69 55.94 3ddr s MET 175 Cb -0.10 -3.48 0.03 0.00 2.01 0.00 0.00 34.83 33.29 3ddr s MET 175 CO 0.08 -0.11 0.36 0.54 -0.01 0.00 0.00 175.02 175.88 3ddr s ASN 176 N 1.02 -0.23 -0.25 3.03 2.20 -0.99 -0.85 114.94 118.88 3ddr s ASN 176 Ca 0.50 0.04 -0.04 0.00 -0.94 0.00 0.00 52.86 52.42 3ddr s ASN 176 Cb -0.20 0.37 0.01 0.00 -2.00 0.00 0.00 41.25 39.42 3ddr s ASN 176 CO 0.25 -0.55 -0.02 -0.63 -2.94 0.00 0.00 177.10 173.21 3ddr s ILE 177 N -1.90 3.36 -1.47 0.54 1.01 -0.49 -0.16 121.20 122.09 3ddr s ILE 177 Ca -0.09 -0.73 -0.12 0.00 0.00 0.00 0.00 60.65 59.71 3ddr s ILE 177 Cb -0.03 -2.65 0.07 0.00 0.01 0.00 0.00 42.46 39.87 3ddr s ILE 177 CO 0.01 0.25 0.80 0.47 0.00 0.00 0.00 174.94 176.47 3ddr n ASP 178 N 4.77 -4.71 0.00 3.58 8.00 -0.13 -0.59 116.55 127.47 3ddr n ASP 178 Ca -0.17 -0.61 0.00 0.00 0.71 0.00 0.00 54.79 54.73 3ddr n ASP 178 Cb 0.49 -3.80 0.00 0.00 -0.02 0.00 0.00 41.12 37.79 3ddr n ASP 178 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 179 N -1.53 2.30 3.63 0.44 0.00 -1.26 -5.02 105.19 103.76 3ddr n GLY 179 Ca 0.01 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.61 3ddr n GLY 179 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3ddr s MET 180 N -0.45 4.08 -0.03 1.61 -1.94 0.24 -4.98 119.30 117.83 3ddr s MET 180 Ca 0.00 0.87 -0.30 0.00 -1.71 0.00 0.00 55.69 54.55 3ddr s MET 180 Cb 0.00 -3.69 -0.06 0.00 2.01 0.00 0.00 34.83 33.09 3ddr s MET 180 CO 0.00 -0.66 1.63 1.03 -0.01 0.00 0.00 175.02 177.01 3ddr s ARG 181 N 3.07 4.19 -0.48 2.03 0.52 -1.26 -1.39 118.95 125.63 3ddr s ARG 181 Ca 0.37 2.19 -0.24 0.00 -0.52 0.00 0.00 55.73 57.53 3ddr s ARG 181 Cb -0.14 -3.89 0.03 0.00 0.52 0.00 0.00 34.95 31.47 3ddr s ARG 181 CO 0.11 -0.80 0.84 -0.65 0.02 0.00 0.00 175.30 174.81 3ddr s GLN 182 N 3.67 3.39 0.00 3.54 -1.52 -0.03 -4.90 119.66 123.82 3ddr s GLN 182 Ca 0.73 -0.14 0.00 0.00 -1.95 0.00 0.00 55.36 53.99 3ddr s GLN 182 Cb -0.34 -3.97 0.00 0.00 -0.22 0.00 0.00 33.01 28.47 3ddr s GLN 182 CO 0.30 -1.24 0.85 0.09 -0.25 0.00 0.00 175.29 175.04 3ddr n ASN 183 N 6.95 1.67 -4.76 5.90 3.02 -1.26 -4.54 115.26 122.24 3ddr n ASN 183 Ca 0.02 -1.72 -0.41 0.00 -0.03 0.00 0.00 54.58 52.45 3ddr n ASN 183 Cb 0.48 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.63 3ddr n ASN 183 CO 0.00 0.00 0.00 0.12 -2.62 0.00 0.00 177.26 174.76 3ddr s PHE 184 N -0.72 2.87 0.00 3.10 5.36 -1.25 -4.86 117.98 122.49 3ddr s PHE 184 Ca 0.00 1.12 -0.01 0.00 -0.96 0.00 0.00 56.93 57.08 3ddr s PHE 184 Cb 0.00 -3.88 -0.01 0.00 -0.34 0.00 0.00 43.02 38.80 3ddr s PHE 184 CO 0.00 -2.70 0.02 -1.14 -1.46 0.00 0.00 175.22 169.93 3ddr s GLN 185 N -1.18 0.18 -0.19 10.12 -0.44 -1.26 -0.48 119.66 126.41 3ddr s GLN 185 Ca 0.56 -0.25 -0.04 0.00 -2.50 0.00 0.00 55.36 53.13 3ddr s GLN 185 Cb -0.43 0.07 0.09 0.00 -1.64 0.00 0.00 33.01 31.10 3ddr s GLN 185 CO 0.51 -0.03 0.24 0.21 0.50 0.00 0.00 175.29 176.73 3ddr s LYS 186 N -0.67 0.19 0.41 1.67 2.20 -1.26 -4.93 119.74 117.35 3ddr s LYS 186 Ca -0.07 0.36 -0.26 0.00 -0.36 0.00 0.00 55.97 55.63 3ddr s LYS 186 Cb -0.05 -0.87 -0.10 0.00 -1.51 0.00 0.00 37.83 35.30 3ddr s LYS 186 CO -0.00 -0.57 1.26 0.43 -0.36 0.00 0.00 175.35 176.10 3ddr n SER 187 N 5.33 2.51 0.00 1.43 7.64 -1.26 -4.89 113.62 124.38 3ddr n SER 187 Ca -0.05 1.12 0.00 0.00 1.01 0.00 0.00 58.87 60.95 3ddr n SER 187 Cb 0.50 -1.49 0.00 0.00 -1.01 0.00 0.00 64.21 62.21 3ddr n SER 187 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3ddr n GLY 188 N 0.83 3.55 0.73 0.23 0.00 -1.26 -4.99 105.19 104.28 3ddr n GLY 188 Ca 0.06 -0.10 0.02 0.00 0.00 0.00 0.00 46.02 46.01 3ddr n GLY 188 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3ddr n HIS 189 N 0.00 0.48 -0.77 1.61 8.25 -1.26 -4.88 115.22 118.65 3ddr n HIS 189 Ca 0.00 -0.18 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 3ddr n HIS 189 Cb 0.00 -0.15 0.00 0.00 1.12 0.00 0.00 29.99 30.96 3ddr n HIS 189 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3ddr n GLY 190 N 0.36 1.24 0.18 -1.41 0.00 -1.26 -4.74 105.19 99.56 3ddr n GLY 190 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.00 3ddr n GLY 190 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3ddr h GLN 191 N 2.55 -0.14 -2.67 1.61 7.50 -1.89 -3.33 115.11 118.74 3ddr h GLN 191 Ca 0.00 0.01 -0.42 0.00 0.50 0.00 0.00 58.65 58.74 3ddr h GLN 191 Cb 0.00 0.03 -0.38 0.00 0.05 0.00 0.00 27.48 27.18 3ddr h GLN 191 CO 0.00 -0.09 -0.71 -0.98 -1.50 0.00 0.00 178.83 175.55 3ddr s ARG 192 N -6.16 0.18 -0.75 1.46 1.70 -1.26 -4.17 118.95 109.95 3ddr s ARG 192 Ca -0.14 -0.17 -0.19 0.00 -0.47 0.00 0.00 55.73 54.76 3ddr s ARG 192 Cb 0.10 -1.24 0.12 0.00 -0.57 0.00 0.00 34.95 33.37 3ddr s ARG 192 CO 0.68 -0.85 0.91 -0.80 -1.08 0.00 0.00 175.30 174.16 3ddr s ASN 193 N 2.22 6.42 0.00 -2.89 0.01 -1.26 -4.72 114.94 114.71 3ddr s ASN 193 Ca 0.07 -1.74 0.00 0.00 -0.71 0.00 0.00 52.86 50.48 3ddr s ASN 193 Cb -0.16 -2.34 0.00 0.00 0.41 0.00 0.00 41.25 39.16 3ddr s ASN 193 CO -0.23 -1.08 0.00 0.61 -1.51 0.00 0.00 177.10 174.89 3ddr n GLY 194 N 5.19 2.56 3.18 0.66 0.00 -1.26 -1.05 105.19 114.47 3ddr n GLY 194 Ca 0.06 -0.64 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 3ddr n GLY 194 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 195 N 0.00 0.07 0.21 2.61 -4.23 0.37 -4.51 115.64 110.16 3ddr s THR 195 Ca 0.00 -1.88 -0.10 0.00 -1.18 0.00 0.00 61.69 58.52 3ddr s THR 195 Cb 0.00 -2.15 -0.01 0.00 1.34 0.00 0.00 72.50 71.68 3ddr s THR 195 CO 0.00 -0.32 0.36 0.00 -0.54 0.00 0.00 174.62 174.12 3ddr s MET 196 N -4.07 1.35 -0.08 3.99 0.23 -0.82 -3.92 119.30 115.97 3ddr s MET 196 Ca 0.27 -1.26 0.02 0.00 -1.03 0.00 0.00 55.69 53.69 3ddr s MET 196 Cb 0.07 0.41 0.02 0.00 -1.53 0.00 0.00 34.83 33.80 3ddr s MET 196 CO 0.04 -0.53 -0.12 0.71 -2.03 0.00 0.00 175.02 173.10 3ddr s TYR 197 N -4.01 1.58 -0.08 3.16 2.02 -1.26 -1.77 117.35 116.98 3ddr s TYR 197 Ca 0.22 -0.66 -0.13 0.00 -0.37 0.00 0.00 57.07 56.13 3ddr s TYR 197 Cb 0.02 -1.18 0.03 0.00 -0.40 0.00 0.00 41.96 40.43 3ddr s TYR 197 CO 0.06 -0.37 0.33 -1.50 -1.57 0.00 0.00 175.55 172.50 3ddr s ILE 198 N 0.93 0.03 -0.73 2.71 1.10 -1.26 -4.92 121.20 119.05 3ddr s ILE 198 Ca -0.09 -0.21 0.22 0.00 -0.51 0.00 0.00 60.65 60.06 3ddr s ILE 198 Cb -0.15 -0.55 -0.17 0.00 0.15 0.00 0.00 42.46 41.74 3ddr s ILE 198 CO 0.00 -0.12 0.95 -0.67 -2.11 0.00 0.00 174.94 173.00 3ddr n ASP 199 N 2.16 0.67 0.00 4.50 -0.08 -1.26 -4.74 116.55 117.80 3ddr n ASP 199 Ca -0.17 -0.49 0.00 0.00 -1.51 0.00 0.00 54.79 52.62 3ddr n ASP 199 Cb 0.57 0.96 0.00 0.00 2.34 0.00 0.00 41.12 44.99 3ddr n ASP 199 CO 0.00 0.00 0.00 -0.24 0.12 0.00 0.00 177.20 177.08 3ddr n SER 200 N -1.77 0.00 0.26 1.67 2.88 -1.26 -4.57 113.62 110.83 3ddr n SER 200 Ca 0.02 0.00 0.16 0.00 -1.33 0.00 0.00 58.87 57.72 3ddr n SER 200 Cb 0.40 0.00 0.54 0.00 -0.75 0.00 0.00 64.21 64.40 3ddr n SER 200 CO 0.00 0.00 0.00 -0.08 -1.23 0.00 0.00 175.04 173.73 3ddr h GLU 201 N 0.00 0.00 -0.23 -1.46 4.57 -1.98 -2.99 114.58 112.49 3ddr h GLU 201 Ca 0.00 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.09 3ddr h GLU 201 Cb 0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.53 3ddr h GLU 201 CO 0.00 0.01 -0.14 1.28 -1.18 0.00 0.00 179.01 178.99 3ddr n LEU 202 N -3.11 3.61 -4.63 1.64 4.77 -1.26 -4.97 117.00 113.05 3ddr n LEU 202 Ca 0.01 -3.59 -0.34 0.00 -0.03 0.00 0.00 56.01 52.06 3ddr n LEU 202 Cb 0.37 -0.58 -0.10 0.00 -2.33 0.00 0.00 43.42 40.79 3ddr n LEU 202 CO 0.29 1.12 -0.27 -0.76 -1.33 0.00 0.00 177.39 176.45 3ddr s LEU 203 N -3.13 3.72 0.25 2.23 1.43 -1.13 -1.56 118.68 120.48 3ddr s LEU 203 Ca 0.41 0.07 0.07 0.00 -1.03 0.00 0.00 54.13 53.66 3ddr s LEU 203 Cb 0.37 -1.92 0.28 0.00 0.03 0.00 0.00 46.19 44.95 3ddr s LEU 203 CO 0.00 0.21 1.57 0.77 0.23 0.00 0.00 176.35 179.13 3ddr h SER 204 N 6.44 0.14 0.00 2.29 4.64 -0.40 -3.43 113.55 123.24 3ddr h SER 204 Ca -0.38 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3ddr h SER 204 Cb 1.18 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 3ddr h SER 204 CO 0.67 0.74 0.00 0.61 -0.87 0.00 0.00 176.83 177.98 3ddr n GLY 205 N 0.31 1.00 3.06 -0.77 0.00 -1.19 -4.25 105.19 103.35 3ddr n GLY 205 Ca -0.02 -1.18 -0.24 0.00 0.00 0.00 0.00 46.02 44.58 3ddr n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddr s VAL 206 N -2.00 1.15 -0.18 1.61 1.01 -1.17 -1.52 120.40 119.30 3ddr s VAL 206 Ca 0.00 -0.54 -0.01 0.00 0.00 0.00 0.00 61.98 61.44 3ddr s VAL 206 Cb 0.00 -1.01 0.00 0.00 0.00 0.00 0.00 36.38 35.37 3ddr s VAL 206 CO 0.00 0.35 -0.14 0.42 0.00 0.00 0.00 175.10 175.73 3ddr s THR 207 N 0.28 2.67 -0.66 3.92 -4.23 -0.70 0.01 115.64 116.92 3ddr s THR 207 Ca -0.07 -0.75 -0.10 0.00 -1.18 0.00 0.00 61.69 59.59 3ddr s THR 207 Cb -0.12 -2.15 0.17 0.00 1.34 0.00 0.00 72.50 71.74 3ddr s THR 207 CO 0.02 0.50 0.56 -0.63 -0.54 0.00 0.00 174.62 174.53 3ddr s ILE 208 N 1.13 4.80 -0.82 2.99 1.01 -0.28 -1.17 121.20 128.86 3ddr s ILE 208 Ca 0.01 -2.32 -0.25 0.00 0.00 0.00 0.00 60.65 58.09 3ddr s ILE 208 Cb -0.14 -4.05 0.04 0.00 0.01 0.00 0.00 42.46 38.32 3ddr s ILE 208 CO -0.05 -0.92 1.29 -0.62 0.00 0.00 0.00 174.94 174.65 3ddr s ASP 209 N 2.10 6.27 0.47 3.58 -1.08 0.12 -3.07 116.67 125.07 3ddr s ASP 209 Ca 0.13 -0.83 -0.15 0.00 -0.52 0.00 0.00 52.55 51.18 3ddr s ASP 209 Cb -0.19 -2.54 -0.08 0.00 -1.46 0.00 0.00 42.92 38.65 3ddr s ASP 209 CO -0.04 -1.69 0.91 -0.54 0.52 0.00 0.00 175.17 174.33 3ddr s LYS 210 N 5.28 3.91 0.00 4.34 1.02 -0.71 -0.29 119.74 133.28 3ddr s LYS 210 Ca 0.37 0.81 0.00 0.00 0.02 0.00 0.00 55.97 57.16 3ddr s LYS 210 Cb -0.06 -2.22 0.00 0.00 -0.52 0.00 0.00 37.83 35.02 3ddr s LYS 210 CO 0.07 -0.18 0.00 0.41 -0.92 0.00 0.00 175.35 174.73 3ddr n GLY 211 N -1.43 -1.64 3.65 -3.33 0.00 -1.04 -4.51 105.19 96.90 3ddr n GLY 211 Ca 0.05 -2.06 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 3ddr n GLY 211 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 212 N 0.00 4.32 0.24 2.61 -4.23 -1.26 -1.98 115.64 115.34 3ddr s THR 212 Ca 0.00 -0.23 0.03 0.00 -1.18 0.00 0.00 61.69 60.30 3ddr s THR 212 Cb 0.00 -2.84 -0.05 0.00 1.34 0.00 0.00 72.50 70.95 3ddr s THR 212 CO 0.00 0.58 0.03 0.42 -0.54 0.00 0.00 174.62 175.11 3ddr s THR 213 N -0.58 0.88 0.50 3.99 -4.23 -1.26 -4.91 115.64 110.03 3ddr s THR 213 Ca 0.10 -2.01 0.03 0.00 -1.18 0.00 0.00 61.69 58.62 3ddr s THR 213 Cb -0.12 -2.46 -0.01 0.00 1.34 0.00 0.00 72.50 71.25 3ddr s THR 213 CO 0.02 -0.21 0.08 -0.83 -0.54 0.00 0.00 174.62 173.14 3ddr s GLY 214 N -3.32 2.84 0.22 3.99 0.00 -1.26 -4.79 107.32 105.01 3ddr s GLY 214 Ca 0.32 -0.80 0.00 0.00 0.00 0.00 0.00 44.72 44.24 3ddr s GLY 214 CO 0.10 -2.13 0.00 0.61 0.00 0.00 0.00 173.10 171.68 3ddr n GLY 215 N -1.31 -1.83 3.64 0.20 0.00 -1.26 -4.65 105.19 99.97 3ddr n GLY 215 Ca -0.14 -1.20 -0.57 0.00 0.00 0.00 0.00 46.02 44.11 3ddr n GLY 215 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 3ddr n MET 216 N -3.29 0.83 0.00 1.61 0.00 -1.26 -2.26 117.12 112.76 3ddr n MET 216 Ca 0.01 0.30 0.00 0.00 -0.00 0.00 0.00 57.70 58.01 3ddr n MET 216 Cb 0.44 -1.92 0.00 0.00 0.00 0.00 0.00 33.22 31.74 3ddr n MET 216 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3ddr n GLY 217 N 3.15 0.75 0.06 -5.12 0.00 -1.26 -4.99 105.19 97.79 3ddr n GLY 217 Ca 0.23 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.31 3ddr n GLY 217 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3ddr n SER 218 N 0.00 0.37 0.00 1.61 7.64 -0.96 -4.85 113.62 117.43 3ddr n SER 218 Ca 0.00 0.15 0.00 0.00 1.01 0.00 0.00 58.87 60.03 3ddr n SER 218 Cb 0.00 1.13 0.00 0.00 -1.01 0.00 0.00 64.21 64.33 3ddr n SER 218 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3ddr n ALA 219 N -2.34 -0.16 -0.74 -0.43 0.00 -1.26 -2.54 120.51 113.04 3ddr n ALA 219 Ca -0.08 0.00 -0.08 0.00 0.00 0.00 0.00 53.44 53.28 3ddr n ALA 219 Cb 0.70 0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.45 3ddr n ALA 219 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3ddr n GLY 220 N -0.99 3.14 3.26 0.00 0.00 -1.26 -4.74 105.19 104.61 3ddr n GLY 220 Ca 0.00 -0.59 -0.28 0.00 0.00 0.00 0.00 46.02 45.14 3ddr n GLY 220 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ddr s THR 221 N -0.66 1.81 0.00 2.61 2.01 -1.05 -3.63 115.64 116.74 3ddr s THR 221 Ca 0.21 -1.03 0.00 0.00 0.31 0.00 0.00 61.69 61.18 3ddr s THR 221 Cb 0.14 -1.52 0.00 0.00 0.01 0.00 0.00 72.50 71.13 3ddr s THR 221 CO -0.02 0.46 0.00 0.18 -0.69 0.00 0.00 174.62 174.56 3ddr n LEU 222 N 2.39 1.28 -0.00 4.42 4.32 0.31 -4.30 117.00 125.40 3ddr n LEU 222 Ca -0.16 0.00 0.03 0.00 -0.02 0.00 0.00 56.01 55.86 3ddr n LEU 222 Cb 0.52 0.00 -0.04 0.00 -1.62 0.00 0.00 43.42 42.28 3ddr n LEU 222 CO 0.23 0.21 -0.02 0.61 -1.22 0.00 0.00 177.39 177.21 3ddr n GLY 223 N 2.38 0.35 0.00 -0.72 0.00 -0.96 -4.39 105.19 101.84 3ddr n GLY 223 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 3ddr n GLY 223 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 224 N 1.16 0.91 2.98 -0.02 0.00 -0.84 -2.49 105.19 106.89 3ddr n GLY 224 Ca 0.01 -1.88 -0.23 0.00 0.00 0.00 0.00 46.02 43.92 3ddr n GLY 224 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3ddr s ILE 225 N -2.13 0.93 -0.43 -0.61 1.01 0.60 -1.63 121.20 118.93 3ddr s ILE 225 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.30 3ddr s ILE 225 Cb 0.00 -0.87 0.12 0.00 0.01 0.00 0.00 42.46 41.72 3ddr s ILE 225 CO 0.00 0.31 0.18 0.00 0.00 0.00 0.00 174.94 175.43 3ddr s ALA 226 N 0.70 3.14 -0.16 9.38 0.00 -0.20 0.14 121.76 134.77 3ddr s ALA 226 Ca -0.13 -2.79 -0.19 0.00 0.00 0.00 0.00 51.96 48.85 3ddr s ALA 226 Cb -0.15 -2.21 -0.04 0.00 0.00 0.00 0.00 23.12 20.72 3ddr s ALA 226 CO 0.02 -1.84 0.53 0.99 0.00 0.00 0.00 175.76 175.46 3ddr s THR 227 N 0.58 5.13 -0.28 0.00 2.01 -0.32 -2.34 115.64 120.42 3ddr s THR 227 Ca 0.12 1.01 -0.08 0.00 0.31 0.00 0.00 61.69 63.06 3ddr s THR 227 Cb -0.22 -3.86 -0.02 0.00 0.01 0.00 0.00 72.50 68.42 3ddr s THR 227 CO -0.05 0.24 0.10 -0.36 -0.69 0.00 0.00 174.62 173.86 3ddr s PHE 228 N 1.19 3.13 -0.23 4.92 0.40 0.77 -1.72 117.98 126.44 3ddr s PHE 228 Ca 0.26 -0.53 -0.08 0.00 -0.60 0.00 0.00 56.93 55.99 3ddr s PHE 228 Cb -0.15 -2.28 -0.04 0.00 0.51 0.00 0.00 43.02 41.05 3ddr s PHE 228 CO 0.11 -0.41 0.09 -0.80 0.70 0.00 0.00 175.22 174.91 3ddr s ASN 229 N 1.60 5.53 0.16 1.36 0.01 -0.57 -0.95 114.94 122.08 3ddr s ASN 229 Ca 0.05 -0.05 -0.21 0.00 -0.71 0.00 0.00 52.86 51.95 3ddr s ASN 229 Cb -0.16 -1.98 -0.08 0.00 0.41 0.00 0.00 41.25 39.44 3ddr s ASN 229 CO 0.05 0.05 0.69 0.42 -1.51 0.00 0.00 177.10 176.79 3ddr s THR 230 N 1.15 4.58 0.07 1.60 -4.23 -1.26 0.28 115.64 117.82 3ddr s THR 230 Ca 0.05 1.35 -0.22 0.00 -1.18 0.00 0.00 61.69 61.69 3ddr s THR 230 Cb -0.14 -3.94 -0.12 0.00 1.34 0.00 0.00 72.50 69.64 3ddr s THR 230 CO 0.04 0.39 0.51 0.52 -0.54 0.00 0.00 174.62 175.54 3ddr n VAL 231 N 1.23 0.67 -4.43 2.29 0.31 -0.60 -4.47 118.33 113.32 3ddr n VAL 231 Ca -0.06 -0.17 -0.22 0.00 -0.01 0.00 0.00 64.34 63.89 3ddr n VAL 231 Cb 0.50 0.00 -0.10 0.00 -0.91 0.00 0.00 33.84 33.33 3ddr n VAL 231 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 3ddr s SER 232 N -0.33 3.06 0.55 4.52 0.01 -1.26 -4.96 113.70 115.29 3ddr s SER 232 Ca 0.50 -1.10 0.22 0.00 1.31 0.00 0.00 55.95 56.88 3ddr s SER 232 Cb -0.72 -0.22 1.51 0.00 0.21 0.00 0.00 66.02 66.80 3ddr s SER 232 CO 0.37 -0.18 2.19 0.00 0.41 0.00 0.00 173.24 176.03 3ddr h ALA 233 N 2.32 1.75 0.00 1.44 0.00 -1.94 -2.61 119.26 120.22 3ddr h ALA 233 Ca -0.40 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.50 3ddr h ALA 233 Cb 1.24 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 3ddr h ALA 233 CO 0.64 0.02 0.00 0.66 0.00 0.00 0.00 179.25 180.57 3ddr h SER 234 N 0.00 0.00 0.49 0.00 4.64 -1.96 -2.68 113.55 114.04 3ddr h SER 234 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3ddr h SER 234 Cb 0.03 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 3ddr h SER 234 CO 0.00 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.43 3ddr n ASP 235 N -2.39 0.00 0.00 4.97 8.00 -0.98 -3.68 116.55 122.47 3ddr n ASP 235 Ca 0.04 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.40 3ddr n ASP 235 Cb 0.36 -0.27 0.00 0.00 -0.02 0.00 0.00 41.12 41.19 3ddr n ASP 235 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3ddr n PHE 236 N -1.27 0.00 -4.16 1.24 3.72 -1.16 -5.05 117.46 110.79 3ddr n PHE 236 Ca 0.13 0.00 -0.23 0.00 -0.05 0.00 0.00 57.45 57.30 3ddr n PHE 236 Cb 0.21 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.68 3ddr n PHE 236 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ddr s LEU 237 N -0.88 3.24 0.23 4.37 1.43 -1.02 -4.34 118.68 121.71 3ddr s LEU 237 Ca 0.00 -0.75 -0.17 0.00 -1.03 0.00 0.00 54.13 52.18 3ddr s LEU 237 Cb 0.00 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.51 3ddr s LEU 237 CO 0.00 -0.23 0.55 0.00 0.23 0.00 0.00 176.35 176.90 3ddr s ALA 238 N -2.40 -0.79 0.14 4.21 0.00 -1.20 -4.82 121.76 116.89 3ddr s ALA 238 Ca 0.36 -0.42 -0.27 0.00 0.00 0.00 0.00 51.96 51.62 3ddr s ALA 238 Cb -0.03 0.91 -0.06 0.00 0.00 0.00 0.00 23.12 23.94 3ddr s ALA 238 CO 0.22 -0.86 1.37 -2.30 0.00 0.00 0.00 175.76 174.18 3ddr n PRO 239 N -0.37 -0.39 -0.33 0.00 -0.02 -1.26 -0.26 135.00 132.37 3ddr n PRO 239 Ca -0.07 1.34 -0.01 0.00 -2.02 0.00 0.00 63.50 62.75 3ddr n PRO 239 Cb 0.62 -1.97 0.12 0.00 -0.02 0.00 0.00 33.50 32.25 3ddr n PRO 239 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3ddr h GLY 240 N 0.00 1.32 -5.80 -1.23 0.00 -2.01 -3.44 103.07 91.90 3ddr h GLY 240 Ca 0.14 -0.44 -0.58 0.00 0.00 0.00 0.00 47.33 46.44 3ddr h GLY 240 CO -0.83 0.37 -0.14 1.25 0.00 0.00 0.00 176.54 177.19 3ddr s LYS 241 N -6.09 4.28 0.00 4.80 2.20 0.64 -4.96 119.74 120.62 3ddr s LYS 241 Ca -0.13 0.39 0.12 0.00 -0.36 0.00 0.00 55.97 55.99 3ddr s LYS 241 Cb 0.18 -3.48 -0.06 0.00 -1.51 0.00 0.00 37.83 32.96 3ddr s LYS 241 CO 0.80 0.07 0.60 0.39 -0.36 0.00 0.00 175.35 176.85 3ddr n GLU 242 N 4.02 2.58 -3.77 4.03 1.02 -1.26 -3.26 120.64 124.00 3ddr n GLU 242 Ca -0.07 -0.35 -0.14 0.00 -0.02 0.00 0.00 57.16 56.58 3ddr n GLU 242 Cb 0.51 -1.09 -0.15 0.00 -0.02 0.00 0.00 31.44 30.69 3ddr n GLU 242 CO 0.00 0.00 0.00 -1.17 1.18 0.00 0.00 177.13 177.14 3ddr s LEU 243 N -2.13 0.97 0.28 -4.62 0.20 -1.26 -2.13 118.68 109.99 3ddr s LEU 243 Ca 0.07 0.14 -0.11 0.00 0.69 0.00 0.00 54.13 54.92 3ddr s LEU 243 Cb 0.09 0.10 0.00 0.00 -0.43 0.00 0.00 46.19 45.96 3ddr s LEU 243 CO 0.38 -0.13 0.51 -0.83 -0.29 0.00 0.00 176.35 175.99 3ddr s GLY 244 N 1.07 0.73 0.00 7.98 0.00 0.26 -4.95 107.32 112.41 3ddr s GLY 244 Ca -0.09 -1.00 0.00 0.00 0.00 0.00 0.00 44.72 43.63 3ddr s GLY 244 CO -0.04 -0.67 0.00 0.61 0.00 0.00 0.00 173.10 173.00 3ddr n GLY 245 N -0.44 -1.68 3.15 0.20 0.00 0.94 0.43 105.19 107.79 3ddr n GLY 245 Ca -0.02 -1.09 0.04 0.00 0.00 0.00 0.00 46.02 44.95 3ddr n GLY 245 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3ddr s LYS 246 N -1.70 0.48 -0.06 1.61 2.20 -0.12 -2.34 119.74 119.82 3ddr s LYS 246 Ca 0.00 0.72 -0.17 0.00 -0.36 0.00 0.00 55.97 56.15 3ddr s LYS 246 Cb 0.00 0.38 -0.05 0.00 -1.51 0.00 0.00 37.83 36.65 3ddr s LYS 246 CO 0.00 -0.66 0.47 -0.51 -0.36 0.00 0.00 175.35 174.28 3ddr s LEU 247 N 2.87 4.37 0.00 5.43 1.43 -0.85 -1.77 118.68 130.17 3ddr s LEU 247 Ca 0.15 0.92 0.01 0.00 -1.03 0.00 0.00 54.13 54.18 3ddr s LEU 247 Cb -0.12 -2.69 -0.00 0.00 0.03 0.00 0.00 46.19 43.41 3ddr s LEU 247 CO -0.21 0.14 -0.03 -2.28 0.23 0.00 0.00 176.35 174.20 3ddr s HIS 248 N -0.13 0.26 -0.03 0.29 5.65 -0.15 -0.80 115.29 120.39 3ddr s HIS 248 Ca 0.26 -0.10 -0.14 0.00 0.25 0.00 0.00 55.06 55.33 3ddr s HIS 248 Cb -0.16 -0.17 0.02 0.00 -1.18 0.00 0.00 32.58 31.09 3ddr s HIS 248 CO 0.12 -0.02 0.30 0.00 -0.65 0.00 0.00 174.74 174.49 3ddr s ALA 249 N -0.22 -0.75 0.12 1.58 0.00 -0.81 -0.75 121.76 120.94 3ddr s ALA 249 Ca -0.01 0.36 -0.26 0.00 0.00 0.00 0.00 51.96 52.06 3ddr s ALA 249 Cb -0.02 0.00 0.07 0.00 0.00 0.00 0.00 23.12 23.17 3ddr s ALA 249 CO -0.00 -0.24 1.01 -1.54 0.00 0.00 0.00 175.76 174.99 3ddr s SER 250 N -1.14 -0.16 0.25 0.00 1.04 -0.73 -0.83 113.70 112.12 3ddr s SER 250 Ca -0.12 -0.36 -0.22 0.00 0.48 0.00 0.00 55.95 55.74 3ddr s SER 250 Cb -0.05 0.44 0.03 0.00 0.10 0.00 0.00 66.02 66.54 3ddr s SER 250 CO 0.04 -0.80 0.80 0.28 0.98 0.00 0.00 173.24 174.53 3ddr s THR 251 N -3.15 0.00 0.32 2.02 -1.32 -1.06 -1.61 115.64 110.84 3ddr s THR 251 Ca 0.12 -0.90 -0.07 0.00 -1.21 0.00 0.00 61.69 59.63 3ddr s THR 251 Cb -0.00 -2.04 0.03 0.00 -1.51 0.00 0.00 72.50 68.98 3ddr s THR 251 CO 0.01 0.00 0.55 0.61 -2.21 0.00 0.00 174.62 173.58 3ddr n GLY 252 N -0.47 1.66 0.00 6.08 0.00 0.15 -2.23 105.19 110.38 3ddr n GLY 252 Ca -0.05 -1.39 0.00 0.00 0.00 0.00 0.00 46.02 44.58 3ddr n GLY 252 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddr n ASP 253 N -1.56 0.00 -4.09 1.61 5.68 -0.45 -4.18 116.55 113.56 3ddr n ASP 253 Ca -0.04 -0.69 -0.28 0.00 -0.50 0.00 0.00 54.79 53.28 3ddr n ASP 253 Cb 0.50 0.00 -0.04 0.00 -1.14 0.00 0.00 41.12 40.44 3ddr n ASP 253 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3ddr n ASN 254 N -2.08 -0.35 0.00 -1.12 5.15 -1.26 -1.66 115.26 113.94 3ddr n ASN 254 Ca 0.00 -1.08 0.00 0.00 -0.60 0.00 0.00 54.58 52.90 3ddr n ASN 254 Cb 0.00 -2.62 0.00 0.00 -0.53 0.00 0.00 39.78 36.63 3ddr n ASN 254 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 3ddr n GLY 255 N -2.05 1.81 2.98 8.20 0.00 -1.26 -4.65 105.19 110.21 3ddr n GLY 255 Ca -0.26 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.34 3ddr n GLY 255 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ddr n THR 256 N -2.00 3.10 -0.19 2.61 -1.04 -0.67 -0.50 114.28 115.59 3ddr n THR 256 Ca 0.00 -2.82 -0.10 0.00 -2.04 0.00 0.00 64.05 59.10 3ddr n THR 256 Cb 0.00 -2.49 0.01 0.00 -1.82 0.00 0.00 70.33 66.04 3ddr n THR 256 CO 0.00 0.00 0.00 0.45 -0.64 0.00 0.00 175.07 174.88 3ddr h HIS 257 N 6.82 1.07 -1.30 -1.42 3.86 -1.69 0.43 115.15 122.91 3ddr h HIS 257 Ca 0.50 -0.19 0.16 0.00 -1.16 0.00 0.00 60.37 59.68 3ddr h HIS 257 Cb 0.69 -0.28 -0.30 0.00 1.06 0.00 0.00 27.41 28.59 3ddr h HIS 257 CO 1.40 0.98 0.57 0.12 0.86 0.00 0.00 177.93 181.86 3ddr s PHE 258 N -4.99 -0.32 -0.15 2.45 5.99 -0.99 -4.73 117.98 115.25 3ddr s PHE 258 Ca -0.12 0.64 -0.04 0.00 0.00 0.00 0.00 56.93 57.41 3ddr s PHE 258 Cb 0.13 0.21 0.05 0.00 0.00 0.00 0.00 43.02 43.41 3ddr s PHE 258 CO 0.84 -0.16 0.09 0.42 -0.00 0.00 0.00 175.22 176.41 3ddr s ILE 259 N 1.13 -0.09 0.16 3.12 1.01 -0.64 -1.00 121.20 124.89 3ddr s ILE 259 Ca -0.08 -0.06 -0.11 0.00 0.00 0.00 0.00 60.65 60.41 3ddr s ILE 259 Cb -0.03 -0.50 0.00 0.00 0.01 0.00 0.00 42.46 41.94 3ddr s ILE 259 CO -0.12 -0.20 0.32 -0.83 0.00 0.00 0.00 174.94 174.11 3ddr s GLY 260 N 2.15 0.29 0.09 6.18 0.00 -0.94 -1.77 107.32 113.31 3ddr s GLY 260 Ca 0.03 -0.69 -0.16 0.00 0.00 0.00 0.00 44.72 43.89 3ddr s GLY 260 CO -0.08 -0.70 0.38 -1.35 0.00 0.00 0.00 173.10 171.35 3ddr s SER 261 N -2.93 -0.22 -0.11 1.64 1.04 0.08 -1.17 113.70 112.03 3ddr s SER 261 Ca 0.13 -0.23 -0.00 0.00 0.48 0.00 0.00 55.95 56.34 3ddr s SER 261 Cb 0.03 0.44 0.02 0.00 0.10 0.00 0.00 66.02 66.61 3ddr s SER 261 CO -0.02 -0.76 -0.09 -0.83 0.98 0.00 0.00 173.24 172.52 3ddr s GLY 262 N -2.48 0.85 -0.06 7.32 0.00 -0.06 -0.98 107.32 111.91 3ddr s GLY 262 Ca -0.00 -0.57 0.03 0.00 0.00 0.00 0.00 44.72 44.18 3ddr s GLY 262 CO -0.08 0.71 -0.16 -0.42 0.00 0.00 0.00 173.10 173.15 3ddr s ILE 263 N 1.58 2.90 -0.04 0.90 1.01 -0.73 -1.21 121.20 125.61 3ddr s ILE 263 Ca 0.03 -0.77 -0.01 0.00 0.00 0.00 0.00 60.65 59.90 3ddr s ILE 263 Cb -0.13 -2.14 0.03 0.00 0.01 0.00 0.00 42.46 40.23 3ddr s ILE 263 CO -0.07 0.58 0.04 -0.22 0.00 0.00 0.00 174.94 175.26 3ddr s LEU 264 N -0.48 0.48 -0.13 2.97 0.20 0.19 -0.94 118.68 120.97 3ddr s LEU 264 Ca 0.06 0.04 0.01 0.00 0.69 0.00 0.00 54.13 54.93 3ddr s LEU 264 Cb -0.12 -0.18 0.02 0.00 -0.43 0.00 0.00 46.19 45.48 3ddr s LEU 264 CO 0.02 -0.20 -0.15 0.00 -0.29 0.00 0.00 176.35 175.73 3ddr s ALA 265 N 1.82 1.78 0.24 5.97 0.00 0.17 -0.97 121.76 130.77 3ddr s ALA 265 Ca 0.01 -0.82 0.10 0.00 0.00 0.00 0.00 51.96 51.25 3ddr s ALA 265 Cb -0.12 -0.95 -0.04 0.00 0.00 0.00 0.00 23.12 22.01 3ddr s ALA 265 CO -0.03 -0.23 -0.06 -0.51 0.00 0.00 0.00 175.76 174.93 3ddr s LEU 266 N 1.24 3.04 0.00 0.00 1.02 -0.68 -0.57 118.68 122.72 3ddr s LEU 266 Ca -0.01 -0.68 0.00 0.00 0.02 0.00 0.00 54.13 53.46 3ddr s LEU 266 Cb -0.14 -1.61 0.00 0.00 0.02 0.00 0.00 46.19 44.47 3ddr s LEU 266 CO -0.06 0.04 0.00 0.61 0.02 0.00 0.00 176.35 176.96 3ddr n GLY 267 N -0.58 4.19 0.00 -3.19 0.00 -0.91 -1.66 105.19 103.04 3ddr n GLY 267 Ca -0.07 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.44 3ddr n GLY 267 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ddr n ASN 268 N 0.00 0.00 -0.43 1.61 0.23 -0.94 -4.33 115.26 111.40 3ddr n ASN 268 Ca 0.00 0.00 0.05 0.00 -0.53 0.00 0.00 54.58 54.10 3ddr n ASN 268 Cb 0.00 0.00 0.04 0.00 -2.08 0.00 0.00 39.78 37.74 3ddr n ASN 268 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 3ddr n GLU 269 N 0.00 0.50 -0.00 -3.83 1.02 -1.26 -4.31 120.64 112.76 3ddr n GLU 269 Ca 0.00 -1.14 0.02 0.00 -0.02 0.00 0.00 57.16 56.03 3ddr n GLU 269 Cb 0.00 -1.21 0.02 0.00 -0.02 0.00 0.00 31.44 30.24 3ddr n GLU 269 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 3ddr n THR 270 N 0.60 0.04 -3.13 2.62 -2.24 -1.26 -4.77 114.28 106.13 3ddr n THR 270 Ca 0.06 -0.52 0.00 0.00 -2.27 0.00 0.00 64.05 61.32 3ddr n THR 270 Cb 0.27 1.08 0.00 0.00 -2.10 0.00 0.00 70.33 69.58 3ddr n THR 270 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddr n GLY 271 N 0.26 -1.31 0.00 3.38 0.00 -1.26 -1.24 105.19 105.01 3ddr n GLY 271 Ca 0.03 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 45.10 3ddr n GLY 271 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ddr n ASP 272 N 1.00 0.00 -4.17 1.61 5.68 -0.87 -2.22 116.55 117.59 3ddr n ASP 272 Ca 0.00 0.00 -0.25 0.00 -0.50 0.00 0.00 54.79 54.04 3ddr n ASP 272 Cb 0.00 0.00 -0.15 0.00 -1.14 0.00 0.00 41.12 39.83 3ddr n ASP 272 CO 0.00 0.00 0.00 -0.51 -1.33 0.00 0.00 177.20 175.36 3ddr s ILE 273 N -1.65 1.39 -0.16 2.12 1.10 -0.67 -0.54 121.20 122.80 3ddr s ILE 273 Ca 0.00 -0.75 0.02 0.00 -0.51 0.00 0.00 60.65 59.41 3ddr s ILE 273 Cb 0.00 -1.16 0.01 0.00 0.15 0.00 0.00 42.46 41.46 3ddr s ILE 273 CO 0.00 0.40 -0.21 -0.22 -2.11 0.00 0.00 174.94 172.80 3ddr s LEU 274 N -0.38 2.10 -0.05 8.50 2.96 0.75 -1.69 118.68 130.86 3ddr s LEU 274 Ca 0.06 -0.62 0.04 0.00 -0.22 0.00 0.00 54.13 53.40 3ddr s LEU 274 Cb -0.07 -1.45 -0.02 0.00 0.50 0.00 0.00 46.19 45.15 3ddr s LEU 274 CO -0.00 0.04 -0.16 -0.76 -1.32 0.00 0.00 176.35 174.15 3ddr s LEU 275 N 1.02 2.64 -0.16 -0.68 1.43 -0.14 -1.39 118.68 121.39 3ddr s LEU 275 Ca -0.02 -0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.56 3ddr s LEU 275 Cb -0.14 -1.52 0.09 0.00 0.03 0.00 0.00 46.19 44.64 3ddr s LEU 275 CO -0.07 0.34 0.80 0.00 0.23 0.00 0.00 176.35 177.66 3ddr s ALA 276 N -0.69 -1.83 -0.01 4.21 0.00 -0.79 0.54 121.76 123.19 3ddr s ALA 276 Ca 0.11 1.62 -0.09 0.00 0.00 0.00 0.00 51.96 53.59 3ddr s ALA 276 Cb -0.11 -0.62 0.01 0.00 0.00 0.00 0.00 23.12 22.40 3ddr s ALA 276 CO 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 175.76 175.62 3ddr s ALA 277 N -0.61 -0.46 0.07 0.00 0.00 -0.35 -0.48 121.76 119.93 3ddr s ALA 277 Ca -0.05 0.04 0.05 0.00 0.00 0.00 0.00 51.96 52.01 3ddr s ALA 277 Cb -0.02 0.06 -0.03 0.00 0.00 0.00 0.00 23.12 23.13 3ddr s ALA 277 CO 0.04 -0.21 -0.13 -1.54 0.00 0.00 0.00 175.76 173.91 3ddr s SER 278 N -1.24 1.60 -0.05 0.00 1.04 -0.50 -0.89 113.70 113.66 3ddr s SER 278 Ca -0.13 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.68 3ddr s SER 278 Cb -0.06 -0.04 0.02 0.00 0.10 0.00 0.00 66.02 66.03 3ddr s SER 278 CO 0.02 -0.11 -0.08 -1.61 0.98 0.00 0.00 173.24 172.44 3ddr s GLU 279 N -1.87 1.28 -0.10 4.02 0.41 -0.31 -2.40 118.70 119.72 3ddr s GLU 279 Ca -0.01 -0.26 0.01 0.00 -0.41 0.00 0.00 54.97 54.29 3ddr s GLU 279 Cb -0.09 -1.13 0.02 0.00 -1.78 0.00 0.00 34.13 31.15 3ddr s GLU 279 CO 0.02 -0.02 -0.11 0.50 -0.49 0.00 0.00 175.26 175.16 3ddr s ARG 280 N 0.77 1.78 -0.26 1.61 3.52 -0.85 -2.23 118.95 123.31 3ddr s ARG 280 Ca -0.13 -0.38 -0.03 0.00 -0.13 0.00 0.00 55.73 55.06 3ddr s ARG 280 Cb -0.15 -1.65 0.09 0.00 -1.56 0.00 0.00 34.95 31.67 3ddr s ARG 280 CO 0.02 -0.15 0.09 -1.01 -0.81 0.00 0.00 175.30 173.44 3ddr s HIS 281 N 1.28 1.00 0.08 5.12 3.76 -0.17 -2.45 115.29 123.91 3ddr s HIS 281 Ca -0.02 -1.13 0.09 0.00 -0.15 0.00 0.00 55.06 53.84 3ddr s HIS 281 Cb -0.14 -1.21 -0.03 0.00 1.11 0.00 0.00 32.58 32.31 3ddr s HIS 281 CO -0.04 -0.76 -0.22 -0.51 -0.85 0.00 0.00 174.74 172.36 3ddr s LEU 282 N 1.86 2.45 0.00 0.89 1.43 -0.90 -2.26 118.68 122.16 3ddr s LEU 282 Ca 0.06 -0.56 0.03 0.00 -1.03 0.00 0.00 54.13 52.63 3ddr s LEU 282 Cb -0.17 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.68 3ddr s LEU 282 CO -0.22 0.23 0.26 0.61 0.23 0.00 0.00 176.35 177.45 3ddr n GLY 283 N 1.33 3.03 3.77 -3.19 0.00 0.34 -2.66 105.19 107.82 3ddr n GLY 283 Ca -0.17 -2.31 -0.39 0.00 0.00 0.00 0.00 46.02 43.15 3ddr n GLY 283 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddr s ASP 284 N -3.83 6.38 0.15 1.61 1.01 -1.26 -4.15 116.67 116.58 3ddr s ASP 284 Ca 0.20 2.53 0.11 0.00 0.71 0.00 0.00 52.55 56.09 3ddr s ASP 284 Cb -0.02 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.24 3ddr s ASP 284 CO 0.13 -0.79 -0.23 -0.72 0.21 0.00 0.00 175.17 173.76 3ddr s TYR 285 N -1.32 2.37 0.26 4.23 1.13 -1.26 -4.30 117.35 118.46 3ddr s TYR 285 Ca 0.57 -0.34 -0.29 0.00 -1.41 0.00 0.00 57.07 55.60 3ddr s TYR 285 Cb -0.35 -1.23 -0.09 0.00 -1.10 0.00 0.00 41.96 39.18 3ddr s TYR 285 CO 0.45 0.41 0.96 -1.58 -2.51 0.00 0.00 175.55 173.27 3ddr s TRP 286 N -1.31 3.89 0.79 -3.49 0.52 -1.26 -2.21 118.94 115.88 3ddr s TRP 286 Ca 0.17 1.87 -0.04 0.00 0.02 0.00 0.00 56.10 58.13 3ddr s TRP 286 Cb -0.09 -3.00 0.16 0.00 -1.15 0.00 0.00 33.47 29.39 3ddr s TRP 286 CO 0.08 0.32 1.09 -1.25 0.02 0.00 0.00 176.95 177.21 3ddr s PRO 287 N -1.37 1.31 0.72 4.98 0.05 -1.26 -1.35 135.00 138.07 3ddr s PRO 287 Ca 0.43 -1.06 -0.16 0.00 0.05 0.00 0.00 61.00 60.26 3ddr s PRO 287 Cb -0.25 -2.22 0.01 0.00 0.05 0.00 0.00 34.50 32.09 3ddr s PRO 287 CO 0.31 -1.76 1.04 0.41 0.05 0.00 0.00 177.00 177.05 3ddr n GLY 288 N -3.09 -0.24 0.00 0.56 0.00 -1.18 -4.04 105.19 97.19 3ddr n GLY 288 Ca 0.16 -0.32 0.01 0.00 0.00 0.00 0.00 46.02 45.87 3ddr n GLY 288 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ddr n ASN 289 N -1.87 2.65 -4.36 1.61 5.15 0.25 -4.22 115.26 114.46 3ddr n ASN 289 Ca 0.14 -0.23 -0.31 0.00 -0.60 0.00 0.00 54.58 53.58 3ddr n ASN 289 Cb 0.49 1.07 -0.15 0.00 -0.53 0.00 0.00 39.78 40.66 3ddr n ASN 289 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3ddr s LYS 290 N -1.79 2.04 0.00 1.20 -0.14 -1.01 -4.86 119.74 115.18 3ddr s LYS 290 Ca -0.00 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 3ddr s LYS 290 Cb 0.02 -2.08 0.00 0.00 -1.68 0.00 0.00 37.83 34.09 3ddr s LYS 290 CO 0.11 0.55 0.00 0.41 -0.76 0.00 0.00 175.35 175.65 3ddr n GLY 291 N 2.08 1.27 3.90 -3.33 0.00 -1.26 -0.87 105.19 106.98 3ddr n GLY 291 Ca -0.16 -2.20 -0.22 0.00 0.00 0.00 0.00 46.02 43.43 3ddr n GLY 291 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3ddr s ASP 292 N 0.00 5.94 0.00 1.61 1.01 -1.26 -4.89 116.67 119.08 3ddr s ASP 292 Ca 0.00 -0.06 0.00 0.00 0.71 0.00 0.00 52.55 53.20 3ddr s ASP 292 Cb 0.00 -1.65 0.00 0.00 1.01 0.00 0.00 42.92 42.28 3ddr s ASP 292 CO 0.00 -0.03 0.00 2.30 0.21 0.00 0.00 175.17 177.65 3ddr n ILE 293 N -1.12 0.00 -1.23 0.77 -5.35 -1.26 -4.87 119.36 106.30 3ddr n ILE 293 Ca -0.08 0.00 -0.54 0.00 -0.27 0.00 0.00 62.75 61.86 3ddr n ILE 293 Cb 0.57 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.37 3ddr n ILE 293 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3ddr n GLY 294 N 0.08 -0.01 0.10 3.28 0.00 -1.26 -4.82 105.19 102.57 3ddr n GLY 294 Ca 0.00 0.91 -0.12 0.00 0.00 0.00 0.00 46.02 46.81 3ddr n GLY 294 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ddr n ASN 295 N 5.14 1.49 0.03 1.61 5.15 -1.26 -4.26 115.26 123.16 3ddr n ASN 295 Ca 0.38 -0.06 -0.22 0.00 -0.60 0.00 0.00 54.58 54.08 3ddr n ASN 295 Cb -0.04 0.28 -0.14 0.00 -0.53 0.00 0.00 39.78 39.35 3ddr n ASN 295 CO 0.00 0.00 0.00 0.40 1.40 0.00 0.00 177.26 179.06 3ddr h ILE 296 N 0.00 0.76 0.00 -1.44 1.08 -1.92 -3.40 117.51 112.60 3ddr h ILE 296 Ca -0.49 -2.41 -0.00 0.00 -0.39 0.00 0.00 64.86 61.58 3ddr h ILE 296 Cb 1.92 2.61 0.00 0.00 -3.07 0.00 0.00 36.82 38.29 3ddr h ILE 296 CO -0.03 0.87 -0.00 -0.09 -0.69 0.00 0.00 178.15 178.22 3ddr h ARG 297 N 0.06 -0.00 -5.59 2.37 9.65 -1.91 -3.43 114.38 115.54 3ddr h ARG 297 Ca -0.39 0.00 -0.58 0.00 -1.10 0.00 0.00 59.98 57.91 3ddr h ARG 297 Cb 2.04 0.00 -0.09 0.00 -1.39 0.00 0.00 29.97 30.53 3ddr h ARG 297 CO 0.12 0.86 -0.22 0.42 2.80 0.00 0.00 179.97 183.95 3ddr s ILE 298 N -2.74 5.24 -1.06 1.20 1.01 -1.26 -4.98 121.20 118.60 3ddr s ILE 298 Ca -0.18 0.75 0.00 0.00 0.00 0.00 0.00 60.65 61.22 3ddr s ILE 298 Cb -0.02 -3.73 0.00 0.00 0.01 0.00 0.00 42.46 38.72 3ddr s ILE 298 CO 0.68 0.34 0.00 -0.46 0.00 0.00 0.00 174.94 175.50 3ddr n ASN 299 N 3.76 0.00 0.00 3.58 6.94 -1.26 -4.23 115.26 124.05 3ddr n ASN 299 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.47 3ddr n ASN 299 Cb 0.52 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.94 3ddr n ASN 299 CO 0.00 0.00 0.00 0.59 -1.03 0.00 0.00 177.26 176.82 3ddr n ASN 300 N 0.00 0.00 -0.23 0.53 3.02 -1.26 -4.05 115.26 113.27 3ddr n ASN 300 Ca 0.00 0.00 -0.02 0.00 -0.03 0.00 0.00 54.58 54.53 3ddr n ASN 300 Cb 0.00 -0.75 -0.01 0.00 -0.61 0.00 0.00 39.78 38.42 3ddr n ASN 300 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 3ddr n ASP 301 N 0.00 -2.90 -2.33 6.41 9.92 -1.26 -4.71 116.55 121.69 3ddr n ASP 301 Ca 0.00 0.05 -0.06 0.00 -0.53 0.00 0.00 54.79 54.25 3ddr n ASP 301 Cb 0.00 -2.09 -0.07 0.00 -0.64 0.00 0.00 41.12 38.32 3ddr n ASP 301 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 3ddr n THR 302 N -1.11 1.31 0.00 -3.53 -2.24 -1.26 -1.15 114.28 106.30 3ddr n THR 302 Ca -0.02 -0.66 0.00 0.00 -2.27 0.00 0.00 64.05 61.10 3ddr n THR 302 Cb 0.26 -1.73 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 3ddr n THR 302 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3ddr n GLY 303 N 2.83 1.47 0.00 3.38 0.00 -1.26 -5.07 105.19 106.55 3ddr n GLY 303 Ca 0.19 -0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.16 3ddr n GLY 303 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddr n ASN 304 N 0.00 0.00 0.07 1.61 3.02 -0.30 -4.92 115.26 114.74 3ddr n ASN 304 Ca 0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 54.58 54.45 3ddr n ASN 304 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 3ddr n ASN 304 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 3ddr h TYR 305 N 0.00 -0.93 -0.96 3.10 5.03 -1.83 -2.85 116.97 118.53 3ddr h TYR 305 Ca 0.00 0.02 0.27 0.00 2.58 0.00 0.00 58.73 61.60 3ddr h TYR 305 Cb 0.00 0.40 -0.14 0.00 1.55 0.00 0.00 36.73 38.54 3ddr h TYR 305 CO 0.00 -0.37 0.48 -0.44 -1.32 0.00 0.00 178.16 176.52 3ddr h ASP 306 N -0.47 0.43 -0.04 -2.11 3.32 -1.96 0.13 116.42 115.72 3ddr h ASP 306 Ca -0.01 0.17 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3ddr h ASP 306 Cb 0.47 0.13 -0.00 0.00 0.22 0.00 0.00 39.33 40.15 3ddr h ASP 306 CO -0.17 -0.06 -0.00 -0.09 -1.72 0.00 0.00 179.24 177.20 3ddr h ARG 307 N 0.38 0.08 0.13 3.56 2.43 -1.90 -2.62 114.38 116.44 3ddr h ARG 307 Ca 0.65 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.79 3ddr h ARG 307 Cb 1.35 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.89 3ddr h ARG 307 CO -0.57 0.39 -0.14 1.88 -1.51 0.00 0.00 179.97 180.02 3ddr h TYR 308 N -0.25 -0.39 -0.67 2.20 0.05 -0.60 -2.18 116.97 115.13 3ddr h TYR 308 Ca 0.01 0.00 0.06 0.00 0.05 0.00 0.00 58.73 58.86 3ddr h TYR 308 Cb 0.36 0.15 -0.09 0.00 1.01 0.00 0.00 36.73 38.17 3ddr h TYR 308 CO 0.04 -0.18 -0.44 0.00 -1.05 0.00 0.00 178.16 176.53 3ddr h ALA 309 N -1.49 -0.47 -1.00 3.88 0.00 -1.16 0.20 119.26 119.22 3ddr h ALA 309 Ca -0.02 0.07 0.25 0.00 0.00 0.00 0.00 54.91 55.21 3ddr h ALA 309 Cb 0.24 1.24 -0.13 0.00 0.00 0.00 0.00 17.79 19.14 3ddr h ALA 309 CO -0.02 -0.76 0.58 1.49 0.00 0.00 0.00 179.25 180.53 3ddr h GLU 310 N -0.06 0.54 -0.36 0.00 4.22 -1.46 -1.11 114.58 116.35 3ddr h GLU 310 Ca 0.11 -0.03 -0.07 0.00 0.08 0.00 0.00 59.36 59.44 3ddr h GLU 310 Cb 0.34 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 3ddr h GLU 310 CO -0.66 0.36 -0.06 1.03 -2.18 0.00 0.00 179.01 177.50 3ddr h SER 311 N 0.56 0.67 -0.86 1.04 0.87 0.04 -2.94 113.55 112.92 3ddr h SER 311 Ca 0.65 -0.35 -0.03 0.00 -1.23 0.00 0.00 61.79 60.83 3ddr h SER 311 Cb 1.24 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 62.98 3ddr h SER 311 CO -0.49 0.86 0.43 0.40 -0.53 0.00 0.00 176.83 177.50 3ddr h ILE 312 N 0.47 1.26 0.00 2.23 2.04 -0.38 -2.29 117.51 120.84 3ddr h ILE 312 Ca 0.09 -0.71 0.00 0.00 1.00 0.00 0.00 64.86 65.24 3ddr h ILE 312 Cb 0.55 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 36.77 3ddr h ILE 312 CO 0.03 0.31 0.00 0.29 0.00 0.00 0.00 178.15 178.78 3ddr n LYS 313 N -4.31 0.02 -1.08 2.37 5.02 -0.78 -3.02 118.16 116.38 3ddr n LYS 313 Ca 0.09 0.34 -0.01 0.00 -2.02 0.00 0.00 58.31 56.71 3ddr n LYS 313 Cb 0.13 -1.55 0.14 0.00 -0.02 0.00 0.00 35.03 33.73 3ddr n LYS 313 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3ddr n ASN 314 N -1.60 2.30 -3.76 4.39 3.02 -0.86 -4.37 115.26 114.38 3ddr n ASN 314 Ca 0.02 -3.59 -0.13 0.00 -0.03 0.00 0.00 54.58 50.85 3ddr n ASN 314 Cb 0.13 -0.46 -0.10 0.00 -0.61 0.00 0.00 39.78 38.74 3ddr n ASN 314 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 3ddr s ASN 315 N -3.20 -0.32 0.23 6.41 0.01 -1.17 -5.03 114.94 111.87 3ddr s ASN 315 Ca 0.40 0.54 -0.31 0.00 -0.71 0.00 0.00 52.86 52.79 3ddr s ASN 315 Cb 0.38 0.61 -0.15 0.00 0.41 0.00 0.00 41.25 42.50 3ddr s ASN 315 CO -0.06 -0.20 1.13 0.29 -1.51 0.00 0.00 177.10 176.76 3ddr n LYS 316 N 2.51 1.34 -2.19 -0.60 5.02 -1.26 -4.48 118.16 118.50 3ddr n LYS 316 Ca -0.15 0.47 -0.43 0.00 -2.02 0.00 0.00 58.31 56.19 3ddr n LYS 316 Cb 0.57 -1.94 -0.02 0.00 -0.02 0.00 0.00 35.03 33.62 3ddr n LYS 316 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3ddr s ILE 317 N -0.52 3.75 0.00 -0.18 -1.09 -0.94 -4.94 121.20 117.28 3ddr s ILE 317 Ca 0.67 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.88 3ddr s ILE 317 Cb -0.77 -3.90 0.00 0.00 -1.58 0.00 0.00 42.46 36.21 3ddr s ILE 317 CO 0.55 -0.50 0.36 -2.65 -1.23 0.00 0.00 174.94 171.47 3ddr n PRO 318 N 7.97 0.00 -2.77 2.79 -0.02 -1.26 -3.33 135.00 138.38 3ddr n PRO 318 Ca 0.19 0.36 -0.25 0.00 -2.02 0.00 0.00 63.50 61.78 3ddr n PRO 318 Cb 0.47 -0.57 -0.02 0.00 -0.02 0.00 0.00 33.50 33.36 3ddr n PRO 318 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3ddr n ASP 319 N -1.99 4.15 0.05 2.55 8.00 -1.26 -4.73 116.55 123.33 3ddr n ASP 319 Ca 0.00 -3.60 0.12 0.00 0.71 0.00 0.00 54.79 52.02 3ddr n ASP 319 Cb 0.00 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 40.74 3ddr n ASP 319 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 3ddr n THR 320 N -0.29 0.32 -2.29 -3.53 -2.24 -1.21 -4.49 114.28 100.54 3ddr n THR 320 Ca 0.32 -0.25 -0.38 0.00 -2.27 0.00 0.00 64.05 61.47 3ddr n THR 320 Cb 0.54 -0.08 -0.02 0.00 -2.10 0.00 0.00 70.33 68.66 3ddr n THR 320 CO 0.00 0.00 0.00 -1.38 -0.57 0.00 0.00 175.07 173.12 3ddr s HIS 321 N -3.16 3.04 0.26 4.78 -3.43 -1.26 -4.82 115.29 110.70 3ddr s HIS 321 Ca 0.06 1.55 -0.15 0.00 -0.80 0.00 0.00 55.06 55.72 3ddr s HIS 321 Cb 0.14 -3.39 0.00 0.00 -1.43 0.00 0.00 32.58 27.90 3ddr s HIS 321 CO 0.72 -1.35 0.54 1.52 -2.00 0.00 0.00 174.74 174.18 3ddr s TYR 322 N -1.44 0.23 -0.01 0.38 1.13 -1.09 -4.37 117.35 112.19 3ddr s TYR 322 Ca 0.58 -0.62 0.04 0.00 -1.41 0.00 0.00 57.07 55.66 3ddr s TYR 322 Cb -0.30 0.32 -0.01 0.00 -1.10 0.00 0.00 41.96 40.87 3ddr s TYR 322 CO 0.38 -1.06 -0.12 -0.98 -2.51 0.00 0.00 175.55 171.26 3ddr s ARG 323 N -3.97 0.95 -0.04 -3.49 1.70 -0.46 -2.11 118.95 111.53 3ddr s ARG 323 Ca 0.20 -0.42 -0.03 0.00 -0.47 0.00 0.00 55.73 55.01 3ddr s ARG 323 Cb -0.02 -0.92 0.02 0.00 -0.57 0.00 0.00 34.95 33.46 3ddr s ARG 323 CO 0.09 0.25 0.10 0.00 -1.08 0.00 0.00 175.30 174.66 3ddr s MET 324 N -0.27 0.10 -0.26 3.89 0.23 -1.03 -0.49 119.30 121.46 3ddr s MET 324 Ca 0.04 0.18 0.03 0.00 -1.03 0.00 0.00 55.69 54.91 3ddr s MET 324 Cb -0.05 -0.01 0.06 0.00 -1.53 0.00 0.00 34.83 33.31 3ddr s MET 324 CO -0.00 -0.05 -0.10 -1.01 -2.03 0.00 0.00 175.02 171.82 3ddr s HIS 325 N 0.33 3.27 0.14 3.16 3.76 0.03 -2.00 115.29 123.98 3ddr s HIS 325 Ca -0.02 -2.35 -0.04 0.00 -0.15 0.00 0.00 55.06 52.50 3ddr s HIS 325 Cb -0.04 -1.97 -0.05 0.00 1.11 0.00 0.00 32.58 31.63 3ddr s HIS 325 CO -0.01 -0.88 0.36 -1.12 -0.85 0.00 0.00 174.74 172.24 3ddr s SER 326 N 1.10 6.47 -0.09 1.40 0.01 -1.01 -1.85 113.70 119.74 3ddr s SER 326 Ca -0.08 0.54 -0.04 0.00 1.31 0.00 0.00 55.95 57.69 3ddr s SER 326 Cb -0.20 -2.07 0.04 0.00 0.21 0.00 0.00 66.02 64.00 3ddr s SER 326 CO -0.05 0.06 0.19 -0.13 0.41 0.00 0.00 173.24 173.72 3ddr s ARG 327 N -2.69 0.13 -0.02 12.44 1.81 0.60 -1.41 118.95 129.80 3ddr s ARG 327 Ca 0.40 0.48 0.04 0.00 -1.72 0.00 0.00 55.73 54.93 3ddr s ARG 327 Cb -0.12 -0.16 -0.00 0.00 -0.45 0.00 0.00 34.95 34.21 3ddr s ARG 327 CO 0.25 -0.19 -0.13 -1.17 -0.68 0.00 0.00 175.30 173.38 3ddr s LEU 328 N 1.45 1.92 -0.10 2.53 2.96 0.37 -0.88 118.68 126.92 3ddr s LEU 328 Ca -0.07 -0.24 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 3ddr s LEU 328 Cb -0.11 -0.69 0.05 0.00 0.50 0.00 0.00 46.19 45.93 3ddr s LEU 328 CO -0.07 0.13 0.23 0.00 -1.32 0.00 0.00 176.35 175.32 3ddr s ALA 329 N -0.07 -0.52 -0.04 5.97 0.00 -0.01 -1.88 121.76 125.21 3ddr s ALA 329 Ca 0.01 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.94 3ddr s ALA 329 Cb -0.08 -0.64 0.01 0.00 0.00 0.00 0.00 23.12 22.42 3ddr s ALA 329 CO 0.00 -0.22 -0.08 0.15 0.00 0.00 0.00 175.76 175.61 3ddr s LYS 330 N 1.34 1.10 -0.10 0.00 1.02 -0.49 -0.57 119.74 122.04 3ddr s LYS 330 Ca -0.09 -0.26 -0.00 0.00 0.02 0.00 0.00 55.97 55.65 3ddr s LYS 330 Cb -0.11 -1.00 0.02 0.00 -0.52 0.00 0.00 37.83 36.23 3ddr s LYS 330 CO -0.08 0.02 -0.08 0.08 -0.92 0.00 0.00 175.35 174.37 3ddr s VAL 331 N 0.58 0.99 0.02 3.17 1.01 0.07 -0.18 120.40 126.06 3ddr s VAL 331 Ca -0.10 -0.29 0.08 0.00 0.00 0.00 0.00 61.98 61.67 3ddr s VAL 331 Cb -0.13 -1.00 -0.02 0.00 0.00 0.00 0.00 36.38 35.23 3ddr s VAL 331 CO 0.01 0.35 -0.23 -0.83 0.00 0.00 0.00 175.10 174.41 3ddr s GLY 332 N 1.53 1.19 -0.14 4.51 0.00 0.29 -0.46 107.32 114.24 3ddr s GLY 332 Ca 0.01 -1.08 -0.01 0.00 0.00 0.00 0.00 44.72 43.64 3ddr s GLY 332 CO -0.06 -0.96 -0.12 -0.98 0.00 0.00 0.00 173.10 170.98 3ddr s TRP 333 N -0.70 2.84 -0.11 1.90 0.51 0.58 -2.04 118.94 121.92 3ddr s TRP 333 Ca 0.09 -0.65 -0.13 0.00 -2.12 0.00 0.00 56.10 53.29 3ddr s TRP 333 Cb -0.09 -1.87 -0.05 0.00 -0.81 0.00 0.00 33.47 30.65 3ddr s TRP 333 CO 0.01 -0.23 0.31 -0.80 -0.51 0.00 0.00 176.95 175.73 3ddr s ASN 334 N 0.44 6.55 0.12 2.95 0.01 -0.38 -1.83 114.94 122.80 3ddr s ASN 334 Ca -0.09 0.65 0.04 0.00 -0.71 0.00 0.00 52.86 52.74 3ddr s ASN 334 Cb -0.16 -2.19 -0.04 0.00 0.41 0.00 0.00 41.25 39.27 3ddr s ASN 334 CO 0.05 0.20 -0.09 -0.76 -1.51 0.00 0.00 177.10 174.99 3ddr s LEU 335 N -0.19 2.50 1.05 0.60 1.02 -0.01 -4.67 118.68 118.97 3ddr s LEU 335 Ca 0.19 -0.97 -0.22 0.00 0.02 0.00 0.00 54.13 53.15 3ddr s LEU 335 Cb -0.14 -0.26 -0.05 0.00 0.02 0.00 0.00 46.19 45.76 3ddr s LEU 335 CO 0.07 -0.36 -0.70 -2.65 0.02 0.00 0.00 176.35 172.73 3ddr n PRO 336 N 0.00 -0.67 0.00 1.29 -0.02 -1.26 -2.51 135.00 131.83 3ddr n PRO 336 Ca -0.12 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3ddr n PRO 336 Cb 0.60 -1.35 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 3ddr n PRO 336 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3ddr n ALA 337 N -3.78 0.00 -2.93 3.55 0.00 -1.26 -3.29 120.51 112.80 3ddr n ALA 337 Ca -0.00 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 53.06 3ddr n ALA 337 Cb 0.67 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 20.11 3ddr n ALA 337 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ddr n ASN 338 N -3.66 6.15 -4.72 0.00 5.15 -1.26 -4.95 115.26 111.97 3ddr n ASN 338 Ca 0.00 -3.55 -0.35 0.00 -0.60 0.00 0.00 54.58 50.07 3ddr n ASN 338 Cb 0.00 -1.06 -0.09 0.00 -0.53 0.00 0.00 39.78 38.10 3ddr n ASN 338 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3ddr s GLN 339 N -3.39 3.06 -0.03 1.20 -0.21 -1.04 -1.96 119.66 117.28 3ddr s GLN 339 Ca 0.37 -0.36 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 3ddr s GLN 339 Cb 0.14 -2.86 0.03 0.00 1.00 0.00 0.00 33.01 31.32 3ddr s GLN 339 CO -0.02 0.71 0.03 0.50 -2.12 0.00 0.00 175.29 174.40 3ddr s ARG 340 N -0.94 0.05 -0.14 2.91 3.52 -0.90 -0.83 118.95 122.62 3ddr s ARG 340 Ca 0.14 0.24 -0.06 0.00 -0.13 0.00 0.00 55.73 55.91 3ddr s ARG 340 Cb -0.11 -0.45 -0.04 0.00 -1.56 0.00 0.00 34.95 32.79 3ddr s ARG 340 CO 0.03 -0.24 0.09 -0.51 -0.81 0.00 0.00 175.30 173.86 3ddr s LEU 341 N 1.57 4.03 -0.03 -0.88 1.43 -0.76 -1.71 118.68 122.32 3ddr s LEU 341 Ca -0.03 0.26 0.01 0.00 -1.03 0.00 0.00 54.13 53.34 3ddr s LEU 341 Cb -0.13 -1.99 0.03 0.00 0.03 0.00 0.00 46.19 44.13 3ddr s LEU 341 CO -0.03 0.30 -0.01 -1.58 0.23 0.00 0.00 176.35 175.26 3ddr s GLN 342 N -0.41 0.45 -0.19 1.70 0.74 0.31 -0.30 119.66 121.96 3ddr s GLN 342 Ca 0.10 0.03 -0.08 0.00 0.05 0.00 0.00 55.36 55.46 3ddr s GLN 342 Cb -0.12 -0.59 -0.04 0.00 1.10 0.00 0.00 33.01 33.36 3ddr s GLN 342 CO 0.02 -0.12 0.07 -0.51 -0.55 0.00 0.00 175.29 174.19 3ddr s LEU 343 N 1.02 3.86 -0.05 3.68 1.43 0.39 -0.24 118.68 128.76 3ddr s LEU 343 Ca -0.10 0.09 0.03 0.00 -1.03 0.00 0.00 54.13 53.12 3ddr s LEU 343 Cb -0.14 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.11 3ddr s LEU 343 CO -0.01 0.17 -0.13 -0.44 0.23 0.00 0.00 176.35 176.17 3ddr s SER 344 N 0.41 1.75 -0.05 2.29 0.01 0.89 -0.75 113.70 118.25 3ddr s SER 344 Ca 0.04 -0.29 -0.00 0.00 1.31 0.00 0.00 55.95 57.01 3ddr s SER 344 Cb -0.12 -0.64 0.03 0.00 0.21 0.00 0.00 66.02 65.49 3ddr s SER 344 CO 0.00 0.08 -0.01 -0.47 0.41 0.00 0.00 173.24 173.25 3ddr s TYR 345 N 0.37 0.55 -0.11 2.43 5.04 0.27 0.08 117.35 125.98 3ddr s TYR 345 Ca -0.09 -0.10 0.01 0.00 -2.44 0.00 0.00 57.07 54.45 3ddr s TYR 345 Cb -0.13 -0.64 0.02 0.00 0.35 0.00 0.00 41.96 41.56 3ddr s TYR 345 CO 0.03 -0.23 -0.13 -1.17 -1.34 0.00 0.00 175.55 172.70 3ddr s LEU 346 N 1.47 1.61 -0.09 6.97 2.96 0.33 -0.83 118.68 131.10 3ddr s LEU 346 Ca -0.03 -0.39 0.03 0.00 -0.22 0.00 0.00 54.13 53.53 3ddr s LEU 346 Cb -0.13 -1.00 0.01 0.00 0.50 0.00 0.00 46.19 45.56 3ddr s LEU 346 CO -0.03 -0.01 -0.19 -1.58 -1.32 0.00 0.00 176.35 173.22 3ddr s GLN 347 N 1.11 2.49 -0.14 1.98 0.74 -0.06 0.10 119.66 125.89 3ddr s GLN 347 Ca -0.05 -0.68 -0.02 0.00 0.05 0.00 0.00 55.36 54.66 3ddr s GLN 347 Cb -0.14 -1.95 0.04 0.00 1.10 0.00 0.00 33.01 32.06 3ddr s GLN 347 CO -0.03 0.10 0.01 -0.08 -0.55 0.00 0.00 175.29 174.74 3ddr s THR 348 N 0.53 0.52 -0.23 -0.34 -1.32 -0.17 -0.29 115.64 114.33 3ddr s THR 348 Ca -0.16 -0.26 -0.06 0.00 -1.21 0.00 0.00 61.69 60.00 3ddr s THR 348 Cb -0.17 -0.84 -0.02 0.00 -1.51 0.00 0.00 72.50 69.96 3ddr s THR 348 CO 0.06 0.03 0.02 -1.58 -2.21 0.00 0.00 174.62 170.94 3ddr s GLN 349 N 1.89 3.58 0.05 7.08 0.74 -0.77 -1.51 119.66 130.72 3ddr s GLN 349 Ca 0.02 -0.52 0.09 0.00 0.05 0.00 0.00 55.36 55.00 3ddr s GLN 349 Cb -0.15 -3.17 -0.03 0.00 1.10 0.00 0.00 33.01 30.76 3ddr s GLN 349 CO -0.07 -0.12 -0.26 0.99 -0.55 0.00 0.00 175.29 175.28 3ddr s THR 350 N 1.37 2.20 -0.00 -0.34 2.01 0.50 -0.79 115.64 120.60 3ddr s THR 350 Ca 0.05 -1.37 -0.00 0.00 0.31 0.00 0.00 61.69 60.67 3ddr s THR 350 Cb -0.15 -1.86 -0.00 0.00 0.01 0.00 0.00 72.50 70.50 3ddr s THR 350 CO 0.01 0.36 0.01 0.00 -0.69 0.00 0.00 174.62 174.32 3ddr s ALA 351 N -0.82 -0.02 -0.09 7.40 0.00 0.36 -0.10 121.76 128.50 3ddr s ALA 351 Ca 0.12 -0.06 -0.30 0.00 0.00 0.00 0.00 51.96 51.73 3ddr s ALA 351 Cb -0.10 0.00 0.11 0.00 0.00 0.00 0.00 23.12 23.13 3ddr s ALA 351 CO 0.02 -0.03 0.88 0.45 0.00 0.00 0.00 175.76 177.08 3ddr s SER 352 N -0.22 -0.46 0.63 0.00 0.15 -0.54 -1.35 113.70 111.90 3ddr s SER 352 Ca -0.03 0.41 -0.15 0.00 0.70 0.00 0.00 55.95 56.88 3ddr s SER 352 Cb -0.02 0.39 -0.02 0.00 -1.71 0.00 0.00 66.02 64.67 3ddr s SER 352 CO -0.00 -0.49 1.08 -2.84 1.20 0.00 0.00 173.24 172.19 3ddr s PRO 353 N -1.57 3.07 -0.14 5.44 0.02 -1.26 -0.12 135.00 140.43 3ddr s PRO 353 Ca -0.03 1.28 -0.05 0.00 0.02 0.00 0.00 61.00 62.22 3ddr s PRO 353 Cb -0.00 -1.99 -0.03 0.00 0.02 0.00 0.00 34.50 32.49 3ddr s PRO 353 CO 0.02 -1.02 0.02 0.42 -0.33 0.00 0.00 177.00 176.10 3ddr s ILE 354 N -2.42 4.39 0.23 2.83 1.01 0.19 -4.77 121.20 122.66 3ddr s ILE 354 Ca 0.65 -0.19 0.02 0.00 0.00 0.00 0.00 60.65 61.13 3ddr s ILE 354 Cb -0.18 -2.92 -0.03 0.00 0.01 0.00 0.00 42.46 39.33 3ddr s ILE 354 CO 0.40 0.52 0.39 0.00 0.00 0.00 0.00 174.94 176.24 3ddr s ALA 355 N -0.07 3.87 0.95 9.38 0.00 -1.26 -1.17 121.76 133.46 3ddr s ALA 355 Ca 0.04 -1.04 -0.03 0.00 0.00 0.00 0.00 51.96 50.93 3ddr s ALA 355 Cb -0.13 -1.87 0.05 0.00 0.00 0.00 0.00 23.12 21.17 3ddr s ALA 355 CO 0.02 0.29 0.28 0.41 0.00 0.00 0.00 175.76 176.76 3ddr n GLY 356 N -1.14 -1.04 3.71 0.00 0.00 0.74 -4.59 105.19 102.87 3ddr n GLY 356 Ca -0.07 -1.70 -0.29 0.00 0.00 0.00 0.00 46.02 43.96 3ddr n GLY 356 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ddr s THR 357 N -1.53 1.96 0.08 2.61 -4.23 -1.26 -4.72 115.64 108.55 3ddr s THR 357 Ca 0.16 0.00 -0.31 0.00 -1.18 0.00 0.00 61.69 60.36 3ddr s THR 357 Cb -0.00 -2.59 -0.07 0.00 1.34 0.00 0.00 72.50 71.18 3ddr s THR 357 CO 0.11 0.00 1.32 -0.22 -0.54 0.00 0.00 174.62 175.29 3ddr s LEU 358 N -6.36 4.36 0.00 4.79 2.96 -1.08 -4.49 118.68 118.86 3ddr s LEU 358 Ca 0.66 2.18 -0.15 0.00 -0.22 0.00 0.00 54.13 56.60 3ddr s LEU 358 Cb -0.16 -3.58 0.06 0.00 0.50 0.00 0.00 46.19 43.00 3ddr s LEU 358 CO 0.56 -0.59 0.75 1.07 -1.32 0.00 0.00 176.35 176.81 3ddr n THR 359 N 4.03 0.00 -3.58 3.68 5.66 -1.00 -5.01 114.28 118.06 3ddr n THR 359 Ca 0.11 -0.72 -0.38 0.00 -3.05 0.00 0.00 64.05 60.01 3ddr n THR 359 Cb 0.44 0.78 -0.06 0.00 -1.55 0.00 0.00 70.33 69.94 3ddr n THR 359 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ddr s ASN 360 N -2.87 6.69 -0.02 1.09 4.22 -1.26 -2.05 114.94 120.73 3ddr s ASN 360 Ca 0.16 0.82 0.20 0.00 -2.14 0.00 0.00 52.86 51.89 3ddr s ASN 360 Cb -0.04 -2.21 -0.28 0.00 1.28 0.00 0.00 41.25 40.00 3ddr s ASN 360 CO 0.08 0.31 0.57 0.18 -2.04 0.00 0.00 177.10 176.20 3ddr n LEU 361 N 2.06 0.29 0.00 3.54 4.77 -0.28 -4.97 117.00 122.41 3ddr n LEU 361 Ca -0.15 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.67 3ddr n LEU 361 Cb 0.53 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.62 3ddr n LEU 361 CO 0.36 0.07 0.00 0.61 -1.33 0.00 0.00 177.39 177.11 3ddr n GLY 362 N 1.39 0.06 0.33 -0.72 0.00 -1.26 -4.92 105.19 100.06 3ddr n GLY 362 Ca -0.01 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.24 3ddr n GLY 362 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 3ddr n THR 363 N -0.20 0.00 -4.98 2.61 -1.04 -1.26 -5.01 114.28 104.40 3ddr n THR 363 Ca 0.00 0.00 -0.27 0.00 -2.04 0.00 0.00 64.05 61.74 3ddr n THR 363 Cb 0.00 -0.43 -0.16 0.00 -1.82 0.00 0.00 70.33 67.92 3ddr n THR 363 CO 0.00 0.00 0.00 -0.13 -0.64 0.00 0.00 175.07 174.30 3ddr s ARG 364 N -1.62 1.89 0.74 -2.82 0.52 -1.26 -5.06 118.95 111.33 3ddr s ARG 364 Ca 0.00 -0.71 -0.16 0.00 -0.52 0.00 0.00 55.73 54.34 3ddr s ARG 364 Cb 0.00 -1.69 -0.06 0.00 0.52 0.00 0.00 34.95 33.72 3ddr s ARG 364 CO 0.00 0.34 0.30 -2.30 0.02 0.00 0.00 175.30 173.66 3ddr n PRO 365 N 2.90 0.19 -2.35 3.54 -0.02 -1.26 -4.35 135.00 133.65 3ddr n PRO 365 Ca -0.17 0.10 -0.42 0.00 -2.02 0.00 0.00 63.50 60.98 3ddr n PRO 365 Cb 0.53 -1.64 -0.03 0.00 -0.02 0.00 0.00 33.50 32.34 3ddr n PRO 365 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 3ddr s PRO 366 N -2.51 4.30 1.29 0.52 0.02 -1.26 -5.16 135.00 132.20 3ddr s PRO 366 Ca 0.61 1.80 -0.21 0.00 0.02 0.00 0.00 61.00 63.23 3ddr s PRO 366 Cb -0.34 -3.60 0.32 0.00 0.02 0.00 0.00 34.50 30.89 3ddr s PRO 366 CO 0.62 -0.54 1.04 0.71 -0.33 0.00 0.00 177.00 178.50 3ddr s TYR 367 N 2.51 0.06 -0.01 6.54 2.02 -1.26 -4.90 117.35 122.32 3ddr s TYR 367 Ca 0.59 0.53 0.01 0.00 -0.37 0.00 0.00 57.07 57.83 3ddr s TYR 367 Cb -0.27 -3.25 -0.00 0.00 -0.40 0.00 0.00 41.96 38.04 3ddr s TYR 367 CO 0.23 -4.30 -0.04 -2.00 -1.57 0.00 0.00 175.55 167.87 3ddr s GLU 368 N -5.28 0.35 -0.31 -0.62 2.56 -1.26 -4.93 118.70 109.21 3ddr s GLU 368 Ca 0.70 -0.13 -0.15 0.00 0.00 0.00 0.00 54.97 55.39 3ddr s GLU 368 Cb -0.11 -0.35 -0.02 0.00 2.00 0.00 0.00 34.13 35.65 3ddr s GLU 368 CO 0.57 0.07 0.37 -1.17 -0.56 0.00 0.00 175.26 174.54 3ddr s LEU 369 N -0.00 4.24 0.00 2.70 2.96 -1.26 -1.13 118.68 126.19 3ddr s LEU 369 Ca 0.00 0.01 0.00 0.00 -0.22 0.00 0.00 54.13 53.93 3ddr s LEU 369 Cb -0.03 -2.39 0.00 0.00 0.50 0.00 0.00 46.19 44.27 3ddr s LEU 369 CO -0.00 -0.28 0.00 0.61 -1.32 0.00 0.00 176.35 175.36 3ddr n GLY 370 N 4.84 3.69 2.94 7.98 0.00 -0.87 -4.68 105.19 119.08 3ddr n GLY 370 Ca -0.09 -0.29 -0.14 0.00 0.00 0.00 0.00 46.02 45.51 3ddr n GLY 370 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 3ddr s TRP 371 N -0.26 0.30 0.31 1.61 0.51 -1.26 -2.37 118.94 117.78 3ddr s TRP 371 Ca 0.00 -0.11 0.06 0.00 -2.12 0.00 0.00 56.10 53.93 3ddr s TRP 371 Cb 0.00 -0.20 -0.01 0.00 -0.81 0.00 0.00 33.47 32.45 3ddr s TRP 371 CO 0.00 -0.02 0.44 0.15 -0.51 0.00 0.00 176.95 177.01 3ddr s LYS 372 N -0.25 3.18 -0.37 4.98 1.02 -1.26 -4.94 119.74 122.09 3ddr s LYS 372 Ca -0.00 -0.97 -0.10 0.00 0.02 0.00 0.00 55.97 54.92 3ddr s LYS 372 Cb -0.02 -2.83 0.03 0.00 -0.52 0.00 0.00 37.83 34.50 3ddr s LYS 372 CO -0.00 0.14 0.19 0.50 -0.92 0.00 0.00 175.35 175.26 3ddr s ARG 373 N -4.13 2.76 0.41 1.68 3.52 -1.26 -0.18 118.95 121.75 3ddr s ARG 373 Ca 0.42 -1.12 0.22 0.00 -0.13 0.00 0.00 55.73 55.12 3ddr s ARG 373 Cb -0.09 -3.68 0.34 0.00 -1.56 0.00 0.00 34.95 29.96 3ddr s ARG 373 CO 0.30 -0.71 1.60 1.79 -0.81 0.00 0.00 175.30 177.47 3ddr h THR 374 N 5.95 0.20 0.00 4.11 1.35 -1.39 -3.47 112.91 119.66 3ddr h THR 374 Ca -0.25 -1.24 0.00 0.00 -0.55 0.00 0.00 66.41 64.37 3ddr h THR 374 Cb 1.10 2.06 0.00 0.00 -1.73 0.00 0.00 68.15 69.58 3ddr h THR 374 CO 0.66 0.11 0.00 0.61 -0.25 0.00 0.00 175.52 176.65 3ddr n GLY 375 N 1.05 -0.54 2.99 5.82 0.00 -1.18 -0.80 105.19 112.54 3ddr n GLY 375 Ca 0.03 -0.80 -0.12 0.00 0.00 0.00 0.00 46.02 45.14 3ddr n GLY 375 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ddr s TYR 376 N -3.05 -0.05 -0.07 1.61 5.04 -0.48 0.55 117.35 120.90 3ddr s TYR 376 Ca 0.00 0.14 0.04 0.00 -2.44 0.00 0.00 57.07 54.81 3ddr s TYR 376 Cb 0.00 0.00 -0.00 0.00 0.35 0.00 0.00 41.96 42.31 3ddr s TYR 376 CO 0.00 -0.10 -0.21 0.99 -1.34 0.00 0.00 175.55 174.89 3ddr s THR 377 N -0.29 1.77 -0.12 4.34 2.01 0.83 -1.13 115.64 123.04 3ddr s THR 377 Ca -0.04 -0.88 0.01 0.00 0.31 0.00 0.00 61.69 61.09 3ddr s THR 377 Cb -0.03 -1.53 0.02 0.00 0.01 0.00 0.00 72.50 70.98 3ddr s THR 377 CO 0.00 0.50 -0.14 -0.62 -0.69 0.00 0.00 174.62 173.67 3ddr s ASP 378 N 0.16 2.46 -0.09 3.53 -1.08 -0.23 -1.46 116.67 119.95 3ddr s ASP 378 Ca -0.10 -0.42 0.03 0.00 -0.52 0.00 0.00 52.55 51.54 3ddr s ASP 378 Cb -0.15 -1.07 0.01 0.00 -1.46 0.00 0.00 42.92 40.25 3ddr s ASP 378 CO 0.05 -0.03 -0.19 -0.69 0.52 0.00 0.00 175.17 174.83 3ddr s VAL 379 N 1.26 1.68 -0.20 1.11 1.01 0.86 -0.48 120.40 125.64 3ddr s VAL 379 Ca -0.01 -0.79 -0.05 0.00 0.00 0.00 0.00 61.98 61.13 3ddr s VAL 379 Cb -0.14 -1.48 -0.02 0.00 0.00 0.00 0.00 36.38 34.73 3ddr s VAL 379 CO -0.06 0.48 -0.01 -0.04 0.00 0.00 0.00 175.10 175.47 3ddr s MET 380 N 0.55 3.61 -0.22 2.72 -1.94 -0.56 -0.37 119.30 123.08 3ddr s MET 380 Ca -0.15 -0.53 0.01 0.00 -1.71 0.00 0.00 55.69 53.31 3ddr s MET 380 Cb -0.17 -3.06 0.04 0.00 2.01 0.00 0.00 34.83 33.65 3ddr s MET 380 CO 0.05 0.02 -0.14 0.00 -0.01 0.00 0.00 175.02 174.95 3ddr s ALA 381 N 0.96 2.49 -0.07 3.03 0.00 -0.57 -0.38 121.76 127.22 3ddr s ALA 381 Ca 0.01 -1.48 0.03 0.00 0.00 0.00 0.00 51.96 50.52 3ddr s ALA 381 Cb -0.14 -1.43 -0.02 0.00 0.00 0.00 0.00 23.12 21.53 3ddr s ALA 381 CO 0.02 -0.77 -0.14 1.03 0.00 0.00 0.00 175.76 175.90 3ddr s ARG 382 N 1.22 2.74 -0.04 0.00 0.52 -0.52 -1.00 118.95 121.87 3ddr s ARG 382 Ca -0.01 -0.69 0.02 0.00 -0.52 0.00 0.00 55.73 54.52 3ddr s ARG 382 Cb -0.16 -2.45 0.01 0.00 0.52 0.00 0.00 34.95 32.87 3ddr s ARG 382 CO -0.08 0.51 -0.08 -0.80 0.02 0.00 0.00 175.30 174.87 3ddr s ASN 383 N -0.44 1.22 -0.02 0.23 0.01 0.12 -0.29 114.94 115.77 3ddr s ASN 383 Ca 0.05 -0.19 0.00 0.00 -0.71 0.00 0.00 52.86 52.01 3ddr s ASN 383 Cb -0.12 -0.45 0.03 0.00 0.41 0.00 0.00 41.25 41.11 3ddr s ASN 383 CO 0.02 0.02 0.02 0.00 -1.51 0.00 0.00 177.10 175.66 3ddr s ALA 384 N 0.49 0.10 -0.02 0.60 0.00 -0.52 -0.51 121.76 121.90 3ddr s ALA 384 Ca -0.08 0.26 -0.03 0.00 0.00 0.00 0.00 51.96 52.11 3ddr s ALA 384 Cb -0.12 -0.23 0.00 0.00 0.00 0.00 0.00 23.12 22.77 3ddr s ALA 384 CO 0.01 -0.09 0.07 0.00 0.00 0.00 0.00 175.76 175.74 3ddr s ALA 385 N 0.96 -0.15 -0.27 0.00 0.00 0.11 -0.65 121.76 121.77 3ddr s ALA 385 Ca -0.08 0.02 0.02 0.00 0.00 0.00 0.00 51.96 51.91 3ddr s ALA 385 Cb -0.12 -0.04 0.06 0.00 0.00 0.00 0.00 23.12 23.02 3ddr s ALA 385 CO -0.03 -0.08 -0.09 0.12 0.00 0.00 0.00 175.76 175.68 3ddr s PHE 386 N -0.44 3.25 -0.04 0.00 5.36 0.30 -0.08 117.98 126.33 3ddr s PHE 386 Ca -0.05 -2.18 -0.02 0.00 -0.96 0.00 0.00 56.93 53.72 3ddr s PHE 386 Cb -0.03 -1.97 -0.04 0.00 -0.34 0.00 0.00 43.02 40.64 3ddr s PHE 386 CO 0.00 -0.86 0.07 -0.51 -1.46 0.00 0.00 175.22 172.47 3ddr s ASP 387 N 1.15 5.71 -0.02 6.13 1.01 0.67 -1.84 116.67 129.47 3ddr s ASP 387 Ca -0.07 0.20 -0.00 0.00 0.71 0.00 0.00 52.55 53.39 3ddr s ASP 387 Cb -0.20 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.08 3ddr s ASP 387 CO -0.04 0.32 0.04 -0.47 0.21 0.00 0.00 175.17 175.23 3ddr s TYR 388 N -1.10 0.00 0.06 4.23 5.04 -0.75 -0.53 117.35 124.31 3ddr s TYR 388 Ca 0.19 0.15 0.05 0.00 -2.44 0.00 0.00 57.07 55.02 3ddr s TYR 388 Cb -0.12 -0.17 -0.03 0.00 0.35 0.00 0.00 41.96 41.99 3ddr s TYR 388 CO 0.10 -0.08 -0.15 -1.54 -1.34 0.00 0.00 175.55 172.54 3ddr s SER 389 N 0.87 1.78 -0.30 4.32 1.04 -0.69 -0.37 113.70 120.35 3ddr s SER 389 Ca -0.07 -0.55 -0.03 0.00 0.48 0.00 0.00 55.95 55.77 3ddr s SER 389 Cb -0.10 -0.09 0.11 0.00 0.10 0.00 0.00 66.02 66.04 3ddr s SER 389 CO -0.03 -0.01 0.14 -0.22 0.98 0.00 0.00 173.24 174.11 3ddr s LEU 390 N -1.48 0.62 -0.53 2.42 2.96 0.35 -2.12 118.68 120.90 3ddr s LEU 390 Ca 0.01 -1.42 0.07 0.00 -0.22 0.00 0.00 54.13 52.56 3ddr s LEU 390 Cb -0.09 -0.36 0.27 0.00 0.50 0.00 0.00 46.19 46.51 3ddr s LEU 390 CO 0.02 -0.42 0.72 0.00 -1.32 0.00 0.00 176.35 175.35 3ddr n ALA 391 N 5.07 3.51 -1.68 5.97 0.00 -0.83 -2.23 120.51 130.32 3ddr n ALA 391 Ca -0.03 -4.24 -0.46 0.00 0.00 0.00 0.00 53.44 48.71 3ddr n ALA 391 Cb 0.41 -0.85 -0.04 0.00 0.00 0.00 0.00 19.45 18.97 3ddr n ALA 391 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 3ddr n PRO 392 N 0.77 2.42 -1.72 0.00 -0.02 -1.26 -4.16 135.00 131.03 3ddr n PRO 392 Ca 0.27 0.88 -0.43 0.00 -2.02 0.00 0.00 63.50 62.20 3ddr n PRO 392 Cb 0.47 -2.74 -0.03 0.00 -0.02 0.00 0.00 33.50 31.18 3ddr n PRO 392 CO 0.00 0.00 0.00 -0.85 1.98 0.00 0.00 175.50 176.63 3ddr n GLU 393 N 5.83 2.60 -0.08 -0.52 0.28 -1.26 -2.05 120.64 125.44 3ddr n GLU 393 Ca 0.20 0.93 0.00 0.00 -0.16 0.00 0.00 57.16 58.13 3ddr n GLU 393 Cb 0.33 -2.73 0.00 0.00 1.43 0.00 0.00 31.44 30.47 3ddr n GLU 393 CO 0.00 0.00 0.00 -0.25 -0.16 0.00 0.00 177.13 176.72 3ddr n ASP 394 N 3.15 0.00 -4.44 -1.84 8.00 -1.26 -5.00 116.55 115.15 3ddr n ASP 394 Ca 0.13 0.00 -0.44 0.00 0.71 0.00 0.00 54.79 55.20 3ddr n ASP 394 Cb 0.34 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.36 3ddr n ASP 394 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 3ddr s VAL 395 N -2.63 5.19 0.05 2.53 1.01 -0.87 -4.95 120.40 120.72 3ddr s VAL 395 Ca 0.00 -0.71 -0.01 0.00 0.00 0.00 0.00 61.98 61.26 3ddr s VAL 395 Cb 0.00 -4.05 -0.27 0.00 0.00 0.00 0.00 36.38 32.07 3ddr s VAL 395 CO 0.00 -0.46 1.03 0.44 0.00 0.00 0.00 175.10 176.11 3ddr h ASP 396 N 8.72 0.31 0.00 3.32 3.32 -1.85 -3.11 116.42 127.14 3ddr h ASP 396 Ca -0.27 -0.38 0.00 0.00 0.02 0.00 0.00 57.03 56.39 3ddr h ASP 396 Cb 1.11 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.56 3ddr h ASP 396 CO 0.81 1.31 0.00 -2.67 -1.72 0.00 0.00 179.24 176.97 3ddr n TRP 397 N -3.44 0.00 -3.69 4.55 4.27 -1.26 -2.09 117.44 115.79 3ddr n TRP 397 Ca -0.10 0.00 -0.30 0.00 -3.89 0.00 0.00 57.50 53.21 3ddr n TRP 397 Cb 1.02 0.00 -0.13 0.00 -1.36 0.00 0.00 31.31 30.83 3ddr n TRP 397 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3ddr s LEU 398 N -1.54 2.33 -0.48 5.67 2.96 -1.17 -4.59 118.68 121.86 3ddr s LEU 398 Ca 0.21 -2.27 0.03 0.00 -0.22 0.00 0.00 54.13 51.88 3ddr s LEU 398 Cb 0.10 -0.90 0.16 0.00 0.50 0.00 0.00 46.19 46.05 3ddr s LEU 398 CO 0.17 -0.32 0.34 -0.62 -1.32 0.00 0.00 176.35 174.59 3ddr s ASP 399 N 0.82 2.90 -0.08 3.68 2.15 -1.12 -4.06 116.67 120.96 3ddr s ASP 399 Ca 0.15 -3.04 -0.03 0.00 0.43 0.00 0.00 52.55 50.06 3ddr s ASP 399 Cb -0.22 -0.85 -0.04 0.00 -0.30 0.00 0.00 42.92 41.52 3ddr s ASP 399 CO -0.07 -0.19 0.08 0.12 -0.17 0.00 0.00 175.17 174.94 3ddr s PHE 400 N -0.10 3.36 0.04 -5.34 5.36 -0.95 -1.50 117.98 118.87 3ddr s PHE 400 Ca 0.26 0.33 -0.06 0.00 -0.96 0.00 0.00 56.93 56.50 3ddr s PHE 400 Cb -0.08 -1.84 -0.01 0.00 -0.34 0.00 0.00 43.02 40.75 3ddr s PHE 400 CO -0.12 0.59 0.10 1.14 -1.46 0.00 0.00 175.22 175.47 3ddr s GLN 401 N -1.15 0.61 0.06 10.12 -2.07 -0.37 -0.49 119.66 126.36 3ddr s GLN 401 Ca 0.16 -0.80 -0.15 0.00 -1.82 0.00 0.00 55.36 52.75 3ddr s GLN 401 Cb -0.12 0.24 0.03 0.00 -1.09 0.00 0.00 33.01 32.07 3ddr s GLN 401 CO 0.06 -0.16 0.34 0.00 -1.32 0.00 0.00 175.29 174.22 3ddr s ALA 402 N -2.81 -0.78 -0.11 2.60 0.00 0.51 -1.59 121.76 119.58 3ddr s ALA 402 Ca -0.03 0.04 -0.09 0.00 0.00 0.00 0.00 51.96 51.88 3ddr s ALA 402 Cb 0.00 0.40 0.03 0.00 0.00 0.00 0.00 23.12 23.55 3ddr s ALA 402 CO -0.05 -0.47 0.27 0.21 0.00 0.00 0.00 175.76 175.72 3ddr s LYS 403 N -2.83 0.30 -0.12 0.00 2.20 0.41 -1.80 119.74 117.91 3ddr s LYS 403 Ca -0.03 0.43 0.01 0.00 -0.36 0.00 0.00 55.97 56.02 3ddr s LYS 403 Cb 0.00 0.10 0.02 0.00 -1.51 0.00 0.00 37.83 36.44 3ddr s LYS 403 CO -0.05 -0.07 -0.13 -0.51 -0.36 0.00 0.00 175.35 174.23 3ddr s LEU 404 N 0.41 1.62 0.05 5.43 1.02 -0.77 -1.21 118.68 125.23 3ddr s LEU 404 Ca -0.02 -0.42 -0.03 0.00 0.02 0.00 0.00 54.13 53.68 3ddr s LEU 404 Cb -0.04 -1.06 -0.03 0.00 0.02 0.00 0.00 46.19 45.08 3ddr s LEU 404 CO -0.02 -0.03 0.02 -0.72 0.02 0.00 0.00 176.35 175.63 3ddr s TYR 405 N 1.24 0.41 -0.05 0.29 -0.85 -0.26 -0.54 117.35 117.58 3ddr s TYR 405 Ca -0.02 -0.89 -0.01 0.00 -0.52 0.00 0.00 57.07 55.63 3ddr s TYR 405 Cb -0.14 -0.29 0.03 0.00 0.38 0.00 0.00 41.96 41.93 3ddr s TYR 405 CO -0.05 -0.40 0.00 -0.47 -1.52 0.00 0.00 175.55 173.12 3ddr s TYR 406 N -3.63 0.48 -0.12 -3.49 6.14 0.18 -0.88 117.35 116.03 3ddr s TYR 406 Ca 0.04 -0.06 0.03 0.00 0.64 0.00 0.00 57.07 57.73 3ddr s TYR 406 Cb 0.05 -0.61 0.00 0.00 0.42 0.00 0.00 41.96 41.83 3ddr s TYR 406 CO -0.09 -0.23 -0.23 0.08 0.64 0.00 0.00 175.55 175.72 3ddr s VAL 407 N 1.57 2.03 -0.43 3.14 1.01 0.00 -1.44 120.40 126.28 3ddr s VAL 407 Ca -0.02 -0.99 0.02 0.00 0.00 0.00 0.00 61.98 61.00 3ddr s VAL 407 Cb -0.13 -1.77 0.14 0.00 0.00 0.00 0.00 36.38 34.62 3ddr s VAL 407 CO -0.03 0.55 0.26 -0.62 0.00 0.00 0.00 175.10 175.26 3ddr s ASP 408 N 0.55 3.14 -0.19 3.32 2.15 0.60 -0.09 116.67 126.16 3ddr s ASP 408 Ca -0.14 -2.65 -0.06 0.00 0.43 0.00 0.00 52.55 50.13 3ddr s ASP 408 Cb -0.17 -0.78 -0.03 0.00 -0.30 0.00 0.00 42.92 41.64 3ddr s ASP 408 CO 0.04 -0.25 0.03 0.28 -0.17 0.00 0.00 175.17 175.10 3ddr s THR 409 N 0.40 4.37 -0.06 1.71 -1.32 -0.69 -1.44 115.64 118.62 3ddr s THR 409 Ca 0.21 -0.18 0.01 0.00 -1.21 0.00 0.00 61.69 60.52 3ddr s THR 409 Cb -0.18 -2.97 0.02 0.00 -1.51 0.00 0.00 72.50 67.86 3ddr s THR 409 CO -0.04 0.44 -0.05 -1.58 -2.21 0.00 0.00 174.62 171.18 3ddr s GLN 410 N 0.67 0.96 -0.22 7.08 0.74 0.49 -1.02 119.66 128.36 3ddr s GLN 410 Ca 0.01 -0.12 -0.06 0.00 0.05 0.00 0.00 55.36 55.24 3ddr s GLN 410 Cb -0.14 -0.99 -0.03 0.00 1.10 0.00 0.00 33.01 32.96 3ddr s GLN 410 CO 0.02 -0.11 0.03 0.34 -0.55 0.00 0.00 175.29 175.02 3ddr s ASP 411 N 1.10 4.99 -0.35 6.67 -1.08 0.95 -1.50 116.67 127.45 3ddr s ASP 411 Ca -0.08 -0.19 -0.03 0.00 -0.52 0.00 0.00 52.55 51.73 3ddr s ASP 411 Cb -0.14 -1.87 0.07 0.00 -1.46 0.00 0.00 42.92 39.52 3ddr s ASP 411 CO -0.01 0.03 0.09 -1.81 0.52 0.00 0.00 175.17 173.99 3ddr s ASP 412 N 1.22 5.08 -0.13 -0.34 1.01 0.37 -0.50 116.67 123.38 3ddr s ASP 412 Ca 0.04 -1.57 0.02 0.00 0.71 0.00 0.00 52.55 51.75 3ddr s ASP 412 Cb -0.14 -1.78 0.01 0.00 1.01 0.00 0.00 42.92 42.02 3ddr s ASP 412 CO 0.02 -0.38 -0.20 -0.44 0.21 0.00 0.00 175.17 174.38 3ddr s SER 413 N 1.49 2.89 -0.05 0.27 0.01 -0.84 -1.07 113.70 116.39 3ddr s SER 413 Ca 0.01 -0.54 -0.18 0.00 1.31 0.00 0.00 55.95 56.54 3ddr s SER 413 Cb -0.21 -1.33 -0.05 0.00 0.21 0.00 0.00 66.02 64.64 3ddr s SER 413 CO -0.02 0.07 0.50 -1.81 0.41 0.00 0.00 173.24 172.39 3ddr s ASP 414 N 0.82 6.81 -0.37 2.44 1.11 -0.29 -1.00 116.67 126.20 3ddr s ASP 414 Ca -0.08 0.97 -0.04 0.00 0.18 0.00 0.00 52.55 53.58 3ddr s ASP 414 Cb -0.16 -2.31 0.08 0.00 1.07 0.00 0.00 42.92 41.60 3ddr s ASP 414 CO -0.01 0.11 0.14 -0.89 1.18 0.00 0.00 175.17 175.70 3ddr s THR 415 N -0.04 3.46 0.53 -1.27 2.01 0.27 -1.38 115.64 119.23 3ddr s THR 415 Ca 0.27 -1.59 -0.22 0.00 0.31 0.00 0.00 61.69 60.46 3ddr s THR 415 Cb -0.17 -3.15 -0.05 0.00 0.01 0.00 0.00 72.50 69.15 3ddr s THR 415 CO 0.13 -0.41 1.31 -0.31 -0.69 0.00 0.00 174.62 174.66 3ddr s TYR 416 N 1.27 2.40 0.30 4.92 4.12 0.02 -1.79 117.35 128.58 3ddr s TYR 416 Ca 0.02 1.42 -0.29 0.00 0.02 0.00 0.00 57.07 58.23 3ddr s TYR 416 Cb -0.21 -3.70 -0.10 0.00 -1.52 0.00 0.00 41.96 36.42 3ddr s TYR 416 CO -0.01 -2.60 1.31 -1.54 0.02 0.00 0.00 175.55 172.73 3ddr s SER 417 N -1.08 6.80 0.31 2.29 1.04 -1.26 -4.75 113.70 117.05 3ddr s SER 417 Ca 0.71 2.62 0.07 0.00 0.48 0.00 0.00 55.95 59.83 3ddr s SER 417 Cb -0.38 -2.64 0.50 0.00 0.10 0.00 0.00 66.02 63.61 3ddr s SER 417 CO 0.44 -0.53 1.74 0.71 0.98 0.00 0.00 173.24 176.58 3ddr h THR 418 N 3.20 1.29 -4.43 2.02 1.35 -1.92 -3.43 112.91 110.98 3ddr h THR 418 Ca -0.48 -1.39 -0.70 0.00 -0.55 0.00 0.00 66.41 63.29 3ddr h THR 418 Cb 1.22 1.60 -0.29 0.00 -1.73 0.00 0.00 68.15 68.95 3ddr h THR 418 CO 0.69 0.42 -0.87 -0.94 -0.25 0.00 0.00 175.52 174.57 3ddr s SER 419 N -6.87 3.24 0.00 5.36 1.04 -1.26 -5.00 113.70 110.21 3ddr s SER 419 Ca -0.05 -0.42 0.17 0.00 0.48 0.00 0.00 55.95 56.13 3ddr s SER 419 Cb 0.14 -0.49 0.82 0.00 0.10 0.00 0.00 66.02 66.59 3ddr s SER 419 CO 0.77 0.32 1.53 -1.54 0.98 0.00 0.00 173.24 175.29 3ddr n SER 420 N 2.48 0.00 -0.46 7.02 3.41 -1.26 -1.47 113.62 123.34 3ddr n SER 420 Ca -0.16 0.21 0.12 0.00 -0.26 0.00 0.00 58.87 58.77 3ddr n SER 420 Cb 0.51 -0.36 0.08 0.00 -0.26 0.00 0.00 64.21 64.18 3ddr n SER 420 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3ddr n LEU 421 N -1.36 1.85 0.00 1.04 4.77 -1.26 -4.97 117.00 117.06 3ddr n LEU 421 Ca 0.07 -0.66 -0.29 0.00 -0.03 0.00 0.00 56.01 55.10 3ddr n LEU 421 Cb 0.16 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.19 3ddr n LEU 421 CO 0.14 0.34 -0.10 0.18 -1.33 0.00 0.00 177.39 176.62 3ddr n LEU 422 N -0.11 0.00 -1.11 2.23 7.99 -0.54 -5.06 117.00 120.40 3ddr n LEU 422 Ca 0.10 -2.92 0.05 0.00 -0.01 0.00 0.00 56.01 53.23 3ddr n LEU 422 Cb 0.45 0.18 0.10 0.00 -0.11 0.00 0.00 43.42 44.03 3ddr n LEU 422 CO 0.27 -0.49 0.19 -0.67 -1.51 0.00 0.00 177.39 175.18 3ddr n ASP 423 N -1.53 1.29 -0.90 -1.43 2.03 -1.26 -4.87 116.55 109.88 3ddr n ASP 423 Ca -0.12 -2.79 -0.01 0.00 0.52 0.00 0.00 54.79 52.39 3ddr n ASP 423 Cb 0.61 -0.39 0.02 0.00 -0.72 0.00 0.00 41.12 40.63 3ddr n ASP 423 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 3ddr n ASN 424 N -0.18 2.42 -4.86 1.67 6.94 -1.26 -4.84 115.26 115.15 3ddr n ASN 424 Ca 0.11 -2.09 -0.31 0.00 -0.02 0.00 0.00 54.58 52.27 3ddr n ASN 424 Cb 0.95 -0.52 -0.02 0.00 -2.36 0.00 0.00 39.78 37.84 3ddr n ASN 424 CO 0.00 0.00 0.00 -0.83 -1.03 0.00 0.00 177.26 175.40 3ddr s GLY 425 N 0.52 1.91 0.06 4.83 0.00 -1.26 -4.58 107.32 108.79 3ddr s GLY 425 Ca 0.04 0.05 -0.24 0.00 0.00 0.00 0.00 44.72 44.56 3ddr s GLY 425 CO 0.01 0.31 0.56 -2.52 0.00 0.00 0.00 173.10 171.46 3ddr s TYR 426 N -2.79 -0.48 -0.10 1.90 -0.85 -0.74 -4.90 117.35 109.39 3ddr s TYR 426 Ca 0.57 0.54 -0.04 0.00 -0.52 0.00 0.00 57.07 57.62 3ddr s TYR 426 Cb -0.10 0.40 -0.04 0.00 0.38 0.00 0.00 41.96 42.60 3ddr s TYR 426 CO 0.39 -0.68 0.05 0.00 -1.52 0.00 0.00 175.55 173.79 3ddr s ALA 427 N -2.54 3.51 -0.06 9.51 0.00 -1.26 -0.56 121.76 130.35 3ddr s ALA 427 Ca -0.05 -0.74 -0.02 0.00 0.00 0.00 0.00 51.96 51.15 3ddr s ALA 427 Cb -0.01 -1.67 0.03 0.00 0.00 0.00 0.00 23.12 21.48 3ddr s ALA 427 CO -0.02 0.59 0.04 -0.08 0.00 0.00 0.00 175.76 176.29 3ddr s THR 428 N -0.92 0.10 -0.11 0.00 -1.32 -0.17 -1.72 115.64 111.51 3ddr s THR 428 Ca 0.14 0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.75 3ddr s THR 428 Cb -0.12 -0.35 -0.05 0.00 -1.51 0.00 0.00 72.50 70.47 3ddr s THR 428 CO 0.03 0.17 0.25 -0.60 -2.21 0.00 0.00 174.62 172.27 3ddr s ARG 429 N 2.08 3.89 -0.03 7.08 3.52 -0.71 -1.99 118.95 132.79 3ddr s ARG 429 Ca 0.05 0.07 -0.01 0.00 -0.13 0.00 0.00 55.73 55.71 3ddr s ARG 429 Cb -0.12 -3.29 0.03 0.00 -1.56 0.00 0.00 34.95 30.00 3ddr s ARG 429 CO -0.04 0.54 0.04 -0.08 -0.81 0.00 0.00 175.30 174.95 3ddr s THR 430 N -0.44 -0.06 -0.02 4.11 -1.32 0.34 -2.57 115.64 115.69 3ddr s THR 430 Ca 0.17 0.28 -0.01 0.00 -1.21 0.00 0.00 61.69 60.92 3ddr s THR 430 Cb -0.13 -0.12 0.01 0.00 -1.51 0.00 0.00 72.50 70.75 3ddr s THR 430 CO 0.06 0.12 0.04 -0.60 -2.21 0.00 0.00 174.62 172.03 3ddr s ARG 431 N 1.43 0.02 -0.12 7.08 3.52 -0.33 -0.04 118.95 130.51 3ddr s ARG 431 Ca -0.05 0.11 0.01 0.00 -0.13 0.00 0.00 55.73 55.68 3ddr s ARG 431 Cb -0.13 -0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.21 3ddr s ARG 431 CO -0.03 -0.06 -0.15 -1.17 -0.81 0.00 0.00 175.30 173.08 3ddr s LEU 432 N 0.39 1.71 -0.04 -0.88 2.96 -0.19 -1.70 118.68 120.93 3ddr s LEU 432 Ca -0.03 -0.44 0.01 0.00 -0.22 0.00 0.00 54.13 53.45 3ddr s LEU 432 Cb -0.04 -1.11 -0.03 0.00 0.50 0.00 0.00 46.19 45.51 3ddr s LEU 432 CO -0.01 0.00 -0.04 -0.13 -1.32 0.00 0.00 176.35 174.85 3ddr s ARG 433 N 1.08 2.76 -0.09 1.98 0.52 -0.82 -1.70 118.95 122.68 3ddr s ARG 433 Ca -0.04 -0.57 0.02 0.00 -0.52 0.00 0.00 55.73 54.62 3ddr s ARG 433 Cb -0.14 -2.63 0.01 0.00 0.52 0.00 0.00 34.95 32.71 3ddr s ARG 433 CO -0.03 0.65 -0.16 0.99 0.02 0.00 0.00 175.30 176.77 3ddr s THR 434 N -0.92 1.47 -0.32 0.02 2.01 0.87 -0.39 115.64 118.39 3ddr s THR 434 Ca 0.15 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.43 3ddr s THR 434 Cb -0.11 -1.33 0.02 0.00 0.01 0.00 0.00 72.50 71.09 3ddr s THR 434 CO 0.05 0.43 0.10 -0.31 -0.69 0.00 0.00 174.62 174.20 3ddr s TYR 435 N 0.80 3.20 0.05 4.92 1.51 -0.54 -0.82 117.35 126.47 3ddr s TYR 435 Ca -0.11 -1.16 0.09 0.00 -1.01 0.00 0.00 57.07 54.89 3ddr s TYR 435 Cb -0.16 -2.28 -0.03 0.00 -0.11 0.00 0.00 41.96 39.38 3ddr s TYR 435 CO 0.02 -0.65 -0.26 0.20 -1.11 0.00 0.00 175.55 173.75 3ddr s GLY 436 N 1.47 1.42 -0.09 0.71 0.00 -0.06 -1.04 107.32 109.73 3ddr s GLY 436 Ca 0.01 -1.27 -0.04 0.00 0.00 0.00 0.00 44.72 43.42 3ddr s GLY 436 CO 0.03 -1.15 0.21 0.00 0.00 0.00 0.00 173.10 172.19 3ddr s ALA 437 N -0.82 -0.46 0.02 3.20 0.00 0.10 -1.11 121.76 122.69 3ddr s ALA 437 Ca 0.12 0.89 -0.03 0.00 0.00 0.00 0.00 51.96 52.95 3ddr s ALA 437 Cb -0.10 -0.58 -0.01 0.00 0.00 0.00 0.00 23.12 22.43 3ddr s ALA 437 CO 0.02 -0.19 0.03 1.14 0.00 0.00 0.00 175.76 176.76 3ddr s GLN 438 N 1.25 0.38 -0.29 0.00 -2.07 -0.35 0.21 119.66 118.78 3ddr s GLN 438 Ca -0.09 -0.55 0.03 0.00 -1.82 0.00 0.00 55.36 52.92 3ddr s GLN 438 Cb -0.11 0.14 0.20 0.00 -1.09 0.00 0.00 33.01 32.15 3ddr s GLN 438 CO -0.08 -0.07 0.62 0.00 -1.32 0.00 0.00 175.29 174.44 3ddr s ALA 439 N -1.50 -2.44 0.36 2.60 0.00 -0.76 -0.44 121.76 119.57 3ddr s ALA 439 Ca -0.15 1.31 0.09 0.00 0.00 0.00 0.00 51.96 53.21 3ddr s ALA 439 Cb -0.09 -2.44 -0.05 0.00 0.00 0.00 0.00 23.12 20.54 3ddr s ALA 439 CO -0.00 -1.69 0.04 1.14 0.00 0.00 0.00 175.76 175.25 3ddr s GLN 440 N 2.85 2.11 -0.13 0.00 -2.07 -0.62 -2.59 119.66 119.21 3ddr s GLN 440 Ca 0.14 -1.78 -0.06 0.00 -1.82 0.00 0.00 55.36 51.84 3ddr s GLN 440 Cb -0.11 -1.93 0.06 0.00 -1.09 0.00 0.00 33.01 29.94 3ddr s GLN 440 CO -0.24 0.08 0.28 1.21 -1.32 0.00 0.00 175.29 175.30 3ddr s ASN 441 N -3.75 -0.06 -0.09 12.60 2.47 -0.19 -1.24 114.94 124.68 3ddr s ASN 441 Ca 0.36 0.61 -0.09 0.00 0.42 0.00 0.00 52.86 54.16 3ddr s ASN 441 Cb 0.01 0.60 -0.05 0.00 -1.45 0.00 0.00 41.25 40.37 3ddr s ASN 441 CO 0.20 -0.20 0.22 0.42 -3.72 0.00 0.00 177.10 174.02 3ddr s THR 442 N 1.77 5.36 -0.37 -5.21 -4.23 -0.56 -2.50 115.64 109.90 3ddr s THR 442 Ca -0.05 0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 3ddr s THR 442 Cb -0.11 -3.50 0.11 0.00 1.34 0.00 0.00 72.50 70.35 3ddr s THR 442 CO -0.09 0.60 0.14 -0.44 -0.54 0.00 0.00 174.62 174.29 3ddr s SER 443 N -0.99 4.07 0.30 3.99 0.01 0.18 -2.81 113.70 118.44 3ddr s SER 443 Ca 0.18 -2.12 -0.27 0.00 1.31 0.00 0.00 55.95 55.04 3ddr s SER 443 Cb -0.13 -1.11 -0.09 0.00 0.21 0.00 0.00 66.02 64.89 3ddr s SER 443 CO 0.07 -0.35 0.97 -0.13 0.41 0.00 0.00 173.24 174.21 3ddr s ARG 444 N 0.98 4.63 -0.15 12.44 0.52 -0.89 -2.32 118.95 134.16 3ddr s ARG 444 Ca 0.13 1.45 -0.30 0.00 -0.52 0.00 0.00 55.73 56.49 3ddr s ARG 444 Cb -0.20 -2.96 0.13 0.00 0.52 0.00 0.00 34.95 32.44 3ddr s ARG 444 CO -0.12 0.30 1.05 -0.59 0.02 0.00 0.00 175.30 175.95 3ddr s PHE 445 N -1.44 -0.29 0.17 -0.53 -0.12 -0.55 -4.13 117.98 111.10 3ddr s PHE 445 Ca 0.48 0.40 0.11 0.00 -0.05 0.00 0.00 56.93 57.86 3ddr s PHE 445 Cb -0.23 0.48 -0.04 0.00 -0.63 0.00 0.00 43.02 42.60 3ddr s PHE 445 CO 0.29 -0.33 -0.24 -1.12 -0.05 0.00 0.00 175.22 173.77 3ddr s SER 446 N -1.54 3.29 0.00 1.98 0.01 -1.26 -0.83 113.70 115.35 3ddr s SER 446 Ca 0.03 -0.83 0.00 0.00 1.31 0.00 0.00 55.95 56.46 3ddr s SER 446 Cb -0.01 -0.23 0.00 0.00 0.21 0.00 0.00 66.02 66.00 3ddr s SER 446 CO -0.03 0.11 0.58 0.18 0.41 0.00 0.00 173.24 174.50 3ddr n LEU 447 N 0.44 1.16 0.00 2.44 4.32 -1.05 -5.02 117.00 119.29 3ddr n LEU 447 Ca -0.14 -1.13 0.00 0.00 -0.02 0.00 0.00 56.01 54.72 3ddr n LEU 447 Cb 0.55 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.35 3ddr n LEU 447 CO 0.28 0.29 0.00 0.00 -1.22 0.00 0.00 177.39 176.73 3ddr n ALA 448 N -0.04 0.00 0.23 -1.18 0.00 -1.26 -4.98 120.51 113.28 3ddr n ALA 448 Ca 0.00 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.52 3ddr n ALA 448 Cb 0.04 0.00 0.20 0.00 0.00 0.00 0.00 19.45 19.69 3ddr n ALA 448 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3ddr h PRO 449 N 0.00 0.00 0.00 0.00 0.11 -2.05 0.73 132.00 130.79 3ddr h PRO 449 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 3ddr h PRO 449 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 3ddr h PRO 449 CO 0.00 0.00 -0.09 0.41 -0.21 0.00 0.00 178.00 178.11 3ddr n GLY 450 N -1.50 -1.56 3.27 -0.55 0.00 -1.26 -5.02 105.19 98.57 3ddr n GLY 450 Ca 0.04 -0.03 -0.44 0.00 0.00 0.00 0.00 46.02 45.59 3ddr n GLY 450 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ddr s HIS 451 N -0.18 3.42 -0.16 1.61 3.76 0.25 -3.23 115.29 120.76 3ddr s HIS 451 Ca 0.01 -1.71 -0.10 0.00 -0.15 0.00 0.00 55.06 53.11 3ddr s HIS 451 Cb 0.01 -3.68 -0.05 0.00 1.11 0.00 0.00 32.58 29.97 3ddr s HIS 451 CO 0.00 -0.99 0.17 -0.51 -0.85 0.00 0.00 174.74 172.55 3ddr s ASP 452 N 2.83 6.32 -0.02 1.40 1.01 -1.03 -2.53 116.67 124.65 3ddr s ASP 452 Ca 0.08 0.36 0.08 0.00 0.71 0.00 0.00 52.55 53.78 3ddr s ASP 452 Cb -0.24 -2.10 -0.02 0.00 1.01 0.00 0.00 42.92 41.57 3ddr s ASP 452 CO -0.01 0.24 -0.25 -0.36 0.21 0.00 0.00 175.17 175.00 3ddr s PHE 453 N -0.07 2.29 -0.13 4.23 0.40 -0.01 -0.13 117.98 124.55 3ddr s PHE 453 Ca 0.12 -0.47 0.02 0.00 -0.60 0.00 0.00 56.93 56.00 3ddr s PHE 453 Cb -0.12 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 41.95 3ddr s PHE 453 CO 0.01 -0.06 -0.19 0.50 0.70 0.00 0.00 175.22 176.17 3ddr s ARG 454 N -0.53 2.73 -0.14 0.44 3.52 -0.83 -1.48 118.95 122.66 3ddr s ARG 454 Ca 0.08 -0.75 -0.02 0.00 -0.13 0.00 0.00 55.73 54.92 3ddr s ARG 454 Cb -0.10 -2.26 -0.02 0.00 -1.56 0.00 0.00 34.95 31.01 3ddr s ARG 454 CO -0.00 -0.05 -0.09 0.00 -0.81 0.00 0.00 175.30 174.35 3ddr s ALA 455 N 0.92 2.80 -0.15 6.12 0.00 -0.98 -0.97 121.76 129.50 3ddr s ALA 455 Ca -0.06 -0.86 -0.01 0.00 0.00 0.00 0.00 51.96 51.03 3ddr s ALA 455 Cb -0.15 -1.35 0.04 0.00 0.00 0.00 0.00 23.12 21.66 3ddr s ALA 455 CO -0.03 0.26 -0.02 1.21 0.00 0.00 0.00 175.76 177.18 3ddr s ASN 456 N 0.28 2.56 0.07 0.00 2.47 0.11 0.50 114.94 120.93 3ddr s ASN 456 Ca -0.07 -0.57 0.01 0.00 0.42 0.00 0.00 52.86 52.65 3ddr s ASN 456 Cb -0.15 -0.72 -0.04 0.00 -1.45 0.00 0.00 41.25 38.89 3ddr s ASN 456 CO 0.04 -0.22 -0.05 -0.72 -3.72 0.00 0.00 177.10 172.43 3ddr s TYR 457 N 1.77 0.73 -2.73 0.43 1.13 -1.04 0.13 117.35 117.76 3ddr s TYR 457 Ca 0.01 -0.91 0.00 0.00 -1.41 0.00 0.00 57.07 54.76 3ddr s TYR 457 Cb -0.15 -0.45 0.00 0.00 -1.10 0.00 0.00 41.96 40.26 3ddr s TYR 457 CO -0.07 -0.22 0.00 0.41 -2.51 0.00 0.00 175.55 173.16 3ddr n GLY 458 N 0.21 -0.77 3.33 5.49 0.00 -0.81 -1.02 105.19 111.62 3ddr n GLY 458 Ca -0.14 -0.93 -0.13 0.00 0.00 0.00 0.00 46.02 44.82 3ddr n GLY 458 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3ddr s LEU 459 N 0.00 0.33 0.15 0.99 0.05 -1.07 -2.00 118.68 117.13 3ddr s LEU 459 Ca 0.00 0.88 0.10 0.00 0.05 0.00 0.00 54.13 55.16 3ddr s LEU 459 Cb 0.00 1.50 -0.04 0.00 -2.05 0.00 0.00 46.19 45.60 3ddr s LEU 459 CO 0.00 -0.15 -0.21 -0.70 -0.55 0.00 0.00 176.35 174.73 3ddr s GLU 460 N 0.23 1.63 -0.13 1.48 2.12 -0.59 -1.83 118.70 121.61 3ddr s GLU 460 Ca -0.00 -1.34 -0.06 0.00 0.36 0.00 0.00 54.97 53.93 3ddr s GLU 460 Cb -0.03 -1.98 0.06 0.00 0.26 0.00 0.00 34.13 32.44 3ddr s GLU 460 CO 0.01 0.44 0.30 0.12 -0.54 0.00 0.00 175.26 175.59 3ddr s PHE 461 N -1.33 -0.46 0.03 5.30 2.19 0.13 -0.67 117.98 123.17 3ddr s PHE 461 Ca 0.18 1.02 0.04 0.00 0.33 0.00 0.00 56.93 58.50 3ddr s PHE 461 Cb -0.09 0.08 -0.02 0.00 -1.31 0.00 0.00 43.02 41.68 3ddr s PHE 461 CO 0.09 -0.32 -0.11 1.52 1.83 0.00 0.00 175.22 178.23 3ddr s TYR 462 N 1.84 0.94 -0.24 10.12 1.13 -1.02 0.01 117.35 130.13 3ddr s TYR 462 Ca -0.05 -0.34 0.02 0.00 -1.41 0.00 0.00 57.07 55.29 3ddr s TYR 462 Cb -0.11 -0.56 0.05 0.00 -1.10 0.00 0.00 41.96 40.24 3ddr s TYR 462 CO -0.10 -0.00 -0.10 -0.47 -2.51 0.00 0.00 175.55 172.37 3ddr s TYR 463 N -0.85 2.84 0.06 -3.49 6.14 -0.20 -2.26 117.35 119.59 3ddr s TYR 463 Ca -0.01 -1.99 -0.25 0.00 0.64 0.00 0.00 57.07 55.46 3ddr s TYR 463 Cb -0.07 -1.78 -0.06 0.00 0.42 0.00 0.00 41.96 40.47 3ddr s TYR 463 CO 0.01 -0.82 0.75 -0.51 0.64 0.00 0.00 175.55 175.62 3ddr s ASP 464 N 1.25 7.22 -0.20 4.32 1.01 0.18 -1.46 116.67 128.99 3ddr s ASP 464 Ca -0.06 1.46 -0.02 0.00 0.71 0.00 0.00 52.55 54.65 3ddr s ASP 464 Cb -0.18 -2.46 0.06 0.00 1.01 0.00 0.00 42.92 41.34 3ddr s ASP 464 CO -0.07 0.06 0.00 -0.75 0.21 0.00 0.00 175.17 174.63 3ddr s LYS 465 N -0.29 1.01 0.09 8.23 2.20 0.48 -1.43 119.74 130.03 3ddr s LYS 465 Ca 0.37 -0.60 -0.12 0.00 -0.36 0.00 0.00 55.97 55.27 3ddr s LYS 465 Cb -0.21 -2.23 -0.06 0.00 -1.51 0.00 0.00 37.83 33.82 3ddr s LYS 465 CO 0.23 -0.61 0.45 0.00 -0.36 0.00 0.00 175.35 175.06 3ddr s ALA 466 N 1.70 3.68 -0.13 3.13 0.00 0.18 -1.94 121.76 128.39 3ddr s ALA 466 Ca -0.02 -0.28 -0.13 0.00 0.00 0.00 0.00 51.96 51.53 3ddr s ALA 466 Cb -0.17 -2.37 0.03 0.00 0.00 0.00 0.00 23.12 20.62 3ddr s ALA 466 CO -0.07 0.52 0.36 0.95 0.00 0.00 0.00 175.76 177.51 3ddr s THR 467 N -1.36 0.00 -0.27 0.00 -4.23 -0.69 -3.12 115.64 105.97 3ddr s THR 467 Ca 0.33 -0.02 -0.16 0.00 -1.18 0.00 0.00 61.69 60.66 3ddr s THR 467 Cb -0.15 -0.51 0.08 0.00 1.34 0.00 0.00 72.50 73.26 3ddr s THR 467 CO 0.18 -0.01 0.67 -0.55 -0.54 0.00 0.00 174.62 174.37 3ddr s SER 468 N 0.14 -0.91 0.12 3.99 0.15 -1.26 -1.19 113.70 114.74 3ddr s SER 468 Ca -0.00 1.47 0.06 0.00 0.70 0.00 0.00 55.95 58.18 3ddr s SER 468 Cb -0.03 1.35 -0.04 0.00 -1.71 0.00 0.00 66.02 65.60 3ddr s SER 468 CO 0.01 -0.24 -0.14 1.51 1.20 0.00 0.00 173.24 175.58 3ddr s ASP 469 N 1.57 1.99 0.25 5.45 1.47 -1.06 -4.75 116.67 121.59 3ddr s ASP 469 Ca -0.10 -0.82 -0.11 0.00 1.18 0.00 0.00 52.55 52.70 3ddr s ASP 469 Cb -0.05 -0.07 -0.01 0.00 -0.34 0.00 0.00 42.92 42.46 3ddr s ASP 469 CO -0.19 -0.16 0.45 -0.55 0.68 0.00 0.00 175.17 175.41 3ddr s SER 470 N -2.50 0.02 0.00 2.11 0.15 -1.26 -1.74 113.70 110.47 3ddr s SER 470 Ca 0.09 -1.03 0.19 0.00 0.70 0.00 0.00 55.95 55.91 3ddr s SER 470 Cb -0.04 0.58 0.17 0.00 -1.71 0.00 0.00 66.02 65.02 3ddr s SER 470 CO 0.03 -1.14 1.13 -1.54 1.20 0.00 0.00 173.24 172.92 3ddr n SER 471 N -0.49 2.66 -4.88 5.45 3.41 -0.70 -4.90 113.62 114.17 3ddr n SER 471 Ca -0.01 -1.81 -0.33 0.00 -0.26 0.00 0.00 58.87 56.46 3ddr n SER 471 Cb 0.62 -0.02 -0.05 0.00 -0.26 0.00 0.00 64.21 64.50 3ddr n SER 471 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3ddr s ARG 472 N -1.56 3.68 0.01 4.33 0.52 -1.26 -4.92 118.95 119.74 3ddr s ARG 472 Ca 0.23 0.03 -0.02 0.00 -0.52 0.00 0.00 55.73 55.46 3ddr s ARG 472 Cb 0.16 -2.92 -0.00 0.00 0.52 0.00 0.00 34.95 32.71 3ddr s ARG 472 CO 0.24 0.51 0.97 1.04 0.02 0.00 0.00 175.30 178.08 3ddr n GLN 473 N 0.49 -0.03 -0.23 3.54 1.13 -1.26 -3.29 117.38 117.73 3ddr n GLN 473 Ca -0.05 0.96 0.10 0.00 -1.94 0.00 0.00 57.00 56.07 3ddr n GLN 473 Cb 0.52 -1.44 0.22 0.00 0.11 0.00 0.00 30.24 29.65 3ddr n GLN 473 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3ddr n GLY 474 N -1.02 2.11 0.22 1.08 0.00 -1.26 -4.57 105.19 101.75 3ddr n GLY 474 Ca 0.00 -0.63 0.02 0.00 0.00 0.00 0.00 46.02 45.41 3ddr n GLY 474 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 3ddr h MET 475 N 3.58 0.16 -1.51 1.61 2.86 -1.77 -2.97 114.93 116.89 3ddr h MET 475 Ca 0.00 -0.05 0.49 0.00 -2.06 0.00 0.00 59.70 58.08 3ddr h MET 475 Cb 0.88 -0.02 -0.12 0.00 0.06 0.00 0.00 31.60 32.40 3ddr h MET 475 CO 0.00 0.40 1.01 0.93 1.06 0.00 0.00 176.91 180.31 3ddr h GLU 476 N 0.15 0.02 -0.21 1.72 5.08 -1.80 -0.33 114.58 119.21 3ddr h GLU 476 Ca 0.03 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 3ddr h GLU 476 Cb 0.50 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3ddr h GLU 476 CO 0.03 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.47 3ddr n GLY 477 N -1.62 2.13 0.30 -3.84 0.00 -1.12 -4.35 105.19 96.68 3ddr n GLY 477 Ca 0.41 -0.28 0.01 0.00 0.00 0.00 0.00 46.02 46.16 3ddr n GLY 477 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3ddr h VAL 478 N 1.57 1.17 0.00 1.61 2.07 -1.15 0.46 116.25 121.99 3ddr h VAL 478 Ca 0.00 -0.55 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 3ddr h VAL 478 Cb 0.61 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3ddr h VAL 478 CO 0.00 0.21 -0.01 0.74 0.02 0.00 0.00 177.57 178.53 3ddr h THR 479 N 0.64 1.09 0.00 2.57 2.02 -1.76 -3.41 112.91 114.06 3ddr h THR 479 Ca 0.15 -1.82 0.00 0.00 0.77 0.00 0.00 66.41 65.51 3ddr h THR 479 Cb 0.14 2.07 0.00 0.00 -1.74 0.00 0.00 68.15 68.62 3ddr h THR 479 CO -0.01 0.37 0.00 -0.81 0.37 0.00 0.00 175.52 175.44 3ddr n PRO 480 N -4.67 0.00 -3.52 6.66 -0.05 -1.26 -4.45 135.00 127.70 3ddr n PRO 480 Ca -0.06 0.00 -0.00 0.00 -0.05 0.00 0.00 63.50 63.38 3ddr n PRO 480 Cb 0.30 0.00 -0.05 0.00 -0.05 0.00 0.00 33.50 33.70 3ddr n PRO 480 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 175.50 175.45 3ddr s ALA 481 N -2.33 -2.43 0.00 0.55 0.00 -1.26 -4.17 121.76 112.12 3ddr s ALA 481 Ca 0.00 2.17 0.00 0.00 0.00 0.00 0.00 51.96 54.13 3ddr s ALA 481 Cb 0.00 -1.88 0.00 0.00 0.00 0.00 0.00 23.12 21.24 3ddr s ALA 481 CO 0.00 -0.75 0.00 0.41 0.00 0.00 0.00 175.76 175.42 3ddr n GLY 482 N 4.68 -0.69 3.29 0.00 0.00 -1.18 -4.49 105.19 106.80 3ddr n GLY 482 Ca -0.13 -0.46 -0.14 0.00 0.00 0.00 0.00 46.02 45.29 3ddr n GLY 482 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s ASN 483 N -4.00 -0.31 -0.10 1.61 2.20 0.40 -0.64 114.94 114.09 3ddr s ASN 483 Ca 0.00 0.33 -0.07 0.00 -0.94 0.00 0.00 52.86 52.18 3ddr s ASN 483 Cb 0.00 0.46 0.04 0.00 -2.00 0.00 0.00 41.25 39.74 3ddr s ASN 483 CO 0.00 -0.41 0.26 -0.60 -2.94 0.00 0.00 177.10 173.41 3ddr s ARG 484 N -0.99 0.25 -0.05 3.55 3.52 -0.51 -0.72 118.95 124.00 3ddr s ARG 484 Ca -0.10 0.47 -0.02 0.00 -0.13 0.00 0.00 55.73 55.95 3ddr s ARG 484 Cb -0.04 -0.01 0.04 0.00 -1.56 0.00 0.00 34.95 33.38 3ddr s ARG 484 CO 0.04 -0.11 0.09 -1.54 -0.81 0.00 0.00 175.30 172.97 3ddr s SER 485 N 0.80 0.93 -0.03 -2.12 1.04 -0.90 0.52 113.70 113.95 3ddr s SER 485 Ca -0.05 0.16 -0.00 0.00 0.48 0.00 0.00 55.95 56.53 3ddr s SER 485 Cb -0.07 -0.01 -0.04 0.00 0.10 0.00 0.00 66.02 66.01 3ddr s SER 485 CO -0.05 -0.24 0.03 0.54 0.98 0.00 0.00 173.24 174.50 3ddr s VAL 486 N 2.11 4.42 -0.19 5.02 0.11 -0.96 -1.30 120.40 129.61 3ddr s VAL 486 Ca 0.03 -0.42 0.01 0.00 -2.93 0.00 0.00 61.98 58.67 3ddr s VAL 486 Cb -0.12 -2.96 0.03 0.00 -1.53 0.00 0.00 36.38 31.80 3ddr s VAL 486 CO -0.04 0.43 -0.17 0.00 -3.33 0.00 0.00 175.10 171.99 3ddr s ALA 487 N -1.07 2.32 -0.03 1.54 0.00 -0.70 -2.45 121.76 121.37 3ddr s ALA 487 Ca 0.19 -1.30 0.00 0.00 0.00 0.00 0.00 51.96 50.85 3ddr s ALA 487 Cb -0.12 -1.25 -0.04 0.00 0.00 0.00 0.00 23.12 21.72 3ddr s ALA 487 CO 0.09 -0.54 0.02 -1.12 0.00 0.00 0.00 175.76 174.21 3ddr s SER 488 N 1.28 5.28 -0.21 0.00 0.01 0.16 -1.91 113.70 118.30 3ddr s SER 488 Ca 0.02 0.07 -0.02 0.00 1.31 0.00 0.00 55.95 57.34 3ddr s SER 488 Cb -0.14 -1.44 0.06 0.00 0.21 0.00 0.00 66.02 64.70 3ddr s SER 488 CO -0.11 0.31 0.01 -0.22 0.41 0.00 0.00 173.24 173.64 3ddr s LEU 489 N -1.39 1.60 0.23 2.44 2.96 -0.59 -1.54 118.68 122.40 3ddr s LEU 489 Ca 0.18 -0.95 0.11 0.00 -0.22 0.00 0.00 54.13 53.25 3ddr s LEU 489 Cb -0.12 -0.77 -0.05 0.00 0.50 0.00 0.00 46.19 45.76 3ddr s LEU 489 CO 0.09 -0.29 -0.20 0.72 -1.32 0.00 0.00 176.35 175.35 3ddr s PHE 490 N 1.72 2.13 -0.25 5.38 -0.12 -0.85 -1.51 117.98 124.48 3ddr s PHE 490 Ca -0.02 -0.40 -0.02 0.00 -0.05 0.00 0.00 56.93 56.44 3ddr s PHE 490 Cb -0.18 -0.97 0.14 0.00 -0.63 0.00 0.00 43.02 41.38 3ddr s PHE 490 CO -0.08 0.56 0.40 0.00 -0.05 0.00 0.00 175.22 176.05 3ddr s ALA 491 N -2.37 -1.22 -0.17 1.99 0.00 -0.76 -1.93 121.76 117.31 3ddr s ALA 491 Ca 0.25 0.96 -0.03 0.00 0.00 0.00 0.00 51.96 53.14 3ddr s ALA 491 Cb -0.05 -1.75 -0.02 0.00 0.00 0.00 0.00 23.12 21.30 3ddr s ALA 491 CO 0.11 -1.30 -0.06 -0.80 0.00 0.00 0.00 175.76 173.71 3ddr s ASN 492 N 2.58 4.49 -0.37 0.00 -0.87 0.34 -2.96 114.94 118.15 3ddr s ASN 492 Ca 0.13 -0.24 0.01 0.00 -1.57 0.00 0.00 52.86 51.19 3ddr s ASN 492 Cb -0.15 -1.73 0.10 0.00 -0.02 0.00 0.00 41.25 39.45 3ddr s ASN 492 CO -0.17 0.12 0.12 -0.22 -2.57 0.00 0.00 177.10 174.37 3ddr s LEU 493 N 0.65 4.96 0.47 0.60 2.96 0.49 0.05 118.68 128.87 3ddr s LEU 493 Ca -0.03 -2.09 -0.13 0.00 -0.22 0.00 0.00 54.13 51.66 3ddr s LEU 493 Cb -0.15 -1.72 -0.07 0.00 0.50 0.00 0.00 46.19 44.75 3ddr s LEU 493 CO 0.02 -0.45 0.89 -0.89 -1.32 0.00 0.00 176.35 174.60 3ddr s THR 494 N 1.01 4.66 -0.21 3.68 2.01 -0.14 -1.15 115.64 125.50 3ddr s THR 494 Ca 0.09 0.91 -0.09 0.00 0.31 0.00 0.00 61.69 62.92 3ddr s THR 494 Cb -0.21 -3.74 0.09 0.00 0.01 0.00 0.00 72.50 68.65 3ddr s THR 494 CO -0.06 -0.64 0.47 -0.47 -0.69 0.00 0.00 174.62 173.23 3ddr s TYR 495 N -2.54 -0.84 0.23 4.92 5.04 0.48 -1.97 117.35 122.67 3ddr s TYR 495 Ca 0.55 1.63 0.08 0.00 -2.44 0.00 0.00 57.07 56.89 3ddr s TYR 495 Cb -0.10 0.40 -0.04 0.00 0.35 0.00 0.00 41.96 42.56 3ddr s TYR 495 CO 0.33 -0.47 0.07 -0.51 -1.34 0.00 0.00 175.55 173.63 3ddr s ASP 496 N 2.21 5.00 -0.11 4.32 1.11 0.81 -1.14 116.67 128.88 3ddr s ASP 496 Ca -0.05 -0.42 -0.04 0.00 0.18 0.00 0.00 52.55 52.22 3ddr s ASP 496 Cb -0.10 -1.12 0.06 0.00 1.07 0.00 0.00 42.92 42.83 3ddr s ASP 496 CO -0.14 0.01 0.22 -0.47 1.18 0.00 0.00 175.17 175.97 3ddr s TYR 497 N -2.08 -0.32 -1.21 4.23 6.14 -0.90 -2.45 117.35 120.76 3ddr s TYR 497 Ca 0.31 0.81 0.00 0.00 0.64 0.00 0.00 57.07 58.83 3ddr s TYR 497 Cb -0.08 -0.13 0.00 0.00 0.42 0.00 0.00 41.96 42.17 3ddr s TYR 497 CO 0.22 -0.32 0.00 -0.25 0.64 0.00 0.00 175.55 175.83 3ddr n ASP 498 N 5.34 -3.47 -0.07 4.32 9.92 -1.20 -1.14 116.55 130.25 3ddr n ASP 498 Ca -0.05 0.28 -0.01 0.00 -0.53 0.00 0.00 54.79 54.48 3ddr n ASP 498 Cb 0.50 -3.11 -0.00 0.00 -0.64 0.00 0.00 41.12 37.86 3ddr n ASP 498 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 3ddr n GLY 499 N -0.14 0.36 0.00 0.44 0.00 -1.26 -4.82 105.19 99.78 3ddr n GLY 499 Ca -0.11 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3ddr n GLY 499 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 3ddr n TRP 500 N -2.58 0.00 -4.01 1.61 4.27 -0.29 -4.82 117.44 111.62 3ddr n TRP 500 Ca -0.01 0.00 -0.34 0.00 -3.89 0.00 0.00 57.50 53.26 3ddr n TRP 500 Cb 0.23 0.00 -0.06 0.00 -1.36 0.00 0.00 31.31 30.12 3ddr n TRP 500 CO 0.00 0.00 0.00 -1.17 -2.29 0.00 0.00 177.69 174.23 3ddr s LEU 501 N -3.43 4.15 -0.15 5.67 2.96 -0.77 -1.22 118.68 125.90 3ddr s LEU 501 Ca 0.00 0.30 -0.04 0.00 -0.22 0.00 0.00 54.13 54.17 3ddr s LEU 501 Cb 0.00 -2.27 0.06 0.00 0.50 0.00 0.00 46.19 44.49 3ddr s LEU 501 CO 0.00 0.32 0.14 -0.89 -1.32 0.00 0.00 176.35 174.60 3ddr s THR 502 N -1.15 -0.19 -0.17 3.68 2.01 0.40 -2.12 115.64 118.09 3ddr s THR 502 Ca 0.21 0.03 -0.05 0.00 0.31 0.00 0.00 61.69 62.19 3ddr s THR 502 Cb -0.12 -0.50 -0.03 0.00 0.01 0.00 0.00 72.50 71.86 3ddr s THR 502 CO 0.11 -0.12 -0.01 -0.76 -0.69 0.00 0.00 174.62 173.15 3ddr s LEU 503 N 2.23 3.33 -0.13 4.42 1.02 -0.29 -1.37 118.68 127.89 3ddr s LEU 503 Ca 0.04 -0.13 -0.01 0.00 0.02 0.00 0.00 54.13 54.05 3ddr s LEU 503 Cb -0.15 -1.82 0.04 0.00 0.02 0.00 0.00 46.19 44.28 3ddr s LEU 503 CO -0.09 0.13 -0.03 -0.70 0.02 0.00 0.00 176.35 175.68 3ddr s GLU 504 N 0.59 1.14 0.23 1.70 2.12 -0.64 -0.39 118.70 123.46 3ddr s GLU 504 Ca -0.01 -0.27 0.10 0.00 0.36 0.00 0.00 54.97 55.15 3ddr s GLU 504 Cb -0.14 -1.64 -0.04 0.00 0.26 0.00 0.00 34.13 32.56 3ddr s GLU 504 CO 0.02 -0.38 -0.12 0.20 -0.54 0.00 0.00 175.26 174.44 3ddr s GLY 505 N 1.77 1.75 -0.07 -1.50 0.00 -0.30 -0.90 107.32 108.06 3ddr s GLY 505 Ca 0.03 -1.66 -0.32 0.00 0.00 0.00 0.00 44.72 42.77 3ddr s GLY 505 CO -0.07 -1.71 1.29 -0.32 0.00 0.00 0.00 173.10 172.28 3ddr s GLY 506 N -3.24 -0.39 -0.21 0.20 0.00 -0.94 -0.38 107.32 102.37 3ddr s GLY 506 Ca 0.28 0.98 -0.29 0.00 0.00 0.00 0.00 44.72 45.68 3ddr s GLY 506 CO 0.16 0.24 1.11 0.48 0.00 0.00 0.00 173.10 175.09 3ddr s LEU 507 N -2.76 -0.28 0.05 0.66 0.05 -1.16 -1.98 118.68 113.27 3ddr s LEU 507 Ca 0.13 0.33 0.07 0.00 0.05 0.00 0.00 54.13 54.71 3ddr s LEU 507 Cb 0.04 1.63 -0.03 0.00 -2.05 0.00 0.00 46.19 45.78 3ddr s LEU 507 CO -0.04 -0.24 -0.21 -0.60 -0.55 0.00 0.00 176.35 174.71 3ddr s ARG 508 N -0.95 1.37 -0.09 1.48 3.52 0.01 -1.82 118.95 122.47 3ddr s ARG 508 Ca 0.02 -0.97 0.03 0.00 -0.13 0.00 0.00 55.73 54.67 3ddr s ARG 508 Cb -0.01 -1.51 -0.02 0.00 -1.56 0.00 0.00 34.95 31.86 3ddr s ARG 508 CO -0.02 0.38 -0.18 -0.47 -0.81 0.00 0.00 175.30 174.21 3ddr s TYR 509 N -0.84 2.66 0.24 5.12 6.14 -0.57 -0.09 117.35 130.01 3ddr s TYR 509 Ca 0.07 -0.57 0.12 0.00 0.64 0.00 0.00 57.07 57.33 3ddr s TYR 509 Cb -0.09 -1.71 -0.05 0.00 0.42 0.00 0.00 41.96 40.53 3ddr s TYR 509 CO 0.02 -0.12 -0.21 -0.51 0.64 0.00 0.00 175.55 175.37 3ddr s ASP 510 N -0.08 3.58 -0.22 4.32 1.01 0.03 -1.54 116.67 123.76 3ddr s ASP 510 Ca -0.04 -0.94 -0.04 0.00 0.71 0.00 0.00 52.55 52.24 3ddr s ASP 510 Cb -0.14 -0.31 0.11 0.00 1.01 0.00 0.00 42.92 43.59 3ddr s ASP 510 CO 0.04 0.07 0.38 -0.60 0.21 0.00 0.00 175.17 175.27 3ddr s ARG 511 N -3.16 0.32 0.28 8.23 3.52 -0.80 -2.43 118.95 124.91 3ddr s ARG 511 Ca 0.26 0.73 0.01 0.00 -0.13 0.00 0.00 55.73 56.61 3ddr s ARG 511 Cb -0.06 -0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.13 3ddr s ARG 511 CO 0.13 -0.47 0.46 1.52 -0.81 0.00 0.00 175.30 176.13 3ddr s TYR 512 N 2.56 3.48 -0.19 5.12 -0.00 -0.98 -1.73 117.35 125.62 3ddr s TYR 512 Ca 0.07 0.24 -0.04 0.00 -0.00 0.00 0.00 57.07 57.34 3ddr s TYR 512 Cb -0.14 -1.79 0.08 0.00 -0.00 0.00 0.00 41.96 40.11 3ddr s TYR 512 CO -0.14 0.27 0.18 0.50 -0.00 0.00 0.00 175.55 176.36 3ddr s ARG 513 N -4.00 0.15 -0.21 -3.49 3.52 -0.42 -3.38 118.95 111.12 3ddr s ARG 513 Ca 0.38 0.16 -0.11 0.00 -0.13 0.00 0.00 55.73 56.03 3ddr s ARG 513 Cb -0.10 -1.30 -0.05 0.00 -1.56 0.00 0.00 34.95 31.95 3ddr s ARG 513 CO 0.32 -0.63 0.18 -1.17 -0.81 0.00 0.00 175.30 173.19 3ddr s LEU 514 N 2.28 4.18 -0.02 -0.88 2.96 -0.27 -2.11 118.68 124.82 3ddr s LEU 514 Ca 0.05 0.25 0.01 0.00 -0.22 0.00 0.00 54.13 54.22 3ddr s LEU 514 Cb -0.16 -2.16 0.01 0.00 0.50 0.00 0.00 46.19 44.38 3ddr s LEU 514 CO -0.11 0.11 -0.03 -0.13 -1.32 0.00 0.00 176.35 174.88 3ddr s ARG 515 N 0.67 0.37 0.00 1.98 0.52 0.10 -1.84 118.95 120.74 3ddr s ARG 515 Ca 0.10 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.24 3ddr s ARG 515 Cb -0.12 -0.42 0.00 0.00 0.52 0.00 0.00 34.95 34.93 3ddr s ARG 515 CO 0.02 -0.01 0.00 0.41 0.02 0.00 0.00 175.30 175.74 3ddr n GLY 516 N 3.48 1.37 3.91 -3.53 0.00 -0.83 -0.46 105.19 109.14 3ddr n GLY 516 Ca -0.19 -0.81 -0.32 0.00 0.00 0.00 0.00 46.02 44.70 3ddr n GLY 516 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddr s GLN 517 N -2.00 3.43 0.07 1.61 1.11 -1.26 -1.42 119.66 121.20 3ddr s GLN 517 Ca 0.00 -0.38 -0.26 0.00 0.01 0.00 0.00 55.36 54.73 3ddr s GLN 517 Cb 0.00 -3.06 0.09 0.00 -1.01 0.00 0.00 33.01 29.02 3ddr s GLN 517 CO 0.00 0.64 0.75 -0.08 0.01 0.00 0.00 175.29 176.61 3ddr s THR 518 N -1.41 0.00 0.19 -0.19 -1.32 -1.11 -4.95 115.64 106.84 3ddr s THR 518 Ca 0.31 0.00 -0.21 0.00 -1.21 0.00 0.00 61.69 60.58 3ddr s THR 518 Cb -0.13 -1.00 0.05 0.00 -1.51 0.00 0.00 72.50 69.91 3ddr s THR 518 CO 0.23 0.00 0.59 -0.83 -2.21 0.00 0.00 174.62 172.40 3ddr s GLY 519 N -2.59 -0.40 -0.08 6.08 0.00 -1.26 -1.37 107.32 107.70 3ddr s GLY 519 Ca 0.03 0.17 -0.07 0.00 0.00 0.00 0.00 44.72 44.85 3ddr s GLY 519 CO -0.11 0.00 0.21 -2.27 0.00 0.00 0.00 173.10 170.93 3ddr s LEU 520 N -2.81 1.15 -0.04 0.66 2.96 0.41 -4.85 118.68 116.16 3ddr s LEU 520 Ca 0.04 0.42 0.06 0.00 -0.22 0.00 0.00 54.13 54.43 3ddr s LEU 520 Cb -0.02 0.70 -0.02 0.00 0.50 0.00 0.00 46.19 47.35 3ddr s LEU 520 CO -0.07 -0.08 -0.20 -0.44 -1.32 0.00 0.00 176.35 174.24 3ddr s SER 521 N 0.22 3.57 0.05 3.68 0.01 -1.26 -0.15 113.70 119.82 3ddr s SER 521 Ca -0.01 -0.32 -0.01 0.00 1.31 0.00 0.00 55.95 56.92 3ddr s SER 521 Cb -0.02 -0.62 -0.04 0.00 0.21 0.00 0.00 66.02 65.55 3ddr s SER 521 CO -0.00 0.33 -0.03 -0.72 0.41 0.00 0.00 173.24 173.23 3ddr s TYR 522 N -0.67 0.48 0.20 2.43 1.13 -0.47 -4.98 117.35 115.47 3ddr s TYR 522 Ca 0.11 -0.99 -0.30 0.00 -1.41 0.00 0.00 57.07 54.48 3ddr s TYR 522 Cb -0.10 -0.36 -0.09 0.00 -1.10 0.00 0.00 41.96 40.31 3ddr s TYR 522 CO -0.00 -0.36 1.31 -2.14 -2.51 0.00 0.00 175.55 171.86 3ddr s PRO 523 N -3.57 4.38 -0.05 -3.49 0.02 -1.26 -1.35 135.00 129.68 3ddr s PRO 523 Ca 0.04 2.07 -0.10 0.00 0.02 0.00 0.00 61.00 63.03 3ddr s PRO 523 Cb 0.05 -3.19 0.02 0.00 0.02 0.00 0.00 34.50 31.40 3ddr s PRO 523 CO -0.09 -0.26 0.24 0.34 -0.33 0.00 0.00 177.00 176.90 3ddr s ASP 524 N 0.33 -0.17 -0.63 2.53 -1.08 -0.99 -1.36 116.67 115.30 3ddr s ASP 524 Ca 0.57 0.22 -0.20 0.00 -0.52 0.00 0.00 52.55 52.62 3ddr s ASP 524 Cb -0.37 0.39 0.10 0.00 -1.46 0.00 0.00 42.92 41.57 3ddr s ASP 524 CO 0.39 -0.25 0.80 -0.76 0.52 0.00 0.00 175.17 175.87 3ddr s LEU 525 N -0.61 5.08 0.17 -1.34 1.43 -1.26 -1.61 118.68 120.55 3ddr s LEU 525 Ca -0.07 -1.33 -0.24 0.00 -1.03 0.00 0.00 54.13 51.46 3ddr s LEU 525 Cb -0.04 -2.34 0.07 0.00 0.03 0.00 0.00 46.19 43.90 3ddr s LEU 525 CO 0.02 -1.21 0.97 0.00 0.23 0.00 0.00 176.35 176.35 3ddr s ALA 526 N 3.09 -1.60 0.00 4.21 0.00 -1.21 -0.12 121.76 126.14 3ddr s ALA 526 Ca 0.15 -0.02 0.00 0.00 0.00 0.00 0.00 51.96 52.09 3ddr s ALA 526 Cb -0.21 0.67 0.00 0.00 0.00 0.00 0.00 23.12 23.58 3ddr s ALA 526 CO 0.07 -1.05 0.00 1.17 0.00 0.00 0.00 175.76 175.95 3ddr n LYS 527 N -0.53 0.00 -1.50 0.00 4.81 0.96 -4.51 118.16 117.38 3ddr n LYS 527 Ca -0.05 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.98 3ddr n LYS 527 Cb 0.60 0.00 -0.02 0.00 0.02 0.00 0.00 35.03 35.64 3ddr n LYS 527 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 3ddr n ASP 528 N 0.00 4.37 -1.08 3.14 8.00 -1.26 -4.13 116.55 125.59 3ddr n ASP 528 Ca 0.00 -2.74 -0.14 0.00 0.71 0.00 0.00 54.79 52.62 3ddr n ASP 528 Cb 0.00 -1.51 -0.06 0.00 -0.02 0.00 0.00 41.12 39.53 3ddr n ASP 528 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 529 N 4.09 1.37 3.33 0.44 0.00 -1.26 -4.97 105.19 108.19 3ddr n GLY 529 Ca 0.55 -0.05 -0.34 0.00 0.00 0.00 0.00 46.02 46.18 3ddr n GLY 529 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3ddr s GLN 530 N -3.16 3.38 -0.07 1.61 -1.52 -1.26 -5.10 119.66 113.55 3ddr s GLN 530 Ca 0.00 -0.64 -0.23 0.00 -1.95 0.00 0.00 55.36 52.54 3ddr s GLN 530 Cb 0.00 -2.88 -0.04 0.00 -0.22 0.00 0.00 33.01 29.87 3ddr s GLN 530 CO 0.00 -0.06 0.67 0.50 -0.25 0.00 0.00 175.29 176.15 3ddr s ARG 531 N 1.10 4.42 -0.65 2.91 3.52 -1.26 -0.03 118.95 128.96 3ddr s ARG 531 Ca 0.01 0.83 -0.26 0.00 -0.13 0.00 0.00 55.73 56.17 3ddr s ARG 531 Cb -0.15 -3.44 -0.02 0.00 -1.56 0.00 0.00 34.95 29.78 3ddr s ARG 531 CO -0.01 0.09 1.83 0.71 -0.81 0.00 0.00 175.30 177.11 3ddr s TYR 532 N 0.72 1.72 0.45 5.12 2.02 0.83 -4.84 117.35 123.38 3ddr s TYR 532 Ca 0.36 0.71 0.03 0.00 -0.37 0.00 0.00 57.07 57.80 3ddr s TYR 532 Cb -0.17 -4.12 -0.04 0.00 -0.40 0.00 0.00 41.96 37.23 3ddr s TYR 532 CO 0.17 -2.24 0.03 -0.08 -1.57 0.00 0.00 175.55 171.86 3ddr s THR 533 N 8.96 1.28 0.49 -0.71 -1.32 -0.93 -1.42 115.64 121.99 3ddr s THR 533 Ca 0.65 -2.00 0.40 0.00 -1.21 0.00 0.00 61.69 59.53 3ddr s THR 533 Cb -0.12 -2.46 0.60 0.00 -1.51 0.00 0.00 72.50 69.02 3ddr s THR 533 CO 0.18 0.00 1.59 -0.29 -2.21 0.00 0.00 174.62 173.89 3ddr h ILE 534 N 1.60 0.04 -0.58 5.08 6.09 -1.92 0.91 117.51 128.72 3ddr h ILE 534 Ca -0.42 -0.01 0.00 0.00 -1.37 0.00 0.00 64.86 63.06 3ddr h ILE 534 Cb 1.28 0.02 0.00 0.00 0.47 0.00 0.00 36.82 38.59 3ddr h ILE 534 CO 0.73 0.00 0.00 -0.90 -3.07 0.00 0.00 178.15 174.91 3ddr n ASP 535 N -4.38 3.60 -2.82 2.19 5.75 -1.26 -4.56 116.55 115.07 3ddr n ASP 535 Ca 0.41 -2.03 -0.10 0.00 -0.01 0.00 0.00 54.79 53.06 3ddr n ASP 535 Cb 1.73 -0.40 0.03 0.00 -1.03 0.00 0.00 41.12 41.46 3ddr n ASP 535 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 3ddr n ASN 536 N 1.17 -2.46 -4.83 -1.12 5.15 0.31 -5.16 115.26 108.32 3ddr n ASN 536 Ca 0.20 -3.20 -0.32 0.00 -0.60 0.00 0.00 54.58 50.66 3ddr n ASN 536 Cb 0.56 1.46 -0.03 0.00 -0.53 0.00 0.00 39.78 41.23 3ddr n ASN 536 CO 0.00 0.00 0.00 -2.84 1.40 0.00 0.00 177.26 175.82 3ddr s PRO 537 N 0.43 3.89 0.07 1.20 0.02 -1.07 -2.18 135.00 137.36 3ddr s PRO 537 Ca 0.32 1.01 -0.35 0.00 0.02 0.00 0.00 61.00 62.01 3ddr s PRO 537 Cb 0.21 -2.13 -0.18 0.00 0.02 0.00 0.00 34.50 32.42 3ddr s PRO 537 CO -0.22 -0.32 1.60 0.00 -0.33 0.00 0.00 177.00 177.72 3ddr n LYS 539 N -5.56 0.00 -1.01 0.00 4.01 -1.11 -5.00 118.16 109.50 3ddr n LYS 539 Ca -0.14 0.00 -0.29 0.00 -0.51 0.00 0.00 58.31 57.37 3ddr n LYS 539 Cb 0.44 -0.14 0.18 0.00 -0.51 0.00 0.00 35.03 35.00 3ddr n LYS 539 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 3ddr s ALA 540 N -2.11 0.78 -0.09 7.82 0.00 -1.24 -4.49 121.76 122.44 3ddr s ALA 540 Ca 0.00 -0.18 -0.15 0.00 0.00 0.00 0.00 51.96 51.63 3ddr s ALA 540 Cb 0.00 -3.18 -0.28 0.00 0.00 0.00 0.00 23.12 19.66 3ddr s ALA 540 CO 0.00 -2.96 0.59 1.25 0.00 0.00 0.00 175.76 174.65 3ddr h LEU 541 N -1.98 0.44-10.08 0.00 5.85 -1.80 -3.41 115.31 104.33 3ddr h LEU 541 Ca -0.54 -0.88 -0.49 0.00 0.84 0.00 0.00 57.88 56.80 3ddr h LEU 541 Cb 1.32 -0.14 -0.04 0.00 0.37 0.00 0.00 40.66 42.16 3ddr h LEU 541 CO 0.54 1.66 -0.43 -0.13 -0.34 0.00 0.00 178.44 179.74 3ddr s ARG 542 N -2.50 2.67 0.33 1.25 3.00 -1.26 -4.83 118.95 117.60 3ddr s ARG 542 Ca -0.19 -1.36 0.15 0.00 0.00 0.00 0.00 55.73 54.33 3ddr s ARG 542 Cb 0.05 -2.45 0.52 0.00 0.00 0.00 0.00 34.95 33.06 3ddr s ARG 542 CO 0.79 0.01 1.67 -0.07 0.00 0.00 0.00 175.30 177.70 3ddr h LEU 543 N 1.19 0.00 -2.05 2.53 3.38 -1.94 -3.22 115.31 115.19 3ddr h LEU 543 Ca -0.44 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.53 3ddr h LEU 543 Cb 1.26 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.01 3ddr h LEU 543 CO 0.58 0.49 -0.02 0.71 0.09 0.00 0.00 178.44 180.29 3ddr h THR 544 N 0.00 0.93 -0.29 0.22 1.35 -1.96 0.44 112.91 113.60 3ddr h THR 544 Ca -0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.80 3ddr h THR 544 Cb 1.00 1.03 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3ddr h THR 544 CO 0.06 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3ddr n GLY 545 N -1.45 1.81 0.00 5.82 0.00 -1.22 -3.79 105.19 106.36 3ddr n GLY 545 Ca -0.03 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.57 3ddr n GLY 545 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ddr s SER 547 N -0.98 5.43 0.10 0.00 1.04 -0.90 -3.35 113.70 115.03 3ddr s SER 547 Ca 0.00 -0.55 -0.26 0.00 0.48 0.00 0.00 55.95 55.61 3ddr s SER 547 Cb 0.00 -0.32 0.09 0.00 0.10 0.00 0.00 66.02 65.88 3ddr s SER 547 CO 0.00 -0.99 1.11 -0.89 0.98 0.00 0.00 173.24 173.44 3ddr s THR 548 N -2.49 0.00 -0.13 2.02 2.01 -0.63 -4.80 115.64 111.62 3ddr s THR 548 Ca 0.58 -0.47 -0.02 0.00 0.31 0.00 0.00 61.69 62.09 3ddr s THR 548 Cb -0.08 -2.32 -0.02 0.00 0.01 0.00 0.00 72.50 70.08 3ddr s THR 548 CO 0.35 0.00 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.32 3ddr s THR 549 N -2.63 3.56 -0.18 -0.82 2.01 -1.26 -2.35 115.64 113.97 3ddr s THR 549 Ca 0.17 -0.49 -0.06 0.00 0.31 0.00 0.00 61.69 61.63 3ddr s THR 549 Cb 0.00 -2.52 -0.03 0.00 0.01 0.00 0.00 72.50 69.96 3ddr s THR 549 CO 0.01 0.52 0.02 -0.89 -0.69 0.00 0.00 174.62 173.59 3ddr s THR 550 N 0.18 4.28 -0.15 -0.82 2.01 -0.46 -4.96 115.64 115.72 3ddr s THR 550 Ca -0.04 -0.21 -0.06 0.00 0.31 0.00 0.00 61.69 61.68 3ddr s THR 550 Cb -0.14 -2.92 -0.04 0.00 0.01 0.00 0.00 72.50 69.41 3ddr s THR 550 CO 0.04 0.45 0.06 -0.60 -0.69 0.00 0.00 174.62 173.88 3ddr s ARG 551 N 0.59 3.71 -0.13 4.92 6.06 -1.26 -1.37 118.95 131.47 3ddr s ARG 551 Ca 0.00 -0.32 -0.01 0.00 -2.50 0.00 0.00 55.73 52.91 3ddr s ARG 551 Cb -0.14 -3.13 -0.02 0.00 0.06 0.00 0.00 34.95 31.72 3ddr s ARG 551 CO 0.02 0.43 -0.12 -2.00 -2.50 0.00 0.00 175.30 171.14 3ddr s GLU 552 N -0.09 3.41 -0.24 5.12 2.12 0.79 -4.98 118.70 124.84 3ddr s GLU 552 Ca 0.07 -0.66 0.02 0.00 0.36 0.00 0.00 54.97 54.76 3ddr s GLU 552 Cb -0.12 -2.67 0.05 0.00 0.26 0.00 0.00 34.13 31.65 3ddr s GLU 552 CO 0.01 0.23 -0.12 -0.51 -0.54 0.00 0.00 175.26 174.33 3ddr s ASP 553 N 0.32 4.02 -0.08 -1.70 1.01 -1.26 -0.44 116.67 118.53 3ddr s ASP 553 Ca -0.09 -1.18 -0.16 0.00 0.71 0.00 0.00 52.55 51.83 3ddr s ASP 553 Cb -0.16 -1.46 -0.05 0.00 1.01 0.00 0.00 42.92 42.26 3ddr s ASP 553 CO 0.05 -0.15 0.40 0.26 0.21 0.00 0.00 175.17 175.94 3ddr s TRP 554 N 1.20 3.58 -0.86 4.23 0.52 -0.47 -5.01 118.94 122.13 3ddr s TRP 554 Ca -0.05 0.85 -0.14 0.00 0.02 0.00 0.00 56.10 56.78 3ddr s TRP 554 Cb -0.18 -2.39 0.22 0.00 -1.15 0.00 0.00 33.47 29.97 3ddr s TRP 554 CO -0.07 0.37 0.81 0.34 0.02 0.00 0.00 176.95 178.43 3ddr s ASP 555 N -0.08 6.82 0.13 2.95 2.15 -1.26 -2.75 116.67 124.62 3ddr s ASP 555 Ca 0.23 -2.76 -0.30 0.00 0.43 0.00 0.00 52.55 50.14 3ddr s ASP 555 Cb -0.15 -2.22 -0.07 0.00 -0.30 0.00 0.00 42.92 40.19 3ddr s ASP 555 CO 0.10 -0.56 1.15 -0.69 -0.17 0.00 0.00 175.17 175.00 3ddr s VAL 556 N 0.11 3.92 -0.46 1.11 1.01 -0.51 -4.96 120.40 120.62 3ddr s VAL 556 Ca 0.20 1.52 0.03 0.00 0.00 0.00 0.00 61.98 63.72 3ddr s VAL 556 Cb -0.10 -3.97 0.21 0.00 0.00 0.00 0.00 36.38 32.52 3ddr s VAL 556 CO -0.09 0.20 0.88 -0.67 0.00 0.00 0.00 175.10 175.42 3ddr n ASP 557 N 3.06 -2.75 -4.45 3.32 -0.08 -1.22 -1.97 116.55 112.46 3ddr n ASP 557 Ca 0.06 -2.38 -0.27 0.00 -1.51 0.00 0.00 54.79 50.68 3ddr n ASP 557 Cb 0.46 1.44 -0.11 0.00 2.34 0.00 0.00 41.12 45.25 3ddr n ASP 557 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 3ddr s ARG 558 N 0.83 1.62 -0.18 -0.67 1.70 -0.77 -4.96 118.95 116.53 3ddr s ARG 558 Ca 0.28 -1.44 -0.08 0.00 -0.47 0.00 0.00 55.73 54.02 3ddr s ARG 558 Cb 0.07 -1.92 0.08 0.00 -0.57 0.00 0.00 34.95 32.61 3ddr s ARG 558 CO -0.09 0.41 0.40 0.16 -1.08 0.00 0.00 175.30 175.10 3ddr s ASP 559 N -2.62 -0.30 0.30 -2.89 1.47 -1.26 -1.11 116.67 110.27 3ddr s ASP 559 Ca 0.21 0.91 0.06 0.00 1.18 0.00 0.00 52.55 54.91 3ddr s ASP 559 Cb -0.08 1.06 -0.06 0.00 -0.34 0.00 0.00 42.92 43.50 3ddr s ASP 559 CO 0.10 -0.22 -0.03 -1.10 0.68 0.00 0.00 175.17 174.60 3ddr s GLN 560 N 2.12 1.63 -0.04 2.11 -0.21 -1.22 -4.98 119.66 119.07 3ddr s GLN 560 Ca -0.05 -1.85 0.03 0.00 0.02 0.00 0.00 55.36 53.51 3ddr s GLN 560 Cb -0.11 -1.18 0.01 0.00 1.00 0.00 0.00 33.01 32.73 3ddr s GLN 560 CO -0.12 -0.01 -0.11 0.20 -2.12 0.00 0.00 175.29 173.13 3ddr s GLY 561 N -3.49 0.68 0.18 3.09 0.00 -1.26 -2.31 107.32 104.21 3ddr s GLY 561 Ca 0.32 -0.42 0.09 0.00 0.00 0.00 0.00 44.72 44.70 3ddr s GLY 561 CO 0.13 -0.07 -0.18 1.25 0.00 0.00 0.00 173.10 174.23 3ddr s LYS 562 N 0.31 1.31 -0.14 2.90 2.47 -1.02 -4.96 119.74 120.61 3ddr s LYS 562 Ca -0.07 -1.45 0.01 0.00 -1.56 0.00 0.00 55.97 52.91 3ddr s LYS 562 Cb -0.11 -1.36 0.00 0.00 -1.46 0.00 0.00 37.83 34.89 3ddr s LYS 562 CO 0.02 0.27 -0.18 -1.17 0.16 0.00 0.00 175.35 174.44 3ddr s LEU 563 N -2.76 2.32 -0.13 5.43 2.96 -1.26 -0.79 118.68 124.45 3ddr s LEU 563 Ca 0.17 -0.51 -0.00 0.00 -0.22 0.00 0.00 54.13 53.56 3ddr s LEU 563 Cb -0.05 -1.51 0.03 0.00 0.50 0.00 0.00 46.19 45.16 3ddr s LEU 563 CO 0.07 0.10 -0.08 -0.44 -1.32 0.00 0.00 176.35 174.68 3ddr s SER 564 N 0.71 2.42 0.48 3.68 0.01 0.87 -4.98 113.70 116.90 3ddr s SER 564 Ca -0.08 -0.42 -0.09 0.00 1.31 0.00 0.00 55.95 56.67 3ddr s SER 564 Cb -0.16 -0.91 -0.05 0.00 0.21 0.00 0.00 66.02 65.12 3ddr s SER 564 CO 0.01 -0.13 0.84 -2.84 0.41 0.00 0.00 173.24 171.53 3ddr s PRO 565 N 1.66 3.65 0.04 12.44 0.02 -1.26 -0.81 135.00 150.73 3ddr s PRO 565 Ca 0.04 0.43 0.02 0.00 0.02 0.00 0.00 61.00 61.51 3ddr s PRO 565 Cb -0.13 -2.31 -0.02 0.00 0.02 0.00 0.00 34.50 32.05 3ddr s PRO 565 CO -0.08 -0.22 -0.08 0.95 -0.33 0.00 0.00 177.00 177.23 3ddr s THR 566 N -2.70 0.58 0.03 0.99 -4.23 -0.84 -2.00 115.64 107.47 3ddr s THR 566 Ca 0.51 -0.95 -0.13 0.00 -1.18 0.00 0.00 61.69 59.94 3ddr s THR 566 Cb -0.10 -0.62 0.02 0.00 1.34 0.00 0.00 72.50 73.14 3ddr s THR 566 CO 0.42 -0.27 0.28 -0.76 -0.54 0.00 0.00 174.62 173.75 3ddr s LEU 567 N -1.32 0.97 0.01 4.79 1.02 0.12 -2.22 118.68 122.03 3ddr s LEU 567 Ca -0.07 -0.16 -0.28 0.00 0.02 0.00 0.00 54.13 53.63 3ddr s LEU 567 Cb -0.09 1.26 0.08 0.00 0.02 0.00 0.00 46.19 47.46 3ddr s LEU 567 CO 0.00 -0.57 0.70 0.00 0.02 0.00 0.00 176.35 176.51 3ddr s ALA 568 N -2.29 -1.74 -0.06 4.21 0.00 -0.08 -1.64 121.76 120.15 3ddr s ALA 568 Ca -0.07 1.08 -0.04 0.00 0.00 0.00 0.00 51.96 52.93 3ddr s ALA 568 Cb -0.02 0.22 0.03 0.00 0.00 0.00 0.00 23.12 23.36 3ddr s ALA 568 CO -0.02 -0.51 0.15 0.08 0.00 0.00 0.00 175.76 175.47 3ddr s VAL 569 N -2.09 -0.03 -0.00 0.00 1.01 -0.36 -1.62 120.40 117.31 3ddr s VAL 569 Ca -0.05 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.01 3ddr s VAL 569 Cb -0.00 -0.24 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 3ddr s VAL 569 CO 0.01 0.04 0.04 0.00 0.00 0.00 0.00 175.10 175.20 3ddr s ALA 570 N 0.75 -0.09 -0.08 5.51 0.00 -0.47 -0.47 121.76 126.91 3ddr s ALA 570 Ca -0.06 -0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.70 3ddr s ALA 570 Cb -0.07 0.04 0.04 0.00 0.00 0.00 0.00 23.12 23.12 3ddr s ALA 570 CO -0.04 -0.11 0.18 0.14 0.00 0.00 0.00 175.76 175.92 3ddr s VAL 571 N -0.81 -0.04 -0.13 0.00 -7.23 0.67 -0.45 120.40 112.41 3ddr s VAL 571 Ca -0.09 0.16 -0.29 0.00 -1.81 0.00 0.00 61.98 59.95 3ddr s VAL 571 Cb -0.05 -0.28 -0.04 0.00 0.56 0.00 0.00 36.38 36.57 3ddr s VAL 571 CO -0.00 0.06 1.62 -0.13 -0.31 0.00 0.00 175.10 176.35 3ddr s ARG 572 N 1.12 4.01 0.03 4.82 1.81 -0.36 -0.82 118.95 129.55 3ddr s ARG 572 Ca -0.08 1.94 -0.28 0.00 -1.72 0.00 0.00 55.73 55.59 3ddr s ARG 572 Cb -0.10 -4.00 -0.16 0.00 -0.45 0.00 0.00 34.95 30.24 3ddr s ARG 572 CO -0.06 -1.04 1.26 -1.35 -0.68 0.00 0.00 175.30 173.42 3ddr h PRO 573 N 10.04 -0.98 0.00 3.54 0.11 -1.89 -3.43 132.00 139.39 3ddr h PRO 573 Ca -0.36 0.07 0.00 0.00 0.11 0.00 0.00 66.00 65.82 3ddr h PRO 573 Cb 1.16 0.22 0.00 0.00 0.11 0.00 0.00 31.00 32.50 3ddr h PRO 573 CO 0.97 -0.65 -0.26 0.41 -0.21 0.00 0.00 178.00 178.26 3ddr n GLY 574 N -1.04 0.00 3.84 -0.55 0.00 -1.26 -5.12 105.19 101.06 3ddr n GLY 574 Ca -0.13 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.66 3ddr n GLY 574 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s VAL 575 N -1.26 4.61 -0.91 1.61 0.11 -1.26 -5.00 120.40 118.30 3ddr s VAL 575 Ca 0.00 -1.21 0.26 0.00 -2.93 0.00 0.00 61.98 58.10 3ddr s VAL 575 Cb 0.00 -3.45 0.24 0.00 -1.53 0.00 0.00 36.38 31.64 3ddr s VAL 575 CO 0.00 -0.26 1.82 -0.62 -3.33 0.00 0.00 175.10 172.71 3ddr n GLU 576 N -0.92 0.07 -0.28 1.54 1.02 -1.26 -3.49 120.64 117.32 3ddr n GLU 576 Ca -0.08 0.10 0.28 0.00 -0.02 0.00 0.00 57.16 57.45 3ddr n GLU 576 Cb 0.57 -1.59 0.65 0.00 -0.02 0.00 0.00 31.44 31.05 3ddr n GLU 576 CO 0.00 0.00 0.00 2.35 1.18 0.00 0.00 177.13 180.66 3ddr h TRP 577 N 0.00 0.25 -2.97 -0.32 2.91 -1.95 -3.43 115.95 110.44 3ddr h TRP 577 Ca 0.00 0.01 -0.13 0.00 1.13 0.00 0.00 58.89 59.90 3ddr h TRP 577 Cb 0.52 -0.07 -0.22 0.00 -0.51 0.00 0.00 29.16 28.87 3ddr h TRP 577 CO 0.00 0.03 -0.29 -1.17 -1.03 0.00 0.00 178.44 175.98 3ddr s LEU 578 N -8.89 0.78 -0.08 0.65 2.96 -1.23 -3.23 118.68 109.64 3ddr s LEU 578 Ca -0.06 0.37 -0.00 0.00 -0.22 0.00 0.00 54.13 54.21 3ddr s LEU 578 Cb 0.23 1.22 0.02 0.00 0.50 0.00 0.00 46.19 48.17 3ddr s LEU 578 CO 0.79 -0.29 -0.04 -0.70 -1.32 0.00 0.00 176.35 174.79 3ddr s GLU 579 N -0.62 0.99 -0.13 1.98 2.12 -0.80 -3.76 118.70 118.48 3ddr s GLU 579 Ca -0.07 -0.08 -0.06 0.00 0.36 0.00 0.00 54.97 55.11 3ddr s GLU 579 Cb -0.04 -1.14 -0.04 0.00 0.26 0.00 0.00 34.13 33.17 3ddr s GLU 579 CO 0.02 -0.22 0.11 -0.51 -0.54 0.00 0.00 175.26 174.12 3ddr s LEU 580 N 1.56 4.16 0.11 2.70 1.43 -0.00 -1.24 118.68 127.40 3ddr s LEU 580 Ca -0.00 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.39 3ddr s LEU 580 Cb -0.13 -2.02 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 3ddr s LEU 580 CO -0.04 0.35 0.14 -0.72 0.23 0.00 0.00 176.35 176.31 3ddr s TYR 581 N -0.69 0.45 -0.24 0.29 -0.85 -0.28 -0.24 117.35 115.80 3ddr s TYR 581 Ca 0.13 -0.88 -0.11 0.00 -0.52 0.00 0.00 57.07 55.69 3ddr s TYR 581 Cb -0.12 -0.22 0.09 0.00 0.38 0.00 0.00 41.96 42.09 3ddr s TYR 581 CO 0.03 -0.55 0.55 0.99 -1.52 0.00 0.00 175.55 175.05 3ddr s THR 582 N -3.94 -0.39 -0.06 -3.49 2.01 0.38 -2.35 115.64 107.80 3ddr s THR 582 Ca 0.13 0.06 0.03 0.00 0.31 0.00 0.00 61.69 62.22 3ddr s THR 582 Cb 0.06 -0.83 0.01 0.00 0.01 0.00 0.00 72.50 71.74 3ddr s THR 582 CO -0.05 0.03 -0.15 0.42 -0.69 0.00 0.00 174.62 174.17 3ddr s THR 583 N 2.10 1.35 0.12 -0.82 -4.23 -0.82 -1.22 115.64 112.10 3ddr s THR 583 Ca -0.07 -0.63 0.09 0.00 -1.18 0.00 0.00 61.69 59.90 3ddr s THR 583 Cb -0.09 -1.19 -0.04 0.00 1.34 0.00 0.00 72.50 72.52 3ddr s THR 583 CO -0.16 0.40 -0.20 -0.47 -0.54 0.00 0.00 174.62 173.65 3ddr s TYR 584 N 0.39 2.49 -0.25 3.99 6.14 -0.65 -0.04 117.35 129.42 3ddr s TYR 584 Ca -0.11 -0.29 -0.28 0.00 0.64 0.00 0.00 57.07 57.04 3ddr s TYR 584 Cb -0.14 -1.33 0.16 0.00 0.42 0.00 0.00 41.96 41.06 3ddr s TYR 584 CO 0.04 0.37 1.19 0.20 0.64 0.00 0.00 175.55 177.99 3ddr s GLY 585 N -2.09 -0.02 0.35 8.97 0.00 -0.51 0.12 107.32 114.14 3ddr s GLY 585 Ca 0.17 2.70 0.05 0.00 0.00 0.00 0.00 44.72 47.64 3ddr s GLY 585 CO 0.09 1.43 0.50 0.54 0.00 0.00 0.00 173.10 175.66 3ddr s LYS 586 N -0.53 3.15 0.00 2.90 1.02 -0.85 -0.73 119.74 124.70 3ddr s LYS 586 Ca 0.04 -0.88 0.00 0.00 0.02 0.00 0.00 55.97 55.15 3ddr s LYS 586 Cb -0.03 -2.78 0.00 0.00 -0.52 0.00 0.00 37.83 34.50 3ddr s LYS 586 CO -0.06 0.04 0.00 0.45 -0.92 0.00 0.00 175.35 174.86 3ddr n SER 587 N -1.70 0.00 -3.34 2.83 2.88 -1.05 -4.46 113.62 108.78 3ddr n SER 587 Ca -0.01 -0.65 0.02 0.00 -1.33 0.00 0.00 58.87 56.90 3ddr n SER 587 Cb 0.58 0.00 -0.04 0.00 -0.75 0.00 0.00 64.21 63.99 3ddr n SER 587 CO 0.00 0.00 0.00 0.86 -1.23 0.00 0.00 175.04 174.67 3ddr s TRP 588 N -4.75 -0.32 -0.22 0.66 -0.00 -1.26 -1.67 118.94 111.39 3ddr s TRP 588 Ca 0.00 0.57 -0.01 0.00 -0.00 0.00 0.00 56.10 56.66 3ddr s TRP 588 Cb 0.00 0.19 0.06 0.00 -0.00 0.00 0.00 33.47 33.72 3ddr s TRP 588 CO 0.00 -0.16 -0.00 0.50 -0.00 0.00 0.00 176.95 177.29 3ddr s ARG 589 N 2.02 1.09 1.02 5.86 3.52 -0.38 -4.34 118.95 127.74 3ddr s ARG 589 Ca -0.02 -0.71 -0.12 0.00 -0.13 0.00 0.00 55.73 54.75 3ddr s ARG 589 Cb -0.03 -2.33 0.20 0.00 -1.56 0.00 0.00 34.95 31.23 3ddr s ARG 589 CO -0.16 -0.64 1.08 -2.14 -0.81 0.00 0.00 175.30 172.63 3ddr s PRO 590 N 1.64 0.27 0.42 5.12 0.02 -1.26 -2.02 135.00 139.19 3ddr s PRO 590 Ca -0.03 0.84 -0.24 0.00 0.02 0.00 0.00 61.00 61.59 3ddr s PRO 590 Cb -0.18 -1.69 -0.08 0.00 0.02 0.00 0.00 34.50 32.57 3ddr s PRO 590 CO -0.08 -2.92 1.16 -2.14 -0.33 0.00 0.00 177.00 172.69 3ddr s PRO 591 N -4.75 3.95 0.81 5.54 0.02 -1.26 -4.87 135.00 134.43 3ddr s PRO 591 Ca 0.66 1.79 -0.11 0.00 0.02 0.00 0.00 61.00 63.36 3ddr s PRO 591 Cb -0.21 -2.56 0.08 0.00 0.02 0.00 0.00 34.50 31.83 3ddr s PRO 591 CO 0.60 -0.40 1.12 0.00 -0.33 0.00 0.00 177.00 177.99 3ddr s ALA 592 N -1.48 2.00 0.13 -1.55 0.00 -1.26 -4.96 121.76 114.63 3ddr s ALA 592 Ca 0.60 0.45 -0.24 0.00 0.00 0.00 0.00 51.96 52.77 3ddr s ALA 592 Cb -0.29 -3.35 -0.02 0.00 0.00 0.00 0.00 23.12 19.45 3ddr s ALA 592 CO 0.36 -2.07 1.64 0.82 0.00 0.00 0.00 175.76 176.51 3ddr h ILE 593 N -1.22 0.47 0.00 0.00 5.03 -1.96 -2.94 117.51 116.90 3ddr h ILE 593 Ca -0.44 0.00 -0.00 0.00 -0.12 0.00 0.00 64.86 64.30 3ddr h ILE 593 Cb 1.25 0.47 0.00 0.00 -3.03 0.00 0.00 36.82 35.51 3ddr h ILE 593 CO 0.48 0.00 -0.00 0.74 -0.68 0.00 0.00 178.15 178.69 3ddr h THR 594 N -0.29 1.17 0.00 -0.27 2.02 -1.93 -1.67 112.91 111.94 3ddr h THR 594 Ca 0.09 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.76 3ddr h THR 594 Cb 0.42 1.52 0.00 0.00 -1.74 0.00 0.00 68.15 68.36 3ddr h THR 594 CO -0.27 0.13 0.00 -1.84 0.37 0.00 0.00 175.52 173.91 3ddr n GLU 595 N -4.99 0.22 -0.08 6.66 0.28 -1.22 -1.45 120.64 120.06 3ddr n GLU 595 Ca -0.08 0.13 -0.08 0.00 -0.16 0.00 0.00 57.16 56.98 3ddr n GLU 595 Cb 0.13 -1.50 -0.12 0.00 1.43 0.00 0.00 31.44 31.38 3ddr n GLU 595 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 3ddr n THR 596 N -1.22 1.05 0.09 3.84 -1.04 -0.85 -3.85 114.28 112.30 3ddr n THR 596 Ca 0.06 -0.63 0.01 0.00 -2.04 0.00 0.00 64.05 61.46 3ddr n THR 596 Cb 0.08 -0.64 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 3ddr n THR 596 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 3ddr n LEU 597 N -2.60 0.83 -4.67 -4.42 4.77 -0.69 -2.86 117.00 107.37 3ddr n LEU 597 Ca -0.25 -0.84 -0.46 0.00 -0.03 0.00 0.00 56.01 54.43 3ddr n LEU 597 Cb 0.98 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 42.03 3ddr n LEU 597 CO 0.31 0.19 1.16 1.07 -1.33 0.00 0.00 177.39 178.80 3ddr n THR 598 N -0.26 0.07 -3.20 -5.08 5.66 -0.53 -4.68 114.28 106.26 3ddr n THR 598 Ca 0.01 -0.02 0.01 0.00 -3.05 0.00 0.00 64.05 61.00 3ddr n THR 598 Cb 0.05 -1.49 -0.01 0.00 -1.55 0.00 0.00 70.33 67.32 3ddr n THR 598 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 3ddr s ASN 599 N 0.84 -1.52 0.00 1.09 2.20 0.16 -0.65 114.94 117.06 3ddr s ASN 599 Ca 0.78 -0.65 0.00 0.00 -0.94 0.00 0.00 52.86 52.05 3ddr s ASN 599 Cb -0.69 1.96 0.00 0.00 -2.00 0.00 0.00 41.25 40.52 3ddr s ASN 599 CO 0.39 -0.19 0.00 0.61 -2.94 0.00 0.00 177.10 174.97 3ddr n GLY 600 N 4.56 -0.86 3.42 0.45 0.00 -0.96 -3.81 105.19 107.99 3ddr n GLY 600 Ca 0.10 -0.76 -0.16 0.00 0.00 0.00 0.00 46.02 45.20 3ddr n GLY 600 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ddr s SER 601 N -4.00 -0.49 0.16 1.61 1.04 -1.26 -0.04 113.70 110.73 3ddr s SER 601 Ca 0.00 0.48 0.25 0.00 0.48 0.00 0.00 55.95 57.16 3ddr s SER 601 Cb 0.00 0.45 0.52 0.00 0.10 0.00 0.00 66.02 67.09 3ddr s SER 601 CO 0.00 -0.55 1.50 0.00 0.98 0.00 0.00 173.24 175.16 3ddr n ALA 602 N 1.04 2.67 -3.60 5.32 0.00 -1.26 -4.45 120.51 120.23 3ddr n ALA 602 Ca -0.20 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.01 3ddr n ALA 602 Cb 0.57 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.68 3ddr n ALA 602 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 3ddr s HIS 603 N -3.14 -0.22 0.70 0.00 -3.43 -1.26 -5.10 115.29 102.83 3ddr s HIS 603 Ca 0.08 0.37 -0.16 0.00 -0.80 0.00 0.00 55.06 54.55 3ddr s HIS 603 Cb 0.13 0.47 -0.01 0.00 -1.43 0.00 0.00 32.58 31.74 3ddr s HIS 603 CO 0.67 -0.21 0.88 -1.13 -2.00 0.00 0.00 174.74 172.95 3ddr n SER 604 N 0.61 0.19 0.00 7.38 3.41 -1.26 -3.18 113.62 120.77 3ddr n SER 604 Ca -0.06 0.67 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 3ddr n SER 604 Cb 0.58 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 3ddr n SER 604 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 3ddr n SER 605 N -1.29 0.00 -3.80 4.04 2.88 -1.26 -5.02 113.62 109.16 3ddr n SER 605 Ca 0.13 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.54 3ddr n SER 605 Cb 0.49 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.81 3ddr n SER 605 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ddr s SER 606 N 0.00 -0.08 -0.02 -3.46 0.15 -1.19 -4.17 113.70 104.92 3ddr s SER 606 Ca 0.00 0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.87 3ddr s SER 606 Cb 0.00 0.16 0.02 0.00 -1.71 0.00 0.00 66.02 64.50 3ddr s SER 606 CO 0.00 -0.08 -0.00 -0.89 1.20 0.00 0.00 173.24 173.46 3ddr s THR 607 N 0.54 0.17 0.08 6.45 2.01 -0.92 -4.32 115.64 119.66 3ddr s THR 607 Ca -0.04 0.05 -0.14 0.00 0.31 0.00 0.00 61.69 61.87 3ddr s THR 607 Cb -0.06 -0.25 -0.06 0.00 0.01 0.00 0.00 72.50 72.15 3ddr s THR 607 CO -0.02 0.12 0.48 -1.10 -0.69 0.00 0.00 174.62 173.41 3ddr s GLN 608 N 0.79 3.94 0.12 4.92 -0.21 0.95 -1.31 119.66 128.86 3ddr s GLN 608 Ca -0.08 0.43 0.06 0.00 0.02 0.00 0.00 55.36 55.79 3ddr s GLN 608 Cb -0.11 -3.07 -0.04 0.00 1.00 0.00 0.00 33.01 30.79 3ddr s GLN 608 CO -0.01 0.58 -0.14 0.71 -2.12 0.00 0.00 175.29 174.30 3ddr s TYR 609 N -1.29 1.40 0.57 0.91 2.02 0.13 -2.27 117.35 118.81 3ddr s TYR 609 Ca 0.32 -0.55 -0.17 0.00 -0.37 0.00 0.00 57.07 56.29 3ddr s TYR 609 Cb -0.16 -0.73 -0.05 0.00 -0.40 0.00 0.00 41.96 40.62 3ddr s TYR 609 CO 0.17 0.15 1.06 -2.14 -1.57 0.00 0.00 175.55 173.22 3ddr s PRO 610 N -2.67 3.42 -0.40 -1.71 0.02 0.18 -4.22 135.00 129.61 3ddr s PRO 610 Ca 0.09 1.27 0.01 0.00 0.02 0.00 0.00 61.00 62.39 3ddr s PRO 610 Cb -0.05 -2.04 0.14 0.00 0.02 0.00 0.00 34.50 32.57 3ddr s PRO 610 CO 0.03 -0.73 0.23 1.21 -0.33 0.00 0.00 177.00 177.40 3ddr s ASN 611 N -2.54 3.28 0.00 2.53 3.84 -1.13 -4.90 114.94 116.01 3ddr s ASN 611 Ca 0.65 -2.42 0.00 0.00 0.21 0.00 0.00 52.86 51.30 3ddr s ASN 611 Cb -0.17 -0.71 0.00 0.00 -0.55 0.00 0.00 41.25 39.82 3ddr s ASN 611 CO 0.32 -0.29 0.71 -2.65 -2.79 0.00 0.00 177.10 172.41 3ddr n PRO 612 N 3.77 0.87 -0.04 0.43 -0.02 -1.25 -3.24 135.00 135.53 3ddr n PRO 612 Ca 0.11 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 3ddr n PRO 612 Cb 0.36 -1.16 0.00 0.00 -0.02 0.00 0.00 33.50 32.68 3ddr n PRO 612 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3ddr n PHE 613 N -0.29 0.00 -1.58 6.00 3.72 -1.26 -5.07 117.46 118.98 3ddr n PHE 613 Ca 0.00 -0.02 -0.57 0.00 -0.05 0.00 0.00 57.45 56.81 3ddr n PHE 613 Cb 0.08 -0.01 -0.07 0.00 -0.94 0.00 0.00 39.48 38.54 3ddr n PHE 613 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 176.76 177.99 3ddr n LEU 614 N -0.03 1.01 -4.83 4.37 4.77 -1.20 -4.97 117.00 116.14 3ddr n LEU 614 Ca 0.00 1.14 -0.36 0.00 -0.03 0.00 0.00 56.01 56.75 3ddr n LEU 614 Cb 0.51 -1.05 -0.06 0.00 -2.33 0.00 0.00 43.42 40.49 3ddr n LEU 614 CO 0.00 -1.31 0.30 -1.58 -1.33 0.00 0.00 177.39 173.47 3ddr s GLN 615 N 0.86 4.12 0.40 3.23 0.74 -1.26 -4.88 119.66 122.86 3ddr s GLN 615 Ca 0.91 0.67 -0.23 0.00 0.05 0.00 0.00 55.36 56.76 3ddr s GLN 615 Cb -1.15 -2.99 -0.10 0.00 1.10 0.00 0.00 33.01 29.87 3ddr s GLN 615 CO 0.56 0.49 0.99 -2.14 -0.55 0.00 0.00 175.29 174.65 3ddr s PRO 616 N -1.76 4.25 0.37 1.67 0.02 -1.26 -4.85 135.00 133.44 3ddr s PRO 616 Ca 0.37 1.34 -0.26 0.00 0.02 0.00 0.00 61.00 62.47 3ddr s PRO 616 Cb -0.17 -2.45 -0.09 0.00 0.02 0.00 0.00 34.50 31.81 3ddr s PRO 616 CO 0.20 -0.04 1.13 -1.21 -0.33 0.00 0.00 177.00 176.75 3ddr s GLU 617 N -2.66 4.21 -0.04 5.54 2.02 -0.86 -4.89 118.70 122.03 3ddr s GLU 617 Ca 0.58 1.78 0.02 0.00 0.02 0.00 0.00 54.97 57.37 3ddr s GLU 617 Cb -0.17 -2.77 0.01 0.00 0.10 0.00 0.00 34.13 31.30 3ddr s GLU 617 CO 0.22 -0.16 -0.07 0.50 0.02 0.00 0.00 175.26 175.77 3ddr s ARG 618 N -2.14 0.91 0.41 1.61 3.52 -1.22 -1.25 118.95 120.80 3ddr s ARG 618 Ca 0.54 -0.21 0.07 0.00 -0.13 0.00 0.00 55.73 56.01 3ddr s ARG 618 Cb -0.29 -0.86 -0.05 0.00 -1.56 0.00 0.00 34.95 32.18 3ddr s ARG 618 CO 0.37 0.01 0.17 -1.54 -0.81 0.00 0.00 175.30 173.50 3ddr s SER 619 N 0.55 4.38 -0.22 -2.12 1.04 -0.67 -2.78 113.70 113.88 3ddr s SER 619 Ca -0.08 -1.10 -0.05 0.00 0.48 0.00 0.00 55.95 55.20 3ddr s SER 619 Cb -0.12 -0.47 0.11 0.00 0.10 0.00 0.00 66.02 65.64 3ddr s SER 619 CO 0.01 -0.54 0.40 -0.60 0.98 0.00 0.00 173.24 173.49 3ddr s ARG 620 N -3.89 0.33 -0.05 4.02 3.52 -0.73 -2.53 118.95 119.62 3ddr s ARG 620 Ca 0.41 0.79 0.03 0.00 -0.13 0.00 0.00 55.73 56.82 3ddr s ARG 620 Cb 0.04 -0.06 0.00 0.00 -1.56 0.00 0.00 34.95 33.38 3ddr s ARG 620 CO 0.22 -0.44 -0.14 0.00 -0.81 0.00 0.00 175.30 174.13 3ddr s ALA 621 N 2.58 1.34 0.03 6.12 0.00 0.10 -0.86 121.76 131.06 3ddr s ALA 621 Ca 0.06 -0.53 0.05 0.00 0.00 0.00 0.00 51.96 51.53 3ddr s ALA 621 Cb -0.14 -0.52 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3ddr s ALA 621 CO -0.14 0.19 -0.10 -1.58 0.00 0.00 0.00 175.76 174.13 3ddr s TRP 622 N 0.33 2.78 0.04 0.00 0.52 -1.16 -1.42 118.94 120.03 3ddr s TRP 622 Ca -0.09 -0.11 0.03 0.00 0.02 0.00 0.00 56.10 55.95 3ddr s TRP 622 Cb -0.13 -1.55 -0.02 0.00 -1.15 0.00 0.00 33.47 30.62 3ddr s TRP 622 CO 0.03 0.35 -0.10 -2.00 0.02 0.00 0.00 176.95 175.24 3ddr s GLU 623 N -1.53 0.66 -0.03 4.98 2.12 0.95 -1.39 118.70 124.46 3ddr s GLU 623 Ca 0.17 -0.73 -0.01 0.00 0.36 0.00 0.00 54.97 54.76 3ddr s GLU 623 Cb -0.11 -0.55 0.03 0.00 0.26 0.00 0.00 34.13 33.76 3ddr s GLU 623 CO 0.08 0.12 0.06 0.08 -0.54 0.00 0.00 175.26 175.06 3ddr s VAL 624 N -1.10 -0.07 0.18 3.70 1.01 0.23 -1.95 120.40 122.40 3ddr s VAL 624 Ca -0.05 0.23 -0.21 0.00 0.00 0.00 0.00 61.98 61.96 3ddr s VAL 624 Cb -0.09 -0.12 0.07 0.00 0.00 0.00 0.00 36.38 36.25 3ddr s VAL 624 CO 0.01 0.09 1.00 0.61 0.00 0.00 0.00 175.10 176.82 3ddr n GLY 625 N 4.29 0.62 3.16 4.51 0.00 -0.99 0.12 105.19 116.91 3ddr n GLY 625 Ca -0.26 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.52 3ddr n GLY 625 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3ddr s PHE 626 N -2.21 0.08 0.17 1.61 -0.71 -0.54 -1.12 117.98 115.25 3ddr s PHE 626 Ca 0.22 -0.29 0.08 0.00 -1.04 0.00 0.00 56.93 55.91 3ddr s PHE 626 Cb -0.03 -0.05 -0.04 0.00 -1.21 0.00 0.00 43.02 41.69 3ddr s PHE 626 CO 0.05 -0.40 -0.18 0.54 -1.34 0.00 0.00 175.22 173.90 3ddr s ASN 627 N -2.00 2.66 -0.18 1.98 6.03 -0.38 -1.74 114.94 121.32 3ddr s ASN 627 Ca -0.06 -0.88 0.01 0.00 -1.03 0.00 0.00 52.86 50.90 3ddr s ASN 627 Cb -0.02 -0.15 0.03 0.00 -3.03 0.00 0.00 41.25 38.08 3ddr s ASN 627 CO -0.03 -0.05 -0.14 -0.69 -2.03 0.00 0.00 177.10 174.15 3ddr s VAL 628 N -2.14 1.78 -0.39 3.54 1.01 -0.07 -1.91 120.40 122.21 3ddr s VAL 628 Ca 0.16 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.27 3ddr s VAL 628 Cb -0.05 -1.72 0.11 0.00 0.00 0.00 0.00 36.38 34.71 3ddr s VAL 628 CO 0.07 0.35 0.11 -1.10 0.00 0.00 0.00 175.10 174.53 3ddr s GLN 629 N 1.37 1.61 -0.31 2.72 -0.21 -1.20 -1.72 119.66 121.92 3ddr s GLN 629 Ca 0.02 -2.08 0.03 0.00 0.02 0.00 0.00 55.36 53.34 3ddr s GLN 629 Cb -0.14 -3.21 0.09 0.00 1.00 0.00 0.00 33.01 30.75 3ddr s GLN 629 CO -0.10 -0.99 0.03 -1.14 -2.12 0.00 0.00 175.29 170.96 3ddr s GLN 630 N 0.56 1.44 0.63 2.91 2.00 -0.80 -4.62 119.66 121.79 3ddr s GLN 630 Ca 0.13 -1.55 -0.16 0.00 -2.00 0.00 0.00 55.36 51.77 3ddr s GLN 630 Cb -0.21 -2.87 -0.01 0.00 0.80 0.00 0.00 33.01 30.72 3ddr s GLN 630 CO -0.06 -0.86 1.12 -2.14 -0.50 0.00 0.00 175.29 172.85 3ddr s PRO 631 N 1.12 2.89 -0.55 1.67 0.02 -1.26 -2.40 135.00 136.50 3ddr s PRO 631 Ca 0.06 1.48 -0.16 0.00 0.02 0.00 0.00 61.00 62.41 3ddr s PRO 631 Cb -0.19 -1.95 0.02 0.00 0.02 0.00 0.00 34.50 32.40 3ddr s PRO 631 CO -0.11 -1.19 0.64 -0.25 -0.33 0.00 0.00 177.00 175.76 3ddr n ASP 632 N -2.14 -7.06 0.00 2.53 8.00 -0.20 -4.95 116.55 112.73 3ddr n ASP 632 Ca 0.11 0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.69 3ddr n ASP 632 Cb 0.52 -4.17 0.00 0.00 -0.02 0.00 0.00 41.12 37.44 3ddr n ASP 632 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 3ddr n LEU 633 N -0.87 0.00 -0.05 0.64 7.94 -1.26 -4.93 117.00 118.48 3ddr n LEU 633 Ca -0.00 0.00 -0.04 0.00 -1.11 0.00 0.00 56.01 54.86 3ddr n LEU 633 Cb 0.54 -0.31 -0.01 0.00 0.53 0.00 0.00 43.42 44.17 3ddr n LEU 633 CO 0.53 -0.31 -0.28 0.79 -1.11 0.00 0.00 177.39 177.01 3ddr n TRP 634 N -2.12 0.39 -2.82 1.96 5.03 -1.26 -4.99 117.44 113.62 3ddr n TRP 634 Ca 0.00 0.17 -0.20 0.00 3.03 0.00 0.00 57.50 60.50 3ddr n TRP 634 Cb 0.00 -0.48 0.05 0.00 -1.03 0.00 0.00 31.31 29.85 3ddr n TRP 634 CO 0.00 0.00 0.00 -0.06 -0.03 0.00 0.00 177.69 177.60 3ddr s PHE 635 N -1.89 2.25 0.01 -5.99 0.08 -1.26 -5.08 117.98 106.11 3ddr s PHE 635 Ca -0.12 -0.34 -0.22 0.00 0.12 0.00 0.00 56.93 56.38 3ddr s PHE 635 Cb 0.02 -2.57 -0.05 0.00 -0.57 0.00 0.00 43.02 39.84 3ddr s PHE 635 CO 0.17 -0.98 0.65 -2.00 -0.10 0.00 0.00 175.22 172.96 3ddr s GLU 636 N -4.70 4.37 0.00 0.44 2.12 -1.26 -3.90 118.70 115.77 3ddr s GLU 636 Ca 0.60 0.84 0.00 0.00 0.36 0.00 0.00 54.97 56.76 3ddr s GLU 636 Cb -0.08 -3.35 0.00 0.00 0.26 0.00 0.00 34.13 30.96 3ddr s GLU 636 CO 0.38 0.34 0.00 0.41 -0.54 0.00 0.00 175.26 175.86 3ddr n GLY 637 N 2.42 0.75 3.92 -1.50 0.00 -1.26 -4.96 105.19 104.56 3ddr n GLY 637 Ca -0.05 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.70 3ddr n GLY 637 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3ddr s ASP 638 N -2.46 4.97 -0.18 1.61 1.47 -1.25 -4.84 116.67 115.99 3ddr s ASP 638 Ca 0.00 0.54 -0.05 0.00 1.18 0.00 0.00 52.55 54.22 3ddr s ASP 638 Cb 0.00 -1.25 0.07 0.00 -0.34 0.00 0.00 42.92 41.40 3ddr s ASP 638 CO 0.00 -1.50 0.13 -0.13 0.68 0.00 0.00 175.17 174.35 3ddr s ARG 639 N -5.22 0.10 0.09 2.11 0.52 -0.72 -1.03 118.95 114.80 3ddr s ARG 639 Ca 0.59 0.01 -0.20 0.00 -0.52 0.00 0.00 55.73 55.60 3ddr s ARG 639 Cb -0.11 -1.64 -0.07 0.00 0.52 0.00 0.00 34.95 33.66 3ddr s ARG 639 CO 0.45 -0.67 0.61 -1.17 0.02 0.00 0.00 175.30 174.54 3ddr s LEU 640 N 2.20 4.53 -0.10 2.53 2.96 -1.01 -1.51 118.68 128.29 3ddr s LEU 640 Ca 0.04 1.33 -0.16 0.00 -0.22 0.00 0.00 54.13 55.12 3ddr s LEU 640 Cb -0.16 -2.98 0.04 0.00 0.50 0.00 0.00 46.19 43.59 3ddr s LEU 640 CO -0.10 0.26 0.39 0.54 -1.32 0.00 0.00 176.35 176.12 3ddr s VAL 641 N -1.13 0.02 0.07 1.68 0.11 0.10 -1.91 120.40 119.34 3ddr s VAL 641 Ca 0.30 -0.17 -0.26 0.00 -2.93 0.00 0.00 61.98 58.93 3ddr s VAL 641 Cb -0.20 -0.61 0.08 0.00 -1.53 0.00 0.00 36.38 34.12 3ddr s VAL 641 CO 0.20 -0.09 0.72 0.00 -3.33 0.00 0.00 175.10 172.60 3ddr s ALA 642 N -0.43 -1.71 -0.11 1.54 0.00 -0.70 -0.02 121.76 120.34 3ddr s ALA 642 Ca -0.06 0.80 -0.05 0.00 0.00 0.00 0.00 51.96 52.66 3ddr s ALA 642 Cb -0.03 0.56 0.05 0.00 0.00 0.00 0.00 23.12 23.70 3ddr s ALA 642 CO 0.03 -0.68 0.24 0.21 0.00 0.00 0.00 175.76 175.56 3ddr s LYS 643 N -3.15 0.18 -0.08 0.00 2.20 0.15 -0.89 119.74 118.15 3ddr s LYS 643 Ca 0.01 0.57 0.01 0.00 -0.36 0.00 0.00 55.97 56.20 3ddr s LYS 643 Cb -0.01 -0.11 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 3ddr s LYS 643 CO -0.09 -0.20 -0.11 0.08 -0.36 0.00 0.00 175.35 174.68 3ddr s VAL 644 N 1.57 1.09 0.06 4.02 1.01 -0.71 -1.05 120.40 126.39 3ddr s VAL 644 Ca -0.06 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.53 3ddr s VAL 644 Cb -0.11 -1.03 -0.03 0.00 0.00 0.00 0.00 36.38 35.21 3ddr s VAL 644 CO -0.08 0.36 -0.09 0.00 0.00 0.00 0.00 175.10 175.28 3ddr s ALA 645 N 1.01 0.83 -0.13 5.51 0.00 -0.72 -1.47 121.76 126.78 3ddr s ALA 645 Ca -0.08 -0.95 0.03 0.00 0.00 0.00 0.00 51.96 50.96 3ddr s ALA 645 Cb -0.15 0.03 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3ddr s ALA 645 CO -0.00 -0.01 -0.22 -0.47 0.00 0.00 0.00 175.76 175.06 3ddr s TYR 646 N -1.79 2.56 0.06 0.00 6.14 0.33 -1.42 117.35 123.23 3ddr s TYR 646 Ca -0.03 -1.24 0.09 0.00 0.64 0.00 0.00 57.07 56.53 3ddr s TYR 646 Cb -0.07 -1.75 -0.03 0.00 0.42 0.00 0.00 41.96 40.53 3ddr s TYR 646 CO 0.00 -0.56 -0.26 -0.59 0.64 0.00 0.00 175.55 174.78 3ddr s PHE 647 N 0.75 2.34 -0.42 4.97 -0.71 -0.97 -0.60 117.98 123.33 3ddr s PHE 647 Ca -0.09 -0.39 0.03 0.00 -1.04 0.00 0.00 56.93 55.43 3ddr s PHE 647 Cb -0.16 -1.37 0.16 0.00 -1.21 0.00 0.00 43.02 40.44 3ddr s PHE 647 CO 0.00 0.19 0.30 0.34 -1.34 0.00 0.00 175.22 174.71 3ddr s ASP 648 N -1.45 2.39 -0.14 1.98 2.15 -0.48 -2.55 116.67 118.58 3ddr s ASP 648 Ca 0.13 -2.80 -0.24 0.00 0.43 0.00 0.00 52.55 50.06 3ddr s ASP 648 Cb -0.10 -0.57 -0.02 0.00 -0.30 0.00 0.00 42.92 41.92 3ddr s ASP 648 CO 0.03 -0.22 0.78 -0.89 -0.17 0.00 0.00 175.17 174.71 3ddr s THR 649 N 0.30 4.94 -0.25 1.71 2.01 -0.19 -2.99 115.64 121.17 3ddr s THR 649 Ca 0.26 1.55 0.03 0.00 0.31 0.00 0.00 61.69 63.84 3ddr s THR 649 Cb -0.08 -4.10 0.06 0.00 0.01 0.00 0.00 72.50 68.39 3ddr s THR 649 CO -0.11 0.10 -0.11 -0.75 -0.69 0.00 0.00 174.62 173.06 3ddr s LYS 650 N 1.70 2.27 0.11 4.92 2.20 -0.04 -1.07 119.74 129.83 3ddr s LYS 650 Ca 0.38 -1.29 0.04 0.00 -0.36 0.00 0.00 55.97 54.74 3ddr s LYS 650 Cb -0.17 -2.85 -0.04 0.00 -1.51 0.00 0.00 37.83 33.26 3ddr s LYS 650 CO 0.14 -0.54 0.07 0.08 -0.36 0.00 0.00 175.35 174.74 3ddr s VAL 651 N 1.13 4.33 0.08 4.02 1.01 -0.16 -1.78 120.40 129.03 3ddr s VAL 651 Ca -0.08 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.02 3ddr s VAL 651 Cb -0.19 -3.12 -0.03 0.00 0.00 0.00 0.00 36.38 33.04 3ddr s VAL 651 CO -0.06 0.05 -0.17 1.51 0.00 0.00 0.00 175.10 176.44 3ddr s ASP 652 N -2.57 1.98 0.00 3.32 1.47 -1.12 -0.45 116.67 119.31 3ddr s ASP 652 Ca 0.29 -0.61 0.00 0.00 1.18 0.00 0.00 52.55 53.40 3ddr s ASP 652 Cb -0.11 -0.09 0.00 0.00 -0.34 0.00 0.00 42.92 42.37 3ddr s ASP 652 CO 0.21 -0.01 0.00 0.59 0.68 0.00 0.00 175.17 176.64 3ddr n ASN 653 N 1.32 -2.31 -4.52 2.11 4.13 -1.24 -3.41 115.26 111.34 3ddr n ASN 653 Ca -0.20 0.00 -0.53 0.00 1.68 0.00 0.00 54.58 55.53 3ddr n ASN 653 Cb 0.54 -0.38 -0.07 0.00 -1.54 0.00 0.00 39.78 38.32 3ddr n ASN 653 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ddr n TYR 654 N -2.77 1.76 -2.21 3.10 4.19 -1.26 -4.04 117.16 115.93 3ddr n TYR 654 Ca 0.00 0.33 -0.41 0.00 3.31 0.00 0.00 57.90 61.13 3ddr n TYR 654 Cb 0.00 -2.52 -0.03 0.00 0.49 0.00 0.00 39.34 37.28 3ddr n TYR 654 CO 0.00 0.00 0.00 0.96 0.91 0.00 0.00 176.86 178.73 3ddr s ILE 655 N 6.04 3.09 -0.03 2.97 -5.25 -1.26 -1.79 121.20 124.98 3ddr s ILE 655 Ca 1.06 0.95 -0.03 0.00 -0.99 0.00 0.00 60.65 61.65 3ddr s ILE 655 Cb -0.92 -3.61 0.01 0.00 2.95 0.00 0.00 42.46 40.88 3ddr s ILE 655 CO 0.54 0.17 0.07 0.20 -1.79 0.00 0.00 174.94 174.13 3ddr s ASN 656 N 0.04 -0.06 -0.13 4.36 0.01 -0.49 -4.94 114.94 113.73 3ddr s ASN 656 Ca 0.54 0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 52.51 3ddr s ASN 656 Cb -0.37 0.15 -0.04 0.00 0.41 0.00 0.00 41.25 41.40 3ddr s ASN 656 CO 0.42 -0.05 1.57 -0.22 -1.51 0.00 0.00 177.10 177.31 3ddr s LEU 657 N -0.06 4.15 -0.05 0.60 2.96 -1.26 -0.58 118.68 124.43 3ddr s LEU 657 Ca -0.01 1.93 0.04 0.00 -0.22 0.00 0.00 54.13 55.87 3ddr s LEU 657 Cb -0.01 -3.53 -0.02 0.00 0.50 0.00 0.00 46.19 43.12 3ddr s LEU 657 CO 0.00 -1.01 -0.17 0.00 -1.32 0.00 0.00 176.35 173.85 3ddr s ALA 658 N 4.35 2.55 0.39 5.97 0.00 0.20 -3.96 121.76 131.25 3ddr s ALA 658 Ca 0.69 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.66 3ddr s ALA 658 Cb -0.28 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 21.93 3ddr s ALA 658 CO 0.27 0.51 0.00 0.44 0.00 0.00 0.00 175.76 176.98 3ddr n ILE 659 N 2.49 0.00 -4.24 0.00 -5.35 -0.81 -1.48 119.36 109.98 3ddr n ILE 659 Ca -0.17 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 61.97 3ddr n ILE 659 Cb 0.52 -1.39 -0.07 0.00 -1.74 0.00 0.00 39.64 36.96 3ddr n ILE 659 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 3ddr n ASP 660 N -1.99 -0.02 -4.74 7.28 2.03 -0.70 -4.89 116.55 113.52 3ddr n ASP 660 Ca 0.00 -1.26 -0.29 0.00 0.52 0.00 0.00 54.79 53.76 3ddr n ASP 660 Cb 0.00 -1.55 -0.07 0.00 -0.72 0.00 0.00 41.12 38.78 3ddr n ASP 660 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ddr s ARG 661 N -7.32 2.73 -0.12 -0.67 1.81 -0.73 -4.81 118.95 109.84 3ddr s ARG 661 Ca 0.09 -0.83 0.03 0.00 -1.72 0.00 0.00 55.73 53.31 3ddr s ARG 661 Cb -0.05 -2.61 0.01 0.00 -0.45 0.00 0.00 34.95 31.85 3ddr s ARG 661 CO 0.97 0.53 -0.20 0.54 -0.68 0.00 0.00 175.30 176.46 3ddr s ASN 662 N -2.59 2.83 1.08 0.23 6.03 0.10 -4.52 114.94 118.10 3ddr s ASN 662 Ca 0.28 -0.52 -0.12 0.00 -1.03 0.00 0.00 52.86 51.47 3ddr s ASN 662 Cb -0.11 -1.29 0.24 0.00 -3.03 0.00 0.00 41.25 37.05 3ddr s ASN 662 CO 0.21 0.08 1.07 -0.54 -2.03 0.00 0.00 177.10 175.88 3ddr s LYS 663 N 0.73 -0.29 1.08 3.55 1.02 -1.26 -4.28 119.74 120.29 3ddr s LYS 663 Ca -0.11 1.09 -0.17 0.00 0.02 0.00 0.00 55.97 56.80 3ddr s LYS 663 Cb -0.16 -1.61 0.09 0.00 -0.52 0.00 0.00 37.83 35.63 3ddr s LYS 663 CO 0.01 -3.37 0.08 -2.30 -0.92 0.00 0.00 175.35 168.85 3ddr n PRO 664 N -4.70 -1.31 0.00 -1.68 -0.02 -1.25 -4.85 135.00 121.19 3ddr n PRO 664 Ca 0.06 -0.36 0.00 0.00 -2.02 0.00 0.00 63.50 61.18 3ddr n PRO 664 Cb 0.53 -1.73 0.00 0.00 -0.02 0.00 0.00 33.50 32.29 3ddr n PRO 664 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3ddr n GLY 665 N 1.92 -0.98 3.76 -1.23 0.00 -0.58 -4.43 105.19 103.65 3ddr n GLY 665 Ca 0.02 -1.70 -0.33 0.00 0.00 0.00 0.00 46.02 44.00 3ddr n GLY 665 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 666 N 0.00 3.35 -0.29 0.99 1.43 -0.47 -0.91 118.68 122.79 3ddr s LEU 666 Ca 0.00 2.08 -0.28 0.00 -1.03 0.00 0.00 54.13 54.90 3ddr s LEU 666 Cb 0.00 -4.56 -0.04 0.00 0.03 0.00 0.00 46.19 41.62 3ddr s LEU 666 CO 0.00 -1.81 2.11 -0.69 0.23 0.00 0.00 176.35 176.18 3ddr s VAL 667 N -2.28 3.15 -0.43 -1.59 1.01 -1.26 -4.79 120.40 114.21 3ddr s VAL 667 Ca 0.68 0.15 0.02 0.00 0.00 0.00 0.00 61.98 62.84 3ddr s VAL 667 Cb -0.22 -3.22 0.15 0.00 0.00 0.00 0.00 36.38 33.09 3ddr s VAL 667 CO 0.43 -0.15 0.28 -1.58 0.00 0.00 0.00 175.10 174.08 3ddr s GLN 668 N 6.35 1.04 0.46 2.72 0.74 -1.26 -5.12 119.66 124.60 3ddr s GLN 668 Ca 0.93 -1.93 -0.24 0.00 0.05 0.00 0.00 55.36 54.17 3ddr s GLN 668 Cb -0.28 -1.84 -0.09 0.00 1.10 0.00 0.00 33.01 31.91 3ddr s GLN 668 CO 0.33 -1.25 1.22 -2.30 -0.55 0.00 0.00 175.29 172.75 3ddr n PRO 669 N 3.37 1.72 -3.13 1.67 -0.02 -1.26 -4.91 135.00 132.44 3ddr n PRO 669 Ca 0.17 0.62 0.04 0.00 -2.02 0.00 0.00 63.50 62.31 3ddr n PRO 669 Cb 0.39 -2.35 -0.00 0.00 -0.02 0.00 0.00 33.50 31.52 3ddr n PRO 669 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 3ddr s SER 670 N -0.69 -0.89 0.63 2.55 0.15 -1.26 -5.03 113.70 109.15 3ddr s SER 670 Ca 0.64 0.04 0.36 0.00 0.70 0.00 0.00 55.95 57.70 3ddr s SER 670 Cb -0.49 1.51 2.09 0.00 -1.71 0.00 0.00 66.02 67.42 3ddr s SER 670 CO 0.55 -0.16 2.30 1.23 1.20 0.00 0.00 173.24 178.37 3ddr h GLY 671 N 7.38 0.00 1.71 9.45 0.00 -1.92 -1.67 103.07 118.02 3ddr h GLY 671 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.28 3ddr h GLY 671 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3ddr n GLY 672 N -1.22 -1.29 3.57 4.60 0.00 -1.26 -1.72 105.19 107.88 3ddr n GLY 672 Ca -0.03 -0.12 -0.40 0.00 0.00 0.00 0.00 46.02 45.47 3ddr n GLY 672 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ddr s ASN 673 N -2.71 5.48 0.03 1.61 -0.87 -0.63 -2.17 114.94 115.68 3ddr s ASN 673 Ca 0.22 0.81 0.06 0.00 -1.57 0.00 0.00 52.86 52.39 3ddr s ASN 673 Cb 0.19 -2.53 -0.03 0.00 -0.02 0.00 0.00 41.25 38.86 3ddr s ASN 673 CO 0.45 -2.12 -0.15 0.00 -2.57 0.00 0.00 177.10 172.70 3ddr s ALA 674 N 8.36 2.70 -0.06 0.60 0.00 -0.43 -1.77 121.76 131.16 3ddr s ALA 674 Ca 0.75 -1.15 -0.26 0.00 0.00 0.00 0.00 51.96 51.30 3ddr s ALA 674 Cb -0.17 -0.84 0.06 0.00 0.00 0.00 0.00 23.12 22.17 3ddr s ALA 674 CO 0.27 0.58 0.59 0.00 0.00 0.00 0.00 175.76 177.20 3ddr s ALA 675 N -0.94 -1.51 0.10 0.00 0.00 -0.55 0.18 121.76 119.04 3ddr s ALA 675 Ca 0.15 1.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.96 3ddr s ALA 675 Cb -0.11 -0.09 -0.06 0.00 0.00 0.00 0.00 23.12 22.86 3ddr s ALA 675 CO 0.06 -0.34 0.93 0.71 0.00 0.00 0.00 175.76 177.12 3ddr s TYR 676 N -1.05 3.80 0.06 0.00 1.51 -1.26 -0.63 117.35 119.77 3ddr s TYR 676 Ca -0.10 1.74 -0.07 0.00 -1.01 0.00 0.00 57.07 57.63 3ddr s TYR 676 Cb -0.02 -3.01 -0.01 0.00 -0.11 0.00 0.00 41.96 38.81 3ddr s TYR 676 CO 0.08 0.22 0.13 0.14 -1.11 0.00 0.00 175.55 175.01 3ddr s VAL 677 N -0.02 0.14 0.01 0.71 -7.23 0.25 -4.68 120.40 109.59 3ddr s VAL 677 Ca 0.45 -1.19 -0.28 0.00 -1.81 0.00 0.00 61.98 59.15 3ddr s VAL 677 Cb -0.23 -1.15 -0.04 0.00 0.56 0.00 0.00 36.38 35.53 3ddr s VAL 677 CO 0.29 -0.66 0.91 0.20 -0.31 0.00 0.00 175.10 175.53 3ddr s ASN 678 N -2.50 7.31 0.38 4.85 0.02 -1.26 -1.40 114.94 122.34 3ddr s ASN 678 Ca 0.00 1.58 -0.27 0.00 -1.02 0.00 0.00 52.86 53.16 3ddr s ASN 678 Cb 0.02 -2.54 -0.09 0.00 0.02 0.00 0.00 41.25 38.67 3ddr s ASN 678 CO -0.08 -0.18 1.26 0.21 0.02 0.00 0.00 177.10 178.34 3ddr s ASN 679 N 0.71 6.51 0.00 -1.22 3.84 -0.74 -4.72 114.94 119.32 3ddr s ASN 679 Ca 0.47 2.57 0.25 0.00 0.21 0.00 0.00 52.86 56.37 3ddr s ASN 679 Cb -0.21 -2.63 0.48 0.00 -0.55 0.00 0.00 41.25 38.34 3ddr s ASN 679 CO 0.26 -0.70 1.39 0.18 -2.79 0.00 0.00 177.10 175.44 3ddr n LEU 680 N 0.32 1.00 -4.97 3.21 4.77 0.66 -3.61 117.00 118.39 3ddr n LEU 680 Ca 0.03 -0.28 -0.20 0.00 -0.03 0.00 0.00 56.01 55.54 3ddr n LEU 680 Cb 0.44 -0.13 -0.01 0.00 -2.33 0.00 0.00 43.42 41.39 3ddr n LEU 680 CO 0.55 0.20 0.03 -0.44 -1.33 0.00 0.00 177.39 176.40 3ddr s SER 681 N -2.69 6.00 0.13 -1.43 0.01 -1.26 -4.98 113.70 109.47 3ddr s SER 681 Ca 0.18 -0.15 -0.30 0.00 1.31 0.00 0.00 55.95 56.99 3ddr s SER 681 Cb 0.18 -1.35 -0.06 0.00 0.21 0.00 0.00 66.02 65.00 3ddr s SER 681 CO 0.61 -0.34 1.08 -0.54 0.41 0.00 0.00 173.24 174.46 3ddr s LYS 682 N -4.12 4.58 -0.17 12.44 -0.14 -1.26 -4.23 119.74 126.84 3ddr s LYS 682 Ca 0.42 1.64 -0.09 0.00 -1.36 0.00 0.00 55.97 56.59 3ddr s LYS 682 Cb -0.09 -3.33 -0.05 0.00 -1.68 0.00 0.00 37.83 32.69 3ddr s LYS 682 CO 0.30 0.03 0.12 0.99 -0.76 0.00 0.00 175.35 176.03 3ddr s THR 683 N 0.16 5.32 -0.06 2.17 2.01 0.41 -4.73 115.64 120.92 3ddr s THR 683 Ca 0.51 0.15 -0.02 0.00 0.31 0.00 0.00 61.69 62.64 3ddr s THR 683 Cb -0.27 -3.39 0.04 0.00 0.01 0.00 0.00 72.50 68.89 3ddr s THR 683 CO 0.32 0.50 0.11 0.00 -0.69 0.00 0.00 174.62 174.86 3ddr s ARG 684 N -0.08 0.02 -0.21 4.92 1.70 -1.26 -0.99 118.95 123.06 3ddr s ARG 684 Ca 0.09 0.38 -0.04 0.00 -0.47 0.00 0.00 55.73 55.69 3ddr s ARG 684 Cb -0.11 -0.27 -0.02 0.00 -0.57 0.00 0.00 34.95 33.98 3ddr s ARG 684 CO 0.00 -0.22 -0.02 -0.06 -1.08 0.00 0.00 175.30 173.92 3ddr s PHE 685 N 1.57 2.99 0.03 5.89 0.08 -0.23 -4.91 117.98 123.39 3ddr s PHE 685 Ca -0.04 -0.69 -0.18 0.00 0.12 0.00 0.00 56.93 56.14 3ddr s PHE 685 Cb -0.12 -2.09 0.03 0.00 -0.57 0.00 0.00 43.02 40.27 3ddr s PHE 685 CO -0.05 -0.39 0.39 -0.98 -0.10 0.00 0.00 175.22 174.09 3ddr s ARG 686 N 1.25 0.86 0.00 0.44 1.70 -1.26 -1.02 118.95 120.92 3ddr s ARG 686 Ca 0.03 -0.31 0.00 0.00 -0.47 0.00 0.00 55.73 54.98 3ddr s ARG 686 Cb -0.14 0.38 0.00 0.00 -0.57 0.00 0.00 34.95 34.62 3ddr s ARG 686 CO -0.00 -0.28 0.00 0.41 -1.08 0.00 0.00 175.30 174.35 3ddr n GLY 687 N 0.71 -0.93 2.94 3.88 0.00 -1.06 -0.32 105.19 110.40 3ddr n GLY 687 Ca -0.19 -0.90 -0.20 0.00 0.00 0.00 0.00 46.02 44.73 3ddr n GLY 687 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3ddr s LEU 688 N 0.00 1.54 -0.13 0.99 1.43 0.08 -2.30 118.68 120.29 3ddr s LEU 688 Ca 0.00 -0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 52.94 3ddr s LEU 688 Cb 0.00 -0.48 -0.02 0.00 0.03 0.00 0.00 46.19 45.72 3ddr s LEU 688 CO 0.00 -0.00 -0.09 -1.61 0.23 0.00 0.00 176.35 174.87 3ddr s GLU 689 N 0.60 3.41 -0.14 1.70 2.02 -0.51 -0.28 118.70 125.51 3ddr s GLU 689 Ca -0.09 -0.62 0.01 0.00 0.02 0.00 0.00 54.97 54.30 3ddr s GLU 689 Cb -0.12 -2.72 -0.00 0.00 0.10 0.00 0.00 34.13 31.39 3ddr s GLU 689 CO 0.01 0.27 -0.18 0.71 0.02 0.00 0.00 175.26 176.08 3ddr s TYR 690 N 0.24 2.72 -0.03 1.61 2.02 0.18 -1.75 117.35 122.33 3ddr s TYR 690 Ca -0.06 -1.07 -0.01 0.00 -0.37 0.00 0.00 57.07 55.56 3ddr s TYR 690 Cb -0.15 -1.83 0.03 0.00 -0.40 0.00 0.00 41.96 39.61 3ddr s TYR 690 CO 0.04 -0.47 0.05 1.14 -1.57 0.00 0.00 175.55 174.75 3ddr s GLN 691 N 0.67 -0.03 -0.18 -0.62 -2.07 -0.21 -0.23 119.66 116.99 3ddr s GLN 691 Ca -0.09 0.25 -0.09 0.00 -1.82 0.00 0.00 55.36 53.61 3ddr s GLN 691 Cb -0.16 -0.29 0.06 0.00 -1.09 0.00 0.00 33.01 31.54 3ddr s GLN 691 CO 0.02 -0.20 0.43 -1.17 -1.32 0.00 0.00 175.29 173.05 3ddr s LEU 692 N 1.30 -0.21 -0.09 2.60 0.20 0.61 0.32 118.68 123.41 3ddr s LEU 692 Ca -0.06 0.95 0.01 0.00 0.69 0.00 0.00 54.13 55.71 3ddr s LEU 692 Cb -0.13 1.42 0.02 0.00 -0.43 0.00 0.00 46.19 47.07 3ddr s LEU 692 CO -0.03 -0.20 -0.10 0.21 -0.29 0.00 0.00 176.35 175.93 3ddr s ASN 693 N 1.55 1.99 -0.20 3.68 2.47 0.97 -0.41 114.94 124.99 3ddr s ASN 693 Ca -0.09 -0.31 -0.02 0.00 0.42 0.00 0.00 52.86 52.86 3ddr s ASN 693 Cb -0.09 -0.85 -0.00 0.00 -1.45 0.00 0.00 41.25 38.87 3ddr s ASN 693 CO -0.13 -0.04 -0.10 -0.47 -3.72 0.00 0.00 177.10 172.64 3ddr s TYR 694 N 1.17 2.89 -0.39 0.43 5.04 -0.64 -0.72 117.35 125.13 3ddr s TYR 694 Ca -0.05 -1.11 0.00 0.00 -2.44 0.00 0.00 57.07 53.47 3ddr s TYR 694 Cb -0.14 -2.02 0.11 0.00 0.35 0.00 0.00 41.96 40.26 3ddr s TYR 694 CO -0.02 -0.59 0.15 0.34 -1.34 0.00 0.00 175.55 174.09 3ddr s ASP 695 N 1.30 5.01 0.32 4.32 2.15 -0.57 -1.58 116.67 127.63 3ddr s ASP 695 Ca 0.04 -2.17 -0.01 0.00 0.43 0.00 0.00 52.55 50.84 3ddr s ASP 695 Cb -0.14 -1.74 -0.04 0.00 -0.30 0.00 0.00 42.92 40.70 3ddr s ASP 695 CO -0.05 -0.45 0.54 0.00 -0.17 0.00 0.00 175.17 175.03 3ddr s ALA 696 N 0.92 3.69 0.10 3.66 0.00 -0.99 -1.76 121.76 127.38 3ddr s ALA 696 Ca 0.10 -0.81 -0.25 0.00 0.00 0.00 0.00 51.96 51.00 3ddr s ALA 696 Cb -0.21 -2.15 -0.12 0.00 0.00 0.00 0.00 23.12 20.63 3ddr s ALA 696 CO -0.06 0.08 1.69 0.78 0.00 0.00 0.00 175.76 178.25 3ddr h GLY 697 N 1.08 -0.25 1.92 0.00 0.00 -1.93 -3.14 103.07 100.75 3ddr h GLY 697 Ca -0.49 0.14 -0.05 0.00 0.00 0.00 0.00 47.33 46.93 3ddr h GLY 697 CO 0.63 -0.13 -0.32 -2.08 0.00 0.00 0.00 176.54 174.65 3ddr h VAL 698 N -0.27 0.40 -3.54 4.60 2.07 -1.96 -3.40 116.25 114.14 3ddr h VAL 698 Ca 0.01 -1.58 -0.09 0.00 0.82 0.00 0.00 66.70 65.86 3ddr h VAL 698 Cb 0.26 2.17 -0.15 0.00 -1.52 0.00 0.00 31.29 32.04 3ddr h VAL 698 CO -0.04 0.23 -0.30 0.72 0.02 0.00 0.00 177.57 178.21 3ddr s PHE 699 N -3.10 0.00 0.14 1.57 -0.71 -1.19 -0.36 117.98 114.35 3ddr s PHE 699 Ca 0.05 -0.28 -0.15 0.00 -1.04 0.00 0.00 56.93 55.51 3ddr s PHE 699 Cb 0.06 0.04 0.02 0.00 -1.21 0.00 0.00 43.02 41.94 3ddr s PHE 699 CO 0.71 -0.53 0.39 1.52 -1.34 0.00 0.00 175.22 175.98 3ddr s TYR 700 N -3.18 -0.06 -0.09 3.49 -0.85 -0.39 -2.34 117.35 113.94 3ddr s TYR 700 Ca -0.00 -0.28 -0.05 0.00 -0.52 0.00 0.00 57.07 56.21 3ddr s TYR 700 Cb 0.01 0.21 0.04 0.00 0.38 0.00 0.00 41.96 42.60 3ddr s TYR 700 CO -0.07 -0.74 0.21 0.00 -1.52 0.00 0.00 175.55 173.42 3ddr s ALA 701 N -3.85 -0.47 0.09 9.51 0.00 -0.61 0.07 121.76 126.49 3ddr s ALA 701 Ca 0.07 0.78 0.06 0.00 0.00 0.00 0.00 51.96 52.87 3ddr s ALA 701 Cb 0.02 -0.49 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3ddr s ALA 701 CO -0.08 -0.15 -0.06 0.34 0.00 0.00 0.00 175.76 175.80 3ddr s ASP 702 N 0.86 4.62 -0.13 0.00 2.15 -0.40 -1.61 116.67 122.17 3ddr s ASP 702 Ca -0.06 -0.29 -0.06 0.00 0.43 0.00 0.00 52.55 52.57 3ddr s ASP 702 Cb -0.08 -0.98 0.06 0.00 -0.30 0.00 0.00 42.92 41.62 3ddr s ASP 702 CO -0.05 0.19 0.28 -0.22 -0.17 0.00 0.00 175.17 175.20 3ddr s LEU 703 N -2.13 0.04 -0.00 -1.34 0.20 0.45 -1.20 118.68 114.70 3ddr s LEU 703 Ca 0.22 0.62 0.01 0.00 0.69 0.00 0.00 54.13 55.67 3ddr s LEU 703 Cb -0.11 0.83 -0.00 0.00 -0.43 0.00 0.00 46.19 46.47 3ddr s LEU 703 CO 0.14 -0.20 -0.04 0.42 -0.29 0.00 0.00 176.35 176.38 3ddr s THR 704 N 1.76 0.34 -0.18 3.68 -4.23 -0.08 -0.28 115.64 116.65 3ddr s THR 704 Ca -0.05 -0.18 -0.11 0.00 -1.18 0.00 0.00 61.69 60.17 3ddr s THR 704 Cb -0.11 -0.30 0.06 0.00 1.34 0.00 0.00 72.50 73.49 3ddr s THR 704 CO -0.09 0.10 0.45 -0.47 -0.54 0.00 0.00 174.62 174.07 3ddr s TYR 705 N -0.07 -0.64 -0.14 3.99 5.04 0.68 0.36 117.35 126.57 3ddr s TYR 705 Ca 0.01 1.37 -0.02 0.00 -2.44 0.00 0.00 57.07 56.00 3ddr s TYR 705 Cb -0.02 0.29 -0.02 0.00 0.35 0.00 0.00 41.96 42.56 3ddr s TYR 705 CO -0.00 -0.35 -0.09 0.99 -1.34 0.00 0.00 175.55 174.76 3ddr s THR 706 N 1.23 3.44 -0.34 4.34 2.01 0.61 -0.65 115.64 126.28 3ddr s THR 706 Ca -0.08 -0.52 0.00 0.00 0.31 0.00 0.00 61.69 61.40 3ddr s THR 706 Cb -0.07 -2.47 0.08 0.00 0.01 0.00 0.00 72.50 70.05 3ddr s THR 706 CO -0.11 0.51 0.06 -2.28 -0.69 0.00 0.00 174.62 172.11 3ddr s HIS 707 N 0.31 3.51 0.10 4.92 2.46 0.61 -2.76 115.29 124.45 3ddr s HIS 707 Ca -0.07 -2.44 -0.24 0.00 0.47 0.00 0.00 55.06 52.78 3ddr s HIS 707 Cb -0.15 -2.64 -0.07 0.00 -0.13 0.00 0.00 32.58 29.59 3ddr s HIS 707 CO 0.04 -0.91 0.72 -1.64 -2.47 0.00 0.00 174.74 170.49 3ddr s MET 708 N 1.09 4.46 -0.09 2.88 -1.94 -1.26 -0.74 119.30 123.70 3ddr s MET 708 Ca 0.03 1.02 0.04 0.00 -1.71 0.00 0.00 55.69 55.07 3ddr s MET 708 Cb -0.20 -3.29 0.00 0.00 2.01 0.00 0.00 34.83 33.35 3ddr s MET 708 CO -0.05 0.50 -0.22 0.42 -0.01 0.00 0.00 175.02 175.66 3ddr s ILE 709 N -0.79 1.87 0.00 2.53 1.01 0.56 -4.92 121.20 121.46 3ddr s ILE 709 Ca 0.35 -0.91 0.00 0.00 0.00 0.00 0.00 60.65 60.09 3ddr s ILE 709 Cb -0.21 -1.62 0.00 0.00 0.01 0.00 0.00 42.46 40.63 3ddr s ILE 709 CO 0.23 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.30 3ddr n GLY 710 N 3.54 0.39 3.54 6.18 0.00 -1.26 -4.13 105.19 113.45 3ddr n GLY 710 Ca -0.20 -1.73 -0.25 0.00 0.00 0.00 0.00 46.02 43.85 3ddr n GLY 710 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s LYS 711 N -3.01 1.84 0.13 1.61 1.02 -1.26 -4.83 119.74 115.25 3ddr s LYS 711 Ca 0.00 -1.84 -0.16 0.00 0.02 0.00 0.00 55.97 53.99 3ddr s LYS 711 Cb 0.00 -1.78 0.03 0.00 -0.52 0.00 0.00 37.83 35.57 3ddr s LYS 711 CO 0.00 0.20 0.41 0.54 -0.92 0.00 0.00 175.35 175.59 3ddr s ASN 712 N -3.60 -0.24 0.10 2.83 6.03 -1.26 -4.98 114.94 113.82 3ddr s ASN 712 Ca 0.32 -0.33 0.06 0.00 -1.03 0.00 0.00 52.86 51.88 3ddr s ASN 712 Cb -0.00 0.49 -0.04 0.00 -3.03 0.00 0.00 41.25 38.66 3ddr s ASN 712 CO 0.17 -0.87 -0.04 -1.83 -2.03 0.00 0.00 177.10 172.50 3ddr s GLU 713 N -3.81 2.38 -0.18 3.55 -1.05 -1.26 -4.95 118.70 113.38 3ddr s GLU 713 Ca 0.04 -0.93 -0.07 0.00 -0.15 0.00 0.00 54.97 53.86 3ddr s GLU 713 Cb 0.02 -2.44 -0.04 0.00 -0.44 0.00 0.00 34.13 31.23 3ddr s GLU 713 CO -0.11 0.52 0.04 0.12 0.95 0.00 0.00 175.26 176.78 3ddr s PHE 714 N -1.31 3.20 -0.15 4.83 5.36 -1.26 -4.73 117.98 123.92 3ddr s PHE 714 Ca 0.24 -0.02 -0.03 0.00 -0.96 0.00 0.00 56.93 56.17 3ddr s PHE 714 Cb -0.11 -2.05 0.05 0.00 -0.34 0.00 0.00 43.02 40.56 3ddr s PHE 714 CO 0.17 0.10 0.03 0.00 -1.46 0.00 0.00 175.22 174.06 3ddr n SER 716 N 5.12 1.04 -0.00 0.00 3.41 -1.00 -0.24 113.62 121.94 3ddr n SER 716 Ca -0.08 -0.99 0.08 0.00 -0.26 0.00 0.00 58.87 57.62 3ddr n SER 716 Cb 0.48 0.00 -0.11 0.00 -0.26 0.00 0.00 64.21 64.32 3ddr n SER 716 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3ddr n ASN 717 N -1.94 1.10 0.00 4.04 4.13 -1.26 -1.97 115.26 119.35 3ddr n ASN 717 Ca 0.00 -0.35 0.00 0.00 1.68 0.00 0.00 54.58 55.91 3ddr n ASN 717 Cb 0.00 1.44 0.00 0.00 -1.54 0.00 0.00 39.78 39.68 3ddr n ASN 717 CO 0.00 0.00 0.00 1.17 0.28 0.00 0.00 177.26 178.71 3ddr n LYS 718 N -1.78 0.00 -1.65 3.52 4.81 -1.26 -4.31 118.16 117.49 3ddr n LYS 718 Ca -0.01 0.00 -0.36 0.00 -0.87 0.00 0.00 58.31 57.08 3ddr n LYS 718 Cb 0.35 -0.10 0.04 0.00 0.02 0.00 0.00 35.03 35.34 3ddr n LYS 718 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3ddr n ALA 719 N 0.00 6.40 -1.25 3.14 0.00 -1.26 0.02 120.51 127.57 3ddr n ALA 719 Ca 0.00 -3.69 -0.38 0.00 0.00 0.00 0.00 53.44 49.37 3ddr n ALA 719 Cb 0.00 -1.92 0.03 0.00 0.00 0.00 0.00 19.45 17.56 3ddr n ALA 719 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 177.50 174.83 3ddr n TRP 720 N -0.46 -2.53 0.00 0.00 4.27 -1.26 0.61 117.44 118.07 3ddr n TRP 720 Ca 0.55 0.36 0.00 0.00 -3.89 0.00 0.00 57.50 54.52 3ddr n TRP 720 Cb 0.41 -1.73 0.00 0.00 -1.36 0.00 0.00 31.31 28.63 3ddr n TRP 720 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 3ddr n LEU 721 N 1.83 0.00 0.00 5.67 4.77 -1.26 -4.74 117.00 123.27 3ddr n LEU 721 Ca 0.07 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.05 3ddr n LEU 721 Cb 0.49 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 3ddr n LEU 721 CO 0.53 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.20 3ddr n GLY 722 N -1.41 2.37 3.60 -0.72 0.00 0.20 -4.93 105.19 104.32 3ddr n GLY 722 Ca 0.00 -0.44 -0.23 0.00 0.00 0.00 0.00 46.02 45.36 3ddr n GLY 722 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 723 N 0.00 -0.48 3.75 -0.02 0.00 -1.26 -3.91 105.19 103.28 3ddr n GLY 723 Ca 0.00 0.20 -0.38 0.00 0.00 0.00 0.00 46.02 45.84 3ddr n GLY 723 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3ddr s ARG 724 N -6.08 4.29 -0.06 1.61 1.81 -1.26 -1.52 118.95 117.73 3ddr s ARG 724 Ca 0.41 0.61 -0.04 0.00 -1.72 0.00 0.00 55.73 54.99 3ddr s ARG 724 Cb -0.18 -3.37 -0.04 0.00 -0.45 0.00 0.00 34.95 30.91 3ddr s ARG 724 CO 0.75 0.32 0.13 -0.51 -0.68 0.00 0.00 175.30 175.31 3ddr s LEU 725 N 0.04 4.23 -0.00 2.53 1.43 -0.09 -0.02 118.68 126.80 3ddr s LEU 725 Ca 0.29 0.35 0.04 0.00 -1.03 0.00 0.00 54.13 53.78 3ddr s LEU 725 Cb -0.17 -2.26 -0.01 0.00 0.03 0.00 0.00 46.19 43.78 3ddr s LEU 725 CO 0.14 0.34 -0.13 -0.60 0.23 0.00 0.00 176.35 176.34 3ddr s ARG 726 N -1.42 1.01 0.11 1.70 3.52 0.48 -4.31 118.95 120.04 3ddr s ARG 726 Ca 0.20 -0.48 -0.31 0.00 -0.13 0.00 0.00 55.73 55.01 3ddr s ARG 726 Cb -0.12 -0.98 -0.09 0.00 -1.56 0.00 0.00 34.95 32.20 3ddr s ARG 726 CO 0.10 0.27 1.56 0.71 -0.81 0.00 0.00 175.30 177.12 3ddr s TYR 727 N -0.36 2.84 0.00 5.12 2.02 -1.26 0.68 117.35 126.40 3ddr s TYR 727 Ca 0.04 0.58 0.00 0.00 -0.37 0.00 0.00 57.07 57.33 3ddr s TYR 727 Cb -0.05 -3.88 0.00 0.00 -0.40 0.00 0.00 41.96 37.63 3ddr s TYR 727 CO -0.00 -3.34 0.00 0.41 -1.57 0.00 0.00 175.55 171.05 3ddr n GLY 728 N 3.79 -1.59 3.53 0.71 0.00 -1.02 -4.86 105.19 105.75 3ddr n GLY 728 Ca 0.14 -1.55 -0.40 0.00 0.00 0.00 0.00 46.02 44.22 3ddr n GLY 728 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ddr n ASP 729 N -1.70 4.46 -4.22 1.61 9.92 -1.26 -4.89 116.55 120.47 3ddr n ASP 729 Ca 0.00 -2.87 -0.18 0.00 -0.53 0.00 0.00 54.79 51.21 3ddr n ASP 729 Cb 0.00 -1.73 -0.11 0.00 -0.64 0.00 0.00 41.12 38.63 3ddr n ASP 729 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 3ddr s GLY 730 N 4.67 1.01 0.54 0.44 0.00 -1.26 -5.07 107.32 107.65 3ddr s GLY 730 Ca 0.57 -1.19 0.02 0.00 0.00 0.00 0.00 44.72 44.13 3ddr s GLY 730 CO 0.08 -1.23 0.18 -1.35 0.00 0.00 0.00 173.10 170.78 3ddr s SER 731 N -2.16 4.36 0.59 1.64 1.04 0.13 -4.88 113.70 114.42 3ddr s SER 731 Ca 0.05 -1.53 0.33 0.00 0.48 0.00 0.00 55.95 55.28 3ddr s SER 731 Cb -0.07 0.62 1.85 0.00 0.10 0.00 0.00 66.02 68.51 3ddr s SER 731 CO 0.03 -1.03 2.22 0.03 0.98 0.00 0.00 173.24 175.48 3ddr h ARG 732 N 1.03 0.00 0.00 4.02 3.08 -1.91 -3.01 114.38 117.59 3ddr h ARG 732 Ca -0.41 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.64 3ddr h ARG 732 Cb 1.32 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.37 3ddr h ARG 732 CO 0.66 0.03 0.00 2.89 -1.07 0.00 0.00 179.97 182.48 3ddr n ARG 733 N -3.59 0.00 -0.03 0.04 1.85 -1.26 -4.42 116.66 109.24 3ddr n ARG 733 Ca -0.03 0.00 -0.16 0.00 -1.00 0.00 0.00 57.85 56.67 3ddr n ARG 733 Cb 0.13 0.00 -0.14 0.00 -1.05 0.00 0.00 32.46 31.40 3ddr n ARG 733 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ddr n GLY 734 N 3.40 -0.72 2.16 2.89 0.00 -1.26 -3.63 105.19 108.03 3ddr n GLY 734 Ca 0.00 -0.20 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 3ddr n GLY 734 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ddr n ASN 735 N -3.23 2.02 -4.57 1.61 4.13 -1.26 -2.58 115.26 111.38 3ddr n ASN 735 Ca -0.29 -1.78 -0.42 0.00 1.68 0.00 0.00 54.58 53.77 3ddr n ASN 735 Cb 1.05 -0.51 -0.06 0.00 -1.54 0.00 0.00 39.78 38.73 3ddr n ASN 735 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3ddr s PHE 736 N 1.94 3.10 -0.00 3.10 0.08 -1.14 0.18 117.98 125.24 3ddr s PHE 736 Ca 0.18 0.43 -0.12 0.00 0.12 0.00 0.00 56.93 57.54 3ddr s PHE 736 Cb 0.09 -3.39 0.01 0.00 -0.57 0.00 0.00 43.02 39.17 3ddr s PHE 736 CO 0.00 -0.76 0.24 1.52 -0.10 0.00 0.00 175.22 176.12 3ddr s TYR 737 N 3.04 -0.09 0.17 0.36 1.13 -1.26 -2.66 117.35 118.03 3ddr s TYR 737 Ca 0.29 0.09 0.06 0.00 -1.41 0.00 0.00 57.07 56.10 3ddr s TYR 737 Cb -0.13 0.04 -0.04 0.00 -1.10 0.00 0.00 41.96 40.72 3ddr s TYR 737 CO 0.17 -0.35 0.08 0.14 -2.51 0.00 0.00 175.55 173.08 3ddr s VAL 738 N -1.40 4.15 0.13 -3.49 -7.23 -0.51 -2.45 120.40 109.60 3ddr s VAL 738 Ca -0.14 -1.23 0.04 0.00 -1.81 0.00 0.00 61.98 58.84 3ddr s VAL 738 Cb -0.06 -3.10 -0.04 0.00 0.56 0.00 0.00 36.38 33.73 3ddr s VAL 738 CO 0.03 -0.11 -0.09 -1.83 -0.31 0.00 0.00 175.10 172.79 3ddr s GLU 739 N -3.03 0.97 0.26 4.82 -1.05 0.21 -4.12 118.70 116.76 3ddr s GLU 739 Ca 0.29 -1.38 -0.30 0.00 -0.15 0.00 0.00 54.97 53.44 3ddr s GLU 739 Cb -0.10 -0.50 -0.10 0.00 -0.44 0.00 0.00 34.13 32.99 3ddr s GLU 739 CO 0.21 0.05 1.35 -2.14 0.95 0.00 0.00 175.26 175.68 3ddr s PRO 740 N -3.63 4.34 -0.71 -4.83 0.02 -1.26 -0.38 135.00 128.55 3ddr s PRO 740 Ca 0.14 2.18 -0.09 0.00 0.02 0.00 0.00 61.00 63.25 3ddr s PRO 740 Cb 0.02 -3.13 0.19 0.00 0.02 0.00 0.00 34.50 31.60 3ddr s PRO 740 CO -0.01 -0.28 0.59 0.34 -0.33 0.00 0.00 177.00 177.31 3ddr s ASP 741 N 0.06 6.01 0.32 2.53 2.15 0.98 -4.78 116.67 123.95 3ddr s ASP 741 Ca 0.55 -2.69 0.03 0.00 0.43 0.00 0.00 52.55 50.87 3ddr s ASP 741 Cb -0.39 -2.04 0.55 0.00 -0.30 0.00 0.00 42.92 40.73 3ddr s ASP 741 CO 0.44 -0.50 1.85 0.00 -0.17 0.00 0.00 175.17 176.79 3ddr h ALA 742 N 7.52 1.31 -0.51 3.66 0.00 -1.94 -2.50 119.26 126.82 3ddr h ALA 742 Ca 0.02 -0.22 0.01 0.00 0.00 0.00 0.00 54.91 54.73 3ddr h ALA 742 Cb 1.01 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3ddr h ALA 742 CO 0.75 0.47 0.32 0.00 0.00 0.00 0.00 179.25 180.79 3ddr h ALA 743 N 1.45 0.65 -0.12 0.00 0.00 -1.97 0.45 119.26 119.72 3ddr h ALA 743 Ca 0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 3ddr h ALA 743 Cb 0.37 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 3ddr h ALA 743 CO 0.01 0.05 -0.17 1.03 0.00 0.00 0.00 179.25 180.16 3ddr h SER 744 N 0.64 0.18 -0.02 0.00 0.87 -1.86 -1.79 113.55 111.58 3ddr h SER 744 Ca 0.19 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.70 3ddr h SER 744 Cb -0.03 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 61.88 3ddr h SER 744 CO -0.07 0.38 -0.03 0.78 -0.53 0.00 0.00 176.83 177.36 3ddr h ASN 745 N 0.18 0.06 0.03 6.23 2.35 -0.94 -3.18 115.58 120.30 3ddr h ASN 745 Ca 0.03 -0.56 0.00 0.00 -0.55 0.00 0.00 56.30 55.23 3ddr h ASN 745 Cb 0.42 -0.02 0.00 0.00 0.05 0.00 0.00 38.32 38.77 3ddr h ASN 745 CO 0.03 0.60 0.00 0.47 -1.65 0.00 0.00 177.43 176.88 3ddr n ASP 746 N -4.78 0.00 -4.72 5.81 8.00 0.08 -4.70 116.55 116.24 3ddr n ASP 746 Ca -0.08 -0.83 -0.42 0.00 0.71 0.00 0.00 54.79 54.17 3ddr n ASP 746 Cb 0.30 -0.01 -0.03 0.00 -0.02 0.00 0.00 41.12 41.35 3ddr n ASP 746 CO 0.00 0.00 0.00 0.12 -0.39 0.00 0.00 177.20 176.93 3ddr s PHE 747 N -2.03 3.42 -0.09 1.24 2.19 -0.68 -5.01 117.98 117.01 3ddr s PHE 747 Ca 0.41 1.32 0.02 0.00 0.33 0.00 0.00 56.93 59.01 3ddr s PHE 747 Cb 0.19 -3.45 0.01 0.00 -1.31 0.00 0.00 43.02 38.46 3ddr s PHE 747 CO 0.33 -1.35 -0.15 0.08 1.83 0.00 0.00 175.22 175.95 3ddr s VAL 748 N 0.58 1.44 0.17 3.12 1.01 -1.26 -4.25 120.40 121.21 3ddr s VAL 748 Ca 0.57 -0.63 0.06 0.00 0.00 0.00 0.00 61.98 61.98 3ddr s VAL 748 Cb -0.32 -1.31 -0.04 0.00 0.00 0.00 0.00 36.38 34.72 3ddr s VAL 748 CO 0.32 0.43 0.05 0.42 0.00 0.00 0.00 175.10 176.32 3ddr s THR 749 N 0.78 4.03 -0.13 3.92 -4.23 -0.83 -4.98 115.64 114.19 3ddr s THR 749 Ca -0.11 -1.29 -0.01 0.00 -1.18 0.00 0.00 61.69 59.10 3ddr s THR 749 Cb -0.16 -3.04 0.04 0.00 1.34 0.00 0.00 72.50 70.68 3ddr s THR 749 CO 0.02 -0.11 -0.02 0.00 -0.54 0.00 0.00 174.62 173.97 3ddr n ASP 751 N 5.02 0.00 -4.01 0.00 8.00 -0.37 -4.87 116.55 120.31 3ddr n ASP 751 Ca -0.10 0.00 -0.31 0.00 0.71 0.00 0.00 54.79 55.09 3ddr n ASP 751 Cb 0.49 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.59 3ddr n ASP 751 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ddr n GLY 752 N 0.00 -0.43 2.32 0.44 0.00 -1.26 -1.97 105.19 104.29 3ddr n GLY 752 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 3ddr n GLY 752 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ddr n GLY 753 N -1.62 0.76 0.01 -0.02 0.00 -1.26 -4.87 105.19 98.18 3ddr n GLY 753 Ca -0.02 -0.39 0.13 0.00 0.00 0.00 0.00 46.02 45.74 3ddr n GLY 753 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3ddr n THR 754 N -3.18 0.00 0.07 2.61 -2.24 -0.83 -4.59 114.28 106.11 3ddr n THR 754 Ca -0.14 -0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.61 3ddr n THR 754 Cb 0.50 -0.15 -0.01 0.00 -2.10 0.00 0.00 70.33 68.56 3ddr n THR 754 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 3ddr h GLN 755 N 0.04 -0.18 -4.35 -0.78 4.15 -1.84 -2.15 115.11 110.00 3ddr h GLN 755 Ca 0.00 0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.31 3ddr h GLN 755 Cb 0.49 0.04 0.10 0.00 0.21 0.00 0.00 27.48 28.32 3ddr h GLN 755 CO 0.00 -0.12 -0.41 0.34 -1.93 0.00 0.00 178.83 176.71 3ddr n PHE 756 N -2.61 -1.40 0.00 3.99 -0.00 -1.25 -3.85 117.46 112.33 3ddr n PHE 756 Ca -0.02 0.49 0.00 0.00 -0.00 0.00 0.00 57.45 57.92 3ddr n PHE 756 Cb 0.07 -3.34 0.00 0.00 -0.00 0.00 0.00 39.48 36.22 3ddr n PHE 756 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3ddr n GLY 757 N -1.36 0.87 0.28 7.13 0.00 -1.26 -4.42 105.19 106.42 3ddr n GLY 757 Ca -0.03 -0.72 0.16 0.00 0.00 0.00 0.00 46.02 45.42 3ddr n GLY 757 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 3ddr h SER 758 N 0.00 0.00 0.11 1.61 0.02 -1.72 -2.45 113.55 111.12 3ddr h SER 758 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3ddr h SER 758 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 3ddr h SER 758 CO 0.00 0.08 0.00 0.00 -1.14 0.00 0.00 176.83 175.77 3ddr n ALA 759 N -2.19 1.67 0.03 3.77 0.00 -1.26 -2.17 120.51 120.37 3ddr n ALA 759 Ca -0.01 -0.05 0.05 0.00 0.00 0.00 0.00 53.44 53.43 3ddr n ALA 759 Cb 0.25 -1.15 0.45 0.00 0.00 0.00 0.00 19.45 19.01 3ddr n ALA 759 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3ddr h ALA 760 N 2.47 1.75 -2.79 0.00 0.00 -1.83 -3.43 119.26 115.44 3ddr h ALA 760 Ca 0.00 -0.02 -0.38 0.00 0.00 0.00 0.00 54.91 54.51 3ddr h ALA 760 Cb 0.06 -0.14 -0.18 0.00 0.00 0.00 0.00 17.79 17.52 3ddr h ALA 760 CO 0.00 0.22 -0.75 0.71 0.00 0.00 0.00 179.25 179.44 3ddr s TYR 761 N -5.44 1.28 0.27 0.00 1.51 -0.92 -4.87 117.35 109.18 3ddr s TYR 761 Ca -0.08 -0.60 -0.13 0.00 -1.01 0.00 0.00 57.07 55.25 3ddr s TYR 761 Cb 0.17 -0.67 -0.08 0.00 -0.11 0.00 0.00 41.96 41.27 3ddr s TYR 761 CO 0.72 0.10 0.65 -0.51 -1.11 0.00 0.00 175.55 175.40 3ddr s LEU 762 N -2.51 4.14 0.75 -1.29 1.02 -1.26 -5.00 118.68 114.53 3ddr s LEU 762 Ca 0.08 1.12 -0.15 0.00 0.02 0.00 0.00 54.13 55.21 3ddr s LEU 762 Cb -0.04 -3.85 0.05 0.00 0.02 0.00 0.00 46.19 42.38 3ddr s LEU 762 CO 0.02 -0.12 1.23 -2.65 0.02 0.00 0.00 176.35 174.85 3ddr n PRO 763 N -0.15 0.50 -1.61 1.29 -0.02 -1.26 -5.01 135.00 128.74 3ddr n PRO 763 Ca 0.01 0.24 -0.30 0.00 -2.02 0.00 0.00 63.50 61.44 3ddr n PRO 763 Cb 0.53 -2.47 0.18 0.00 -0.02 0.00 0.00 33.50 31.72 3ddr n PRO 763 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3ddr s GLY 764 N -1.86 1.66 0.37 -1.23 0.00 -1.26 -4.75 107.32 100.25 3ddr s GLY 764 Ca 0.77 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 3ddr s GLY 764 CO 0.47 -0.19 1.02 0.99 0.00 0.00 0.00 173.10 175.39 3ddr s ASP 765 N -4.38 6.98 0.05 1.64 1.11 -1.26 -4.76 116.67 116.05 3ddr s ASP 765 Ca 0.70 1.99 -0.27 0.00 0.18 0.00 0.00 52.55 55.14 3ddr s ASP 765 Cb -0.09 -2.59 0.08 0.00 1.07 0.00 0.00 42.92 41.39 3ddr s ASP 765 CO 0.54 -0.33 0.68 0.00 1.18 0.00 0.00 175.17 177.24 3ddr s ARG 766 N -2.29 1.12 0.19 8.23 1.70 -1.11 -3.91 118.95 122.88 3ddr s ARG 766 Ca 0.54 -0.16 -0.07 0.00 -0.47 0.00 0.00 55.73 55.57 3ddr s ARG 766 Cb -0.21 0.52 0.03 0.00 -0.57 0.00 0.00 34.95 34.71 3ddr s ARG 766 CO 0.27 -0.44 0.38 0.41 -1.08 0.00 0.00 175.30 174.84 3ddr n GLY 767 N 0.15 1.53 3.03 3.88 0.00 -0.97 -0.28 105.19 112.52 3ddr n GLY 767 Ca -0.16 -1.13 -0.09 0.00 0.00 0.00 0.00 46.02 44.63 3ddr n GLY 767 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3ddr s SER 768 N -1.99 0.46 -0.02 1.61 1.04 0.16 -2.16 113.70 112.80 3ddr s SER 768 Ca 0.08 -0.64 0.02 0.00 0.48 0.00 0.00 55.95 55.88 3ddr s SER 768 Cb -0.02 0.11 0.00 0.00 0.10 0.00 0.00 66.02 66.21 3ddr s SER 768 CO 0.06 -0.35 -0.07 0.54 0.98 0.00 0.00 173.24 174.40 3ddr s VAL 769 N -2.07 0.59 0.03 5.02 0.11 -0.70 -0.90 120.40 122.48 3ddr s VAL 769 Ca -0.09 -0.26 0.02 0.00 -2.93 0.00 0.00 61.98 58.73 3ddr s VAL 769 Cb -0.05 -0.53 -0.02 0.00 -1.53 0.00 0.00 36.38 34.24 3ddr s VAL 769 CO -0.03 0.19 -0.08 0.42 -3.33 0.00 0.00 175.10 172.28 3ddr s THR 770 N 0.22 0.58 -0.25 5.04 -4.23 -0.34 0.78 115.64 117.44 3ddr s THR 770 Ca -0.03 -0.85 -0.01 0.00 -1.18 0.00 0.00 61.69 59.63 3ddr s THR 770 Cb -0.07 -0.60 0.07 0.00 1.34 0.00 0.00 72.50 73.24 3ddr s THR 770 CO 0.00 -0.20 0.02 -0.76 -0.54 0.00 0.00 174.62 173.14 3ddr s LEU 771 N -1.15 2.19 0.21 4.79 1.43 0.22 -1.27 118.68 125.10 3ddr s LEU 771 Ca -0.05 -1.26 0.06 0.00 -1.03 0.00 0.00 54.13 51.84 3ddr s LEU 771 Cb -0.08 -0.94 -0.04 0.00 0.03 0.00 0.00 46.19 45.17 3ddr s LEU 771 CO 0.00 -0.32 0.21 -0.83 0.23 0.00 0.00 176.35 175.65 3ddr s GLY 772 N 1.57 1.51 -0.20 -3.19 0.00 0.11 -2.34 107.32 104.78 3ddr s GLY 772 Ca 0.01 -1.28 -0.04 0.00 0.00 0.00 0.00 44.72 43.41 3ddr s GLY 772 CO -0.12 -1.30 0.31 -0.32 0.00 0.00 0.00 173.10 171.67 3ddr s GLY 773 N -3.56 -0.22 0.47 0.20 0.00 0.11 -1.26 107.32 103.05 3ddr s GLY 773 Ca 0.33 0.78 -0.03 0.00 0.00 0.00 0.00 44.72 45.80 3ddr s GLY 773 CO 0.26 2.34 0.73 0.50 0.00 0.00 0.00 173.10 176.92 3ddr s ARG 774 N 2.46 3.27 0.27 2.90 0.52 0.52 -2.55 118.95 126.33 3ddr s ARG 774 Ca 0.07 -0.15 -0.20 0.00 -0.52 0.00 0.00 55.73 54.93 3ddr s ARG 774 Cb -0.14 -2.47 0.05 0.00 0.52 0.00 0.00 34.95 32.91 3ddr s ARG 774 CO -0.13 -0.25 0.86 0.00 0.02 0.00 0.00 175.30 175.81 3ddr s ALA 775 N -2.65 -1.23 -1.28 2.13 0.00 -0.56 -4.75 121.76 113.42 3ddr s ALA 775 Ca 0.47 -0.38 -0.12 0.00 0.00 0.00 0.00 51.96 51.93 3ddr s ALA 775 Cb -0.10 0.73 0.00 0.00 0.00 0.00 0.00 23.12 23.75 3ddr s ALA 775 CO 0.41 -1.03 0.58 1.19 0.00 0.00 0.00 175.76 176.91 3ddr n PHE 776 N -0.54 -1.71 -3.10 0.00 3.72 -1.26 -0.57 117.46 114.00 3ddr n PHE 776 Ca -0.06 0.55 -0.18 0.00 -0.05 0.00 0.00 57.45 57.72 3ddr n PHE 776 Cb 0.60 -3.49 0.05 0.00 -0.94 0.00 0.00 39.48 35.69 3ddr n PHE 776 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 3ddr n ASP 777 N -2.77 -5.21 -3.29 4.37 8.00 -1.26 -2.52 116.55 113.87 3ddr n ASP 777 Ca -0.20 -0.32 -0.24 0.00 0.71 0.00 0.00 54.79 54.74 3ddr n ASP 777 Cb 0.64 -3.92 0.02 0.00 -0.02 0.00 0.00 41.12 37.83 3ddr n ASP 777 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3ddr n ARG 778 N -3.61 -4.45 -0.06 -1.24 1.74 0.26 -4.85 116.66 104.46 3ddr n ARG 778 Ca -0.04 0.68 -0.05 0.00 -0.77 0.00 0.00 57.85 57.67 3ddr n ARG 778 Cb 0.57 -5.49 -0.15 0.00 -1.02 0.00 0.00 32.46 26.37 3ddr n ARG 778 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 3ddr n LYS 779 N -4.02 0.67 -3.96 5.56 5.02 -0.62 -4.85 118.16 115.97 3ddr n LYS 779 Ca -0.05 0.04 -0.35 0.00 -2.02 0.00 0.00 58.31 55.94 3ddr n LYS 779 Cb 0.57 -1.60 -0.14 0.00 -0.02 0.00 0.00 35.03 33.84 3ddr n LYS 779 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3ddr s LEU 780 N -5.48 3.09 -0.12 -0.35 2.96 -1.14 -0.51 118.68 117.12 3ddr s LEU 780 Ca -0.08 -0.78 0.01 0.00 -0.22 0.00 0.00 54.13 53.07 3ddr s LEU 780 Cb 0.08 -1.67 -0.01 0.00 0.50 0.00 0.00 46.19 45.09 3ddr s LEU 780 CO 0.84 -0.10 -0.17 -0.62 -1.32 0.00 0.00 176.35 174.97 3ddr s ASP 781 N 1.35 3.63 0.12 3.68 2.15 0.10 -1.49 116.67 126.21 3ddr s ASP 781 Ca 0.01 -0.43 -0.12 0.00 0.43 0.00 0.00 52.55 52.44 3ddr s ASP 781 Cb -0.16 -1.53 0.01 0.00 -0.30 0.00 0.00 42.92 40.94 3ddr s ASP 781 CO -0.05 0.15 0.30 0.00 -0.17 0.00 0.00 175.17 175.40 3ddr s ALA 782 N 0.43 -0.49 0.00 3.66 0.00 -1.06 0.16 121.76 124.46 3ddr s ALA 782 Ca -0.13 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 51.40 3ddr s ALA 782 Cb -0.17 0.64 0.00 0.00 0.00 0.00 0.00 23.12 23.60 3ddr s ALA 782 CO 0.06 -0.60 0.00 0.41 0.00 0.00 0.00 175.76 175.63 3ddr n GLY 783 N -0.16 0.25 3.47 0.00 0.00 -0.90 0.05 105.19 107.90 3ddr n GLY 783 Ca -0.14 -1.21 -0.31 0.00 0.00 0.00 0.00 46.02 44.36 3ddr n GLY 783 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ddr s VAL 784 N -2.00 2.93 -0.07 1.61 0.11 -0.99 -1.57 120.40 120.43 3ddr s VAL 784 Ca 0.00 -1.05 0.03 0.00 -2.93 0.00 0.00 61.98 58.03 3ddr s VAL 784 Cb 0.00 -2.22 -0.02 0.00 -1.53 0.00 0.00 36.38 32.61 3ddr s VAL 784 CO 0.00 0.39 -0.17 -0.89 -3.33 0.00 0.00 175.10 171.11 3ddr s THR 785 N -0.89 2.81 -0.30 5.04 2.01 0.67 -0.61 115.64 124.37 3ddr s THR 785 Ca 0.14 -0.80 0.02 0.00 0.31 0.00 0.00 61.69 61.37 3ddr s THR 785 Cb -0.11 -2.10 0.07 0.00 0.01 0.00 0.00 72.50 70.37 3ddr s THR 785 CO 0.05 0.57 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.83 3ddr s VAL 786 N -0.37 2.44 -0.13 3.82 1.01 0.23 -0.69 120.40 126.72 3ddr s VAL 786 Ca 0.03 -1.79 -0.22 0.00 0.00 0.00 0.00 61.98 60.00 3ddr s VAL 786 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.69 3ddr s VAL 786 CO 0.02 -0.23 0.65 -0.13 0.00 0.00 0.00 175.10 175.41 3ddr s ARG 787 N 1.08 4.33 0.13 2.72 0.52 -0.74 -1.72 118.95 125.28 3ddr s ARG 787 Ca -0.02 0.73 -0.05 0.00 -0.52 0.00 0.00 55.73 55.87 3ddr s ARG 787 Cb -0.20 -3.50 -0.02 0.00 0.52 0.00 0.00 34.95 31.75 3ddr s ARG 787 CO -0.05 -0.06 0.16 -0.59 0.02 0.00 0.00 175.30 174.78 3ddr s PHE 788 N 1.28 0.52 -0.20 -0.53 -0.12 -0.92 0.96 117.98 118.98 3ddr s PHE 788 Ca 0.33 -0.92 -0.19 0.00 -0.05 0.00 0.00 56.93 56.10 3ddr s PHE 788 Cb -0.16 -0.23 0.05 0.00 -0.63 0.00 0.00 43.02 42.05 3ddr s PHE 788 CO 0.14 -0.59 0.53 0.00 -0.05 0.00 0.00 175.22 175.25 3ddr s ALA 789 N -3.97 -1.32 0.05 1.99 0.00 -0.65 -2.30 121.76 115.57 3ddr s ALA 789 Ca 0.16 1.49 -0.17 0.00 0.00 0.00 0.00 51.96 53.44 3ddr s ALA 789 Cb 0.05 -0.85 -0.16 0.00 0.00 0.00 0.00 23.12 22.16 3ddr s ALA 789 CO -0.02 -0.25 1.28 -1.35 0.00 0.00 0.00 175.76 175.41 3ddr h PRO 790 N 5.26 0.54 0.00 0.00 0.11 -1.86 -2.74 132.00 133.31 3ddr h PRO 790 Ca -0.28 -0.39 0.00 0.00 0.11 0.00 0.00 66.00 65.44 3ddr h PRO 790 Cb 1.17 0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.35 3ddr h PRO 790 CO 0.17 1.01 0.00 0.41 -0.21 0.00 0.00 178.00 179.38 3ddr n GLY 791 N 0.55 3.92 2.77 -0.55 0.00 -1.26 -3.41 105.19 107.20 3ddr n GLY 791 Ca -0.07 -1.42 -0.18 0.00 0.00 0.00 0.00 46.02 44.35 3ddr n GLY 791 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3ddr s TYR 792 N -1.23 -0.07 -0.04 1.61 5.04 0.37 -4.81 117.35 118.21 3ddr s TYR 792 Ca 0.00 0.44 -0.03 0.00 -2.44 0.00 0.00 57.07 55.04 3ddr s TYR 792 Cb 0.00 -0.35 0.01 0.00 0.35 0.00 0.00 41.96 41.98 3ddr s TYR 792 CO 0.00 -0.23 0.10 -0.65 -1.34 0.00 0.00 175.55 173.43 3ddr s GLN 793 N 2.16 0.10 -0.41 4.97 -0.21 -1.25 -1.34 119.66 123.67 3ddr s GLN 793 Ca 0.03 0.16 -0.09 0.00 0.02 0.00 0.00 55.36 55.48 3ddr s GLN 793 Cb -0.12 0.02 0.07 0.00 1.00 0.00 0.00 33.01 33.98 3ddr s GLN 793 CO -0.04 -0.03 0.24 0.34 -2.12 0.00 0.00 175.29 173.67 3ddr s ASP 794 N 0.21 5.59 0.04 5.90 2.15 -0.58 -4.90 116.67 125.07 3ddr s ASP 794 Ca -0.01 -1.48 0.25 0.00 0.43 0.00 0.00 52.55 51.74 3ddr s ASP 794 Cb -0.02 -1.97 0.59 0.00 -0.30 0.00 0.00 42.92 41.21 3ddr s ASP 794 CO -0.01 -0.51 1.48 -1.20 -0.17 0.00 0.00 175.17 174.76 3ddr n SER 795 N 4.89 0.48 -0.63 -0.34 7.64 -1.26 -4.11 113.62 120.29 3ddr n SER 795 Ca -0.10 -0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.77 3ddr n SER 795 Cb 0.43 0.08 0.04 0.00 -1.01 0.00 0.00 64.21 63.76 3ddr n SER 795 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 3ddr n SER 796 N -1.68 1.46 -4.01 6.43 3.41 -1.26 -4.78 113.62 113.20 3ddr n SER 796 Ca 0.05 -2.09 -0.14 0.00 -0.26 0.00 0.00 58.87 56.43 3ddr n SER 796 Cb 0.37 -0.51 -0.13 0.00 -0.26 0.00 0.00 64.21 63.68 3ddr n SER 796 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 3ddr s VAL 797 N -1.20 0.46 0.29 -3.33 -7.23 -1.26 -5.12 120.40 103.01 3ddr s VAL 797 Ca 0.06 -0.66 -0.30 0.00 -1.81 0.00 0.00 61.98 59.27 3ddr s VAL 797 Cb 0.04 -0.47 -0.12 0.00 0.56 0.00 0.00 36.38 36.40 3ddr s VAL 797 CO 0.02 -0.15 1.58 -2.65 -0.31 0.00 0.00 175.10 173.59 3ddr n PRO 798 N 2.19 2.65 0.00 4.82 -0.02 -1.26 -4.81 135.00 138.56 3ddr n PRO 798 Ca -0.18 0.94 0.00 0.00 -2.02 0.00 0.00 63.50 62.24 3ddr n PRO 798 Cb 0.56 -2.72 0.00 0.00 -0.02 0.00 0.00 33.50 31.33 3ddr n PRO 798 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3ddr n SER 799 N 2.19 0.01 0.02 2.55 7.64 -1.26 -2.13 113.62 122.64 3ddr n SER 799 Ca 0.09 -0.81 0.11 0.00 1.01 0.00 0.00 58.87 59.27 3ddr n SER 799 Cb 0.36 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 3ddr n SER 799 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 3ddr n ASN 800 N -0.48 0.57 -4.66 6.43 6.94 -1.26 -4.90 115.26 117.90 3ddr n ASN 800 Ca 0.00 -0.28 -0.39 0.00 -0.02 0.00 0.00 54.58 53.89 3ddr n ASN 800 Cb 0.00 1.02 0.04 0.00 -2.36 0.00 0.00 39.78 38.49 3ddr n ASN 800 CO 0.00 0.00 0.00 -1.22 -1.03 0.00 0.00 177.26 175.01 3ddr n TYR 801 N -1.96 1.45 0.07 -2.53 4.01 -0.91 -4.91 117.16 112.38 3ddr n TYR 801 Ca 0.01 0.45 -0.06 0.00 -0.16 0.00 0.00 57.90 58.15 3ddr n TYR 801 Cb 0.45 -2.24 -0.08 0.00 -0.31 0.00 0.00 39.34 37.16 3ddr n TYR 801 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3ddr h PRO 802 N 0.98 0.00 -4.73 -0.72 0.11 -1.90 -3.41 132.00 122.33 3ddr h PRO 802 Ca -0.49 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 64.94 3ddr h PRO 802 Cb 1.34 0.00 -0.33 0.00 0.11 0.00 0.00 31.00 32.11 3ddr h PRO 802 CO 0.54 0.92 -0.68 0.71 -0.21 0.00 0.00 178.00 179.28 3ddr s TYR 803 N -2.82 3.33 0.29 0.65 2.02 -1.26 -4.35 117.35 115.22 3ddr s TYR 803 Ca 0.01 -2.00 0.08 0.00 -0.37 0.00 0.00 57.07 54.78 3ddr s TYR 803 Cb 0.10 -2.31 -0.04 0.00 -0.40 0.00 0.00 41.96 39.32 3ddr s TYR 803 CO 0.81 -0.84 0.18 -0.51 -1.57 0.00 0.00 175.55 173.62 3ddr s LEU 804 N 1.22 3.54 -0.74 -1.29 1.43 -1.26 -4.99 118.68 116.60 3ddr s LEU 804 Ca -0.03 -0.48 -0.07 0.00 -1.03 0.00 0.00 54.13 52.52 3ddr s LEU 804 Cb -0.20 -2.09 0.19 0.00 0.03 0.00 0.00 46.19 44.12 3ddr s LEU 804 CO -0.02 -0.17 0.60 0.00 0.23 0.00 0.00 176.35 177.00 3ddr s ALA 805 N -2.27 3.85 -0.56 4.21 0.00 -1.26 -4.76 121.76 120.97 3ddr s ALA 805 Ca 0.36 -3.37 0.06 0.00 0.00 0.00 0.00 51.96 49.01 3ddr s ALA 805 Cb -0.06 -3.00 0.22 0.00 0.00 0.00 0.00 23.12 20.29 3ddr s ALA 805 CO 0.24 -2.18 0.59 -3.47 0.00 0.00 0.00 175.76 170.94 3ddr n ASP 806 N 3.50 2.13 -3.69 0.00 2.03 -1.26 -1.52 116.55 117.74 3ddr n ASP 806 Ca 0.12 -3.07 -0.29 0.00 0.52 0.00 0.00 54.79 52.07 3ddr n ASP 806 Cb 0.41 -0.66 -0.13 0.00 -0.72 0.00 0.00 41.12 40.02 3ddr n ASP 806 CO 0.00 0.00 0.00 0.26 -1.92 0.00 0.00 177.20 175.54 3ddr s TRP 807 N -1.62 2.01 0.87 -0.67 0.51 -0.45 -4.73 118.94 114.85 3ddr s TRP 807 Ca 0.35 -2.48 -0.12 0.00 -2.12 0.00 0.00 56.10 51.73 3ddr s TRP 807 Cb 0.10 -1.85 0.11 0.00 -0.81 0.00 0.00 33.47 31.03 3ddr s TRP 807 CO -0.09 -0.77 1.10 -2.14 -0.51 0.00 0.00 176.95 174.54 3ddr s PRO 808 N 0.18 1.50 0.65 4.98 0.02 -1.26 -0.48 135.00 140.59 3ddr s PRO 808 Ca 0.20 0.64 -0.17 0.00 0.02 0.00 0.00 61.00 61.69 3ddr s PRO 808 Cb -0.20 -1.85 -0.02 0.00 0.02 0.00 0.00 34.50 32.45 3ddr s PRO 808 CO -0.03 -2.03 1.01 0.36 -0.33 0.00 0.00 177.00 175.98 3ddr n LYS 809 N -3.71 0.79 -3.52 5.54 2.85 -1.22 -4.62 118.16 114.27 3ddr n LYS 809 Ca 0.07 0.32 -0.18 0.00 -1.05 0.00 0.00 58.31 57.47 3ddr n LYS 809 Cb 0.56 -2.24 -0.06 0.00 -0.65 0.00 0.00 35.03 32.65 3ddr n LYS 809 CO 0.00 0.00 0.00 1.52 -0.05 0.00 0.00 177.40 178.87 3ddr s TYR 810 N -1.59 -0.65 -0.09 5.58 -0.85 -1.03 -4.98 117.35 113.74 3ddr s TYR 810 Ca 0.77 1.08 -0.02 0.00 -0.52 0.00 0.00 57.07 58.37 3ddr s TYR 810 Cb -0.39 0.42 0.04 0.00 0.38 0.00 0.00 41.96 42.41 3ddr s TYR 810 CO 0.47 -0.62 0.04 0.99 -1.52 0.00 0.00 175.55 174.91 3ddr s THR 811 N -1.33 0.10 0.03 -3.49 2.01 -1.26 -1.64 115.64 110.06 3ddr s THR 811 Ca -0.10 0.14 0.05 0.00 0.31 0.00 0.00 61.69 62.09 3ddr s THR 811 Cb -0.00 -0.43 -0.03 0.00 0.01 0.00 0.00 72.50 72.05 3ddr s THR 811 CO 0.09 0.09 -0.12 -0.76 -0.69 0.00 0.00 174.62 173.23 3ddr s LEU 812 N 2.07 2.93 -0.19 4.42 1.43 0.27 -4.96 118.68 124.65 3ddr s LEU 812 Ca 0.04 -0.28 0.01 0.00 -1.03 0.00 0.00 54.13 52.87 3ddr s LEU 812 Cb -0.13 -1.70 0.02 0.00 0.03 0.00 0.00 46.19 44.41 3ddr s LEU 812 CO -0.05 0.26 -0.17 -0.36 0.23 0.00 0.00 176.35 176.26 3ddr s PHE 813 N -0.98 2.85 -0.17 0.29 0.08 -1.26 -1.79 117.98 117.00 3ddr s PHE 813 Ca 0.16 -1.62 -0.00 0.00 0.12 0.00 0.00 56.93 55.59 3ddr s PHE 813 Cb -0.11 -1.95 0.00 0.00 -0.57 0.00 0.00 43.02 40.40 3ddr s PHE 813 CO 0.07 -0.78 -0.15 -0.51 -0.10 0.00 0.00 175.22 173.75 3ddr s ASP 814 N 1.30 3.62 0.11 1.36 1.11 0.13 -0.63 116.67 123.67 3ddr s ASP 814 Ca 0.04 -0.51 -0.03 0.00 0.18 0.00 0.00 52.55 52.23 3ddr s ASP 814 Cb -0.14 -1.57 -0.05 0.00 1.07 0.00 0.00 42.92 42.23 3ddr s ASP 814 CO -0.11 0.05 0.31 -0.76 1.18 0.00 0.00 175.17 175.84 3ddr s LEU 815 N 1.05 4.30 0.07 1.23 1.43 0.35 -0.24 118.68 126.87 3ddr s LEU 815 Ca -0.01 0.46 -0.10 0.00 -1.03 0.00 0.00 54.13 53.45 3ddr s LEU 815 Cb -0.15 -3.17 0.01 0.00 0.03 0.00 0.00 46.19 42.91 3ddr s LEU 815 CO -0.04 0.09 0.22 -0.72 0.23 0.00 0.00 176.35 176.14 3ddr s TYR 816 N -1.61 0.06 -0.08 0.29 1.13 -0.61 -0.96 117.35 115.58 3ddr s TYR 816 Ca 0.39 -0.39 -0.30 0.00 -1.41 0.00 0.00 57.07 55.35 3ddr s TYR 816 Cb -0.12 -0.00 0.08 0.00 -1.10 0.00 0.00 41.96 40.81 3ddr s TYR 816 CO 0.26 -0.52 0.72 0.00 -2.51 0.00 0.00 175.55 173.50 3ddr s ALA 817 N -3.36 -1.79 -0.15 9.51 0.00 0.07 -2.11 121.76 123.92 3ddr s ALA 817 Ca 0.01 1.40 -0.06 0.00 0.00 0.00 0.00 51.96 53.31 3ddr s ALA 817 Cb 0.02 -0.17 0.07 0.00 0.00 0.00 0.00 23.12 23.04 3ddr s ALA 817 CO -0.08 -0.36 0.34 -1.54 0.00 0.00 0.00 175.76 174.11 3ddr s SER 818 N -1.07 -0.12 -0.10 0.00 1.04 0.12 -1.55 113.70 112.03 3ddr s SER 818 Ca -0.09 0.76 -0.01 0.00 0.48 0.00 0.00 55.95 57.09 3ddr s SER 818 Cb -0.00 0.85 -0.03 0.00 0.10 0.00 0.00 66.02 66.94 3ddr s SER 818 CO 0.08 -0.21 -0.07 -0.47 0.98 0.00 0.00 173.24 173.55 3ddr s TYR 819 N 2.05 2.94 -1.25 5.02 5.04 -0.47 -0.72 117.35 129.97 3ddr s TYR 819 Ca -0.04 -0.16 -0.13 0.00 -2.44 0.00 0.00 57.07 54.30 3ddr s TYR 819 Cb -0.11 -1.80 0.16 0.00 0.35 0.00 0.00 41.96 40.56 3ddr s TYR 819 CO -0.11 0.15 1.62 1.63 -1.34 0.00 0.00 175.55 177.50 3ddr n LYS 820 N 2.79 3.41 -0.29 4.97 5.02 0.33 0.08 118.16 134.47 3ddr n LYS 820 Ca -0.18 -3.66 0.23 0.00 -2.02 0.00 0.00 58.31 52.68 3ddr n LYS 820 Cb 0.53 -3.06 0.55 0.00 -0.02 0.00 0.00 35.03 33.02 3ddr n LYS 820 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 3ddr h LEU 821 N 9.47 0.36 0.00 -0.35 5.85 -1.67 -3.42 115.31 125.54 3ddr h LEU 821 Ca 0.36 0.06 -0.18 0.00 0.84 0.00 0.00 57.88 58.96 3ddr h LEU 821 Cb 0.79 -0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.77 3ddr h LEU 821 CO 1.40 0.10 -0.12 0.35 -0.34 0.00 0.00 178.44 179.83 3ddr n THR 822 N -4.52 0.00 0.30 1.05 -2.24 -0.78 -4.93 114.28 103.16 3ddr n THR 822 Ca 0.23 -1.10 0.17 0.00 -2.27 0.00 0.00 64.05 61.08 3ddr n THR 822 Cb 0.86 0.65 0.79 0.00 -2.10 0.00 0.00 70.33 70.53 3ddr n THR 822 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 3ddr h ASP 823 N 1.15 0.00 0.00 3.42 3.32 -2.00 -3.23 116.42 119.08 3ddr h ASP 823 Ca -0.15 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.80 3ddr h ASP 823 Cb 0.69 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.22 3ddr h ASP 823 CO 0.21 0.00 -1.38 -1.20 -1.72 0.00 0.00 179.24 175.15 3ddr n SER 824 N -2.82 3.57 -4.74 6.45 7.64 -1.26 -4.86 113.62 117.59 3ddr n SER 824 Ca -0.00 -0.02 -0.39 0.00 1.01 0.00 0.00 58.87 59.46 3ddr n SER 824 Cb 0.19 0.23 -0.05 0.00 -1.01 0.00 0.00 64.21 63.57 3ddr n SER 824 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3ddr s LEU 825 N -4.94 4.41 -0.02 -3.43 1.43 -1.22 -0.48 118.68 114.44 3ddr s LEU 825 Ca -0.06 1.29 0.01 0.00 -1.03 0.00 0.00 54.13 54.33 3ddr s LEU 825 Cb 0.02 -3.09 0.02 0.00 0.03 0.00 0.00 46.19 43.17 3ddr s LEU 825 CO 0.18 0.01 -0.01 -0.89 0.23 0.00 0.00 176.35 175.88 3ddr s THR 826 N 0.10 0.16 0.02 5.49 2.01 0.00 -1.77 115.64 121.66 3ddr s THR 826 Ca 0.36 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.41 3ddr s THR 826 Cb -0.19 -0.22 -0.04 0.00 0.01 0.00 0.00 72.50 72.06 3ddr s THR 826 CO 0.20 0.11 0.02 -0.76 -0.69 0.00 0.00 174.62 173.50 3ddr s LEU 827 N 0.67 3.59 0.01 4.42 1.43 0.11 -1.35 118.68 127.55 3ddr s LEU 827 Ca -0.06 -0.02 0.01 0.00 -1.03 0.00 0.00 54.13 53.03 3ddr s LEU 827 Cb -0.10 -2.13 -0.01 0.00 0.03 0.00 0.00 46.19 43.99 3ddr s LEU 827 CO -0.01 0.25 -0.03 -0.13 0.23 0.00 0.00 176.35 176.65 3ddr s ARG 828 N -1.80 0.26 -0.17 1.70 0.52 -0.75 -1.37 118.95 117.35 3ddr s ARG 828 Ca 0.22 -0.24 -0.09 0.00 -0.52 0.00 0.00 55.73 55.11 3ddr s ARG 828 Cb -0.12 -0.18 0.06 0.00 0.52 0.00 0.00 34.95 35.24 3ddr s ARG 828 CO 0.13 0.04 0.40 0.20 0.02 0.00 0.00 175.30 176.09 3ddr s GLY 829 N -0.41 -0.31 0.08 -3.53 0.00 -0.59 -0.50 107.32 102.05 3ddr s GLY 829 Ca -0.02 1.48 0.01 0.00 0.00 0.00 0.00 44.72 46.19 3ddr s GLY 829 CO -0.00 1.70 -0.06 -1.35 0.00 0.00 0.00 173.10 173.39 3ddr s SER 830 N 1.49 1.00 -0.17 1.64 1.04 0.21 -0.75 113.70 118.15 3ddr s SER 830 Ca -0.09 -0.93 -0.00 0.00 0.48 0.00 0.00 55.95 55.40 3ddr s SER 830 Cb -0.09 0.10 0.04 0.00 0.10 0.00 0.00 66.02 66.18 3ddr s SER 830 CO -0.12 -0.44 -0.05 -0.69 0.98 0.00 0.00 173.24 172.91 3ddr s VAL 831 N -3.32 1.12 0.07 5.02 1.01 -0.13 -1.20 120.40 122.98 3ddr s VAL 831 Ca 0.08 -0.68 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 3ddr s VAL 831 Cb 0.03 -1.32 -0.13 0.00 0.00 0.00 0.00 36.38 34.97 3ddr s VAL 831 CO -0.05 0.09 1.35 -0.08 0.00 0.00 0.00 175.10 176.41 3ddr h GLU 832 N 8.11 0.58 -2.69 2.72 4.81 -1.06 0.10 114.58 127.15 3ddr h GLU 832 Ca -0.23 -0.35 -0.60 0.00 -0.13 0.00 0.00 59.36 58.04 3ddr h GLU 832 Cb 1.11 0.04 -0.40 0.00 0.63 0.00 0.00 28.75 30.13 3ddr h GLU 832 CO 0.40 0.96 -0.81 1.21 -0.73 0.00 0.00 179.01 180.04 3ddr s ASN 833 N -6.51 2.88 0.12 1.04 3.84 -1.26 -4.12 114.94 110.94 3ddr s ASN 833 Ca -0.13 -3.22 -0.29 0.00 0.21 0.00 0.00 52.86 49.44 3ddr s ASN 833 Cb 0.07 -0.90 -0.07 0.00 -0.55 0.00 0.00 41.25 39.80 3ddr s ASN 833 CO 0.81 -0.16 1.61 0.25 -2.79 0.00 0.00 177.10 176.82 3ddr h LEU 834 N 5.78 -1.05 0.00 3.21 6.46 -1.09 -1.35 115.31 127.27 3ddr h LEU 834 Ca 0.18 0.13 0.00 0.00 -0.12 0.00 0.00 57.88 58.07 3ddr h LEU 834 Cb 0.87 0.41 0.00 0.00 -0.73 0.00 0.00 40.66 41.20 3ddr h LEU 834 CO 0.49 -0.42 0.00 0.35 -0.62 0.00 0.00 178.44 178.24 3ddr n THR 835 N -5.43 0.45 -3.57 1.05 -2.24 -1.26 -4.79 114.28 98.48 3ddr n THR 835 Ca -0.06 0.11 -0.23 0.00 -2.27 0.00 0.00 64.05 61.60 3ddr n THR 835 Cb 0.35 -0.79 0.08 0.00 -2.10 0.00 0.00 70.33 67.86 3ddr n THR 835 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 3ddr n ASN 836 N -1.30 -6.31 -4.74 3.42 5.15 -0.53 -4.78 115.26 106.16 3ddr n ASN 836 Ca 0.09 -0.52 -0.41 0.00 -0.60 0.00 0.00 54.58 53.14 3ddr n ASN 836 Cb 0.16 -4.94 -0.05 0.00 -0.53 0.00 0.00 39.78 34.42 3ddr n ASN 836 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 3ddr s ARG 837 N -6.28 4.62 -0.05 1.20 3.52 -1.26 -0.59 118.95 120.11 3ddr s ARG 837 Ca 0.57 1.29 -0.27 0.00 -0.13 0.00 0.00 55.73 57.19 3ddr s ARG 837 Cb -0.25 -3.36 -0.03 0.00 -1.56 0.00 0.00 34.95 29.75 3ddr s ARG 837 CO 0.71 0.27 0.87 0.00 -0.81 0.00 0.00 175.30 176.34 3ddr s ALA 838 N -0.11 3.29 0.27 6.12 0.00 -0.05 -3.93 121.76 127.35 3ddr s ALA 838 Ca 0.43 0.33 -0.20 0.00 0.00 0.00 0.00 51.96 52.51 3ddr s ALA 838 Cb -0.22 -3.21 0.02 0.00 0.00 0.00 0.00 23.12 19.71 3ddr s ALA 838 CO 0.27 -0.28 0.68 1.52 0.00 0.00 0.00 175.76 177.95 3ddr s TYR 839 N 1.20 -0.15 -0.08 0.00 1.13 -1.26 -4.72 117.35 113.46 3ddr s TYR 839 Ca 0.45 -0.28 0.01 0.00 -1.41 0.00 0.00 57.07 55.84 3ddr s TYR 839 Cb -0.19 0.63 0.02 0.00 -1.10 0.00 0.00 41.96 41.32 3ddr s TYR 839 CO 0.22 -1.18 -0.09 0.08 -2.51 0.00 0.00 175.55 172.07 3ddr s VAL 840 N -3.92 1.00 0.25 -3.49 1.01 -1.26 -0.81 120.40 113.18 3ddr s VAL 840 Ca 0.12 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 61.45 3ddr s VAL 840 Cb -0.05 -0.97 -0.14 0.00 0.00 0.00 0.00 36.38 35.22 3ddr s VAL 840 CO 0.06 0.34 1.18 1.33 0.00 0.00 0.00 175.10 178.01 3ddr n VAL 841 N 4.33 1.44 -1.57 2.92 0.24 -1.26 -4.79 118.33 119.64 3ddr n VAL 841 Ca -0.19 -0.36 -0.52 0.00 -2.04 0.00 0.00 64.34 61.24 3ddr n VAL 841 Cb 0.51 -1.15 -0.06 0.00 -1.47 0.00 0.00 33.84 31.68 3ddr n VAL 841 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3ddr n SER 842 N 1.61 1.33 0.00 -1.34 2.88 -1.26 -1.10 113.62 115.74 3ddr n SER 842 Ca 0.11 1.13 0.00 0.00 -1.33 0.00 0.00 58.87 58.78 3ddr n SER 842 Cb 0.30 -1.16 0.00 0.00 -0.75 0.00 0.00 64.21 62.60 3ddr n SER 842 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3ddr n TYR 843 N 2.08 0.00 -1.75 0.66 4.19 -1.26 -4.74 117.16 116.34 3ddr n TYR 843 Ca 0.18 0.00 -0.42 0.00 3.31 0.00 0.00 57.90 60.97 3ddr n TYR 843 Cb 0.19 0.00 -0.00 0.00 0.49 0.00 0.00 39.34 40.02 3ddr n TYR 843 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 3ddr n GLY 844 N -2.15 0.99 3.59 2.98 0.00 -0.26 -4.12 105.19 106.23 3ddr n GLY 844 Ca 0.00 0.33 -0.53 0.00 0.00 0.00 0.00 46.02 45.81 3ddr n GLY 844 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 3ddr n GLU 845 N 0.61 1.26 0.19 1.61 2.13 -0.62 -4.82 120.64 120.99 3ddr n GLU 845 Ca 0.03 0.42 0.06 0.00 0.66 0.00 0.00 57.16 58.33 3ddr n GLU 845 Cb 0.38 -2.32 0.33 0.00 0.27 0.00 0.00 31.44 30.10 3ddr n GLU 845 CO 0.00 0.00 0.00 1.79 -0.41 0.00 0.00 177.13 178.51 3ddr h THR 846 N 6.08 0.89 -0.01 6.31 1.35 -1.88 0.71 112.91 126.36 3ddr h THR 846 Ca -0.38 -1.52 0.00 0.00 -0.55 0.00 0.00 66.41 63.97 3ddr h THR 846 Cb 1.32 1.93 -0.00 0.00 -1.73 0.00 0.00 68.15 69.66 3ddr h THR 846 CO 0.99 0.37 0.01 0.25 -0.25 0.00 0.00 175.52 176.88 3ddr h LEU 847 N 0.00 0.00 0.00 3.87 5.85 -1.88 -2.86 115.31 120.29 3ddr h LEU 847 Ca -0.00 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.71 3ddr h LEU 847 Cb 0.90 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.92 3ddr h LEU 847 CO 0.05 0.00 -1.22 0.00 -0.34 0.00 0.00 178.44 176.93 3ddr n ALA 848 N -2.29 2.16 -3.89 1.25 0.00 -1.12 -2.65 120.51 113.98 3ddr n ALA 848 Ca -0.03 -0.12 -0.34 0.00 0.00 0.00 0.00 53.44 52.96 3ddr n ALA 848 Cb 0.09 -0.15 0.01 0.00 0.00 0.00 0.00 19.45 19.40 3ddr n ALA 848 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 3ddr n ASN 849 N -1.69 -3.63 -4.52 0.00 5.15 0.23 -4.55 115.26 106.26 3ddr n ASN 849 Ca -0.01 -1.01 -0.43 0.00 -0.60 0.00 0.00 54.58 52.53 3ddr n ASN 849 Cb 0.14 -1.33 -0.07 0.00 -0.53 0.00 0.00 39.78 38.00 3ddr n ASN 849 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 3ddr s THR 850 N -3.45 4.85 0.73 -0.44 -4.23 -1.26 -5.05 115.64 106.80 3ddr s THR 850 Ca 0.28 0.11 -0.16 0.00 -1.18 0.00 0.00 61.69 60.74 3ddr s THR 850 Cb -0.15 -4.19 -0.02 0.00 1.34 0.00 0.00 72.50 69.48 3ddr s THR 850 CO 0.80 -0.57 0.62 0.18 -0.54 0.00 0.00 174.62 175.12 3ddr n LEU 851 N 6.20 1.38 -4.92 4.79 4.32 -1.26 -4.73 117.00 122.79 3ddr n LEU 851 Ca -0.02 0.59 -0.26 0.00 -0.02 0.00 0.00 56.01 56.30 3ddr n LEU 851 Cb 0.48 -1.26 0.05 0.00 -1.62 0.00 0.00 43.42 41.07 3ddr n LEU 851 CO 0.53 -2.89 0.58 -0.83 -1.22 0.00 0.00 177.39 173.55 3ddr s GLY 852 N -1.54 1.65 0.34 -0.72 0.00 0.01 -4.96 107.32 102.10 3ddr s GLY 852 Ca 0.67 -0.80 -0.29 0.00 0.00 0.00 0.00 44.72 44.30 3ddr s GLY 852 CO 0.57 -0.46 1.41 0.54 0.00 0.00 0.00 173.10 175.16 3ddr n ARG 853 N -2.77 2.40 -1.09 2.90 1.74 -1.26 -3.12 116.66 115.47 3ddr n ARG 853 Ca 0.06 0.84 -0.14 0.00 -0.77 0.00 0.00 57.85 57.84 3ddr n ARG 853 Cb 0.59 -2.51 0.10 0.00 -1.02 0.00 0.00 32.46 29.61 3ddr n ARG 853 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3ddr n GLY 854 N 0.94 -0.95 3.12 -0.13 0.00 -0.45 -4.46 105.19 103.25 3ddr n GLY 854 Ca 0.04 -1.75 -0.53 0.00 0.00 0.00 0.00 46.02 43.79 3ddr n GLY 854 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3ddr n ARG 855 N -2.35 0.00 -4.03 1.61 0.63 -1.06 -4.25 116.66 107.22 3ddr n ARG 855 Ca 0.08 0.00 -0.31 0.00 -0.92 0.00 0.00 57.85 56.70 3ddr n ARG 855 Cb 0.30 -1.42 -0.16 0.00 0.45 0.00 0.00 32.46 31.63 3ddr n ARG 855 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3ddr s THR 856 N 6.28 1.82 -0.16 5.15 2.01 -1.26 -4.85 115.64 124.63 3ddr s THR 856 Ca 1.17 -1.15 -0.15 0.00 0.31 0.00 0.00 61.69 61.86 3ddr s THR 856 Cb -1.37 -1.87 -0.04 0.00 0.01 0.00 0.00 72.50 69.23 3ddr s THR 856 CO 0.59 0.17 0.37 -0.69 -0.69 0.00 0.00 174.62 174.37 3ddr s VAL 857 N 1.31 5.25 -0.09 3.82 1.01 -1.26 -0.50 120.40 129.94 3ddr s VAL 857 Ca -0.02 0.70 -0.16 0.00 0.00 0.00 0.00 61.98 62.50 3ddr s VAL 857 Cb -0.17 -3.71 0.04 0.00 0.00 0.00 0.00 36.38 32.54 3ddr s VAL 857 CO -0.08 0.34 0.39 0.00 0.00 0.00 0.00 175.10 175.76 3ddr s GLN 858 N 0.69 0.60 0.21 2.72 -2.07 -0.34 -1.34 119.66 120.14 3ddr s GLN 858 Ca 0.20 0.24 -0.11 0.00 -1.82 0.00 0.00 55.36 53.87 3ddr s GLN 858 Cb -0.14 0.28 -0.00 0.00 -1.09 0.00 0.00 33.01 32.06 3ddr s GLN 858 CO 0.06 -0.13 0.39 0.20 -1.32 0.00 0.00 175.29 174.50 3ddr s GLY 859 N -0.52 0.51 0.17 2.60 0.00 -0.95 0.65 107.32 109.79 3ddr s GLY 859 Ca -0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 44.72 43.74 3ddr s GLY 859 CO 0.03 -0.71 0.33 0.61 0.00 0.00 0.00 173.10 173.36 3ddr n GLY 860 N -0.31 1.61 2.90 0.20 0.00 0.34 -2.56 105.19 107.37 3ddr n GLY 860 Ca -0.04 -1.13 -0.24 0.00 0.00 0.00 0.00 46.02 44.61 3ddr n GLY 860 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ddr s VAL 861 N -2.61 0.81 -0.07 1.61 1.01 -0.01 -1.81 120.40 119.32 3ddr s VAL 861 Ca 0.07 -0.21 0.03 0.00 0.00 0.00 0.00 61.98 61.88 3ddr s VAL 861 Cb -0.02 -0.83 -0.02 0.00 0.00 0.00 0.00 36.38 35.51 3ddr s VAL 861 CO 0.05 0.31 -0.17 -0.70 0.00 0.00 0.00 175.10 174.59 3ddr s GLU 862 N 1.35 2.71 -0.27 2.72 2.12 -0.46 -1.93 118.70 124.94 3ddr s GLU 862 Ca -0.03 -0.75 0.00 0.00 0.36 0.00 0.00 54.97 54.55 3ddr s GLU 862 Cb -0.14 -2.37 0.08 0.00 0.26 0.00 0.00 34.13 31.96 3ddr s GLU 862 CO -0.03 0.47 0.02 -0.47 -0.54 0.00 0.00 175.26 174.71 3ddr s TYR 863 N -0.34 2.23 0.78 5.30 5.04 0.02 -0.81 117.35 129.57 3ddr s TYR 863 Ca 0.03 -1.85 -0.07 0.00 -2.44 0.00 0.00 57.07 52.74 3ddr s TYR 863 Cb -0.13 -1.78 0.12 0.00 0.35 0.00 0.00 41.96 40.53 3ddr s TYR 863 CO 0.02 -0.82 1.09 1.03 -1.34 0.00 0.00 175.55 175.54 3ddr s ARG 864 N 1.44 1.56 0.00 4.97 0.52 0.37 -2.00 118.95 125.82 3ddr s ARG 864 Ca 0.03 -0.61 0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3ddr s ARG 864 Cb -0.18 -2.14 0.00 0.00 0.52 0.00 0.00 34.95 33.15 3ddr s ARG 864 CO -0.13 -1.65 0.00 1.97 0.02 0.00 0.00 175.30 175.51