#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gd3 s SER 129 N 0.00 -0.21 0.11 3.54 1.04 -0.35 -4.96 113.70 112.86 3gd3 s SER 129 Ca 0.00 -0.62 0.09 0.00 0.48 0.00 0.00 55.95 55.90 3gd3 s SER 129 Cb 0.00 0.61 -0.04 0.00 0.10 0.00 0.00 66.02 66.69 3gd3 s SER 129 CO 0.00 -1.13 -0.23 -2.28 0.98 0.00 0.00 173.24 170.58 3gd3 s HIS 130 N -3.92 1.96 -0.23 5.02 2.46 -1.26 -0.93 115.29 118.39 3gd3 s HIS 130 Ca 0.13 -0.40 -0.13 0.00 0.47 0.00 0.00 55.06 55.13 3gd3 s HIS 130 Cb -0.02 -1.08 0.07 0.00 -0.13 0.00 0.00 32.58 31.43 3gd3 s HIS 130 CO 0.02 0.24 0.56 0.54 -2.47 0.00 0.00 174.74 173.62 3gd3 s VAL 131 N -1.10 -0.01 0.07 0.89 0.11 -0.28 -4.92 120.40 115.16 3gd3 s VAL 131 Ca 0.09 0.04 -0.19 0.00 -2.93 0.00 0.00 61.98 58.99 3gd3 s VAL 131 Cb -0.10 -0.81 -0.10 0.00 -1.53 0.00 0.00 36.38 33.84 3gd3 s VAL 131 CO 0.05 0.02 1.46 -0.65 -3.33 0.00 0.00 175.10 172.64 3gd3 h PRO 132 N 6.99 0.43 -4.82 1.54 0.11 -1.85 -3.13 132.00 131.26 3gd3 h PRO 132 Ca -0.33 -0.17 -0.67 0.00 0.11 0.00 0.00 66.00 64.94 3gd3 h PRO 132 Cb 1.21 -0.02 -0.24 0.00 0.11 0.00 0.00 31.00 32.05 3gd3 h PRO 132 CO 0.22 0.67 -0.60 -0.06 -0.21 0.00 0.00 178.00 178.02 3gd3 s PHE 133 N -4.74 3.14 -0.22 0.65 0.40 -1.13 0.46 117.98 116.54 3gd3 s PHE 133 Ca -0.14 -0.74 -0.01 0.00 -0.60 0.00 0.00 56.93 55.45 3gd3 s PHE 133 Cb 0.07 -2.28 0.02 0.00 0.51 0.00 0.00 43.02 41.34 3gd3 s PHE 133 CO 0.75 -0.50 -0.11 -1.17 0.70 0.00 0.00 175.22 174.89 3gd3 s LEU 134 N 1.56 2.77 -0.17 -0.37 2.96 -0.49 -1.21 118.68 123.72 3gd3 s LEU 134 Ca 0.04 -0.75 -0.07 0.00 -0.22 0.00 0.00 54.13 53.13 3gd3 s LEU 134 Cb -0.17 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.89 3gd3 s LEU 134 CO 0.04 -0.07 0.05 -0.76 -1.32 0.00 0.00 176.35 174.29 3gd3 s LEU 135 N 1.32 3.78 -0.27 -0.68 1.43 0.62 -0.47 118.68 124.41 3gd3 s LEU 135 Ca 0.02 0.08 -0.09 0.00 -1.03 0.00 0.00 54.13 53.11 3gd3 s LEU 135 Cb -0.15 -1.94 -0.03 0.00 0.03 0.00 0.00 46.19 44.09 3gd3 s LEU 135 CO -0.07 0.20 0.13 -0.63 0.23 0.00 0.00 176.35 176.20 3gd3 s ILE 136 N 0.24 4.72 0.00 -0.59 1.01 0.16 -1.56 121.20 125.18 3gd3 s ILE 136 Ca 0.03 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.59 3gd3 s ILE 136 Cb -0.12 -3.26 0.00 0.00 0.01 0.00 0.00 42.46 39.08 3gd3 s ILE 136 CO 0.01 0.26 0.00 0.61 0.00 0.00 0.00 174.94 175.81 3gd3 n GLY 137 N 4.98 -0.01 2.70 6.18 0.00 0.16 -0.94 105.19 118.26 3gd3 n GLY 137 Ca -0.15 -1.38 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 3gd3 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 138 N 0.89 5.78 0.00 -0.02 0.00 -1.24 -4.64 105.19 105.97 3gd3 n GLY 138 Ca 0.00 -2.64 0.00 0.00 0.00 0.00 0.00 46.02 43.38 3gd3 n GLY 138 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 139 N -0.49 2.90 0.23 -0.02 0.00 -1.26 -4.03 105.19 102.53 3gd3 n GLY 139 Ca 0.46 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.47 3gd3 n GLY 139 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3gd3 h THR 140 N 0.00 0.60 -0.60 2.61 2.02 -1.92 -1.65 112.91 113.97 3gd3 h THR 140 Ca 0.00 -0.40 0.02 0.00 0.77 0.00 0.00 66.41 66.80 3gd3 h THR 140 Cb 0.00 0.80 -0.03 0.00 -1.74 0.00 0.00 68.15 67.17 3gd3 h THR 140 CO 0.00 0.07 0.39 0.00 0.37 0.00 0.00 175.52 176.36 3gd3 h ALA 141 N -0.25 1.63 0.37 6.16 0.00 -1.88 -0.50 119.26 124.80 3gd3 h ALA 141 Ca -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 3gd3 h ALA 141 Cb 0.52 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.09 3gd3 h ALA 141 CO 0.09 0.32 -0.18 0.00 0.00 0.00 0.00 179.25 179.48 3gd3 h ALA 142 N 1.64 -0.50 -0.78 0.00 0.00 -1.81 -2.89 119.26 114.93 3gd3 h ALA 142 Ca 0.23 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 3gd3 h ALA 142 Cb 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 17.79 17.95 3gd3 h ALA 142 CO -0.06 -0.62 0.37 0.35 0.00 0.00 0.00 179.25 179.29 3gd3 h PHE 143 N -0.80 1.11 -0.19 0.00 3.57 -1.10 -1.43 116.94 118.10 3gd3 h PHE 143 Ca -0.05 -0.05 0.03 0.00 3.53 0.00 0.00 57.97 61.43 3gd3 h PHE 143 Cb 0.53 -0.35 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 3gd3 h PHE 143 CO 0.01 0.80 0.00 0.00 -2.23 0.00 0.00 178.31 176.90 3gd3 h ALA 144 N 1.30 0.16 -0.58 2.41 0.00 -1.13 -1.49 119.26 119.94 3gd3 h ALA 144 Ca 0.27 0.05 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 3gd3 h ALA 144 Cb 0.11 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 3gd3 h ALA 144 CO -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 179.25 178.79 3gd3 h ALA 145 N 1.16 0.79 -0.55 0.00 0.00 -1.40 -2.91 119.26 116.34 3gd3 h ALA 145 Ca 0.09 -0.31 0.11 0.00 0.00 0.00 0.00 54.91 54.80 3gd3 h ALA 145 Cb 0.11 -0.22 -0.09 0.00 0.00 0.00 0.00 17.79 17.59 3gd3 h ALA 145 CO -0.15 0.62 0.01 0.00 0.00 0.00 0.00 179.25 179.74 3gd3 h ALA 146 N 0.98 0.54 -0.47 0.00 0.00 -0.78 0.32 119.26 119.85 3gd3 h ALA 146 Ca 0.17 0.16 0.07 0.00 0.00 0.00 0.00 54.91 55.31 3gd3 h ALA 146 Cb 0.55 0.27 -0.06 0.00 0.00 0.00 0.00 17.79 18.55 3gd3 h ALA 146 CO 0.03 -0.38 0.14 0.00 0.00 0.00 0.00 179.25 179.04 3gd3 h ARG 147 N 0.13 0.29 0.00 0.00 3.08 -1.10 -2.78 114.38 114.00 3gd3 h ARG 147 Ca 0.28 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.27 3gd3 h ARG 147 Cb 0.44 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 3gd3 h ARG 147 CO -0.46 0.19 -0.37 0.66 -1.07 0.00 0.00 179.97 178.92 3gd3 h SER 148 N 0.30 0.00 0.88 7.04 4.64 -1.18 -2.17 113.55 123.06 3gd3 h SER 148 Ca 0.23 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.51 3gd3 h SER 148 Cb 0.26 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.36 3gd3 h SER 148 CO -0.26 0.21 -0.42 0.40 -0.87 0.00 0.00 176.83 175.89 3gd3 h ILE 149 N 0.00 0.00 -1.11 0.95 2.04 -0.25 -0.79 117.51 118.35 3gd3 h ILE 149 Ca -0.01 -0.14 0.42 0.00 1.00 0.00 0.00 64.86 66.14 3gd3 h ILE 149 Cb 1.17 0.00 -0.16 0.00 -0.74 0.00 0.00 36.82 37.09 3gd3 h ILE 149 CO 0.03 0.00 0.65 0.03 0.00 0.00 0.00 178.15 178.85 3gd3 h ARG 150 N -1.32 0.04 0.10 2.37 2.47 -1.53 0.16 114.38 116.68 3gd3 h ARG 150 Ca -0.12 -0.00 -0.18 0.00 -1.26 0.00 0.00 59.98 58.42 3gd3 h ARG 150 Cb 0.91 -0.01 0.01 0.00 -1.65 0.00 0.00 29.97 29.23 3gd3 h ARG 150 CO 0.20 0.03 -0.86 0.00 0.56 0.00 0.00 179.97 179.90 3gd3 h ALA 151 N 1.87 0.01 -0.21 0.04 0.00 -1.06 -3.14 119.26 116.77 3gd3 h ALA 151 Ca 0.84 -0.79 -0.05 0.00 0.00 0.00 0.00 54.91 54.91 3gd3 h ALA 151 Cb 2.35 0.21 -0.01 0.00 0.00 0.00 0.00 17.79 20.34 3gd3 h ALA 151 CO -0.66 0.45 -0.10 0.00 0.00 0.00 0.00 179.25 178.94 3gd3 h ARG 152 N -0.49 0.33 -3.90 0.00 2.47 -0.93 -3.40 114.38 108.46 3gd3 h ARG 152 Ca -0.17 -0.07 -0.56 0.00 -1.26 0.00 0.00 59.98 57.92 3gd3 h ARG 152 Cb 1.55 -0.05 -0.39 0.00 -1.65 0.00 0.00 29.97 29.44 3gd3 h ARG 152 CO 0.08 0.44 -0.77 0.34 0.56 0.00 0.00 179.97 180.62 3gd3 s ASP 153 N -6.84 3.34 1.09 7.04 2.15 0.55 -5.11 116.67 118.90 3gd3 s ASP 153 Ca -0.06 -0.99 -0.12 0.00 0.43 0.00 0.00 52.55 51.81 3gd3 s ASP 153 Cb 0.15 -0.86 0.24 0.00 -0.30 0.00 0.00 42.92 42.15 3gd3 s ASP 153 CO 0.74 -0.28 1.03 -0.81 -0.17 0.00 0.00 175.17 175.69 3gd3 n PRO 154 N 4.88 -1.75 -1.00 4.34 -0.04 -1.19 -3.39 135.00 136.86 3gd3 n PRO 154 Ca -0.10 -0.47 -0.02 0.00 -0.04 0.00 0.00 63.50 62.88 3gd3 n PRO 154 Cb 0.46 -2.23 -0.01 0.00 -0.04 0.00 0.00 33.50 31.68 3gd3 n PRO 154 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3gd3 n GLY 155 N 0.79 0.16 3.76 0.55 0.00 -1.11 -4.95 105.19 104.38 3gd3 n GLY 155 Ca 0.06 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.68 3gd3 n GLY 155 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 s ALA 156 N -1.10 3.39 -0.28 4.61 0.00 -1.22 -4.45 121.76 122.72 3gd3 s ALA 156 Ca 0.00 0.92 -0.10 0.00 0.00 0.00 0.00 51.96 52.78 3gd3 s ALA 156 Cb 0.00 -3.34 -0.04 0.00 0.00 0.00 0.00 23.12 19.74 3gd3 s ALA 156 CO 0.00 -0.21 0.17 1.03 0.00 0.00 0.00 175.76 176.75 3gd3 s ARG 157 N -1.55 3.87 -0.07 0.00 0.52 -1.26 -2.22 118.95 118.24 3gd3 s ARG 157 Ca 0.46 -0.37 0.02 0.00 -0.52 0.00 0.00 55.73 55.32 3gd3 s ARG 157 Cb -0.32 -3.60 0.01 0.00 0.52 0.00 0.00 34.95 31.56 3gd3 s ARG 157 CO 0.41 -0.20 -0.12 0.08 0.02 0.00 0.00 175.30 175.50 3gd3 s VAL 158 N 1.73 1.13 -0.10 3.52 1.01 -0.70 -2.84 120.40 124.15 3gd3 s VAL 158 Ca 0.07 -0.46 0.04 0.00 0.00 0.00 0.00 61.98 61.62 3gd3 s VAL 158 Cb -0.16 -1.04 -0.01 0.00 0.00 0.00 0.00 36.38 35.17 3gd3 s VAL 158 CO 0.10 0.36 -0.22 -0.22 0.00 0.00 0.00 175.10 175.12 3gd3 s LEU 159 N 0.75 2.24 -0.20 3.92 2.96 -0.35 -1.13 118.68 126.87 3gd3 s LEU 159 Ca -0.13 -0.49 -0.08 0.00 -0.22 0.00 0.00 54.13 53.21 3gd3 s LEU 159 Cb -0.16 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.05 3gd3 s LEU 159 CO 0.03 0.18 0.08 -0.63 -1.32 0.00 0.00 176.35 174.69 3gd3 s ILE 160 N 0.21 4.80 -0.27 6.68 1.01 0.21 -0.28 121.20 133.57 3gd3 s ILE 160 Ca -0.13 -0.02 -0.10 0.00 0.00 0.00 0.00 60.65 60.39 3gd3 s ILE 160 Cb -0.17 -3.19 -0.04 0.00 0.01 0.00 0.00 42.46 39.07 3gd3 s ILE 160 CO 0.07 0.43 0.15 -0.69 0.00 0.00 0.00 174.94 174.90 3gd3 s VAL 161 N 0.64 5.05 -0.17 2.92 1.01 -0.60 -0.34 120.40 128.91 3gd3 s VAL 161 Ca 0.04 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3gd3 s VAL 161 Cb -0.13 -3.39 -0.00 0.00 0.00 0.00 0.00 36.38 32.86 3gd3 s VAL 161 CO 0.01 0.28 -0.13 -0.55 0.00 0.00 0.00 175.10 174.71 3gd3 s SER 162 N 1.64 3.76 0.21 3.32 0.15 -1.02 0.36 113.70 122.11 3gd3 s SER 162 Ca 0.07 -0.46 -0.10 0.00 0.70 0.00 0.00 55.95 56.15 3gd3 s SER 162 Cb -0.15 -1.59 0.16 0.00 -1.71 0.00 0.00 66.02 62.72 3gd3 s SER 162 CO 0.08 0.06 1.87 -0.08 1.20 0.00 0.00 173.24 176.38 3gd3 h GLU 163 N 7.50 1.02 -6.74 5.44 4.81 -1.64 0.30 114.58 125.28 3gd3 h GLU 163 Ca -0.36 -0.07 -0.57 0.00 -0.13 0.00 0.00 59.36 58.23 3gd3 h GLU 163 Cb 1.18 -0.22 0.13 0.00 0.63 0.00 0.00 28.75 30.46 3gd3 h GLU 163 CO 0.59 0.69 0.33 -0.25 -0.73 0.00 0.00 179.01 179.64 3gd3 n ASP 164 N -4.53 1.91 -0.02 1.04 9.92 -1.26 -3.87 116.55 119.74 3gd3 n ASP 164 Ca 0.07 1.07 0.15 0.00 -0.53 0.00 0.00 54.79 55.55 3gd3 n ASP 164 Cb 0.03 -1.43 0.86 0.00 -0.64 0.00 0.00 41.12 39.95 3gd3 n ASP 164 CO 0.00 0.00 0.00 -2.65 0.13 0.00 0.00 177.20 174.68 3gd3 n PRO 165 N 0.07 1.03 -3.99 -0.24 -0.02 -1.26 -0.05 135.00 130.54 3gd3 n PRO 165 Ca 0.08 -0.04 -0.27 0.00 -2.02 0.00 0.00 63.50 61.26 3gd3 n PRO 165 Cb 0.39 -1.46 -0.04 0.00 -0.02 0.00 0.00 33.50 32.37 3gd3 n PRO 165 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 3gd3 s GLU 166 N -2.00 3.26 0.38 -0.52 0.41 -1.26 -4.63 118.70 114.34 3gd3 s GLU 166 Ca 0.44 -0.68 -0.25 0.00 -0.41 0.00 0.00 54.97 54.07 3gd3 s GLU 166 Cb 0.20 -2.86 -0.09 0.00 -1.78 0.00 0.00 34.13 29.60 3gd3 s GLU 166 CO 0.34 0.52 1.09 -0.51 -0.49 0.00 0.00 175.26 176.21 3gd3 s LEU 167 N -3.12 4.23 -0.46 1.80 1.43 -1.26 -4.89 118.68 116.40 3gd3 s LEU 167 Ca 0.33 2.17 -0.41 0.00 -1.03 0.00 0.00 54.13 55.20 3gd3 s LEU 167 Cb -0.11 -4.04 -0.16 0.00 0.03 0.00 0.00 46.19 41.91 3gd3 s LEU 167 CO 0.27 -0.49 2.17 -2.65 0.23 0.00 0.00 176.35 175.87 3gd3 n PRO 168 N 0.18 0.37 -4.20 1.29 -0.02 -1.26 -4.95 135.00 126.42 3gd3 n PRO 168 Ca 0.04 0.10 -0.27 0.00 -2.02 0.00 0.00 63.50 61.35 3gd3 n PRO 168 Cb 0.48 -1.84 -0.08 0.00 -0.02 0.00 0.00 33.50 32.04 3gd3 n PRO 168 CO 0.00 0.00 0.00 1.52 1.98 0.00 0.00 175.50 179.00 3gd3 s TYR 169 N 6.55 2.85 0.26 6.00 -0.85 -1.26 -2.70 117.35 128.20 3gd3 s TYR 169 Ca 1.17 -0.13 -0.12 0.00 -0.52 0.00 0.00 57.07 57.46 3gd3 s TYR 169 Cb -1.27 -1.38 -0.08 0.00 0.38 0.00 0.00 41.96 39.61 3gd3 s TYR 169 CO 0.60 0.52 0.62 0.00 -1.52 0.00 0.00 175.55 175.77 3gd3 s MET 170 N -2.92 3.89 -0.15 -3.49 0.23 -0.40 -4.59 119.30 111.86 3gd3 s MET 170 Ca 0.27 0.44 -0.08 0.00 -1.03 0.00 0.00 55.69 55.29 3gd3 s MET 170 Cb -0.09 -2.57 -0.24 0.00 -1.53 0.00 0.00 34.83 30.40 3gd3 s MET 170 CO 0.18 0.26 0.26 0.54 -2.03 0.00 0.00 175.02 174.23 3gd3 n ARG 171 N -0.19 0.72 -0.26 3.16 1.74 -1.26 -4.59 116.66 115.98 3gd3 n ARG 171 Ca 0.01 0.29 -0.03 0.00 -0.77 0.00 0.00 57.85 57.36 3gd3 n ARG 171 Cb 0.53 -1.69 -0.00 0.00 -1.02 0.00 0.00 32.46 30.28 3gd3 n ARG 171 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3gd3 n PRO 172 N -3.59 -0.19 -0.42 5.56 -0.02 -1.26 0.70 135.00 135.77 3gd3 n PRO 172 Ca -0.34 1.00 0.39 0.00 -2.02 0.00 0.00 63.50 62.53 3gd3 n PRO 172 Cb 0.99 -1.48 0.76 0.00 -0.02 0.00 0.00 33.50 33.75 3gd3 n PRO 172 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gd3 h PRO 173 N 0.00 0.02 -0.26 0.52 0.11 -1.91 -2.58 132.00 127.90 3gd3 h PRO 173 Ca 0.19 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.28 3gd3 h PRO 173 Cb 0.35 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.45 3gd3 h PRO 173 CO -0.64 0.01 0.08 -0.07 -0.21 0.00 0.00 178.00 177.18 3gd3 h LEU 174 N 0.02 0.32 0.00 2.35 3.38 -0.01 -2.43 115.31 118.94 3gd3 h LEU 174 Ca 0.67 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.61 3gd3 h LEU 174 Cb 2.63 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 43.30 3gd3 h LEU 174 CO -0.03 0.31 -1.16 -1.54 0.09 0.00 0.00 178.44 176.12 3gd3 n SER 175 N -4.41 0.80 0.00 -0.43 3.41 -0.99 -4.81 113.62 107.19 3gd3 n SER 175 Ca 0.01 -0.76 0.00 0.00 -0.26 0.00 0.00 58.87 57.86 3gd3 n SER 175 Cb 0.14 1.20 0.00 0.00 -0.26 0.00 0.00 64.21 65.29 3gd3 n SER 175 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3gd3 n LYS 176 N -1.63 3.03 0.00 4.33 5.02 -0.95 -4.45 118.16 123.52 3gd3 n LYS 176 Ca 0.02 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.31 3gd3 n LYS 176 Cb 0.36 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.37 3gd3 n LYS 176 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 3gd3 n GLU 177 N 0.00 0.00 0.19 1.97 4.71 -1.25 -1.43 120.64 124.83 3gd3 n GLU 177 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 57.16 57.28 3gd3 n GLU 177 Cb 0.00 0.00 0.67 0.00 -1.01 0.00 0.00 31.44 31.10 3gd3 n GLU 177 CO 0.00 0.00 0.00 -0.07 0.09 0.00 0.00 177.13 177.15 3gd3 h LEU 178 N 0.00 0.00 0.00 -4.62 3.38 -1.78 0.27 115.31 112.56 3gd3 h LEU 178 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gd3 h LEU 178 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 3gd3 h LEU 178 CO 0.00 0.00 -0.74 0.79 0.09 0.00 0.00 178.44 178.58 3gd3 n TRP 179 N -2.40 0.13 -3.25 1.13 7.02 -0.51 -4.52 117.44 115.03 3gd3 n TRP 179 Ca -0.01 0.04 -0.35 0.00 -1.02 0.00 0.00 57.50 56.16 3gd3 n TRP 179 Cb 0.08 -0.31 -0.04 0.00 -2.42 0.00 0.00 31.31 28.63 3gd3 n TRP 179 CO 0.00 0.00 0.00 1.19 -2.02 0.00 0.00 177.69 176.86 3gd3 n PHE 180 N -1.69 3.07 -3.50 -5.99 3.01 0.94 -4.83 117.46 108.47 3gd3 n PHE 180 Ca 0.04 -3.43 0.01 0.00 1.01 0.00 0.00 57.45 55.07 3gd3 n PHE 180 Cb 0.37 -0.94 -0.04 0.00 -0.01 0.00 0.00 39.48 38.87 3gd3 n PHE 180 CO 0.00 0.00 0.00 0.45 1.01 0.00 0.00 176.76 178.22 3gd3 s SER 181 N -1.94 -0.86 0.24 4.37 0.15 -1.26 -4.78 113.70 109.63 3gd3 s SER 181 Ca 0.35 1.14 0.24 0.00 0.70 0.00 0.00 55.95 58.38 3gd3 s SER 181 Cb 0.08 1.97 0.48 0.00 -1.71 0.00 0.00 66.02 66.84 3gd3 s SER 181 CO 0.03 -0.16 1.54 0.44 1.20 0.00 0.00 173.24 176.28 3gd3 h ASP 182 N 7.76 0.00 -3.21 5.45 3.45 -1.96 -3.45 116.42 124.45 3gd3 h ASP 182 Ca -0.17 -0.05 -0.56 0.00 0.43 0.00 0.00 57.03 56.68 3gd3 h ASP 182 Cb 1.11 0.00 -0.06 0.00 -0.56 0.00 0.00 39.33 39.83 3gd3 h ASP 182 CO 0.09 0.03 1.07 -0.62 -1.57 0.00 0.00 179.24 178.24 3gd3 s ASP 183 N -4.97 6.30 0.23 6.45 -1.08 -1.26 -4.90 116.67 117.44 3gd3 s ASP 183 Ca 0.07 0.68 0.20 0.00 -0.52 0.00 0.00 52.55 52.99 3gd3 s ASP 183 Cb 0.10 -2.54 0.93 0.00 -1.46 0.00 0.00 42.92 39.95 3gd3 s ASP 183 CO 0.67 -1.49 1.61 -2.65 0.52 0.00 0.00 175.17 173.83 3gd3 n PRO 184 N 8.19 0.14 0.23 4.34 -0.02 -1.26 -1.23 135.00 145.39 3gd3 n PRO 184 Ca 0.15 0.49 0.14 0.00 -2.02 0.00 0.00 63.50 62.27 3gd3 n PRO 184 Cb 0.48 -1.84 0.43 0.00 -0.02 0.00 0.00 33.50 32.56 3gd3 n PRO 184 CO 0.00 0.00 0.00 -0.91 1.98 0.00 0.00 175.50 176.57 3gd3 h ASN 185 N 0.00 0.00 -0.75 2.55 2.35 -1.99 -3.21 115.58 114.53 3gd3 h ASN 185 Ca 0.00 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3gd3 h ASN 185 Cb 0.19 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.53 3gd3 h ASN 185 CO 0.00 0.00 0.46 0.58 -1.65 0.00 0.00 177.43 176.82 3gd3 h VAL 186 N 0.00 1.21 -0.30 2.81 2.07 -1.50 0.65 116.25 121.18 3gd3 h VAL 186 Ca 0.00 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 67.07 3gd3 h VAL 186 Cb 0.73 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 3gd3 h VAL 186 CO 0.00 0.22 0.20 0.00 0.02 0.00 0.00 177.57 178.00 3gd3 h THR 187 N 1.03 1.08 0.14 2.57 1.03 -1.71 0.33 112.91 117.37 3gd3 h THR 187 Ca 0.27 -0.16 -0.22 0.00 -0.01 0.00 0.00 66.41 66.29 3gd3 h THR 187 Cb -0.05 0.64 0.02 0.00 -1.07 0.00 0.00 68.15 67.69 3gd3 h THR 187 CO -0.05 0.08 -0.95 0.11 -0.01 0.00 0.00 175.52 174.70 3gd3 h LYS 188 N 0.41 0.39 0.00 0.00 1.57 -1.52 -3.38 116.57 114.05 3gd3 h LYS 188 Ca 0.11 -0.61 -0.31 0.00 -1.87 0.00 0.00 60.65 57.97 3gd3 h LYS 188 Cb -0.04 0.22 -0.05 0.00 0.08 0.00 0.00 32.23 32.44 3gd3 h LYS 188 CO -0.02 1.28 -1.85 0.25 -0.57 0.00 0.00 179.45 178.54 3gd3 n THR 189 N -4.03 1.57 -3.18 -0.16 -2.24 0.15 -5.00 114.28 101.39 3gd3 n THR 189 Ca -0.14 -0.80 -0.15 0.00 -2.27 0.00 0.00 64.05 60.69 3gd3 n THR 189 Cb 0.87 -0.95 0.07 0.00 -2.10 0.00 0.00 70.33 68.22 3gd3 n THR 189 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 3gd3 n LEU 190 N -3.00 -3.36 -4.18 3.22 4.32 0.11 -4.92 117.00 109.19 3gd3 n LEU 190 Ca -0.20 -0.45 -0.40 0.00 -0.02 0.00 0.00 56.01 54.94 3gd3 n LEU 190 Cb 1.07 -2.47 -0.06 0.00 -1.62 0.00 0.00 43.42 40.35 3gd3 n LEU 190 CO 0.44 0.37 0.32 -1.10 -1.22 0.00 0.00 177.39 176.20 3gd3 s GLN 191 N -5.42 3.24 0.44 3.23 -1.52 -1.25 -2.75 119.66 115.63 3gd3 s GLN 191 Ca 0.18 -2.83 -0.20 0.00 -1.95 0.00 0.00 55.36 50.56 3gd3 s GLN 191 Cb -0.08 -4.07 -0.10 0.00 -0.22 0.00 0.00 33.01 28.54 3gd3 s GLN 191 CO 0.55 -1.24 0.94 -0.59 -0.25 0.00 0.00 175.29 174.71 3gd3 s PHE 192 N -0.55 3.34 -0.12 0.91 -0.71 -0.47 -4.72 117.98 115.65 3gd3 s PHE 192 Ca 0.22 1.56 -0.25 0.00 -1.04 0.00 0.00 56.93 57.42 3gd3 s PHE 192 Cb -0.13 -2.82 -0.02 0.00 -1.21 0.00 0.00 43.02 38.84 3gd3 s PHE 192 CO -0.08 -0.14 0.79 1.03 -1.34 0.00 0.00 175.22 175.48 3gd3 s ARG 193 N -3.33 4.36 1.06 1.99 1.81 -1.26 -1.11 118.95 122.46 3gd3 s ARG 193 Ca 0.61 0.99 -0.13 0.00 -1.72 0.00 0.00 55.73 55.47 3gd3 s ARG 193 Cb -0.09 -3.52 0.22 0.00 -0.45 0.00 0.00 34.95 31.10 3gd3 s ARG 193 CO 0.17 -0.17 1.09 -0.65 -0.68 0.00 0.00 175.30 175.05 3gd3 s GLN 194 N 1.59 -0.03 0.49 3.54 -0.21 -1.03 -4.78 119.66 119.22 3gd3 s GLN 194 Ca 0.39 0.43 0.15 0.00 0.02 0.00 0.00 55.36 56.35 3gd3 s GLN 194 Cb -0.17 -1.69 1.15 0.00 1.00 0.00 0.00 33.01 33.29 3gd3 s GLN 194 CO 0.16 -3.02 2.09 -1.49 -2.12 0.00 0.00 175.29 170.90 3gd3 h TRP 195 N -2.10 0.03 0.00 0.91 -0.00 -1.93 0.13 115.95 113.00 3gd3 h TRP 195 Ca -0.54 -0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.34 3gd3 h TRP 195 Cb 1.33 -0.01 0.00 0.00 -0.00 0.00 0.00 29.16 30.48 3gd3 h TRP 195 CO -0.06 0.09 -0.01 -2.95 -0.00 0.00 0.00 178.44 175.51 3gd3 h ASN 196 N 0.03 0.00 0.00 -3.49 -1.07 -1.91 -3.49 115.58 105.66 3gd3 h ASN 196 Ca 0.01 -0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.38 3gd3 h ASN 196 Cb 0.11 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.36 3gd3 h ASN 196 CO 0.01 0.00 0.00 0.61 0.07 0.00 0.00 177.43 178.12 3gd3 n GLY 197 N 1.14 2.37 0.00 9.14 0.00 0.03 -5.08 105.19 112.80 3gd3 n GLY 197 Ca 0.04 -0.73 0.00 0.00 0.00 0.00 0.00 46.02 45.34 3gd3 n GLY 197 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 3gd3 n LYS 198 N 0.00 0.00 -1.40 1.61 4.81 -1.26 -2.92 118.16 118.99 3gd3 n LYS 198 Ca 0.00 0.00 -0.34 0.00 -0.87 0.00 0.00 58.31 57.10 3gd3 n LYS 198 Cb 0.00 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.15 3gd3 n LYS 198 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 3gd3 s GLU 199 N 0.00 2.10 0.14 1.64 2.02 -1.26 -2.48 118.70 120.86 3gd3 s GLU 199 Ca 0.00 1.73 -0.13 0.00 0.02 0.00 0.00 54.97 56.59 3gd3 s GLU 199 Cb 0.00 -1.83 0.01 0.00 0.10 0.00 0.00 34.13 32.41 3gd3 s GLU 199 CO 0.00 -1.86 0.34 0.50 0.02 0.00 0.00 175.26 174.26 3gd3 s ARG 200 N -3.97 1.08 -0.19 1.61 3.52 -0.27 -4.88 118.95 115.85 3gd3 s ARG 200 Ca 0.74 -0.90 -0.13 0.00 -0.13 0.00 0.00 55.73 55.31 3gd3 s ARG 200 Cb -0.28 0.42 -0.05 0.00 -1.56 0.00 0.00 34.95 33.48 3gd3 s ARG 200 CO 0.46 -0.41 0.24 0.45 -0.81 0.00 0.00 175.30 175.23 3gd3 s SER 201 N -2.87 6.32 0.63 -2.12 0.15 -1.26 -1.36 113.70 113.18 3gd3 s SER 201 Ca 0.08 0.36 0.30 0.00 0.70 0.00 0.00 55.95 57.38 3gd3 s SER 201 Cb 0.03 -2.15 1.60 0.00 -1.71 0.00 0.00 66.02 63.79 3gd3 s SER 201 CO -0.08 0.09 1.95 -0.29 1.20 0.00 0.00 173.24 176.11 3gd3 h ILE 202 N 4.80 0.20 -3.35 6.45 2.10 -1.87 -3.40 117.51 122.44 3gd3 h ILE 202 Ca -0.40 0.00 -0.56 0.00 1.08 0.00 0.00 64.86 64.98 3gd3 h ILE 202 Cb 1.16 0.69 -0.05 0.00 -1.09 0.00 0.00 36.82 37.53 3gd3 h ILE 202 CO 0.73 0.00 0.05 -0.31 -1.08 0.00 0.00 178.15 177.54 3gd3 s TYR 203 N -4.36 3.72 0.36 2.19 2.02 -1.26 -1.28 117.35 118.74 3gd3 s TYR 203 Ca -0.04 1.31 0.06 0.00 -0.37 0.00 0.00 57.07 58.04 3gd3 s TYR 203 Cb 0.12 -2.67 0.75 0.00 -0.40 0.00 0.00 41.96 39.76 3gd3 s TYR 203 CO 0.42 0.36 1.94 0.74 -1.57 0.00 0.00 175.55 177.43 3gd3 h PHE 204 N 5.48 0.78 -3.43 2.71 0.04 -1.74 -3.43 116.94 117.36 3gd3 h PHE 204 Ca -0.45 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.21 3gd3 h PHE 204 Cb 1.20 -0.26 -0.19 0.00 2.20 0.00 0.00 35.95 38.91 3gd3 h PHE 204 CO 0.66 0.39 -0.40 -0.65 -0.60 0.00 0.00 178.31 177.71 3gd3 s GLN 205 N -5.68 0.61 0.59 1.51 -1.52 -1.26 -5.11 119.66 108.81 3gd3 s GLN 205 Ca -0.10 -0.45 -0.18 0.00 -1.95 0.00 0.00 55.36 52.68 3gd3 s GLN 205 Cb 0.20 0.26 -0.07 0.00 -0.22 0.00 0.00 33.01 33.18 3gd3 s GLN 205 CO 0.78 -0.17 0.64 -2.30 -0.25 0.00 0.00 175.29 173.98 3gd3 n PRO 206 N 1.08 0.58 0.12 2.91 -0.02 -1.26 -4.95 135.00 133.45 3gd3 n PRO 206 Ca -0.21 0.23 -0.13 0.00 -2.02 0.00 0.00 63.50 61.37 3gd3 n PRO 206 Cb 0.57 -1.83 -0.06 0.00 -0.02 0.00 0.00 33.50 32.16 3gd3 n PRO 206 CO 0.00 0.00 0.00 -1.35 1.98 0.00 0.00 175.50 176.13 3gd3 h PRO 207 N 0.23 -0.53 -0.09 0.52 0.11 -1.99 -3.07 132.00 127.18 3gd3 h PRO 207 Ca -0.46 0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.71 3gd3 h PRO 207 Cb 1.39 0.12 -0.00 0.00 0.11 0.00 0.00 31.00 32.61 3gd3 h PRO 207 CO 0.47 -0.35 0.61 0.66 -0.21 0.00 0.00 178.00 179.18 3gd3 h SER 208 N -0.55 0.00 -0.93 -2.05 4.64 -2.02 0.40 113.55 113.03 3gd3 h SER 208 Ca 0.03 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.55 3gd3 h SER 208 Cb 0.58 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 62.59 3gd3 h SER 208 CO -0.19 0.00 0.60 0.15 -0.87 0.00 0.00 176.83 176.53 3gd3 h PHE 209 N 0.00 0.69 -4.11 4.77 3.57 -1.92 -3.42 116.94 116.52 3gd3 h PHE 209 Ca 0.04 0.02 -0.46 0.00 3.53 0.00 0.00 57.97 61.11 3gd3 h PHE 209 Cb 1.27 -0.21 0.13 0.00 2.79 0.00 0.00 35.95 39.93 3gd3 h PHE 209 CO 0.00 0.18 0.39 0.71 -2.23 0.00 0.00 178.31 177.36 3gd3 s TYR 210 N -5.55 2.17 0.29 0.41 2.02 0.14 -4.81 117.35 112.02 3gd3 s TYR 210 Ca -0.09 0.45 0.11 0.00 -0.37 0.00 0.00 57.07 57.16 3gd3 s TYR 210 Cb 0.23 -3.77 -0.05 0.00 -0.40 0.00 0.00 41.96 37.97 3gd3 s TYR 210 CO 0.79 -2.20 -0.13 0.14 -1.57 0.00 0.00 175.55 172.58 3gd3 s VAL 211 N -3.69 2.63 0.25 0.71 -7.23 -0.14 -4.96 120.40 107.97 3gd3 s VAL 211 Ca 0.68 -2.24 -0.30 0.00 -1.81 0.00 0.00 61.98 58.31 3gd3 s VAL 211 Cb -0.07 -2.50 -0.09 0.00 0.56 0.00 0.00 36.38 34.28 3gd3 s VAL 211 CO 0.50 -0.34 0.97 -0.94 -0.31 0.00 0.00 175.10 174.98 3gd3 s SER 212 N -3.58 7.56 0.17 4.85 1.04 -1.26 -4.23 113.70 118.26 3gd3 s SER 212 Ca 0.31 2.01 -0.26 0.00 0.48 0.00 0.00 55.95 58.49 3gd3 s SER 212 Cb -0.04 -2.61 0.04 0.00 0.10 0.00 0.00 66.02 63.51 3gd3 s SER 212 CO 0.17 0.09 1.56 0.00 0.98 0.00 0.00 173.24 176.04 3gd3 h ALA 213 N 4.04 -0.32 -0.50 5.32 0.00 -1.93 0.25 119.26 126.12 3gd3 h ALA 213 Ca -0.45 0.13 0.07 0.00 0.00 0.00 0.00 54.91 54.65 3gd3 h ALA 213 Cb 1.20 1.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.93 3gd3 h ALA 213 CO 0.68 -0.83 -0.47 0.37 0.00 0.00 0.00 179.25 179.00 3gd3 h GLN 214 N -0.18 -0.28 0.00 0.00 5.75 -1.98 -2.26 115.11 116.16 3gd3 h GLN 214 Ca 0.19 0.02 -0.06 0.00 -0.15 0.00 0.00 58.65 58.65 3gd3 h GLN 214 Cb 0.55 0.06 -0.01 0.00 1.07 0.00 0.00 27.48 29.16 3gd3 h GLN 214 CO -0.75 -0.19 -0.29 -0.44 -2.65 0.00 0.00 178.83 174.51 3gd3 h ASP 215 N -0.29 0.00 -0.86 -0.69 3.32 -1.65 -3.37 116.42 112.87 3gd3 h ASP 215 Ca 0.14 0.00 0.09 0.00 0.02 0.00 0.00 57.03 57.28 3gd3 h ASP 215 Cb 0.57 0.00 -0.12 0.00 0.22 0.00 0.00 39.33 40.01 3gd3 h ASP 215 CO -0.64 0.29 -0.54 0.25 -1.72 0.00 0.00 179.24 176.88 3gd3 h LEU 216 N 0.00 -1.96 -1.47 1.55 5.85 0.08 0.74 115.31 120.10 3gd3 h LEU 216 Ca -0.00 0.31 0.29 0.00 0.84 0.00 0.00 57.88 59.31 3gd3 h LEU 216 Cb 0.69 0.88 -0.09 0.00 0.37 0.00 0.00 40.66 42.51 3gd3 h LEU 216 CO 0.04 -0.28 0.71 -0.65 -0.34 0.00 0.00 178.44 177.92 3gd3 h PRO 217 N -0.09 0.30 -2.22 5.25 0.11 -1.76 -2.70 132.00 130.89 3gd3 h PRO 217 Ca 0.17 -0.02 -0.67 0.00 0.11 0.00 0.00 66.00 65.59 3gd3 h PRO 217 Cb 0.48 -0.07 -0.19 0.00 0.11 0.00 0.00 31.00 31.33 3gd3 h PRO 217 CO -0.87 0.20 1.22 0.09 -0.21 0.00 0.00 178.00 178.43 3gd3 n ASN 218 N -4.56 7.29 -3.59 -2.05 3.02 0.25 -4.85 115.26 110.77 3gd3 n ASN 218 Ca 0.26 -3.39 -0.25 0.00 -0.03 0.00 0.00 54.58 51.18 3gd3 n ASN 218 Cb 0.98 -1.23 -0.16 0.00 -0.61 0.00 0.00 39.78 38.76 3gd3 n ASN 218 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gd3 s ILE 219 N -2.82 -0.13 0.20 2.41 -1.09 -1.02 -5.04 121.20 113.71 3gd3 s ILE 219 Ca 0.53 -0.16 -0.17 0.00 -2.23 0.00 0.00 60.65 58.61 3gd3 s ILE 219 Cb 0.30 -0.60 0.18 0.00 -1.58 0.00 0.00 42.46 40.76 3gd3 s ILE 219 CO -0.21 -0.27 1.61 -0.33 -1.23 0.00 0.00 174.94 174.51 3gd3 h GLU 220 N 8.40 -0.09 -0.40 2.79 5.08 -1.90 0.25 114.58 128.70 3gd3 h GLU 220 Ca -0.15 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 3gd3 h GLU 220 Cb 1.15 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.40 3gd3 h GLU 220 CO 0.29 -0.06 0.01 -0.97 -1.00 0.00 0.00 179.01 177.28 3gd3 h ASN 221 N -0.09 0.60 -2.39 1.42 -0.73 -1.96 -3.45 115.58 108.97 3gd3 h ASN 221 Ca 0.26 -0.12 0.00 0.00 1.87 0.00 0.00 56.30 58.31 3gd3 h ASN 221 Cb 0.51 -0.16 -0.00 0.00 0.27 0.00 0.00 38.32 38.94 3gd3 h ASN 221 CO -0.64 0.66 -0.00 0.61 -0.37 0.00 0.00 177.43 177.68 3gd3 n GLY 222 N -0.81 -1.47 0.00 1.57 0.00 0.07 -2.76 105.19 101.80 3gd3 n GLY 222 Ca 0.02 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.85 3gd3 n GLY 222 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 223 N -0.02 -0.81 3.17 -0.02 0.00 -0.94 -4.90 105.19 101.67 3gd3 n GLY 223 Ca 0.00 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.47 3gd3 n GLY 223 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 224 N -4.00 1.70 0.06 1.61 1.01 -1.26 -1.72 120.40 117.80 3gd3 s VAL 224 Ca 0.00 -0.85 0.06 0.00 0.00 0.00 0.00 61.98 61.19 3gd3 s VAL 224 Cb 0.00 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 3gd3 s VAL 224 CO 0.00 0.48 -0.16 0.00 0.00 0.00 0.00 175.10 175.42 3gd3 s ALA 225 N 0.16 1.32 -0.06 5.51 0.00 -0.28 -0.96 121.76 127.44 3gd3 s ALA 225 Ca -0.09 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 50.90 3gd3 s ALA 225 Cb -0.14 -0.17 0.02 0.00 0.00 0.00 0.00 23.12 22.82 3gd3 s ALA 225 CO 0.05 0.23 -0.08 0.54 0.00 0.00 0.00 175.76 176.50 3gd3 s VAL 226 N -1.06 0.85 -0.74 0.00 0.11 -1.26 0.66 120.40 118.96 3gd3 s VAL 226 Ca 0.01 -0.29 -0.16 0.00 -2.93 0.00 0.00 61.98 58.61 3gd3 s VAL 226 Cb -0.09 -0.83 0.16 0.00 -1.53 0.00 0.00 36.38 34.09 3gd3 s VAL 226 CO 0.02 0.30 0.77 -0.22 -3.33 0.00 0.00 175.10 172.64 3gd3 s LEU 227 N 0.97 6.06 0.48 2.54 0.20 0.54 -4.70 118.68 124.77 3gd3 s LEU 227 Ca -0.10 -2.14 -0.22 0.00 0.69 0.00 0.00 54.13 52.36 3gd3 s LEU 227 Cb -0.15 -2.26 -0.07 0.00 -0.43 0.00 0.00 46.19 43.28 3gd3 s LEU 227 CO 0.00 -0.83 1.17 0.42 -0.29 0.00 0.00 176.35 176.82 3gd3 s THR 228 N 1.42 3.04 -0.96 3.68 -4.23 -1.26 -2.42 115.64 114.91 3gd3 s THR 228 Ca 0.16 0.75 -0.03 0.00 -1.18 0.00 0.00 61.69 61.40 3gd3 s THR 228 Cb -0.16 -3.37 0.00 0.00 1.34 0.00 0.00 72.50 70.32 3gd3 s THR 228 CO -0.04 -0.04 0.35 0.61 -0.54 0.00 0.00 174.62 174.96 3gd3 n GLY 229 N 0.41 -0.06 2.96 3.99 0.00 0.93 -4.88 105.19 108.54 3gd3 n GLY 229 Ca 0.08 -0.24 -0.17 0.00 0.00 0.00 0.00 46.02 45.70 3gd3 n GLY 229 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 s LYS 230 N -5.20 0.58 -0.05 1.61 -0.14 0.89 -4.94 119.74 112.49 3gd3 s LYS 230 Ca 0.17 -0.19 0.03 0.00 -1.36 0.00 0.00 55.97 54.62 3gd3 s LYS 230 Cb -0.08 -0.57 -0.03 0.00 -1.68 0.00 0.00 37.83 35.48 3gd3 s LYS 230 CO 0.21 0.09 -0.13 0.21 -0.76 0.00 0.00 175.35 174.97 3gd3 s LYS 231 N 0.10 2.56 -0.03 1.68 2.20 -1.26 -1.74 119.74 123.25 3gd3 s LYS 231 Ca -0.01 -0.68 -0.22 0.00 -0.36 0.00 0.00 55.97 54.70 3gd3 s LYS 231 Cb -0.05 -2.41 -0.05 0.00 -1.51 0.00 0.00 37.83 33.81 3gd3 s LYS 231 CO -0.00 0.62 0.65 0.08 -0.36 0.00 0.00 175.35 176.34 3gd3 s VAL 232 N -0.71 4.97 0.00 4.02 1.01 -1.26 -1.92 120.40 126.51 3gd3 s VAL 232 Ca 0.11 1.36 0.00 0.00 0.00 0.00 0.00 61.98 63.45 3gd3 s VAL 232 Cb -0.11 -4.00 0.00 0.00 0.00 0.00 0.00 36.38 32.28 3gd3 s VAL 232 CO 0.01 0.33 0.00 1.33 0.00 0.00 0.00 175.10 176.77 3gd3 n VAL 233 N 3.27 0.00 -3.78 2.92 0.24 -0.79 -4.92 118.33 115.26 3gd3 n VAL 233 Ca -0.04 -0.20 -0.13 0.00 -2.04 0.00 0.00 64.34 61.94 3gd3 n VAL 233 Cb 0.51 0.70 -0.13 0.00 -1.47 0.00 0.00 33.84 33.45 3gd3 n VAL 233 CO 0.00 0.00 0.00 -2.28 -2.14 0.00 0.00 176.83 172.41 3gd3 s HIS 234 N -1.17 -0.21 -0.26 6.34 2.46 -1.23 -4.99 115.29 116.23 3gd3 s HIS 234 Ca 0.00 0.53 0.03 0.00 0.47 0.00 0.00 55.06 56.09 3gd3 s HIS 234 Cb 0.00 0.02 0.06 0.00 -0.13 0.00 0.00 32.58 32.54 3gd3 s HIS 234 CO 0.00 -0.14 -0.09 -1.17 -2.47 0.00 0.00 174.74 170.88 3gd3 s LEU 235 N 0.59 3.33 -0.72 8.88 2.96 -1.26 -1.63 118.68 130.82 3gd3 s LEU 235 Ca -0.04 -1.40 -0.17 0.00 -0.22 0.00 0.00 54.13 52.30 3gd3 s LEU 235 Cb -0.06 -1.47 0.15 0.00 0.50 0.00 0.00 46.19 45.32 3gd3 s LEU 235 CO -0.03 -0.21 0.77 -0.62 -1.32 0.00 0.00 176.35 174.93 3gd3 s ASP 236 N 1.16 6.46 0.10 3.68 2.15 -0.31 -3.19 116.67 126.72 3gd3 s ASP 236 Ca -0.07 -2.03 -0.22 0.00 0.43 0.00 0.00 52.55 50.66 3gd3 s ASP 236 Cb -0.20 -2.27 -0.12 0.00 -0.30 0.00 0.00 42.92 40.03 3gd3 s ASP 236 CO -0.06 -0.88 1.74 0.58 -0.17 0.00 0.00 175.17 176.38 3gd3 h VAL 237 N 5.51 0.97 -0.26 1.11 2.07 -1.80 -1.05 116.25 122.80 3gd3 h VAL 237 Ca -0.08 -0.01 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3gd3 h VAL 237 Cb 1.06 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 3gd3 h VAL 237 CO 0.97 0.00 -0.01 0.03 0.02 0.00 0.00 177.57 178.58 3gd3 h ARG 238 N 0.02 0.38 -0.13 1.57 2.47 -1.90 -1.93 114.38 114.86 3gd3 h ARG 238 Ca 0.02 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 3gd3 h ARG 238 Cb 0.03 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 3gd3 h ARG 238 CO -0.04 0.42 0.00 0.41 0.56 0.00 0.00 179.97 181.33 3gd3 n GLY 239 N -1.00 0.61 4.19 0.04 0.00 -1.12 -4.97 105.19 102.94 3gd3 n GLY 239 Ca 0.01 -0.55 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 3gd3 n GLY 239 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3gd3 n ASN 240 N 0.71 -1.30 -3.96 1.61 3.02 -0.45 -4.89 115.26 109.99 3gd3 n ASN 240 Ca 0.17 -1.27 -0.09 0.00 -0.03 0.00 0.00 54.58 53.37 3gd3 n ASN 240 Cb 0.45 -1.55 -0.05 0.00 -0.61 0.00 0.00 39.78 38.02 3gd3 n ASN 240 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3gd3 s MET 241 N -7.36 1.59 0.35 3.52 0.23 -0.88 -1.02 119.30 115.72 3gd3 s MET 241 Ca 0.22 -1.22 0.03 0.00 -1.03 0.00 0.00 55.69 53.69 3gd3 s MET 241 Cb -0.12 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.63 3gd3 s MET 241 CO 0.97 -0.67 0.13 0.14 -2.03 0.00 0.00 175.02 173.56 3gd3 s VAL 242 N -3.98 0.57 0.12 5.16 -7.23 0.05 -1.16 120.40 113.93 3gd3 s VAL 242 Ca 0.21 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.44 3gd3 s VAL 242 Cb -0.01 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.39 3gd3 s VAL 242 CO 0.09 0.00 -0.15 -0.54 -0.31 0.00 0.00 175.10 174.19 3gd3 s LYS 243 N -3.79 1.04 0.52 4.82 1.02 -0.65 -3.07 119.74 119.63 3gd3 s LYS 243 Ca 0.31 -1.21 0.05 0.00 0.02 0.00 0.00 55.97 55.14 3gd3 s LYS 243 Cb 0.05 -1.01 0.02 0.00 -0.52 0.00 0.00 37.83 36.37 3gd3 s LYS 243 CO 0.16 0.20 0.31 -0.51 -0.92 0.00 0.00 175.35 174.60 3gd3 s LEU 244 N -2.32 2.71 0.42 3.17 1.43 -0.80 -1.89 118.68 121.40 3gd3 s LEU 244 Ca 0.08 -1.27 0.17 0.00 -1.03 0.00 0.00 54.13 52.07 3gd3 s LEU 244 Cb -0.06 -1.18 0.91 0.00 0.03 0.00 0.00 46.19 45.89 3gd3 s LEU 244 CO 0.04 -0.98 1.89 -0.55 0.23 0.00 0.00 176.35 176.98 3gd3 h ASN 245 N 0.94 0.00 1.27 2.29 7.08 -1.74 -2.81 115.58 122.61 3gd3 h ASN 245 Ca -0.39 0.00 -0.14 0.00 -3.08 0.00 0.00 56.30 52.69 3gd3 h ASN 245 Cb 1.30 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.52 3gd3 h ASN 245 CO 0.61 0.29 -0.74 -2.24 -2.08 0.00 0.00 177.43 173.27 3gd3 h ASP 246 N 0.00 0.00 0.00 6.14 3.04 -1.96 -3.48 116.42 120.15 3gd3 h ASP 246 Ca -0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3gd3 h ASP 246 Cb 0.56 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.85 3gd3 h ASP 246 CO 0.04 0.62 0.00 0.61 -2.04 0.00 0.00 179.24 178.47 3gd3 n GLY 247 N 1.28 0.95 3.81 7.15 0.00 -1.06 -5.12 105.19 112.20 3gd3 n GLY 247 Ca -0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 3gd3 n GLY 247 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gd3 s SER 248 N -0.29 5.83 -0.09 1.61 1.04 -1.26 -4.75 113.70 115.79 3gd3 s SER 248 Ca 0.00 1.76 0.03 0.00 0.48 0.00 0.00 55.95 58.23 3gd3 s SER 248 Cb 0.00 -2.53 -0.01 0.00 0.10 0.00 0.00 66.02 63.58 3gd3 s SER 248 CO 0.00 -1.14 -0.20 -1.10 0.98 0.00 0.00 173.24 171.79 3gd3 s GLN 249 N -4.20 2.90 -0.12 4.02 -0.21 -1.26 -1.90 119.66 118.90 3gd3 s GLN 249 Ca 0.62 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 55.23 3gd3 s GLN 249 Cb -0.15 -2.36 0.00 0.00 1.00 0.00 0.00 33.01 31.50 3gd3 s GLN 249 CO 0.39 0.32 -0.23 0.42 -2.12 0.00 0.00 175.29 174.07 3gd3 s ILE 250 N 0.02 2.11 0.07 1.08 1.01 -1.17 -1.21 121.20 123.10 3gd3 s ILE 250 Ca -0.07 -0.99 -0.07 0.00 0.00 0.00 0.00 60.65 59.52 3gd3 s ILE 250 Cb -0.15 -1.82 -0.05 0.00 0.01 0.00 0.00 42.46 40.45 3gd3 s ILE 250 CO 0.05 0.55 0.35 0.42 0.00 0.00 0.00 174.94 176.31 3gd3 s THR 251 N 0.51 5.19 0.26 2.92 -4.23 -0.10 -0.77 115.64 119.41 3gd3 s THR 251 Ca -0.14 0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.63 3gd3 s THR 251 Cb -0.17 -3.61 -0.05 0.00 1.34 0.00 0.00 72.50 70.00 3gd3 s THR 251 CO 0.05 0.25 0.04 0.72 -0.54 0.00 0.00 174.62 175.14 3gd3 s PHE 252 N -1.43 1.62 -0.24 3.99 -0.12 -0.19 -1.13 117.98 120.48 3gd3 s PHE 252 Ca 0.33 -1.02 -0.01 0.00 -0.05 0.00 0.00 56.93 56.18 3gd3 s PHE 252 Cb -0.13 -0.97 -0.15 0.00 -0.63 0.00 0.00 43.02 41.14 3gd3 s PHE 252 CO 0.19 -0.14 -0.23 0.39 -0.05 0.00 0.00 175.22 175.38 3gd3 n GLU 253 N -0.48 0.58 -4.42 1.99 1.02 -0.40 -4.76 120.64 114.17 3gd3 n GLU 253 Ca -0.03 0.15 -0.20 0.00 -0.02 0.00 0.00 57.16 57.06 3gd3 n GLU 253 Cb 0.65 -1.46 -0.14 0.00 -0.02 0.00 0.00 31.44 30.47 3gd3 n GLU 253 CO 0.00 0.00 0.00 0.15 1.18 0.00 0.00 177.13 178.46 3gd3 s LYS 254 N -2.47 0.96 0.04 3.49 -0.14 0.17 -4.85 119.74 116.93 3gd3 s LYS 254 Ca -0.33 -0.65 0.04 0.00 -1.36 0.00 0.00 55.97 53.68 3gd3 s LYS 254 Cb 0.09 -0.94 -0.02 0.00 -1.68 0.00 0.00 37.83 35.28 3gd3 s LYS 254 CO 0.53 0.24 -0.13 0.00 -0.76 0.00 0.00 175.35 175.23 3gd3 s LEU 256 N -1.16 1.71 -0.37 0.00 2.96 0.38 -1.58 118.68 120.63 3gd3 s LEU 256 Ca 0.00 -0.30 -0.11 0.00 -0.22 0.00 0.00 54.13 53.51 3gd3 s LEU 256 Cb -0.08 -0.82 0.02 0.00 0.50 0.00 0.00 46.19 45.81 3gd3 s LEU 256 CO 0.01 0.06 0.21 -0.63 -1.32 0.00 0.00 176.35 174.68 3gd3 s ILE 257 N 0.50 4.63 -0.31 6.68 1.01 0.56 0.38 121.20 134.66 3gd3 s ILE 257 Ca -0.11 -0.79 0.14 0.00 0.00 0.00 0.00 60.65 59.89 3gd3 s ILE 257 Cb -0.14 -3.56 0.47 0.00 0.01 0.00 0.00 42.46 39.24 3gd3 s ILE 257 CO 0.03 -0.20 1.11 0.00 0.00 0.00 0.00 174.94 175.88 3gd3 n ALA 258 N 5.01 3.94 1.93 9.38 0.00 -0.11 -2.55 120.51 138.10 3gd3 n ALA 258 Ca -0.12 -3.41 0.05 0.00 0.00 0.00 0.00 53.44 49.95 3gd3 n ALA 258 Cb 0.46 -0.65 0.27 0.00 0.00 0.00 0.00 19.45 19.54 3gd3 n ALA 258 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3gd3 n THR 259 N -0.53 0.00 -1.85 0.00 -2.24 -1.20 -4.58 114.28 103.87 3gd3 n THR 259 Ca 0.25 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 3gd3 n THR 259 Cb 0.84 -0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.91 3gd3 n THR 259 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 260 N 0.60 1.49 3.41 3.38 0.00 -1.26 -4.63 105.19 108.19 3gd3 n GLY 260 Ca 0.07 -0.43 -0.13 0.00 0.00 0.00 0.00 46.02 45.53 3gd3 n GLY 260 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3gd3 s GLY 261 N -0.52 1.30 -0.14 -0.02 0.00 -1.26 -1.60 107.32 105.09 3gd3 s GLY 261 Ca 0.00 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.23 3gd3 s GLY 261 CO 0.00 -1.07 -0.04 -1.59 0.00 0.00 0.00 173.10 170.40 3gd3 s THR 262 N -3.71 3.85 0.31 0.90 2.01 0.81 -4.84 115.64 114.98 3gd3 s THR 262 Ca 0.32 -0.38 -0.29 0.00 0.31 0.00 0.00 61.69 61.64 3gd3 s THR 262 Cb 0.02 -2.66 -0.11 0.00 0.01 0.00 0.00 72.50 69.76 3gd3 s THR 262 CO 0.15 0.52 1.50 -2.84 -0.69 0.00 0.00 174.62 173.26 3gd3 s PRO 263 N 0.12 4.17 0.43 4.92 0.02 -1.26 0.01 135.00 143.42 3gd3 s PRO 263 Ca -0.01 2.48 -0.24 0.00 0.02 0.00 0.00 61.00 63.24 3gd3 s PRO 263 Cb -0.14 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.27 3gd3 s PRO 263 CO 0.03 -0.51 1.18 1.03 -0.33 0.00 0.00 177.00 178.40 3gd3 s ARG 264 N -1.07 3.87 0.00 5.54 0.52 -0.36 -4.79 118.95 122.66 3gd3 s ARG 264 Ca 0.58 1.84 0.00 0.00 -0.52 0.00 0.00 55.73 57.63 3gd3 s ARG 264 Cb -0.45 -2.53 0.00 0.00 0.52 0.00 0.00 34.95 32.48 3gd3 s ARG 264 CO 0.52 -0.47 0.00 -1.13 0.02 0.00 0.00 175.30 174.24 3gd3 n SER 265 N -0.24 0.00 -3.91 0.23 3.41 -1.26 -4.51 113.62 107.35 3gd3 n SER 265 Ca 0.06 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.45 3gd3 n SER 265 Cb 0.47 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.25 3gd3 n SER 265 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 175.04 174.66 3gd3 s LEU 266 N 0.00 1.30 0.21 1.04 2.96 -1.26 -4.94 118.68 117.99 3gd3 s LEU 266 Ca 0.00 -0.17 -0.13 0.00 -0.22 0.00 0.00 54.13 53.61 3gd3 s LEU 266 Cb 0.00 -0.55 0.26 0.00 0.50 0.00 0.00 46.19 46.40 3gd3 s LEU 266 CO 0.00 -0.06 1.35 -0.24 -1.32 0.00 0.00 176.35 176.08 3gd3 n SER 267 N 4.18 -0.50 -0.27 3.68 2.88 -1.26 0.10 113.62 122.44 3gd3 n SER 267 Ca -0.22 1.51 -0.05 0.00 -1.33 0.00 0.00 58.87 58.78 3gd3 n SER 267 Cb 0.51 -0.38 0.08 0.00 -0.75 0.00 0.00 64.21 63.67 3gd3 n SER 267 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3gd3 h ALA 268 N 1.34 1.07 0.00 -1.46 0.00 -1.92 -2.67 119.26 115.62 3gd3 h ALA 268 Ca 0.33 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gd3 h ALA 268 Cb 0.55 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gd3 h ALA 268 CO -0.87 0.66 0.00 -0.89 0.00 0.00 0.00 179.25 178.15 3gd3 n ILE 269 N -4.27 0.20 -0.01 0.00 5.41 0.12 -1.01 119.36 119.78 3gd3 n ILE 269 Ca 0.07 0.05 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 3gd3 n ILE 269 Cb 0.19 -0.69 -0.14 0.00 -0.71 0.00 0.00 39.64 38.30 3gd3 n ILE 269 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 3gd3 n ASP 270 N -1.17 2.10 0.10 4.38 9.92 -0.80 -4.11 116.55 126.97 3gd3 n ASP 270 Ca 0.13 0.20 0.12 0.00 -0.53 0.00 0.00 54.79 54.71 3gd3 n ASP 270 Cb 0.14 -0.84 0.45 0.00 -0.64 0.00 0.00 41.12 40.24 3gd3 n ASP 270 CO 0.00 0.00 0.00 0.54 0.13 0.00 0.00 177.20 177.87 3gd3 n ARG 271 N -3.54 0.19 -2.51 -1.24 1.74 -1.03 -4.85 116.66 105.42 3gd3 n ARG 271 Ca -0.33 0.30 -0.36 0.00 -0.77 0.00 0.00 57.85 56.69 3gd3 n ARG 271 Cb 1.02 -1.79 -0.03 0.00 -1.02 0.00 0.00 32.46 30.63 3gd3 n ARG 271 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3gd3 s ALA 272 N -3.19 3.00 0.79 7.54 0.00 -0.18 -5.00 121.76 124.72 3gd3 s ALA 272 Ca 0.07 0.70 -0.16 0.00 0.00 0.00 0.00 51.96 52.57 3gd3 s ALA 272 Cb 0.11 -3.28 -0.06 0.00 0.00 0.00 0.00 23.12 19.89 3gd3 s ALA 272 CO 0.47 -0.29 0.17 0.41 0.00 0.00 0.00 175.76 176.52 3gd3 n GLY 273 N 0.16 -2.43 0.23 0.00 0.00 -1.26 -4.62 105.19 97.27 3gd3 n GLY 273 Ca 0.07 -0.51 0.10 0.00 0.00 0.00 0.00 46.02 45.68 3gd3 n GLY 273 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 h ALA 274 N -0.68 1.07 0.12 4.61 0.00 -1.96 0.35 119.26 122.77 3gd3 h ALA 274 Ca -0.44 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.29 3gd3 h ALA 274 Cb 1.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 19.07 3gd3 h ALA 274 CO 0.37 0.27 -0.21 1.49 0.00 0.00 0.00 179.25 181.17 3gd3 h GLU 275 N 0.00 -0.39 -0.13 0.00 4.22 -1.99 -1.27 114.58 115.02 3gd3 h GLU 275 Ca -0.00 0.03 -0.21 0.00 0.08 0.00 0.00 59.36 59.26 3gd3 h GLU 275 Cb 0.67 0.09 0.01 0.00 0.50 0.00 0.00 28.75 30.02 3gd3 h GLU 275 CO 0.03 -0.26 -0.73 -0.24 -2.18 0.00 0.00 179.01 175.63 3gd3 h VAL 276 N -0.40 1.30 -0.95 0.32 3.04 -1.80 -3.31 116.25 114.45 3gd3 h VAL 276 Ca 0.03 -1.96 0.11 0.00 -1.01 0.00 0.00 66.70 63.87 3gd3 h VAL 276 Cb 0.42 2.06 -0.07 0.00 -2.01 0.00 0.00 31.29 31.69 3gd3 h VAL 276 CO -0.12 0.61 0.61 0.50 -1.01 0.00 0.00 177.57 178.17 3gd3 h LYS 277 N 0.43 0.91 -0.01 4.17 3.64 -0.23 -0.07 116.57 125.40 3gd3 h LYS 277 Ca -0.05 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.27 3gd3 h LYS 277 Cb 1.37 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.99 3gd3 h LYS 277 CO 0.15 0.60 0.00 -1.13 -2.27 0.00 0.00 179.45 176.80 3gd3 n SER 278 N -4.57 0.11 -0.08 4.20 3.41 -0.49 -2.69 113.62 113.51 3gd3 n SER 278 Ca 0.17 -1.69 0.07 0.00 -0.26 0.00 0.00 58.87 57.16 3gd3 n SER 278 Cb 0.34 -0.01 0.09 0.00 -0.26 0.00 0.00 64.21 64.37 3gd3 n SER 278 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 3gd3 n ARG 279 N -0.59 1.58 -4.36 4.33 0.63 -0.05 -4.97 116.66 113.23 3gd3 n ARG 279 Ca 0.08 -2.17 -0.34 0.00 -0.92 0.00 0.00 57.85 54.50 3gd3 n ARG 279 Cb 0.05 -1.29 -0.09 0.00 0.45 0.00 0.00 32.46 31.58 3gd3 n ARG 279 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3gd3 s THR 280 N -2.17 4.21 -0.10 5.15 2.01 -1.10 -3.36 115.64 120.29 3gd3 s THR 280 Ca 0.21 -0.39 -0.00 0.00 0.31 0.00 0.00 61.69 61.82 3gd3 s THR 280 Cb 0.19 -2.81 0.02 0.00 0.01 0.00 0.00 72.50 69.92 3gd3 s THR 280 CO 0.02 0.52 -0.07 0.42 -0.69 0.00 0.00 174.62 174.82 3gd3 s THR 281 N -0.95 0.97 -0.21 -0.82 -4.23 -0.92 -5.02 115.64 104.46 3gd3 s THR 281 Ca 0.15 -0.27 -0.29 0.00 -1.18 0.00 0.00 61.69 60.10 3gd3 s THR 281 Cb -0.11 -0.99 -0.00 0.00 1.34 0.00 0.00 72.50 72.74 3gd3 s THR 281 CO 0.05 0.35 1.15 -0.76 -0.54 0.00 0.00 174.62 174.88 3gd3 s LEU 282 N 1.59 4.12 -0.43 4.79 1.43 -1.26 -2.98 118.68 125.94 3gd3 s LEU 282 Ca 0.02 1.49 -0.21 0.00 -1.03 0.00 0.00 54.13 54.40 3gd3 s LEU 282 Cb -0.13 -3.54 0.02 0.00 0.03 0.00 0.00 46.19 42.57 3gd3 s LEU 282 CO -0.06 -0.74 0.68 0.12 0.23 0.00 0.00 176.35 176.58 3gd3 s PHE 283 N 3.41 3.06 0.00 0.29 5.36 -1.24 -4.70 117.98 124.15 3gd3 s PHE 283 Ca 0.49 0.09 0.00 0.00 -0.96 0.00 0.00 56.93 56.55 3gd3 s PHE 283 Cb -0.18 -3.40 0.00 0.00 -0.34 0.00 0.00 43.02 39.10 3gd3 s PHE 283 CO 0.11 -0.86 0.00 -2.13 -1.46 0.00 0.00 175.22 170.88 3gd3 n ARG 284 N 6.35 0.00 -1.62 10.12 0.63 -1.26 -4.97 116.66 125.92 3gd3 n ARG 284 Ca -0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 3gd3 n ARG 284 Cb 0.48 -0.12 0.07 0.00 0.45 0.00 0.00 32.46 33.34 3gd3 n ARG 284 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 3gd3 n LYS 285 N -1.45 0.13 -0.01 -0.14 5.02 -1.26 -4.98 118.16 115.47 3gd3 n LYS 285 Ca 0.00 -1.45 -0.13 0.00 -2.02 0.00 0.00 58.31 54.71 3gd3 n LYS 285 Cb 0.00 -0.40 -0.10 0.00 -0.02 0.00 0.00 35.03 34.51 3gd3 n LYS 285 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 3gd3 h ILE 286 N -0.60 1.38 -0.87 -0.18 2.04 -2.00 -3.06 117.51 114.22 3gd3 h ILE 286 Ca -0.19 -1.37 0.22 0.00 1.00 0.00 0.00 64.86 64.53 3gd3 h ILE 286 Cb 0.67 2.27 -0.15 0.00 -0.74 0.00 0.00 36.82 38.87 3gd3 h ILE 286 CO 0.19 0.34 0.09 1.23 0.00 0.00 0.00 178.15 180.00 3gd3 h GLY 287 N -0.65 1.14 0.77 5.37 0.00 -2.00 -0.38 103.07 107.33 3gd3 h GLY 287 Ca -0.00 0.08 0.04 0.00 0.00 0.00 0.00 47.33 47.45 3gd3 h GLY 287 CO 0.01 -0.39 0.40 -0.55 0.00 0.00 0.00 176.54 176.01 3gd3 h ASP 288 N 0.11 0.63 0.01 0.19 3.45 -1.90 0.27 116.42 119.17 3gd3 h ASP 288 Ca 0.52 0.02 -0.00 0.00 0.43 0.00 0.00 57.03 57.99 3gd3 h ASP 288 Cb 1.01 -0.12 0.00 0.00 -0.56 0.00 0.00 39.33 39.67 3gd3 h ASP 288 CO -0.74 0.42 -0.00 0.15 -1.57 0.00 0.00 179.24 177.50 3gd3 h PHE 289 N 0.76 -0.01 -0.17 4.55 3.04 -0.99 -2.35 116.94 121.78 3gd3 h PHE 289 Ca 0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 3gd3 h PHE 289 Cb 0.11 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 38.61 3gd3 h PHE 289 CO -0.06 0.02 0.11 0.00 -2.02 0.00 0.00 178.31 176.36 3gd3 h ARG 290 N -0.03 0.22 -0.86 1.11 3.08 -1.07 -1.16 114.38 115.66 3gd3 h ARG 290 Ca -0.00 -0.01 0.16 0.00 0.07 0.00 0.00 59.98 60.20 3gd3 h ARG 290 Cb 0.03 -0.05 -0.10 0.00 0.08 0.00 0.00 29.97 29.93 3gd3 h ARG 290 CO 0.00 0.15 0.43 0.00 -1.07 0.00 0.00 179.97 179.49 3gd3 h ALA 291 N 1.06 1.32 0.04 0.04 0.00 -0.92 -1.67 119.26 119.12 3gd3 h ALA 291 Ca 0.06 0.10 -0.21 0.00 0.00 0.00 0.00 54.91 54.86 3gd3 h ALA 291 Cb -0.02 0.01 0.02 0.00 0.00 0.00 0.00 17.79 17.80 3gd3 h ALA 291 CO -0.01 -0.14 -0.85 1.25 0.00 0.00 0.00 179.25 179.50 3gd3 h LEU 292 N 0.59 0.68 -0.61 0.00 5.85 -1.17 -3.28 115.31 117.36 3gd3 h LEU 292 Ca 0.48 -0.79 0.07 0.00 0.84 0.00 0.00 57.88 58.48 3gd3 h LEU 292 Cb 0.74 -0.21 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3gd3 h LEU 292 CO -0.39 1.39 0.30 -0.08 -0.34 0.00 0.00 178.44 179.32 3gd3 h GLU 293 N 0.05 0.54 0.00 1.25 4.22 -0.65 0.18 114.58 120.17 3gd3 h GLU 293 Ca -0.12 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.29 3gd3 h GLU 293 Cb 1.55 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3gd3 h GLU 293 CO 0.16 0.36 0.00 1.63 -2.18 0.00 0.00 179.01 178.98 3gd3 n LYS 294 N -4.87 0.12 -0.03 1.92 5.02 -0.68 -0.85 118.16 118.79 3gd3 n LYS 294 Ca 0.08 0.49 -0.09 0.00 -2.02 0.00 0.00 58.31 56.77 3gd3 n LYS 294 Cb 0.20 -1.80 -0.14 0.00 -0.02 0.00 0.00 35.03 33.27 3gd3 n LYS 294 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3gd3 n ILE 295 N -2.03 1.58 0.25 -0.18 5.41 -0.04 -4.36 119.36 119.98 3gd3 n ILE 295 Ca 0.01 -0.80 0.11 0.00 1.00 0.00 0.00 62.75 63.07 3gd3 n ILE 295 Cb 0.12 -0.96 0.63 0.00 -0.71 0.00 0.00 39.64 38.71 3gd3 n ILE 295 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 176.55 177.32 3gd3 h SER 296 N 0.00 0.00 -0.73 4.38 4.64 -0.01 -0.83 113.55 121.01 3gd3 h SER 296 Ca -0.31 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.64 3gd3 h SER 296 Cb 2.03 0.00 -0.22 0.00 -0.31 0.00 0.00 62.40 63.91 3gd3 h SER 296 CO 0.07 0.17 0.34 0.54 -0.87 0.00 0.00 176.83 177.08 3gd3 n ARG 297 N -3.64 2.22 0.00 4.77 1.74 -1.19 -4.82 116.66 115.75 3gd3 n ARG 297 Ca -0.01 -3.08 0.00 0.00 -0.77 0.00 0.00 57.85 53.98 3gd3 n ARG 297 Cb 0.30 -2.04 0.00 0.00 -1.02 0.00 0.00 32.46 29.69 3gd3 n ARG 297 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 3gd3 n GLU 298 N -1.05 0.00 -2.22 5.56 2.13 -0.33 -5.10 120.64 119.61 3gd3 n GLU 298 Ca 0.48 0.00 -0.26 0.00 0.66 0.00 0.00 57.16 58.04 3gd3 n GLU 298 Cb 1.40 0.00 0.11 0.00 0.27 0.00 0.00 31.44 33.22 3gd3 n GLU 298 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 3gd3 s VAL 299 N -0.66 2.18 -0.42 6.31 -7.23 -1.12 -5.02 120.40 114.44 3gd3 s VAL 299 Ca 0.00 -0.28 0.23 0.00 -1.81 0.00 0.00 61.98 60.12 3gd3 s VAL 299 Cb 0.00 -2.90 0.07 0.00 0.56 0.00 0.00 36.38 34.12 3gd3 s VAL 299 CO 0.00 0.00 1.25 0.11 -0.31 0.00 0.00 175.10 176.15 3gd3 h LYS 300 N -0.83 0.00 -3.18 4.82 1.57 -1.95 -3.47 116.57 113.53 3gd3 h LYS 300 Ca -0.43 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.19 3gd3 h LYS 300 Cb 1.29 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 33.35 3gd3 h LYS 300 CO 0.50 0.00 -0.43 0.45 -0.57 0.00 0.00 179.45 179.40 3gd3 s SER 301 N -5.05 -0.22 0.12 0.86 0.15 -1.26 -0.68 113.70 107.62 3gd3 s SER 301 Ca 0.03 0.39 0.05 0.00 0.70 0.00 0.00 55.95 57.13 3gd3 s SER 301 Cb 0.10 0.45 -0.04 0.00 -1.71 0.00 0.00 66.02 64.83 3gd3 s SER 301 CO 0.74 -0.13 -0.12 -0.63 1.20 0.00 0.00 173.24 174.30 3gd3 s ILE 302 N -0.11 1.20 -0.00 6.45 1.01 0.24 -3.31 121.20 126.68 3gd3 s ILE 302 Ca -0.02 -1.74 0.02 0.00 0.00 0.00 0.00 60.65 58.91 3gd3 s ILE 302 Cb -0.02 -1.52 -0.01 0.00 0.01 0.00 0.00 42.46 40.92 3gd3 s ILE 302 CO 0.01 -0.50 -0.05 -0.89 0.00 0.00 0.00 174.94 173.51 3gd3 s THR 303 N -2.37 0.40 -0.25 2.92 2.01 0.30 -0.58 115.64 118.06 3gd3 s THR 303 Ca 0.09 -0.27 0.01 0.00 0.31 0.00 0.00 61.69 61.83 3gd3 s THR 303 Cb -0.03 -0.35 0.07 0.00 0.01 0.00 0.00 72.50 72.20 3gd3 s THR 303 CO 0.02 0.08 -0.01 -0.69 -0.69 0.00 0.00 174.62 173.32 3gd3 s VAL 304 N -0.20 1.42 -0.71 3.82 1.01 0.10 -0.74 120.40 125.09 3gd3 s VAL 304 Ca 0.01 -1.30 -0.24 0.00 0.00 0.00 0.00 61.98 60.46 3gd3 s VAL 304 Cb -0.02 -1.79 0.06 0.00 0.00 0.00 0.00 36.38 34.62 3gd3 s VAL 304 CO -0.00 -0.24 1.10 -0.63 0.00 0.00 0.00 175.10 175.32 3gd3 s ILE 305 N 1.42 4.13 0.00 2.22 1.01 0.19 -1.32 121.20 128.85 3gd3 s ILE 305 Ca -0.02 -0.19 0.00 0.00 0.00 0.00 0.00 60.65 60.44 3gd3 s ILE 305 Cb -0.18 -4.78 0.00 0.00 0.01 0.00 0.00 42.46 37.50 3gd3 s ILE 305 CO -0.09 -1.61 0.00 0.61 0.00 0.00 0.00 174.94 173.85 3gd3 n GLY 306 N 5.42 1.21 0.07 6.18 0.00 -1.16 -1.13 105.19 115.78 3gd3 n GLY 306 Ca 0.01 0.50 -0.08 0.00 0.00 0.00 0.00 46.02 46.46 3gd3 n GLY 306 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3gd3 h GLY 307 N 0.00 0.00 0.00 -0.02 0.00 -1.85 -3.41 103.07 97.80 3gd3 h GLY 307 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3gd3 h GLY 307 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.15 3gd3 n GLY 308 N 1.64 -2.22 0.09 4.60 0.00 -1.26 -3.00 105.19 105.04 3gd3 n GLY 308 Ca -0.09 -0.65 -0.15 0.00 0.00 0.00 0.00 46.02 45.12 3gd3 n GLY 308 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3gd3 h PHE 309 N 0.00 0.21 -0.29 1.61 -1.00 -1.94 -3.02 116.94 112.52 3gd3 h PHE 309 Ca 0.00 -0.12 0.04 0.00 2.81 0.00 0.00 57.97 60.70 3gd3 h PHE 309 Cb 0.00 -0.02 -0.06 0.00 3.61 0.00 0.00 35.95 39.48 3gd3 h PHE 309 CO 0.00 0.94 -0.44 1.25 -1.61 0.00 0.00 178.31 178.45 3gd3 h LEU 310 N -0.58 -1.47 -0.51 1.54 5.85 -1.90 0.30 115.31 118.54 3gd3 h LEU 310 Ca -0.03 0.19 0.10 0.00 0.84 0.00 0.00 57.88 58.98 3gd3 h LEU 310 Cb 1.01 0.60 -0.10 0.00 0.37 0.00 0.00 40.66 42.53 3gd3 h LEU 310 CO 0.04 -0.33 -0.19 1.23 -0.34 0.00 0.00 178.44 178.85 3gd3 h GLY 311 N -0.34 0.22 2.00 3.75 0.00 -1.79 -0.89 103.07 106.01 3gd3 h GLY 311 Ca 0.05 0.25 -0.03 0.00 0.00 0.00 0.00 47.33 47.60 3gd3 h GLY 311 CO -0.45 -0.21 -0.14 1.76 0.00 0.00 0.00 176.54 177.50 3gd3 h SER 312 N -0.08 0.00 -0.05 0.19 0.02 -1.24 0.49 113.55 112.88 3gd3 h SER 312 Ca 0.24 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 61.18 3gd3 h SER 312 Cb 0.45 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.99 3gd3 h SER 312 CO -0.57 0.14 -0.02 -0.33 -1.14 0.00 0.00 176.83 174.91 3gd3 h GLU 313 N 0.00 0.10 -0.19 3.45 5.08 0.76 -3.17 114.58 120.62 3gd3 h GLU 313 Ca -0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 3gd3 h GLU 313 Cb 0.81 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.05 3gd3 h GLU 313 CO 0.02 0.49 0.12 -0.07 -1.00 0.00 0.00 179.01 178.57 3gd3 h LEU 314 N -0.29 0.21 -0.69 1.33 3.38 -0.68 -2.10 115.31 116.48 3gd3 h LEU 314 Ca 0.01 -0.01 0.06 0.00 0.09 0.00 0.00 57.88 58.04 3gd3 h LEU 314 Cb 0.46 -0.05 -0.09 0.00 0.09 0.00 0.00 40.66 41.07 3gd3 h LEU 314 CO 0.01 0.15 -0.43 0.00 0.09 0.00 0.00 178.44 178.26 3gd3 h ALA 315 N 1.07 -0.42 -0.36 1.53 0.00 -0.99 0.35 119.26 120.44 3gd3 h ALA 315 Ca 0.07 0.08 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3gd3 h ALA 315 Cb -0.03 1.25 -0.06 0.00 0.00 0.00 0.00 17.79 18.95 3gd3 h ALA 315 CO -0.02 -0.72 -0.04 0.00 0.00 0.00 0.00 179.25 178.48 3gd3 h ALA 317 N 1.33 -0.55 -0.42 0.00 0.00 -0.49 0.15 119.26 119.27 3gd3 h ALA 317 Ca 0.17 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.08 3gd3 h ALA 317 Cb 0.25 0.64 -0.03 0.00 0.00 0.00 0.00 17.79 18.65 3gd3 h ALA 317 CO -0.32 -0.88 0.23 -0.07 0.00 0.00 0.00 179.25 178.20 3gd3 h LEU 318 N -0.52 0.36 -2.11 0.00 3.38 -0.03 -1.79 115.31 114.60 3gd3 h LEU 318 Ca 0.06 0.01 0.05 0.00 0.09 0.00 0.00 57.88 58.09 3gd3 h LEU 318 Cb 0.60 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 3gd3 h LEU 318 CO -0.29 0.26 0.13 1.23 0.09 0.00 0.00 178.44 179.86 3gd3 h GLY 319 N 0.47 0.00 0.03 0.83 0.00 0.89 0.66 103.07 105.94 3gd3 h GLY 319 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 3gd3 h GLY 319 CO -0.10 0.00 -0.00 3.21 0.00 0.00 0.00 176.54 179.65 3gd3 h ARG 320 N 0.00 -0.00 0.00 4.80 2.47 -0.45 -3.04 114.38 118.15 3gd3 h ARG 320 Ca 0.08 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.80 3gd3 h ARG 320 Cb 0.33 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.66 3gd3 h ARG 320 CO -0.00 0.89 0.37 0.87 0.56 0.00 0.00 179.97 182.66 3gd3 h LYS 321 N -0.98 0.00 0.00 0.04 1.79 -0.58 0.10 116.57 116.94 3gd3 h LYS 321 Ca -0.00 0.00 -0.22 0.00 -2.18 0.00 0.00 60.65 58.25 3gd3 h LYS 321 Cb 0.89 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.51 3gd3 h LYS 321 CO 0.00 0.00 -1.20 1.03 -1.08 0.00 0.00 179.45 178.20 3gd3 h SER 322 N 0.00 0.00 0.60 0.86 0.87 0.32 -3.07 113.55 113.13 3gd3 h SER 322 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 3gd3 h SER 322 Cb 0.74 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.70 3gd3 h SER 322 CO 0.00 0.90 0.00 0.00 -0.53 0.00 0.00 176.83 177.20 3gd3 n GLN 323 N -3.19 0.06 -0.12 2.24 6.02 0.02 0.56 117.38 122.98 3gd3 n GLN 323 Ca -0.06 0.29 -0.25 0.00 -0.01 0.00 0.00 57.00 56.97 3gd3 n GLN 323 Cb 0.94 -1.62 -0.11 0.00 1.02 0.00 0.00 30.24 30.47 3gd3 n GLN 323 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3gd3 n ALA 324 N -1.59 1.13 0.30 -1.58 0.00 -1.24 -4.72 120.51 112.81 3gd3 n ALA 324 Ca 0.03 -0.93 0.12 0.00 0.00 0.00 0.00 53.44 52.66 3gd3 n ALA 324 Cb 0.20 -0.13 0.06 0.00 0.00 0.00 0.00 19.45 19.58 3gd3 n ALA 324 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gd3 h SER 325 N -0.71 0.00 -3.97 0.00 4.64 -1.35 -3.48 113.55 108.67 3gd3 h SER 325 Ca -0.58 -0.10 -0.23 0.00 -0.47 0.00 0.00 61.79 60.40 3gd3 h SER 325 Cb 1.64 0.00 0.09 0.00 -0.31 0.00 0.00 62.40 63.82 3gd3 h SER 325 CO -0.27 0.05 -0.42 0.61 -0.87 0.00 0.00 176.83 175.93 3gd3 n GLY 326 N 1.24 0.03 3.90 -0.77 0.00 0.19 -5.01 105.19 104.77 3gd3 n GLY 326 Ca 0.01 -0.12 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 3gd3 n GLY 326 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3gd3 s ILE 327 N -3.20 5.39 -0.18 -0.61 2.07 -1.24 -5.04 121.20 118.41 3gd3 s ILE 327 Ca 0.29 -0.02 -0.28 0.00 -1.41 0.00 0.00 60.65 59.24 3gd3 s ILE 327 Cb -0.13 -3.54 -0.00 0.00 0.13 0.00 0.00 42.46 38.92 3gd3 s ILE 327 CO 0.44 0.36 0.96 -0.70 -1.91 0.00 0.00 174.94 174.09 3gd3 s GLU 328 N -1.82 4.31 -0.22 3.50 2.12 0.15 -4.88 118.70 121.86 3gd3 s GLU 328 Ca 0.27 1.26 0.01 0.00 0.36 0.00 0.00 54.97 56.86 3gd3 s GLU 328 Cb -0.13 -3.60 0.05 0.00 0.26 0.00 0.00 34.13 30.72 3gd3 s GLU 328 CO 0.17 -0.46 -0.09 0.08 -0.54 0.00 0.00 175.26 174.43 3gd3 s VAL 329 N 2.57 1.65 -0.04 3.70 1.01 -1.26 0.80 120.40 128.84 3gd3 s VAL 329 Ca 0.43 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 61.28 3gd3 s VAL 329 Cb -0.16 -1.80 -0.03 0.00 0.00 0.00 0.00 36.38 34.38 3gd3 s VAL 329 CO 0.11 0.05 -0.07 -0.63 0.00 0.00 0.00 175.10 174.56 3gd3 s ILE 330 N 1.37 3.65 -0.30 2.22 1.01 0.25 -0.67 121.20 128.72 3gd3 s ILE 330 Ca -0.04 -0.61 -0.01 0.00 0.00 0.00 0.00 60.65 60.00 3gd3 s ILE 330 Cb -0.18 -2.52 0.10 0.00 0.01 0.00 0.00 42.46 39.87 3gd3 s ILE 330 CO -0.07 0.52 0.09 -1.58 0.00 0.00 0.00 174.94 173.90 3gd3 s GLN 331 N -1.04 0.73 -0.08 2.79 0.74 -0.54 0.02 119.66 122.27 3gd3 s GLN 331 Ca 0.14 -1.04 0.00 0.00 0.05 0.00 0.00 55.36 54.51 3gd3 s GLN 331 Cb -0.11 -2.00 -0.03 0.00 1.10 0.00 0.00 33.01 31.97 3gd3 s GLN 331 CO 0.04 -0.96 -0.07 -0.48 -0.55 0.00 0.00 175.29 173.26 3gd3 s LEU 332 N 1.62 3.14 0.15 3.68 2.34 -0.44 -1.36 118.68 127.82 3gd3 s LEU 332 Ca 0.09 -0.06 -0.14 0.00 0.06 0.00 0.00 54.13 54.08 3gd3 s LEU 332 Cb -0.17 -1.69 0.02 0.00 -0.56 0.00 0.00 46.19 43.78 3gd3 s LEU 332 CO -0.24 0.32 0.39 0.72 -1.06 0.00 0.00 176.35 176.48 3gd3 s PHE 333 N -0.58 -0.03 -0.51 3.48 -0.12 -1.09 -2.97 117.98 116.16 3gd3 s PHE 333 Ca 0.09 -0.32 0.25 0.00 -0.05 0.00 0.00 56.93 56.90 3gd3 s PHE 333 Cb -0.12 0.20 0.67 0.00 -0.63 0.00 0.00 43.02 43.15 3gd3 s PHE 333 CO 0.02 -0.75 1.72 -1.00 -0.05 0.00 0.00 175.22 175.16 3gd3 h PRO 334 N 2.39 0.00 -7.25 1.99 0.13 -1.80 0.34 132.00 127.80 3gd3 h PRO 334 Ca -0.32 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.31 3gd3 h PRO 334 Cb 1.25 0.00 0.05 0.00 0.13 0.00 0.00 31.00 32.43 3gd3 h PRO 334 CO 0.45 0.00 0.35 -1.21 -0.23 0.00 0.00 178.00 177.36 3gd3 s GLU 335 N -3.22 3.60 0.21 0.86 8.01 -1.26 -3.89 118.70 123.02 3gd3 s GLU 335 Ca 0.08 0.63 0.20 0.00 0.01 0.00 0.00 54.97 55.89 3gd3 s GLU 335 Cb 0.09 -2.15 0.89 0.00 -4.31 0.00 0.00 34.13 28.64 3gd3 s GLU 335 CO 0.61 -0.47 1.61 1.63 0.01 0.00 0.00 175.26 178.65 3gd3 n LYS 336 N -2.57 0.14 -3.82 1.61 5.02 -1.26 -1.82 118.16 115.45 3gd3 n LYS 336 Ca 0.05 0.44 -0.06 0.00 -2.02 0.00 0.00 58.31 56.72 3gd3 n LYS 336 Cb 0.54 -1.80 0.00 0.00 -0.02 0.00 0.00 35.03 33.76 3gd3 n LYS 336 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 3gd3 s GLY 337 N -3.42 0.07 -0.25 0.72 0.00 -1.26 -4.79 107.32 98.40 3gd3 s GLY 337 Ca 0.03 -0.37 -0.29 0.00 0.00 0.00 0.00 44.72 44.09 3gd3 s GLY 337 CO 0.30 0.33 1.78 -1.31 0.00 0.00 0.00 173.10 174.21 3gd3 s ASN 338 N -3.07 6.08 -0.96 1.64 -0.87 -1.14 -1.62 114.94 115.00 3gd3 s ASN 338 Ca 0.15 1.59 0.00 0.00 -1.57 0.00 0.00 52.86 53.03 3gd3 s ASN 338 Cb -0.04 -2.53 0.00 0.00 -0.02 0.00 0.00 41.25 38.66 3gd3 s ASN 338 CO 0.07 -1.51 0.00 0.23 -2.57 0.00 0.00 177.10 173.32 3gd3 n MET 339 N 8.10 -0.80 0.14 -0.60 2.81 -1.16 -4.41 117.12 121.20 3gd3 n MET 339 Ca 0.22 0.62 0.11 0.00 -1.81 0.00 0.00 57.70 56.84 3gd3 n MET 339 Cb 0.46 -4.66 0.52 0.00 -0.71 0.00 0.00 33.22 28.83 3gd3 n MET 339 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3gd3 n GLY 340 N -1.24 -0.96 0.16 3.03 0.00 -0.64 0.14 105.19 105.68 3gd3 n GLY 340 Ca -0.12 0.15 0.06 0.00 0.00 0.00 0.00 46.02 46.11 3gd3 n GLY 340 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3gd3 h LYS 341 N 0.00 0.00 0.00 1.61 1.57 -1.90 -3.40 116.57 114.44 3gd3 h LYS 341 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gd3 h LYS 341 Cb 0.11 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.42 3gd3 h LYS 341 CO 0.00 0.30 -0.52 -0.89 -0.57 0.00 0.00 179.45 177.77 3gd3 n ILE 342 N -3.11 0.97 -2.23 1.86 2.08 0.11 -2.63 119.36 116.40 3gd3 n ILE 342 Ca 0.01 0.26 -0.38 0.00 0.56 0.00 0.00 62.75 63.20 3gd3 n ILE 342 Cb 0.67 -1.92 -0.01 0.00 -0.75 0.00 0.00 39.64 37.63 3gd3 n ILE 342 CO 0.00 0.00 0.00 -0.76 0.56 0.00 0.00 176.55 176.35 3gd3 s LEU 343 N -6.82 4.15 0.64 1.39 1.43 0.38 -2.70 118.68 117.16 3gd3 s LEU 343 Ca -0.15 2.40 -0.17 0.00 -1.03 0.00 0.00 54.13 55.18 3gd3 s LEU 343 Cb 0.02 -4.05 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 3gd3 s LEU 343 CO 0.22 -0.78 0.67 -2.65 0.23 0.00 0.00 176.35 174.04 3gd3 n PRO 344 N -0.06 0.52 -0.26 1.29 -0.02 -1.26 -4.55 135.00 130.66 3gd3 n PRO 344 Ca 0.05 0.22 -0.07 0.00 -2.02 0.00 0.00 63.50 61.68 3gd3 n PRO 344 Cb 0.46 -1.90 -0.06 0.00 -0.02 0.00 0.00 33.50 31.98 3gd3 n PRO 344 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 3gd3 n GLN 345 N -0.69 -0.27 -0.16 -0.52 0.00 -1.26 -0.80 117.38 113.68 3gd3 n GLN 345 Ca 0.12 0.99 -0.10 0.00 -0.00 0.00 0.00 57.00 58.01 3gd3 n GLN 345 Cb 0.49 -1.45 -0.00 0.00 0.00 0.00 0.00 30.24 29.27 3gd3 n GLN 345 CO 0.00 0.00 0.00 0.10 0.00 0.00 0.00 177.06 177.16 3gd3 h TYR 346 N 0.00 0.81 0.25 3.69 -0.00 -1.98 -1.38 116.97 118.36 3gd3 h TYR 346 Ca 0.10 -0.12 -0.01 0.00 -0.00 0.00 0.00 58.73 58.70 3gd3 h TYR 346 Cb 0.25 -0.22 0.00 0.00 -0.00 0.00 0.00 36.73 36.77 3gd3 h TYR 346 CO -0.68 0.77 -0.12 1.25 -0.00 0.00 0.00 178.16 179.37 3gd3 h LEU 347 N 0.62 -0.29 -0.86 0.10 5.85 -1.76 0.34 115.31 119.31 3gd3 h LEU 347 Ca 0.14 -0.23 0.31 0.00 0.84 0.00 0.00 57.88 58.93 3gd3 h LEU 347 Cb 0.40 0.07 -0.16 0.00 0.37 0.00 0.00 40.66 41.35 3gd3 h LEU 347 CO 0.01 0.13 0.27 -0.24 -0.34 0.00 0.00 178.44 178.28 3gd3 n SER 348 N -5.06 0.13 0.09 1.25 2.88 0.02 0.04 113.62 112.97 3gd3 n SER 348 Ca -0.09 1.45 -0.13 0.00 -1.33 0.00 0.00 58.87 58.77 3gd3 n SER 348 Cb 0.26 -0.63 -0.13 0.00 -0.75 0.00 0.00 64.21 62.96 3gd3 n SER 348 CO 0.00 0.00 0.00 -1.13 -1.23 0.00 0.00 175.04 172.68 3gd3 h ASN 349 N 0.00 0.30 0.28 -3.46 -0.73 -0.70 -2.67 115.58 108.61 3gd3 h ASN 349 Ca 0.64 -0.32 -0.11 0.00 1.87 0.00 0.00 56.30 58.39 3gd3 h ASN 349 Cb 1.57 -0.10 -0.01 0.00 0.27 0.00 0.00 38.32 40.06 3gd3 h ASN 349 CO -0.73 1.24 -0.45 -0.25 -0.37 0.00 0.00 177.43 176.88 3gd3 h TRP 350 N 0.05 0.25 0.29 0.67 7.01 0.36 -0.92 115.95 123.65 3gd3 h TRP 350 Ca -0.09 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.82 3gd3 h TRP 350 Cb 1.90 -0.05 0.00 0.00 -2.10 0.00 0.00 29.16 28.91 3gd3 h TRP 350 CO 0.04 0.62 -0.14 1.15 -2.79 0.00 0.00 178.44 177.33 3gd3 h THR 351 N 0.17 0.69 -1.00 2.65 2.02 -0.84 -0.79 112.91 115.80 3gd3 h THR 351 Ca 0.01 -0.70 0.29 0.00 0.77 0.00 0.00 66.41 66.78 3gd3 h THR 351 Cb 0.86 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 68.26 3gd3 h THR 351 CO 0.07 0.13 0.83 -0.03 0.37 0.00 0.00 175.52 176.89 3gd3 h MET 352 N -0.80 0.00 0.02 6.66 1.85 -1.29 0.13 114.93 121.50 3gd3 h MET 352 Ca -0.04 0.00 -0.05 0.00 -0.61 0.00 0.00 59.70 59.00 3gd3 h MET 352 Cb 0.51 0.00 0.01 0.00 0.43 0.00 0.00 31.60 32.55 3gd3 h MET 352 CO 0.07 0.00 -0.22 1.49 -0.40 0.00 0.00 176.91 177.84 3gd3 h GLU 353 N 0.00 0.11 0.00 0.39 4.57 -0.83 -2.22 114.58 116.61 3gd3 h GLU 353 Ca 0.48 -0.15 -0.04 0.00 -1.18 0.00 0.00 59.36 58.47 3gd3 h GLU 353 Cb 2.14 0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 30.77 3gd3 h GLU 353 CO -0.01 0.99 -0.21 -0.22 -1.18 0.00 0.00 179.01 178.38 3gd3 h LYS 354 N -0.70 0.00 -0.02 1.92 1.63 0.59 0.30 116.57 120.29 3gd3 h LYS 354 Ca -0.03 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 59.64 3gd3 h LYS 354 Cb 1.08 0.00 0.01 0.00 -0.60 0.00 0.00 32.23 32.72 3gd3 h LYS 354 CO 0.04 0.21 -0.48 0.28 -3.45 0.00 0.00 179.45 176.05 3gd3 h VAL 355 N 0.00 1.45 -0.73 2.00 2.07 -0.96 -2.42 116.25 117.66 3gd3 h VAL 355 Ca -0.00 -1.98 -0.01 0.00 0.82 0.00 0.00 66.70 65.53 3gd3 h VAL 355 Cb 0.53 2.55 -0.03 0.00 -1.52 0.00 0.00 31.29 32.82 3gd3 h VAL 355 CO 0.03 0.57 0.43 0.11 0.02 0.00 0.00 177.57 178.72 3gd3 h LYS 356 N -0.17 1.00 0.00 1.57 1.57 -1.12 -0.76 116.57 118.65 3gd3 h LYS 356 Ca -0.05 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3gd3 h LYS 356 Cb 1.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3gd3 h LYS 356 CO 0.10 0.72 0.04 -2.13 -0.57 0.00 0.00 179.45 177.60 3gd3 n ARG 357 N -4.51 0.06 -0.78 3.15 0.63 0.10 -1.12 116.66 114.20 3gd3 n ARG 357 Ca 0.06 0.55 0.08 0.00 -0.92 0.00 0.00 57.85 57.62 3gd3 n ARG 357 Cb 0.07 -1.75 0.37 0.00 0.45 0.00 0.00 32.46 31.60 3gd3 n ARG 357 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 3gd3 n GLU 358 N -1.83 4.42 -2.67 -0.14 -0.58 -0.29 -4.96 120.64 114.58 3gd3 n GLU 358 Ca -0.01 -3.07 -0.10 0.00 -0.42 0.00 0.00 57.16 53.56 3gd3 n GLU 358 Cb 0.05 -2.15 0.05 0.00 -0.57 0.00 0.00 31.44 28.82 3gd3 n GLU 358 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3gd3 n GLY 359 N 0.49 -0.32 2.99 0.62 0.00 -0.27 -4.44 105.19 104.26 3gd3 n GLY 359 Ca 0.26 0.18 -0.19 0.00 0.00 0.00 0.00 46.02 46.27 3gd3 n GLY 359 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 360 N -3.24 0.68 -0.39 1.61 1.01 -1.22 -4.64 120.40 114.21 3gd3 s VAL 360 Ca 0.22 -0.32 -0.22 0.00 0.00 0.00 0.00 61.98 61.66 3gd3 s VAL 360 Cb -0.03 -0.60 0.01 0.00 0.00 0.00 0.00 36.38 35.76 3gd3 s VAL 360 CO 0.46 0.21 0.73 -0.75 0.00 0.00 0.00 175.10 175.76 3gd3 s LYS 361 N 0.12 3.59 -0.19 2.72 2.20 0.15 -4.39 119.74 123.94 3gd3 s LYS 361 Ca -0.02 0.06 -0.09 0.00 -0.36 0.00 0.00 55.97 55.56 3gd3 s LYS 361 Cb -0.07 -3.86 -0.05 0.00 -1.51 0.00 0.00 37.83 32.34 3gd3 s LYS 361 CO 0.00 -0.91 0.12 0.08 -0.36 0.00 0.00 175.35 174.28 3gd3 s VAL 362 N 3.03 5.35 -0.60 4.02 1.01 -1.26 -1.47 120.40 130.47 3gd3 s VAL 362 Ca 0.28 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.48 3gd3 s VAL 362 Cb -0.13 -3.42 0.21 0.00 0.00 0.00 0.00 36.38 33.04 3gd3 s VAL 362 CO 0.18 0.47 0.58 0.23 0.00 0.00 0.00 175.10 176.56 3gd3 n MET 363 N 3.32 1.75 -1.34 2.72 2.81 -0.47 -4.96 117.12 120.94 3gd3 n MET 363 Ca -0.17 -4.23 -0.30 0.00 -1.81 0.00 0.00 57.70 51.20 3gd3 n MET 363 Cb 0.52 -2.06 0.13 0.00 -0.71 0.00 0.00 33.22 31.11 3gd3 n MET 363 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3gd3 s PRO 364 N -1.63 1.38 -1.33 0.03 0.04 -1.26 -2.66 135.00 129.56 3gd3 s PRO 364 Ca 0.33 0.66 -0.06 0.00 0.04 0.00 0.00 61.00 61.97 3gd3 s PRO 364 Cb 0.07 -1.84 0.02 0.00 0.04 0.00 0.00 34.50 32.79 3gd3 s PRO 364 CO -0.11 -2.12 1.06 0.09 0.04 0.00 0.00 177.00 175.97 3gd3 n ASN 365 N -3.77 -4.43 -3.99 6.66 4.13 -0.76 -4.87 115.26 108.23 3gd3 n ASN 365 Ca 0.07 -0.62 -0.30 0.00 1.68 0.00 0.00 54.58 55.41 3gd3 n ASN 365 Cb 0.56 -4.81 -0.16 0.00 -1.54 0.00 0.00 39.78 33.83 3gd3 n ASN 365 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gd3 s ALA 366 N -3.36 1.80 -0.14 5.41 0.00 0.11 -4.94 121.76 120.64 3gd3 s ALA 366 Ca 0.38 -0.92 -0.00 0.00 0.00 0.00 0.00 51.96 51.41 3gd3 s ALA 366 Cb -0.17 -1.09 -0.01 0.00 0.00 0.00 0.00 23.12 21.85 3gd3 s ALA 366 CO 0.75 -0.51 -0.13 0.42 0.00 0.00 0.00 175.76 176.29 3gd3 s ILE 367 N 1.50 2.98 -0.06 0.00 1.01 -1.26 -2.45 121.20 122.92 3gd3 s ILE 367 Ca 0.03 -0.68 -0.30 0.00 0.00 0.00 0.00 60.65 59.71 3gd3 s ILE 367 Cb -0.14 -2.26 -0.02 0.00 0.01 0.00 0.00 42.46 40.05 3gd3 s ILE 367 CO -0.10 0.51 1.06 -0.69 0.00 0.00 0.00 174.94 175.73 3gd3 s VAL 368 N 0.57 4.61 -0.16 2.92 1.01 -1.26 0.15 120.40 128.25 3gd3 s VAL 368 Ca -0.08 1.89 -0.12 0.00 0.00 0.00 0.00 61.98 63.67 3gd3 s VAL 368 Cb -0.16 -4.21 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 3gd3 s VAL 368 CO 0.03 0.05 -0.21 1.67 0.00 0.00 0.00 175.10 176.64 3gd3 n GLN 369 N 4.71 0.48 -4.21 2.72 7.27 0.19 -4.71 117.38 123.83 3gd3 n GLN 369 Ca 0.09 0.43 -0.15 0.00 0.07 0.00 0.00 57.00 57.44 3gd3 n GLN 369 Cb 0.48 -1.62 -0.11 0.00 2.41 0.00 0.00 30.24 31.41 3gd3 n GLN 369 CO 0.00 0.00 0.00 -1.54 0.07 0.00 0.00 177.06 175.59 3gd3 s SER 370 N -5.86 1.67 -0.04 1.69 1.04 -0.97 -4.76 113.70 106.46 3gd3 s SER 370 Ca -0.20 -0.86 0.01 0.00 0.48 0.00 0.00 55.95 55.38 3gd3 s SER 370 Cb 0.03 -0.02 0.02 0.00 0.10 0.00 0.00 66.02 66.16 3gd3 s SER 370 CO 0.30 -0.25 -0.04 -0.69 0.98 0.00 0.00 173.24 173.54 3gd3 s VAL 371 N -2.57 0.52 0.00 5.02 1.01 -1.26 -2.40 120.40 120.72 3gd3 s VAL 371 Ca 0.09 -0.11 0.00 0.00 0.00 0.00 0.00 61.98 61.96 3gd3 s VAL 371 Cb -0.02 -0.55 0.00 0.00 0.00 0.00 0.00 36.38 35.81 3gd3 s VAL 371 CO 0.01 0.22 0.00 0.61 0.00 0.00 0.00 175.10 175.94 3gd3 n GLY 372 N 4.05 5.24 2.92 4.51 0.00 -1.11 -4.53 105.19 116.27 3gd3 n GLY 372 Ca -0.25 -0.72 -0.14 0.00 0.00 0.00 0.00 46.02 44.92 3gd3 n GLY 372 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gd3 s VAL 373 N 1.65 -0.04 -0.09 1.61 1.01 -1.26 -3.70 120.40 119.57 3gd3 s VAL 373 Ca 0.00 0.16 -0.23 0.00 0.00 0.00 0.00 61.98 61.91 3gd3 s VAL 373 Cb 0.00 -0.21 0.05 0.00 0.00 0.00 0.00 36.38 36.22 3gd3 s VAL 373 CO 0.00 0.06 0.55 -0.55 0.00 0.00 0.00 175.10 175.16 3gd3 s SER 374 N 1.00 -0.52 -1.42 3.32 0.15 -1.15 -4.91 113.70 110.16 3gd3 s SER 374 Ca -0.08 0.69 0.00 0.00 0.70 0.00 0.00 55.95 57.27 3gd3 s SER 374 Cb -0.10 0.68 0.00 0.00 -1.71 0.00 0.00 66.02 64.89 3gd3 s SER 374 CO -0.05 -0.43 0.00 0.61 1.20 0.00 0.00 173.24 174.57 3gd3 n GLY 375 N 1.61 0.45 2.59 9.45 0.00 -1.26 -1.24 105.19 116.79 3gd3 n GLY 375 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3gd3 n GLY 375 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 376 N -0.57 2.72 2.11 -0.02 0.00 -1.26 -5.01 105.19 103.16 3gd3 n GLY 376 Ca -0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.73 3gd3 n GLY 376 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 n ARG 377 N -0.17 0.06 -3.47 1.61 1.74 -0.37 -5.08 116.66 110.98 3gd3 n ARG 377 Ca 0.00 -1.42 -0.37 0.00 -0.77 0.00 0.00 57.85 55.29 3gd3 n ARG 377 Cb 0.00 -0.43 -0.06 0.00 -1.02 0.00 0.00 32.46 30.95 3gd3 n ARG 377 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 3gd3 s LEU 378 N 0.00 4.32 -0.22 0.55 1.43 0.02 -2.96 118.68 121.81 3gd3 s LEU 378 Ca 0.37 0.72 -0.11 0.00 -1.03 0.00 0.00 54.13 54.08 3gd3 s LEU 378 Cb -0.02 -2.52 -0.05 0.00 0.03 0.00 0.00 46.19 43.63 3gd3 s LEU 378 CO 0.25 0.13 0.19 -0.76 0.23 0.00 0.00 176.35 176.39 3gd3 s LEU 379 N 0.08 4.15 -0.44 1.79 1.43 -1.24 -2.35 118.68 122.10 3gd3 s LEU 379 Ca 0.21 0.22 0.02 0.00 -1.03 0.00 0.00 54.13 53.56 3gd3 s LEU 379 Cb -0.15 -2.17 0.13 0.00 0.03 0.00 0.00 46.19 44.03 3gd3 s LEU 379 CO 0.08 0.08 0.21 0.27 0.23 0.00 0.00 176.35 177.22 3gd3 s ILE 380 N 0.88 1.76 -0.26 -0.59 -4.36 -0.68 -2.76 121.20 115.18 3gd3 s ILE 380 Ca 0.10 -2.63 -0.29 0.00 -0.26 0.00 0.00 60.65 57.56 3gd3 s ILE 380 Cb -0.13 -2.24 0.01 0.00 1.25 0.00 0.00 42.46 41.35 3gd3 s ILE 380 CO 0.03 -0.82 1.09 -0.54 0.24 0.00 0.00 174.94 174.94 3gd3 s LYS 381 N 0.35 4.17 1.10 0.37 1.02 -1.01 -2.05 119.74 123.69 3gd3 s LYS 381 Ca 0.16 1.28 -0.17 0.00 0.02 0.00 0.00 55.97 57.26 3gd3 s LYS 381 Cb -0.24 -3.70 0.24 0.00 -0.52 0.00 0.00 37.83 33.61 3gd3 s LYS 381 CO -0.03 -0.76 1.14 -0.51 -0.92 0.00 0.00 175.35 174.27 3gd3 s LEU 382 N 3.46 1.30 -0.11 3.17 1.43 -0.81 -0.64 118.68 126.48 3gd3 s LEU 382 Ca 0.46 0.70 0.15 0.00 -1.03 0.00 0.00 54.13 54.40 3gd3 s LEU 382 Cb -0.15 -2.61 -0.24 0.00 0.03 0.00 0.00 46.19 43.22 3gd3 s LEU 382 CO 0.11 -3.57 0.42 1.17 0.23 0.00 0.00 176.35 174.71 3gd3 n LYS 383 N -4.40 0.66 0.18 1.70 4.81 0.41 -4.20 118.16 117.31 3gd3 n LYS 383 Ca 0.11 0.17 0.05 0.00 -0.87 0.00 0.00 58.31 57.78 3gd3 n LYS 383 Cb 0.59 -1.68 0.29 0.00 0.02 0.00 0.00 35.03 34.25 3gd3 n LYS 383 CO 0.00 0.00 0.00 0.38 1.17 0.00 0.00 177.40 178.95 3gd3 h ASP 384 N 0.00 0.00 0.00 3.14 3.04 -1.93 -3.48 116.42 117.20 3gd3 h ASP 384 Ca -0.39 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.40 3gd3 h ASP 384 Cb 2.11 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 40.40 3gd3 h ASP 384 CO 0.06 0.40 0.00 0.61 -2.04 0.00 0.00 179.24 178.27 3gd3 n GLY 385 N 0.36 2.96 3.57 7.15 0.00 -1.26 -5.14 105.19 112.83 3gd3 n GLY 385 Ca 0.00 -0.40 -0.36 0.00 0.00 0.00 0.00 46.02 45.26 3gd3 n GLY 385 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 n ARG 386 N 0.00 0.48 -4.18 1.61 5.12 -1.26 -4.74 116.66 113.70 3gd3 n ARG 386 Ca 0.00 0.21 -0.16 0.00 -1.93 0.00 0.00 57.85 55.98 3gd3 n ARG 386 Cb 0.00 -2.10 -0.14 0.00 -1.16 0.00 0.00 32.46 29.06 3gd3 n ARG 386 CO 0.00 0.00 0.00 -1.59 -1.93 0.00 0.00 177.63 174.11 3gd3 s LYS 387 N -3.10 0.52 -0.03 5.56 -2.85 -1.26 -1.93 119.74 116.65 3gd3 s LYS 387 Ca 0.71 -0.36 0.07 0.00 -1.00 0.00 0.00 55.97 55.39 3gd3 s LYS 387 Cb -0.36 -0.45 -0.01 0.00 -2.06 0.00 0.00 37.83 34.95 3gd3 s LYS 387 CO 0.52 0.12 -0.23 0.08 0.10 0.00 0.00 175.35 175.94 3gd3 s VAL 388 N -0.45 1.80 -0.16 1.79 1.01 -0.87 -5.00 120.40 118.52 3gd3 s VAL 388 Ca -0.00 -0.96 0.01 0.00 0.00 0.00 0.00 61.98 61.03 3gd3 s VAL 388 Cb -0.04 -1.50 0.01 0.00 0.00 0.00 0.00 36.38 34.84 3gd3 s VAL 388 CO -0.00 0.51 -0.18 -0.70 0.00 0.00 0.00 175.10 174.72 3gd3 s GLU 389 N -0.39 3.10 0.19 2.72 2.12 -1.26 -1.69 118.70 123.49 3gd3 s GLU 389 Ca 0.05 -0.80 -0.11 0.00 0.36 0.00 0.00 54.97 54.47 3gd3 s GLU 389 Cb -0.10 -2.56 -0.00 0.00 0.26 0.00 0.00 34.13 31.73 3gd3 s GLU 389 CO 0.00 -0.04 0.36 -0.08 -0.54 0.00 0.00 175.26 174.96 3gd3 s THR 390 N 0.92 0.04 -0.10 -1.70 -1.32 -0.99 -4.99 115.64 107.50 3gd3 s THR 390 Ca -0.04 -1.32 0.12 0.00 -1.21 0.00 0.00 61.69 59.24 3gd3 s THR 390 Cb -0.15 -1.92 -0.24 0.00 -1.51 0.00 0.00 72.50 68.68 3gd3 s THR 390 CO -0.03 -0.18 0.43 0.47 -2.21 0.00 0.00 174.62 173.10 3gd3 n ASP 391 N -0.28 0.76 -3.72 8.08 10.43 -1.21 -0.80 116.55 129.80 3gd3 n ASP 391 Ca -0.06 0.25 -0.12 0.00 2.57 0.00 0.00 54.79 57.44 3gd3 n ASP 391 Cb 0.63 0.17 -0.11 0.00 1.84 0.00 0.00 41.12 43.65 3gd3 n ASP 391 CO 0.00 0.00 0.00 -2.28 -1.07 0.00 0.00 177.20 173.85 3gd3 s HIS 392 N -2.56 -0.46 -0.16 1.24 2.46 -1.21 -4.82 115.29 109.79 3gd3 s HIS 392 Ca -0.09 1.04 -0.08 0.00 0.47 0.00 0.00 55.06 56.40 3gd3 s HIS 392 Cb 0.07 0.17 -0.04 0.00 -0.13 0.00 0.00 32.58 32.64 3gd3 s HIS 392 CO 0.81 -0.26 0.13 0.42 -2.47 0.00 0.00 174.74 173.37 3gd3 s ILE 393 N 0.90 5.40 -0.08 0.89 1.01 -1.21 -0.54 121.20 127.56 3gd3 s ILE 393 Ca -0.06 0.18 0.03 0.00 0.00 0.00 0.00 60.65 60.80 3gd3 s ILE 393 Cb -0.07 -3.40 0.00 0.00 0.01 0.00 0.00 42.46 39.01 3gd3 s ILE 393 CO -0.07 0.53 -0.19 -0.69 0.00 0.00 0.00 174.94 174.53 3gd3 s VAL 394 N -0.35 1.63 -0.15 2.92 1.01 0.08 -2.17 120.40 123.38 3gd3 s VAL 394 Ca 0.11 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.31 3gd3 s VAL 394 Cb -0.12 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.82 3gd3 s VAL 394 CO 0.01 0.47 -0.12 0.42 0.00 0.00 0.00 175.10 175.88 3gd3 s THR 395 N 0.41 3.03 -0.45 3.92 -4.23 -1.16 -0.64 115.64 116.52 3gd3 s THR 395 Ca -0.15 -0.66 0.09 0.00 -1.18 0.00 0.00 61.69 59.80 3gd3 s THR 395 Cb -0.16 -2.29 0.37 0.00 1.34 0.00 0.00 72.50 71.75 3gd3 s THR 395 CO 0.06 0.51 0.88 0.00 -0.54 0.00 0.00 174.62 175.53 3gd3 n ALA 396 N 3.81 3.52 -1.09 3.99 0.00 -0.29 -3.74 120.51 126.72 3gd3 n ALA 396 Ca -0.18 -3.97 -0.16 0.00 0.00 0.00 0.00 53.44 49.12 3gd3 n ALA 396 Cb 0.52 -0.81 0.23 0.00 0.00 0.00 0.00 19.45 19.39 3gd3 n ALA 396 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3gd3 n VAL 397 N -0.04 3.04 0.00 0.00 0.24 -1.26 -4.30 118.33 116.01 3gd3 n VAL 397 Ca 0.27 -1.74 0.00 0.00 -2.04 0.00 0.00 64.34 60.83 3gd3 n VAL 397 Cb 0.57 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.51 3gd3 n VAL 397 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3gd3 n GLY 398 N -0.68 0.53 3.41 7.63 0.00 -1.26 -4.76 105.19 110.06 3gd3 n GLY 398 Ca 0.51 -2.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.14 3gd3 n GLY 398 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gd3 s LEU 399 N -0.05 2.41 -0.23 0.99 2.96 -1.26 -1.22 118.68 122.28 3gd3 s LEU 399 Ca 0.00 -0.56 -0.01 0.00 -0.22 0.00 0.00 54.13 53.34 3gd3 s LEU 399 Cb 0.00 -1.38 0.02 0.00 0.50 0.00 0.00 46.19 45.33 3gd3 s LEU 399 CO 0.00 0.23 -0.10 -0.70 -1.32 0.00 0.00 176.35 174.46 3gd3 s GLU 400 N -1.59 2.87 0.09 1.98 2.56 0.10 -4.79 118.70 119.93 3gd3 s GLU 400 Ca 0.14 -0.94 -0.33 0.00 0.00 0.00 0.00 54.97 53.84 3gd3 s GLU 400 Cb -0.10 -2.87 -0.12 0.00 2.00 0.00 0.00 34.13 33.04 3gd3 s GLU 400 CO 0.05 -0.35 1.74 -0.35 -0.56 0.00 0.00 175.26 175.79 3gd3 n PRO 401 N 4.64 2.39 -2.56 4.30 -0.04 -1.26 -0.13 135.00 142.34 3gd3 n PRO 401 Ca -0.18 0.87 -0.41 0.00 -0.04 0.00 0.00 63.50 63.74 3gd3 n PRO 401 Cb 0.48 -2.70 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 3gd3 n PRO 401 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 3gd3 s ASN 402 N 2.26 6.26 -0.14 3.54 0.02 -0.62 -4.82 114.94 121.43 3gd3 s ASN 402 Ca 0.83 -0.25 0.16 0.00 -1.02 0.00 0.00 52.86 52.58 3gd3 s ASN 402 Cb -0.61 -2.56 0.43 0.00 0.02 0.00 0.00 41.25 38.53 3gd3 s ASN 402 CO 0.41 -1.71 1.20 1.33 0.02 0.00 0.00 177.10 178.34 3gd3 n VAL 403 N 6.48 1.45 0.28 1.60 0.24 -1.26 -4.78 118.33 122.35 3gd3 n VAL 403 Ca 0.05 -2.53 0.13 0.00 -2.04 0.00 0.00 64.34 59.95 3gd3 n VAL 403 Cb 0.49 0.18 0.85 0.00 -1.47 0.00 0.00 33.84 33.89 3gd3 n VAL 403 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3gd3 h GLU 404 N 1.11 0.00 0.00 7.34 5.08 -1.99 -2.34 114.58 123.79 3gd3 h GLU 404 Ca -0.06 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.27 3gd3 h GLU 404 Cb 1.34 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.59 3gd3 h GLU 404 CO 0.08 0.00 -0.13 -0.07 -1.00 0.00 0.00 179.01 177.89 3gd3 h LEU 405 N 0.00 0.00 0.00 1.33 3.38 -1.91 -3.34 115.31 114.76 3gd3 h LEU 405 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gd3 h LEU 405 Cb 0.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.77 3gd3 h LEU 405 CO -0.00 0.13 0.00 0.00 0.09 0.00 0.00 178.44 178.66 3gd3 n ALA 406 N -2.21 -0.09 -0.20 1.53 0.00 -0.88 -2.56 120.51 116.11 3gd3 n ALA 406 Ca -0.01 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.38 3gd3 n ALA 406 Cb 0.31 0.17 -0.05 0.00 0.00 0.00 0.00 19.45 19.88 3gd3 n ALA 406 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 3gd3 n LYS 407 N -1.34 -0.21 -0.29 0.00 5.02 -1.25 0.99 118.16 121.07 3gd3 n LYS 407 Ca 0.00 0.88 -0.06 0.00 -2.02 0.00 0.00 58.31 57.12 3gd3 n LYS 407 Cb 0.00 -1.31 0.07 0.00 -0.02 0.00 0.00 35.03 33.77 3gd3 n LYS 407 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 3gd3 h THR 408 N 0.00 1.26 -0.08 -0.18 1.35 -1.79 -3.03 112.91 110.44 3gd3 h THR 408 Ca 0.08 -0.79 -0.10 0.00 -0.55 0.00 0.00 66.41 65.05 3gd3 h THR 408 Cb 0.19 0.29 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 3gd3 h THR 408 CO -0.45 0.33 -0.34 1.23 -0.25 0.00 0.00 175.52 176.04 3gd3 h GLY 409 N 1.15 0.41 0.00 5.82 0.00 -0.50 -3.45 103.07 106.50 3gd3 h GLY 409 Ca 0.27 -0.56 0.00 0.00 0.00 0.00 0.00 47.33 47.04 3gd3 h GLY 409 CO -0.03 0.50 0.00 0.61 0.00 0.00 0.00 176.54 177.62 3gd3 n GLY 410 N 0.68 1.52 3.79 4.60 0.00 0.28 -4.54 105.19 111.52 3gd3 n GLY 410 Ca -0.08 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.58 3gd3 n GLY 410 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3gd3 s LEU 411 N 0.00 4.15 -0.11 0.99 1.43 -1.13 -4.99 118.68 119.02 3gd3 s LEU 411 Ca 0.00 1.84 -0.30 0.00 -1.03 0.00 0.00 54.13 54.64 3gd3 s LEU 411 Cb 0.00 -4.24 -0.02 0.00 0.03 0.00 0.00 46.19 41.97 3gd3 s LEU 411 CO 0.00 -0.28 1.16 -0.70 0.23 0.00 0.00 176.35 176.77 3gd3 s GLU 412 N -2.54 4.32 0.28 1.70 2.12 -1.26 -4.66 118.70 118.66 3gd3 s GLU 412 Ca 0.56 1.58 -0.11 0.00 0.36 0.00 0.00 54.97 57.37 3gd3 s GLU 412 Cb -0.16 -3.62 -0.07 0.00 0.26 0.00 0.00 34.13 30.54 3gd3 s GLU 412 CO 0.21 -0.51 0.62 0.42 -0.54 0.00 0.00 175.26 175.46 3gd3 s ILE 413 N 2.62 4.86 -0.54 -3.70 1.01 -1.26 -0.41 121.20 123.77 3gd3 s ILE 413 Ca 0.53 0.57 -0.14 0.00 0.00 0.00 0.00 60.65 61.61 3gd3 s ILE 413 Cb -0.22 -3.64 0.13 0.00 0.01 0.00 0.00 42.46 38.75 3gd3 s ILE 413 CO 0.17 -0.17 0.48 -0.62 0.00 0.00 0.00 174.94 174.80 3gd3 s ASP 414 N -2.49 6.08 0.00 3.58 -1.08 0.16 -4.68 116.67 118.24 3gd3 s ASP 414 Ca 0.49 -1.91 0.00 0.00 -0.52 0.00 0.00 52.55 50.61 3gd3 s ASP 414 Cb -0.11 -2.15 0.00 0.00 -1.46 0.00 0.00 42.92 39.20 3gd3 s ASP 414 CO 0.22 -0.78 0.39 -1.54 0.52 0.00 0.00 175.17 173.98 3gd3 n SER 415 N 5.03 0.97 0.00 -0.34 3.41 -1.26 -1.42 113.62 120.01 3gd3 n SER 415 Ca -0.10 -1.21 0.00 0.00 -0.26 0.00 0.00 58.87 57.30 3gd3 n SER 415 Cb 0.41 -0.30 0.00 0.00 -0.26 0.00 0.00 64.21 64.05 3gd3 n SER 415 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3gd3 n ASP 416 N 0.35 0.00 0.00 4.04 10.43 -1.26 -4.85 116.55 125.26 3gd3 n ASP 416 Ca 0.00 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.36 3gd3 n ASP 416 Cb 0.20 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.16 3gd3 n ASP 416 CO 0.00 0.00 0.00 0.49 -1.07 0.00 0.00 177.20 176.62 3gd3 n PHE 417 N 0.00 0.00 0.00 1.24 3.01 -1.25 -4.91 117.46 115.55 3gd3 n PHE 417 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3gd3 n PHE 417 Cb 0.00 -0.24 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 3gd3 n PHE 417 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3gd3 n GLY 418 N -1.20 -0.72 1.00 1.37 0.00 -0.50 -4.88 105.19 100.25 3gd3 n GLY 418 Ca 0.00 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.31 3gd3 n GLY 418 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gd3 n GLY 419 N -0.78 -2.42 3.72 -0.02 0.00 -1.26 -4.42 105.19 100.01 3gd3 n GLY 419 Ca 0.00 -1.58 -0.41 0.00 0.00 0.00 0.00 46.02 44.02 3gd3 n GLY 419 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3gd3 s PHE 420 N -0.84 3.66 0.04 1.61 0.40 -0.04 -0.66 117.98 122.15 3gd3 s PHE 420 Ca 0.00 1.65 -0.31 0.00 -0.60 0.00 0.00 56.93 57.68 3gd3 s PHE 420 Cb 0.00 -3.18 -0.07 0.00 0.51 0.00 0.00 43.02 40.28 3gd3 s PHE 420 CO 0.00 -0.25 1.52 1.03 0.70 0.00 0.00 175.22 178.21 3gd3 s ARG 421 N 0.40 4.25 0.12 0.44 0.52 0.45 -0.85 118.95 124.27 3gd3 s ARG 421 Ca 0.51 2.15 0.04 0.00 -0.52 0.00 0.00 55.73 57.91 3gd3 s ARG 421 Cb -0.25 -3.55 -0.04 0.00 0.52 0.00 0.00 34.95 31.63 3gd3 s ARG 421 CO 0.30 -0.64 -0.11 0.14 0.02 0.00 0.00 175.30 175.02 3gd3 s VAL 422 N 2.38 1.07 0.95 3.52 -7.23 -0.63 -4.65 120.40 115.81 3gd3 s VAL 422 Ca 0.68 -1.82 -0.16 0.00 -1.81 0.00 0.00 61.98 58.88 3gd3 s VAL 422 Cb -0.36 -1.58 0.23 0.00 0.56 0.00 0.00 36.38 35.24 3gd3 s VAL 422 CO 0.29 -0.62 0.92 -0.46 -0.31 0.00 0.00 175.10 174.92 3gd3 n ASN 423 N 0.25 -1.50 0.00 4.85 2.04 -0.73 -3.01 115.26 117.16 3gd3 n ASN 423 Ca -0.14 -1.11 0.08 0.00 -0.44 0.00 0.00 54.58 52.98 3gd3 n ASN 423 Cb 0.59 -0.81 0.40 0.00 -2.53 0.00 0.00 39.78 37.43 3gd3 n ASN 423 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 3gd3 n ALA 424 N -4.35 1.86 -0.63 -2.53 0.00 -1.26 -1.23 120.51 112.38 3gd3 n ALA 424 Ca -0.17 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.30 3gd3 n ALA 424 Cb 0.47 -1.28 0.35 0.00 0.00 0.00 0.00 19.45 19.00 3gd3 n ALA 424 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3gd3 n GLU 425 N -1.40 3.74 -1.00 0.00 1.02 -1.26 -0.27 120.64 121.47 3gd3 n GLU 425 Ca 0.06 -2.89 0.00 0.00 -0.02 0.00 0.00 57.16 54.31 3gd3 n GLU 425 Cb 0.17 -1.89 0.00 0.00 -0.02 0.00 0.00 31.44 29.70 3gd3 n GLU 425 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3gd3 n LEU 426 N 1.07 0.72 -4.73 -4.62 4.77 -0.36 -4.88 117.00 108.97 3gd3 n LEU 426 Ca 0.26 0.00 -0.39 0.00 -0.03 0.00 0.00 56.01 55.85 3gd3 n LEU 426 Cb 0.89 -1.92 -0.06 0.00 -2.33 0.00 0.00 43.42 40.00 3gd3 n LEU 426 CO 0.24 -0.71 0.25 -1.58 -1.33 0.00 0.00 177.39 174.25 3gd3 s GLN 427 N -1.43 4.36 0.00 3.23 0.74 -1.26 -1.10 119.66 124.21 3gd3 s GLN 427 Ca 0.00 0.61 0.00 0.00 0.05 0.00 0.00 55.36 56.02 3gd3 s GLN 427 Cb 0.00 -3.42 0.00 0.00 1.10 0.00 0.00 33.01 30.69 3gd3 s GLN 427 CO 0.00 0.17 0.00 0.00 -0.55 0.00 0.00 175.29 174.91 3gd3 n ALA 428 N 3.55 0.00 -3.17 1.58 0.00 0.22 -1.78 120.51 120.91 3gd3 n ALA 428 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.27 3gd3 n ALA 428 Cb 0.51 0.00 0.02 0.00 0.00 0.00 0.00 19.45 19.99 3gd3 n ALA 428 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3gd3 n ARG 429 N -0.69 0.90 -1.78 0.00 1.74 -1.21 -4.87 116.66 110.74 3gd3 n ARG 429 Ca 0.00 -1.41 -0.42 0.00 -0.77 0.00 0.00 57.85 55.25 3gd3 n ARG 429 Cb 0.00 -0.04 -0.03 0.00 -1.02 0.00 0.00 32.46 31.37 3gd3 n ARG 429 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 3gd3 s SER 430 N -2.55 6.49 0.00 0.55 0.01 -1.26 -2.49 113.70 114.45 3gd3 s SER 430 Ca 0.24 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.14 3gd3 s SER 430 Cb -0.02 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.65 3gd3 s SER 430 CO 0.15 -0.98 0.00 0.59 0.41 0.00 0.00 173.24 173.41 3gd3 n ASN 431 N 6.05 0.00 -4.33 2.44 3.02 -1.26 -5.00 115.26 116.18 3gd3 n ASN 431 Ca 0.18 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.36 3gd3 n ASN 431 Cb 0.39 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.44 3gd3 n ASN 431 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3gd3 s ILE 432 N -2.46 3.80 0.33 2.41 -1.09 -1.04 0.02 121.20 123.18 3gd3 s ILE 432 Ca 0.00 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 57.81 3gd3 s ILE 432 Cb 0.00 -2.93 -0.05 0.00 -1.58 0.00 0.00 42.46 37.89 3gd3 s ILE 432 CO 0.00 0.13 -0.00 0.26 -1.23 0.00 0.00 174.94 174.10 3gd3 s TRP 433 N 1.48 2.55 -0.09 3.97 0.51 -0.61 -0.61 118.94 126.13 3gd3 s TRP 433 Ca 0.03 -0.41 -0.05 0.00 -2.12 0.00 0.00 56.10 53.54 3gd3 s TRP 433 Cb -0.17 -1.44 0.04 0.00 -0.81 0.00 0.00 33.47 31.10 3gd3 s TRP 433 CO 0.01 0.50 0.22 0.08 -0.51 0.00 0.00 176.95 177.25 3gd3 s VAL 434 N -2.50 -0.04 0.00 4.03 1.01 -0.26 -0.32 120.40 122.32 3gd3 s VAL 434 Ca 0.34 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.38 3gd3 s VAL 434 Cb -0.01 -0.34 0.01 0.00 0.00 0.00 0.00 36.38 36.03 3gd3 s VAL 434 CO 0.19 0.06 0.18 0.00 0.00 0.00 0.00 175.10 175.53 3gd3 s ALA 435 N 1.18 -0.43 0.00 5.51 0.00 -1.06 -4.80 121.76 122.16 3gd3 s ALA 435 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 51.96 51.83 3gd3 s ALA 435 Cb -0.10 0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.13 3gd3 s ALA 435 CO -0.07 -0.23 0.00 0.41 0.00 0.00 0.00 175.76 175.87 3gd3 n GLY 436 N 1.36 -1.84 0.40 0.00 0.00 -1.26 -4.43 105.19 99.41 3gd3 n GLY 436 Ca -0.22 -1.94 0.22 0.00 0.00 0.00 0.00 46.02 44.07 3gd3 n GLY 436 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3gd3 h ASP 437 N 0.00 0.00 0.52 1.61 3.45 -1.91 -0.73 116.42 119.37 3gd3 h ASP 437 Ca 0.00 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.46 3gd3 h ASP 437 Cb 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 38.77 3gd3 h ASP 437 CO 0.00 0.00 0.00 0.00 -1.57 0.00 0.00 179.24 177.67 3gd3 n ALA 438 N -2.51 2.48 -2.88 3.45 0.00 -1.26 -4.71 120.51 115.09 3gd3 n ALA 438 Ca 0.10 -0.15 -0.44 0.00 0.00 0.00 0.00 53.44 52.96 3gd3 n ALA 438 Cb 0.66 -1.49 -0.08 0.00 0.00 0.00 0.00 19.45 18.54 3gd3 n ALA 438 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gd3 s ALA 439 N -2.53 3.51 -0.83 0.00 0.00 -0.28 -0.86 121.76 120.76 3gd3 s ALA 439 Ca 0.30 -2.06 -0.22 0.00 0.00 0.00 0.00 51.96 49.97 3gd3 s ALA 439 Cb 0.20 -2.98 0.08 0.00 0.00 0.00 0.00 23.12 20.41 3gd3 s ALA 439 CO 0.45 -1.68 1.18 0.00 0.00 0.00 0.00 175.76 175.71 3gd3 s PHE 441 N 4.18 3.16 -0.60 0.00 -0.71 0.69 -1.61 117.98 123.09 3gd3 s PHE 441 Ca 0.33 -0.14 -0.17 0.00 -1.04 0.00 0.00 56.93 55.90 3gd3 s PHE 441 Cb -0.08 -1.61 0.13 0.00 -1.21 0.00 0.00 43.02 40.25 3gd3 s PHE 441 CO 0.01 0.36 0.63 -0.47 -1.34 0.00 0.00 175.22 174.41 3gd3 s TYR 442 N -2.14 3.18 0.67 3.49 6.14 -1.16 -0.88 117.35 126.64 3gd3 s TYR 442 Ca 0.36 -1.21 -0.16 0.00 0.64 0.00 0.00 57.07 56.70 3gd3 s TYR 442 Cb -0.08 -3.91 0.01 0.00 0.42 0.00 0.00 41.96 38.39 3gd3 s TYR 442 CO 0.27 -1.16 1.19 0.34 0.64 0.00 0.00 175.55 176.84 3gd3 s ASP 443 N 3.49 4.70 0.02 4.32 2.15 -1.21 -4.04 116.67 126.10 3gd3 s ASP 443 Ca 0.09 2.30 0.18 0.00 0.43 0.00 0.00 52.55 55.55 3gd3 s ASP 443 Cb -0.25 -2.59 -0.17 0.00 -0.30 0.00 0.00 42.92 39.61 3gd3 s ASP 443 CO 0.03 -1.92 0.68 0.00 -0.17 0.00 0.00 175.17 173.79 3gd3 n ILE 444 N -2.28 1.01 -0.02 4.11 0.13 -1.26 -4.59 119.36 116.46 3gd3 n ILE 444 Ca 0.13 -0.68 -0.01 0.00 -1.10 0.00 0.00 62.75 61.09 3gd3 n ILE 444 Cb 0.50 -0.57 -0.00 0.00 -0.84 0.00 0.00 39.64 38.73 3gd3 n ILE 444 CO 0.00 0.00 0.00 0.50 2.80 0.00 0.00 176.55 179.85 3gd3 h LYS 445 N 0.00 0.00 0.00 9.51 3.11 -1.93 -3.48 116.57 123.78 3gd3 h LYS 445 Ca -0.19 0.00 -0.39 0.00 -2.81 0.00 0.00 60.65 57.26 3gd3 h LYS 445 Cb 1.56 0.00 0.19 0.00 -1.00 0.00 0.00 32.23 32.98 3gd3 h LYS 445 CO 0.03 0.00 0.19 -0.11 -2.81 0.00 0.00 179.45 176.76 3gd3 n LEU 446 N -3.02 0.00 0.00 5.20 0.00 -1.26 -5.08 117.00 112.83 3gd3 n LEU 446 Ca -0.02 -1.21 0.00 0.00 0.00 0.00 0.00 56.01 54.78 3gd3 n LEU 446 Cb 0.08 -0.98 0.00 0.00 0.00 0.00 0.00 43.42 42.51 3gd3 n LEU 446 CO 0.03 -1.94 0.00 0.61 0.00 0.00 0.00 177.39 176.09 3gd3 n GLY 447 N -4.26 -1.99 3.73 -3.96 0.00 -1.26 -4.57 105.19 92.88 3gd3 n GLY 447 Ca 0.15 -1.49 -0.41 0.00 0.00 0.00 0.00 46.02 44.27 3gd3 n GLY 447 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3gd3 s ARG 448 N -1.96 4.48 0.34 1.61 3.52 -1.26 -3.35 118.95 122.32 3gd3 s ARG 448 Ca 0.00 1.86 -0.06 0.00 -0.13 0.00 0.00 55.73 57.40 3gd3 s ARG 448 Cb 0.00 -3.26 0.02 0.00 -1.56 0.00 0.00 34.95 30.15 3gd3 s ARG 448 CO 0.00 -0.13 0.55 2.89 -0.81 0.00 0.00 175.30 177.80 3gd3 n ARG 449 N 2.81 0.78 -3.68 5.12 1.85 -0.06 -4.97 116.66 118.51 3gd3 n ARG 449 Ca 0.05 -2.38 -0.11 0.00 -1.00 0.00 0.00 57.85 54.42 3gd3 n ARG 449 Cb 0.45 2.50 -0.09 0.00 -1.05 0.00 0.00 32.46 34.26 3gd3 n ARG 449 CO 0.00 0.00 0.00 0.50 -0.01 0.00 0.00 177.63 178.12 3gd3 s ARG 450 N -2.50 0.55 -0.05 2.89 3.52 -1.26 -0.22 118.95 121.87 3gd3 s ARG 450 Ca 0.22 0.87 -0.03 0.00 -0.13 0.00 0.00 55.73 56.66 3gd3 s ARG 450 Cb -0.02 0.13 0.02 0.00 -1.56 0.00 0.00 34.95 33.52 3gd3 s ARG 450 CO 0.16 -0.12 0.11 0.14 -0.81 0.00 0.00 175.30 174.78 3gd3 s VAL 451 N 1.04 -0.02 -0.73 7.11 -7.23 -1.26 -5.07 120.40 114.23 3gd3 s VAL 451 Ca -0.06 0.07 -0.22 0.00 -1.81 0.00 0.00 61.98 59.96 3gd3 s VAL 451 Cb -0.06 -0.17 0.08 0.00 0.56 0.00 0.00 36.38 36.79 3gd3 s VAL 451 CO -0.09 0.03 1.03 -1.83 -0.31 0.00 0.00 175.10 173.92 3gd3 s GLU 452 N 0.47 3.23 -0.04 4.82 1.03 -1.26 -4.10 118.70 122.85 3gd3 s GLU 452 Ca -0.03 -1.02 -0.01 0.00 0.03 0.00 0.00 54.97 53.93 3gd3 s GLU 452 Cb -0.05 -4.42 0.03 0.00 -0.80 0.00 0.00 34.13 28.90 3gd3 s GLU 452 CO -0.02 -1.83 0.09 -1.01 -1.33 0.00 0.00 175.26 171.15 3gd3 s HIS 453 N 3.86 -0.06 0.17 4.83 3.76 -1.26 -5.02 115.29 121.57 3gd3 s HIS 453 Ca 0.26 0.31 -0.22 0.00 -0.15 0.00 0.00 55.06 55.25 3gd3 s HIS 453 Cb -0.13 -0.18 0.08 0.00 1.11 0.00 0.00 32.58 33.46 3gd3 s HIS 453 CO 0.05 -0.13 1.59 1.25 -0.85 0.00 0.00 174.74 176.65 3gd3 h HIS 454 N 7.34 -0.97 -0.29 1.40 2.76 -1.94 -0.43 115.15 123.03 3gd3 h HIS 454 Ca -0.43 0.07 0.05 0.00 -2.20 0.00 0.00 60.37 57.86 3gd3 h HIS 454 Cb 1.13 0.50 -0.08 0.00 1.55 0.00 0.00 27.41 30.51 3gd3 h HIS 454 CO 0.47 -0.39 -0.52 0.22 -1.30 0.00 0.00 177.93 176.41 3gd3 h ASP 455 N -0.21 -1.70 -0.15 3.26 3.58 -1.96 0.12 116.42 119.35 3gd3 h ASP 455 Ca 0.20 0.22 -0.02 0.00 0.42 0.00 0.00 57.03 57.85 3gd3 h ASP 455 Cb 0.55 0.69 -0.01 0.00 1.72 0.00 0.00 39.33 42.28 3gd3 h ASP 455 CO -0.62 -0.43 0.05 -0.74 -2.88 0.00 0.00 179.24 174.63 3gd3 h HIS 456 N -0.46 0.30 -0.17 0.28 2.76 -1.77 -0.63 115.15 115.46 3gd3 h HIS 456 Ca 0.07 -0.01 -0.10 0.00 -2.20 0.00 0.00 60.37 58.13 3gd3 h HIS 456 Cb 0.63 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.49 3gd3 h HIS 456 CO -0.64 0.28 -0.29 0.00 -1.30 0.00 0.00 177.93 175.97 3gd3 h ALA 457 N 1.76 0.26 -0.01 5.26 0.00 -0.25 0.25 119.26 126.52 3gd3 h ALA 457 Ca 0.08 -0.41 0.02 0.00 0.00 0.00 0.00 54.91 54.60 3gd3 h ALA 457 Cb 0.13 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3gd3 h ALA 457 CO -0.00 0.28 -0.12 0.28 0.00 0.00 0.00 179.25 179.69 3gd3 h VAL 458 N 0.14 0.70 0.01 0.00 2.07 -0.54 -2.12 116.25 116.51 3gd3 h VAL 458 Ca 0.01 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 3gd3 h VAL 458 Cb 0.88 0.70 0.00 0.00 -1.52 0.00 0.00 31.29 31.35 3gd3 h VAL 458 CO 0.07 0.00 -0.00 0.58 0.02 0.00 0.00 177.57 178.23 3gd3 h VAL 459 N -0.20 1.56 0.00 2.57 2.07 -1.11 -1.34 116.25 119.80 3gd3 h VAL 459 Ca 0.05 -1.78 -0.03 0.00 0.82 0.00 0.00 66.70 65.76 3gd3 h VAL 459 Cb 0.25 2.76 -0.00 0.00 -1.52 0.00 0.00 31.29 32.78 3gd3 h VAL 459 CO -0.12 0.46 -0.15 0.77 0.02 0.00 0.00 177.57 178.54 3gd3 h SER 460 N -0.78 0.00 0.00 0.57 4.64 -0.63 0.56 113.55 117.91 3gd3 h SER 460 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3gd3 h SER 460 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 3gd3 h SER 460 CO 0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 3gd3 n GLY 461 N -0.75 -2.58 0.32 -0.77 0.00 -0.80 -0.78 105.19 99.83 3gd3 n GLY 461 Ca -0.02 0.04 0.18 0.00 0.00 0.00 0.00 46.02 46.23 3gd3 n GLY 461 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3gd3 h ARG 462 N 0.00 0.14 -0.40 1.61 2.43 -0.73 0.26 114.38 117.69 3gd3 h ARG 462 Ca 0.00 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.11 3gd3 h ARG 462 Cb 0.00 -0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.50 3gd3 h ARG 462 CO 0.00 0.09 0.03 1.25 -1.51 0.00 0.00 179.97 179.83 3gd3 h LEU 463 N 0.14 0.59 -1.55 3.80 5.85 -0.81 -1.71 115.31 121.62 3gd3 h LEU 463 Ca 0.64 -0.11 -0.04 0.00 0.84 0.00 0.00 57.88 59.21 3gd3 h LEU 463 Cb 1.42 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 42.29 3gd3 h LEU 463 CO -0.73 0.64 -0.11 0.00 -0.34 0.00 0.00 178.44 177.90 3gd3 h ALA 464 N 1.43 1.63 0.09 1.25 0.00 0.16 -2.62 119.26 121.21 3gd3 h ALA 464 Ca 0.13 -0.16 -0.23 0.00 0.00 0.00 0.00 54.91 54.65 3gd3 h ALA 464 Cb 0.34 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.09 3gd3 h ALA 464 CO 0.01 0.27 -0.95 0.78 0.00 0.00 0.00 179.25 179.37 3gd3 h GLY 465 N 0.60 0.54 1.24 0.00 0.00 -0.98 -2.50 103.07 101.97 3gd3 h GLY 465 Ca 0.03 -1.12 0.07 0.00 0.00 0.00 0.00 47.33 46.31 3gd3 h GLY 465 CO 0.02 0.99 0.34 0.83 0.00 0.00 0.00 176.54 178.72 3gd3 h GLU 466 N -0.01 0.39 0.00 4.80 5.08 -1.23 -1.94 114.58 121.67 3gd3 h GLU 466 Ca -0.14 -0.02 -0.16 0.00 -1.00 0.00 0.00 59.36 58.03 3gd3 h GLU 466 Cb 1.67 -0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.81 3gd3 h GLU 466 CO 0.18 0.26 -1.09 -0.91 -1.00 0.00 0.00 179.01 176.45 3gd3 h ASN 467 N 0.40 0.00 0.91 1.42 -0.26 -1.46 -0.27 115.58 116.32 3gd3 h ASN 467 Ca 0.23 0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.88 3gd3 h ASN 467 Cb 0.37 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 37.62 3gd3 h ASN 467 CO -0.06 0.64 -0.40 0.24 -1.06 0.00 0.00 177.43 176.79 3gd3 h MET 468 N 0.00 0.00 -0.90 0.81 2.86 -0.90 -2.36 114.93 114.43 3gd3 h MET 468 Ca -0.10 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.94 3gd3 h MET 468 Cb 1.58 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 32.94 3gd3 h MET 468 CO 0.07 0.40 0.46 0.25 1.06 0.00 0.00 176.91 179.15 3gd3 n THR 469 N -3.51 3.29 0.00 2.22 -2.24 -0.88 -4.96 114.28 108.21 3gd3 n THR 469 Ca -0.00 -3.02 0.00 0.00 -2.27 0.00 0.00 64.05 58.76 3gd3 n THR 469 Cb 0.54 -1.00 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 3gd3 n THR 469 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gd3 n GLY 470 N -0.93 3.11 0.33 3.38 0.00 -0.89 -4.92 105.19 105.27 3gd3 n GLY 470 Ca 0.57 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.69 3gd3 n GLY 470 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gd3 h ALA 471 N 0.00 0.95 -5.05 4.61 0.00 -1.23 -3.47 119.26 115.08 3gd3 h ALA 471 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 54.91 55.12 3gd3 h ALA 471 Cb 0.00 0.57 0.09 0.00 0.00 0.00 0.00 17.79 18.45 3gd3 h ALA 471 CO 0.00 -0.49 -0.37 0.00 0.00 0.00 0.00 179.25 178.39 3gd3 n ALA 472 N -3.17 -2.27 -2.47 0.00 0.00 -1.26 -5.01 120.51 106.33 3gd3 n ALA 472 Ca 0.19 0.06 -0.30 0.00 0.00 0.00 0.00 53.44 53.39 3gd3 n ALA 472 Cb 0.62 -3.16 -0.12 0.00 0.00 0.00 0.00 19.45 16.79 3gd3 n ALA 472 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 3gd3 s LYS 473 N -3.59 1.95 0.45 0.00 1.02 -1.26 -5.11 119.74 113.19 3gd3 s LYS 473 Ca 0.20 -1.07 -0.20 0.00 0.02 0.00 0.00 55.97 54.91 3gd3 s LYS 473 Cb -0.03 -2.16 -0.10 0.00 -0.52 0.00 0.00 37.83 35.02 3gd3 s LYS 473 CO 0.63 0.51 0.97 -2.14 -0.92 0.00 0.00 175.35 174.41 3gd3 s PRO 474 N -1.76 4.12 -0.37 -1.68 0.02 -1.26 -4.40 135.00 129.66 3gd3 s PRO 474 Ca 0.16 1.15 -0.29 0.00 0.02 0.00 0.00 61.00 62.05 3gd3 s PRO 474 Cb -0.11 -2.16 0.00 0.00 0.02 0.00 0.00 34.50 32.26 3gd3 s PRO 474 CO 0.08 -0.13 1.47 -0.47 -0.33 0.00 0.00 177.00 177.61 3gd3 s TYR 475 N -2.18 2.33 -0.44 6.54 5.04 0.63 -4.92 117.35 124.35 3gd3 s TYR 475 Ca 0.63 0.68 0.06 0.00 -2.44 0.00 0.00 57.07 56.00 3gd3 s TYR 475 Cb -0.11 -4.20 0.21 0.00 0.35 0.00 0.00 41.96 38.22 3gd3 s TYR 475 CO 0.16 -2.16 0.46 1.87 -1.34 0.00 0.00 175.55 174.53 3gd3 n TRP 476 N 8.82 -0.02 -3.64 4.97 -0.00 -1.26 -4.57 117.44 121.73 3gd3 n TRP 476 Ca 0.17 -3.56 -0.11 0.00 -0.00 0.00 0.00 57.50 54.01 3gd3 n TRP 476 Cb 0.47 -0.12 -0.07 0.00 -0.00 0.00 0.00 31.31 31.59 3gd3 n TRP 476 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 177.69 176.11 3gd3 s HIS 477 N -0.77 -0.89 -0.49 5.87 2.46 -1.26 -5.11 115.29 115.10 3gd3 s HIS 477 Ca 0.34 1.95 -0.16 0.00 0.47 0.00 0.00 55.06 57.66 3gd3 s HIS 477 Cb 0.10 0.43 0.08 0.00 -0.13 0.00 0.00 32.58 33.06 3gd3 s HIS 477 CO -0.15 -0.44 0.44 -0.65 -2.47 0.00 0.00 174.74 171.48 3gd3 s GLN 478 N 0.98 2.99 0.30 2.88 -0.21 -1.26 -5.05 119.66 120.30 3gd3 s GLN 478 Ca -0.05 -1.38 -0.29 0.00 0.02 0.00 0.00 55.36 53.66 3gd3 s GLN 478 Cb -0.05 -4.16 -0.09 0.00 1.00 0.00 0.00 33.01 29.70 3gd3 s GLN 478 CO -0.09 -1.11 1.09 0.45 -2.12 0.00 0.00 175.29 173.50 3gd3 s SER 479 N 2.82 7.19 0.04 5.90 0.15 -1.26 -4.97 113.70 123.57 3gd3 s SER 479 Ca 0.05 2.22 0.01 0.00 0.70 0.00 0.00 55.95 58.94 3gd3 s SER 479 Cb -0.25 -2.62 -0.04 0.00 -1.71 0.00 0.00 66.02 61.40 3gd3 s SER 479 CO 0.06 -0.19 0.10 0.00 1.20 0.00 0.00 173.24 174.41 3gd3 s MET 480 N -1.61 3.03 0.28 5.44 0.23 -1.26 -4.25 119.30 121.16 3gd3 s MET 480 Ca 0.47 -0.58 0.09 0.00 -1.03 0.00 0.00 55.69 54.64 3gd3 s MET 480 Cb -0.30 -2.82 -0.04 0.00 -1.53 0.00 0.00 34.83 30.13 3gd3 s MET 480 CO 0.39 0.60 0.05 0.12 -2.03 0.00 0.00 175.02 174.15 3gd3 s PHE 481 N -1.33 2.74 0.03 3.16 5.36 0.55 -4.31 117.98 124.18 3gd3 s PHE 481 Ca 0.28 -0.25 -0.26 0.00 -0.96 0.00 0.00 56.93 55.74 3gd3 s PHE 481 Cb -0.12 -1.31 0.06 0.00 -0.34 0.00 0.00 43.02 41.31 3gd3 s PHE 481 CO 0.20 0.55 0.61 1.67 -1.46 0.00 0.00 175.22 176.79 3gd3 s TRP 482 N -2.33 -0.56 0.01 10.12 -2.14 -1.26 -0.61 118.94 122.17 3gd3 s TRP 482 Ca 0.33 0.74 -0.03 0.00 2.66 0.00 0.00 56.10 59.80 3gd3 s TRP 482 Cb -0.06 0.43 -0.01 0.00 -3.10 0.00 0.00 33.47 30.73 3gd3 s TRP 482 CO 0.21 -0.68 0.05 0.45 -2.66 0.00 0.00 176.95 174.32 3gd3 s SER 483 N -1.79 0.13 -0.05 -2.66 0.15 -0.86 -5.01 113.70 103.61 3gd3 s SER 483 Ca -0.07 -0.33 0.06 0.00 0.70 0.00 0.00 55.95 56.32 3gd3 s SER 483 Cb -0.01 0.15 -0.01 0.00 -1.71 0.00 0.00 66.02 64.44 3gd3 s SER 483 CO 0.01 -0.31 -0.24 -1.81 1.20 0.00 0.00 173.24 172.09 3gd3 s ASP 484 N -1.30 2.93 -0.44 5.45 1.01 -1.26 -1.61 116.67 121.44 3gd3 s ASP 484 Ca -0.14 -0.48 -0.02 0.00 0.71 0.00 0.00 52.55 52.61 3gd3 s ASP 484 Cb -0.08 -0.74 0.12 0.00 1.01 0.00 0.00 42.92 43.23 3gd3 s ASP 484 CO 0.00 0.24 0.23 -0.76 0.21 0.00 0.00 175.17 175.10 3gd3 s LEU 485 N -0.20 5.19 0.15 1.23 1.43 0.54 -4.83 118.68 122.19 3gd3 s LEU 485 Ca -0.02 -2.21 0.00 0.00 -1.03 0.00 0.00 54.13 50.87 3gd3 s LEU 485 Cb -0.13 -1.81 0.00 0.00 0.03 0.00 0.00 46.19 44.28 3gd3 s LEU 485 CO 0.03 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.72 3gd3 n GLY 486 N 4.34 -2.00 0.00 -3.19 0.00 -1.26 -2.93 105.19 100.14 3gd3 n GLY 486 Ca 0.00 -1.38 0.09 0.00 0.00 0.00 0.00 46.02 44.73 3gd3 n GLY 486 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3gd3 n PRO 487 N -2.84 0.32 -0.01 1.61 -0.04 -1.26 -3.60 135.00 129.18 3gd3 n PRO 487 Ca -0.01 0.10 -0.05 0.00 -0.04 0.00 0.00 63.50 63.50 3gd3 n PRO 487 Cb 0.22 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.06 3gd3 n PRO 487 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3gd3 n ASP 488 N -1.23 0.75 -3.82 3.54 9.92 -1.26 -2.39 116.55 122.05 3gd3 n ASP 488 Ca 0.09 0.34 -0.20 0.00 -0.53 0.00 0.00 54.79 54.50 3gd3 n ASP 488 Cb 0.12 0.19 -0.17 0.00 -0.64 0.00 0.00 41.12 40.63 3gd3 n ASP 488 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gd3 s VAL 489 N -2.73 0.33 -0.01 2.53 1.01 -1.15 -4.56 120.40 115.82 3gd3 s VAL 489 Ca -0.05 0.04 -0.04 0.00 0.00 0.00 0.00 61.98 61.94 3gd3 s VAL 489 Cb 0.08 -0.42 -0.00 0.00 0.00 0.00 0.00 36.38 36.04 3gd3 s VAL 489 CO 0.82 0.20 0.08 -0.83 0.00 0.00 0.00 175.10 175.37 3gd3 s GLY 490 N 1.27 0.04 0.05 4.51 0.00 -1.26 -0.34 107.32 111.59 3gd3 s GLY 490 Ca -0.06 -0.08 0.08 0.00 0.00 0.00 0.00 44.72 44.67 3gd3 s GLY 490 CO -0.02 -0.15 -0.24 -0.19 0.00 0.00 0.00 173.10 172.50 3gd3 s TYR 491 N -0.78 2.07 -0.05 1.90 1.51 -0.64 -1.86 117.35 119.50 3gd3 s TYR 491 Ca -0.09 -0.39 0.03 0.00 -1.01 0.00 0.00 57.07 55.61 3gd3 s TYR 491 Cb -0.05 -1.22 0.00 0.00 -0.11 0.00 0.00 41.96 40.58 3gd3 s TYR 491 CO 0.00 0.13 -0.15 -1.21 -1.11 0.00 0.00 175.55 173.21 3gd3 s GLU 492 N -1.29 1.74 0.12 -0.62 2.02 -0.45 -2.03 118.70 118.19 3gd3 s GLU 492 Ca 0.10 -0.52 0.07 0.00 0.02 0.00 0.00 54.97 54.63 3gd3 s GLU 492 Cb -0.09 -1.47 -0.04 0.00 0.10 0.00 0.00 34.13 32.63 3gd3 s GLU 492 CO 0.02 0.15 -0.17 0.00 0.02 0.00 0.00 175.26 175.28 3gd3 s ALA 493 N 0.29 1.65 -0.19 5.21 0.00 0.22 0.11 121.76 129.04 3gd3 s ALA 493 Ca -0.08 -1.28 -0.15 0.00 0.00 0.00 0.00 51.96 50.45 3gd3 s ALA 493 Cb -0.13 -0.15 0.06 0.00 0.00 0.00 0.00 23.12 22.89 3gd3 s ALA 493 CO 0.03 0.22 0.50 -1.50 0.00 0.00 0.00 175.76 175.01 3gd3 s ILE 494 N -1.70 -0.01 0.00 0.00 -1.16 -0.59 -0.33 121.20 117.42 3gd3 s ILE 494 Ca 0.08 0.02 0.00 0.00 -0.51 0.00 0.00 60.65 60.24 3gd3 s ILE 494 Cb -0.07 -0.71 0.00 0.00 0.61 0.00 0.00 42.46 42.28 3gd3 s ILE 494 CO 0.04 0.01 0.00 0.61 -2.81 0.00 0.00 174.94 172.79 3gd3 n GLY 495 N 3.35 -0.47 3.65 1.50 0.00 -1.26 -1.33 105.19 110.63 3gd3 n GLY 495 Ca -0.17 -1.10 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 3gd3 n GLY 495 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3gd3 s LEU 496 N 0.00 4.07 -0.24 0.99 2.96 -0.94 -4.88 118.68 120.64 3gd3 s LEU 496 Ca 0.00 1.18 -0.02 0.00 -0.22 0.00 0.00 54.13 55.06 3gd3 s LEU 496 Cb 0.00 -3.39 0.08 0.00 0.50 0.00 0.00 46.19 43.37 3gd3 s LEU 496 CO 0.00 -0.64 0.07 0.68 -1.32 0.00 0.00 176.35 175.14 3gd3 s VAL 497 N 3.12 0.52 -0.02 1.68 -7.23 -1.26 -2.93 120.40 114.28 3gd3 s VAL 497 Ca 0.40 -0.83 0.03 0.00 -1.81 0.00 0.00 61.98 59.77 3gd3 s VAL 497 Cb -0.15 -1.20 -0.00 0.00 0.56 0.00 0.00 36.38 35.59 3gd3 s VAL 497 CO 0.08 -0.43 -0.11 -0.62 -0.31 0.00 0.00 175.10 173.71 3gd3 s ASP 498 N 1.83 1.37 0.24 4.85 2.15 -1.26 -4.82 116.67 121.03 3gd3 s ASP 498 Ca 0.04 -0.21 0.12 0.00 0.43 0.00 0.00 52.55 52.93 3gd3 s ASP 498 Cb -0.17 -0.25 0.67 0.00 -0.30 0.00 0.00 42.92 42.87 3gd3 s ASP 498 CO -0.18 0.11 1.30 -1.54 -0.17 0.00 0.00 175.17 174.69 3gd3 n SER 499 N 3.01 0.32 -0.44 -0.34 3.41 -1.08 -1.73 113.62 116.76 3gd3 n SER 499 Ca -0.16 0.57 0.13 0.00 -0.26 0.00 0.00 58.87 59.15 3gd3 n SER 499 Cb 0.55 -0.56 0.28 0.00 -0.26 0.00 0.00 64.21 64.22 3gd3 n SER 499 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gd3 n SER 500 N -1.94 1.61 -4.80 4.04 3.41 -1.26 -4.87 113.62 109.82 3gd3 n SER 500 Ca -0.01 -1.31 -0.35 0.00 -0.26 0.00 0.00 58.87 56.94 3gd3 n SER 500 Cb 0.19 0.17 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3gd3 n SER 500 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3gd3 s LEU 501 N -2.33 4.18 0.01 1.04 1.43 -0.71 -4.98 118.68 117.33 3gd3 s LEU 501 Ca 0.26 1.76 -0.30 0.00 -1.03 0.00 0.00 54.13 54.83 3gd3 s LEU 501 Cb 0.19 -4.21 -0.08 0.00 0.03 0.00 0.00 46.19 42.13 3gd3 s LEU 501 CO 0.47 -0.18 1.81 -2.84 0.23 0.00 0.00 176.35 175.83 3gd3 s PRO 502 N -2.50 4.16 0.10 1.29 0.02 -1.26 -4.87 135.00 131.95 3gd3 s PRO 502 Ca 0.55 2.42 0.06 0.00 0.02 0.00 0.00 61.00 64.05 3gd3 s PRO 502 Cb -0.15 -3.99 -0.03 0.00 0.02 0.00 0.00 34.50 30.35 3gd3 s PRO 502 CO 0.19 -0.88 -0.16 -0.08 -0.33 0.00 0.00 177.00 175.74 3gd3 s THR 503 N 3.97 1.37 -0.06 0.99 -1.32 -1.26 -1.79 115.64 117.54 3gd3 s THR 503 Ca 0.81 -1.51 -0.01 0.00 -1.21 0.00 0.00 61.69 59.76 3gd3 s THR 503 Cb -0.39 -1.37 0.03 0.00 -1.51 0.00 0.00 72.50 69.26 3gd3 s THR 503 CO 0.36 -0.23 -0.00 -0.69 -2.21 0.00 0.00 174.62 171.84 3gd3 s VAL 504 N -1.51 0.37 -0.05 5.08 1.01 -0.46 -4.99 120.40 119.85 3gd3 s VAL 504 Ca 0.04 0.10 0.06 0.00 0.00 0.00 0.00 61.98 62.18 3gd3 s VAL 504 Cb -0.08 -0.51 -0.02 0.00 0.00 0.00 0.00 36.38 35.77 3gd3 s VAL 504 CO 0.03 0.25 -0.22 -0.83 0.00 0.00 0.00 175.10 174.33 3gd3 s GLY 505 N 1.79 1.35 -0.10 4.51 0.00 -1.26 -0.70 107.32 112.91 3gd3 s GLY 505 Ca 0.02 -1.05 0.02 0.00 0.00 0.00 0.00 44.72 43.71 3gd3 s GLY 505 CO -0.04 -0.73 -0.14 0.14 0.00 0.00 0.00 173.10 172.33 3gd3 s VAL 506 N -0.38 1.36 0.25 1.40 1.01 0.55 -4.97 120.40 119.63 3gd3 s VAL 506 Ca 0.03 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.51 3gd3 s VAL 506 Cb -0.12 -1.25 -0.05 0.00 0.00 0.00 0.00 36.38 34.96 3gd3 s VAL 506 CO 0.02 0.41 -0.08 -0.36 0.00 0.00 0.00 175.10 175.09 3gd3 s PHE 507 N 0.95 1.85 0.31 5.22 0.40 -1.26 -0.12 117.98 125.33 3gd3 s PHE 507 Ca -0.08 -0.68 -0.15 0.00 -0.60 0.00 0.00 56.93 55.42 3gd3 s PHE 507 Cb -0.15 -1.01 0.02 0.00 0.51 0.00 0.00 43.02 42.39 3gd3 s PHE 507 CO -0.00 0.27 0.64 0.00 0.70 0.00 0.00 175.22 176.83 3gd3 s ALA 508 N -3.04 -0.59 -0.03 5.36 0.00 0.34 -4.90 121.76 118.91 3gd3 s ALA 508 Ca 0.27 -0.73 -0.30 0.00 0.00 0.00 0.00 51.96 51.21 3gd3 s ALA 508 Cb 0.03 0.90 -0.05 0.00 0.00 0.00 0.00 23.12 24.00 3gd3 s ALA 508 CO 0.10 -0.95 1.42 0.15 0.00 0.00 0.00 175.76 176.49 3gd3 s LYS 509 N -3.41 4.26 0.39 0.00 1.02 -1.26 -1.22 119.74 119.52 3gd3 s LYS 509 Ca 0.18 1.96 -0.27 0.00 0.02 0.00 0.00 55.97 57.86 3gd3 s LYS 509 Cb -0.04 -3.66 -0.09 0.00 -0.52 0.00 0.00 37.83 33.52 3gd3 s LYS 509 CO 0.10 -0.64 1.35 0.00 -0.92 0.00 0.00 175.35 175.25 3gd3 s ALA 510 N 2.81 3.35 0.48 5.17 0.00 -1.26 -4.75 121.76 127.56 3gd3 s ALA 510 Ca 0.64 1.33 0.02 0.00 0.00 0.00 0.00 51.96 53.95 3gd3 s ALA 510 Cb -0.30 -3.52 0.01 0.00 0.00 0.00 0.00 23.12 19.31 3gd3 s ALA 510 CO 0.25 -0.89 0.69 -0.08 0.00 0.00 0.00 175.76 175.74 3gd3 s THR 511 N -1.21 3.35 0.21 0.00 -1.32 -1.26 -4.98 115.64 110.43 3gd3 s THR 511 Ca 0.55 -0.65 -0.13 0.00 -1.21 0.00 0.00 61.69 60.26 3gd3 s THR 511 Cb -0.41 -3.23 0.26 0.00 -1.51 0.00 0.00 72.50 67.62 3gd3 s THR 511 CO 0.53 -0.15 1.35 0.00 -2.21 0.00 0.00 174.62 174.14 3gd3 n ALA 512 N -2.14 -0.01 -0.01 11.08 0.00 -1.26 -1.71 120.51 126.45 3gd3 n ALA 512 Ca 0.05 0.89 0.06 0.00 0.00 0.00 0.00 53.44 54.44 3gd3 n ALA 512 Cb 0.59 -0.44 0.26 0.00 0.00 0.00 0.00 19.45 19.85 3gd3 n ALA 512 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 3gd3 n GLN 513 N -5.32 3.03 -2.33 0.00 6.02 -1.26 -4.62 117.38 112.91 3gd3 n GLN 513 Ca 0.10 -2.02 -0.41 0.00 -0.01 0.00 0.00 57.00 54.67 3gd3 n GLN 513 Cb 0.37 -1.75 0.01 0.00 1.02 0.00 0.00 30.24 29.89 3gd3 n GLN 513 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 3gd3 n ASP 514 N 0.67 7.67 -3.83 1.08 10.43 -0.69 -4.57 116.55 127.31 3gd3 n ASP 514 Ca 0.18 -3.42 -0.09 0.00 2.57 0.00 0.00 54.79 54.04 3gd3 n ASP 514 Cb 0.70 -1.27 -0.04 0.00 1.84 0.00 0.00 41.12 42.35 3gd3 n ASP 514 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 3gd3 s ASN 515 N -0.50 -0.21 0.40 -2.24 4.22 -1.26 -4.80 114.94 110.54 3gd3 s ASN 515 Ca 0.46 -0.62 0.17 0.00 -2.14 0.00 0.00 52.86 50.73 3gd3 s ASN 515 Cb 0.18 0.60 0.83 0.00 1.28 0.00 0.00 41.25 44.14 3gd3 s ASN 515 CO -0.11 -1.12 1.83 -0.65 -2.04 0.00 0.00 177.10 175.01 3gd3 h PRO 516 N 2.18 0.00 -0.57 3.55 0.11 -1.79 -3.14 132.00 132.34 3gd3 h PRO 516 Ca -0.26 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.82 3gd3 h PRO 516 Cb 1.26 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.34 3gd3 h PRO 516 CO 0.35 0.34 0.26 -0.22 -0.21 0.00 0.00 178.00 178.52 3gd3 h LYS 517 N 0.00 0.83 0.00 1.05 3.64 -1.83 -0.89 116.57 119.37 3gd3 h LYS 517 Ca -0.00 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.25 3gd3 h LYS 517 Cb 0.69 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 3gd3 h LYS 517 CO 0.04 0.69 0.00 0.43 -2.27 0.00 0.00 179.45 178.34 3gd3 n SER 518 N -4.53 0.00 -0.01 4.20 7.64 -1.19 -1.12 113.62 118.61 3gd3 n SER 518 Ca 0.03 -0.70 0.03 0.00 1.01 0.00 0.00 58.87 59.25 3gd3 n SER 518 Cb 0.13 -0.09 -0.08 0.00 -1.01 0.00 0.00 64.21 63.16 3gd3 n SER 518 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gd3 n ALA 519 N -1.09 2.25 -0.04 -0.43 0.00 -1.07 -3.12 120.51 117.01 3gd3 n ALA 519 Ca 0.20 -0.33 -0.13 0.00 0.00 0.00 0.00 53.44 53.17 3gd3 n ALA 519 Cb 0.14 -0.27 -0.08 0.00 0.00 0.00 0.00 19.45 19.24 3gd3 n ALA 519 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3gd3 h THR 520 N 0.00 1.37 -0.36 0.00 2.02 -0.86 -2.74 112.91 112.34 3gd3 h THR 520 Ca -0.06 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 65.85 3gd3 h THR 520 Cb 0.72 2.04 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 3gd3 h THR 520 CO 0.00 0.36 0.20 -0.33 0.37 0.00 0.00 175.52 176.13 3gd3 h GLU 521 N -0.21 0.39 0.00 6.66 5.08 -1.30 0.22 114.58 125.42 3gd3 h GLU 521 Ca 0.01 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 3gd3 h GLU 521 Cb 0.63 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3gd3 h GLU 521 CO 0.02 0.26 0.00 1.96 -1.00 0.00 0.00 179.01 180.26 3gd3 h GLN 522 N 0.41 0.00 0.00 2.33 4.20 -1.62 -3.34 115.11 117.08 3gd3 h GLN 522 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gd3 h GLN 522 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3gd3 h GLN 522 CO -0.08 0.00 -0.83 -1.13 -0.67 0.00 0.00 178.83 176.12 3gd3 n SER 523 N -2.77 4.15 0.00 1.46 3.41 -1.03 -5.03 113.62 113.80 3gd3 n SER 523 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 3gd3 n SER 523 Cb 0.32 0.74 0.00 0.00 -0.26 0.00 0.00 64.21 65.01 3gd3 n SER 523 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3gd3 n GLY 524 N 2.18 0.66 3.10 5.00 0.00 0.76 -5.01 105.19 111.88 3gd3 n GLY 524 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 3gd3 n GLY 524 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gd3 s THR 525 N -2.16 0.77 -0.24 2.61 -1.32 -1.23 -5.02 115.64 109.05 3gd3 s THR 525 Ca 0.00 -1.12 0.14 0.00 -1.21 0.00 0.00 61.69 59.50 3gd3 s THR 525 Cb 0.00 -0.78 0.77 0.00 -1.51 0.00 0.00 72.50 70.97 3gd3 s THR 525 CO 0.00 -0.29 1.71 0.61 -2.21 0.00 0.00 174.62 174.44 3gd3 n GLY 526 N 1.48 3.29 3.13 6.08 0.00 -1.26 -4.17 105.19 113.74 3gd3 n GLY 526 Ca -0.22 -0.96 -0.35 0.00 0.00 0.00 0.00 46.02 44.49 3gd3 n GLY 526 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gd3 s ILE 527 N -2.83 3.04 0.19 -0.61 -1.09 -1.26 -4.98 121.20 113.68 3gd3 s ILE 527 Ca 0.53 -1.79 -0.12 0.00 -2.23 0.00 0.00 60.65 57.04 3gd3 s ILE 527 Cb 0.41 -2.96 0.11 0.00 -1.58 0.00 0.00 42.46 38.44 3gd3 s ILE 527 CO 0.14 -0.42 1.83 -0.09 -1.23 0.00 0.00 174.94 175.17 3gd3 h ARG 528 N 7.98 0.72 -0.12 2.79 9.65 -1.99 0.23 114.38 133.64 3gd3 h ARG 528 Ca -0.16 -0.04 0.04 0.00 -1.10 0.00 0.00 59.98 58.72 3gd3 h ARG 528 Cb 1.05 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 29.46 3gd3 h ARG 528 CO 0.60 0.48 0.11 0.66 2.80 0.00 0.00 179.97 184.62 3gd3 h SER 529 N 0.74 0.00 0.03 -3.80 4.64 -1.94 -0.40 113.55 112.83 3gd3 h SER 529 Ca 0.25 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.31 3gd3 h SER 529 Cb 0.02 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.13 3gd3 h SER 529 CO -0.10 0.00 -1.03 -0.33 -0.87 0.00 0.00 176.83 174.50 3gd3 h GLU 530 N 0.00 0.64 -0.14 4.77 5.08 -0.88 -3.00 114.58 121.04 3gd3 h GLU 530 Ca 0.06 -0.73 -0.13 0.00 -1.00 0.00 0.00 59.36 57.55 3gd3 h GLU 530 Cb 0.28 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.75 3gd3 h GLU 530 CO -0.00 1.31 -0.43 0.66 -1.00 0.00 0.00 179.01 179.55 3gd3 h SER 531 N 0.28 0.63 0.34 1.42 4.64 -0.78 -3.18 113.55 116.89 3gd3 h SER 531 Ca -0.14 -0.59 -0.07 0.00 -0.47 0.00 0.00 61.79 60.52 3gd3 h SER 531 Cb 1.70 -0.18 -0.01 0.00 -0.31 0.00 0.00 62.40 63.60 3gd3 h SER 531 CO 0.20 1.11 -0.31 -0.33 -0.87 0.00 0.00 176.83 176.63 3gd3 h GLU 532 N 0.17 0.00 0.00 4.77 4.39 -1.23 -3.48 114.58 119.21 3gd3 h GLU 532 Ca -0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.69 3gd3 h GLU 532 Cb 1.05 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.70 3gd3 h GLU 532 CO 0.09 0.31 0.00 0.25 -1.16 0.00 0.00 179.01 178.50 3gd3 n THR 533 N -4.11 0.00 0.02 1.13 -2.24 -1.13 -4.50 114.28 103.44 3gd3 n THR 533 Ca -0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.77 3gd3 n THR 533 Cb 0.36 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.60 3gd3 n THR 533 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3gd3 n GLU 534 N -0.64 0.56 -1.25 -0.78 1.02 -1.26 -4.82 120.64 113.47 3gd3 n GLU 534 Ca 0.00 -0.93 -0.30 0.00 -0.02 0.00 0.00 57.16 55.91 3gd3 n GLU 534 Cb 0.00 -1.02 0.24 0.00 -0.02 0.00 0.00 31.44 30.64 3gd3 n GLU 534 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 3gd3 s SER 535 N -0.43 1.06 -0.38 1.62 1.04 -1.26 -4.95 113.70 110.40 3gd3 s SER 535 Ca 0.02 0.44 0.10 0.00 0.48 0.00 0.00 55.95 56.99 3gd3 s SER 535 Cb 0.01 -0.55 0.31 0.00 0.10 0.00 0.00 66.02 65.89 3gd3 s SER 535 CO 0.02 -4.02 0.68 1.21 0.98 0.00 0.00 173.24 172.11 3gd3 n GLU 536 N -4.66 0.88 0.00 4.02 2.13 -1.26 -4.36 120.64 117.39 3gd3 n GLU 536 Ca 0.15 -3.25 0.00 0.00 0.66 0.00 0.00 57.16 54.72 3gd3 n GLU 536 Cb 0.60 -1.52 0.00 0.00 0.27 0.00 0.00 31.44 30.79 3gd3 n GLU 536 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 3gd3 n ALA 537 N 0.67 -0.22 -0.13 4.31 0.00 -1.21 -4.71 120.51 119.22 3gd3 n ALA 537 Ca 0.23 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.61 3gd3 n ALA 537 Cb 0.62 0.00 0.01 0.00 0.00 0.00 0.00 19.45 20.08 3gd3 n ALA 537 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3gd3 h SER 538 N 0.61 -0.81 -4.73 0.00 4.64 -1.98 -3.44 113.55 107.83 3gd3 h SER 538 Ca 0.00 0.17 -0.22 0.00 -0.47 0.00 0.00 61.79 61.28 3gd3 h SER 538 Cb 0.00 0.42 -0.16 0.00 -0.31 0.00 0.00 62.40 62.35 3gd3 h SER 538 CO 0.00 -0.26 -0.70 -1.61 -0.87 0.00 0.00 176.83 173.39 3gd3 s GLU 539 N -6.10 0.74 -0.37 4.77 2.02 -1.26 -5.14 118.70 113.36 3gd3 s GLU 539 Ca -0.14 -1.20 0.03 0.00 0.02 0.00 0.00 54.97 53.67 3gd3 s GLU 539 Cb 0.15 -0.16 0.11 0.00 0.10 0.00 0.00 34.13 34.33 3gd3 s GLU 539 CO 0.70 -0.02 0.11 0.96 0.02 0.00 0.00 175.26 177.03 3gd3 s ILE 540 N -3.21 1.87 -0.30 -1.63 -4.36 -1.26 -5.06 121.20 107.25 3gd3 s ILE 540 Ca 0.07 -2.26 0.12 0.00 -0.26 0.00 0.00 60.65 58.32 3gd3 s ILE 540 Cb 0.03 -2.37 0.30 0.00 1.25 0.00 0.00 42.46 41.67 3gd3 s ILE 540 CO -0.04 -0.68 1.22 0.35 0.24 0.00 0.00 174.94 176.03 3gd3 n THR 541 N 4.18 1.61 -0.77 8.37 -2.24 -1.26 -5.19 114.28 118.99 3gd3 n THR 541 Ca 0.03 -1.59 0.00 0.00 -2.27 0.00 0.00 64.05 60.22 3gd3 n THR 541 Cb 0.40 0.08 0.00 0.00 -2.10 0.00 0.00 70.33 68.71 3gd3 n THR 541 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3gd3 n ASP 558 N -0.51 0.00 -3.49 3.42 10.43 -1.26 -4.96 116.55 120.18 3gd3 n ASP 558 Ca 0.13 0.00 -0.02 0.00 2.57 0.00 0.00 54.79 57.47 3gd3 n ASP 558 Cb 0.58 -1.15 -0.05 0.00 1.84 0.00 0.00 41.12 42.34 3gd3 n ASP 558 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 3gd3 s TYR 559 N -2.51 -1.26 0.00 1.24 1.51 -1.26 -4.63 117.35 110.44 3gd3 s TYR 559 Ca 0.00 1.87 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 3gd3 s TYR 559 Cb 0.00 0.57 0.00 0.00 -0.11 0.00 0.00 41.96 42.42 3gd3 s TYR 559 CO 0.00 -0.69 0.00 0.41 -1.11 0.00 0.00 175.55 174.16 3gd3 n GLY 560 N 5.42 0.00 3.65 0.71 0.00 -0.36 -4.90 105.19 109.72 3gd3 n GLY 560 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.70 3gd3 n GLY 560 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3gd3 s LYS 561 N -1.72 2.33 0.00 1.61 -2.85 -1.15 -4.59 119.74 113.38 3gd3 s LYS 561 Ca 0.00 -1.29 0.00 0.00 -1.00 0.00 0.00 55.97 53.68 3gd3 s LYS 561 Cb 0.00 -2.24 0.00 0.00 -2.06 0.00 0.00 37.83 33.53 3gd3 s LYS 561 CO 0.00 0.40 0.00 0.41 0.10 0.00 0.00 175.35 176.26 3gd3 n GLY 562 N -0.57 0.77 3.35 0.59 0.00 -0.55 -0.50 105.19 108.28 3gd3 n GLY 562 Ca -0.08 -0.70 -0.28 0.00 0.00 0.00 0.00 46.02 44.96 3gd3 n GLY 562 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gd3 s VAL 563 N -2.00 2.10 -0.13 1.61 0.11 0.83 -1.53 120.40 121.38 3gd3 s VAL 563 Ca 0.00 -1.59 0.00 0.00 -2.93 0.00 0.00 61.98 57.46 3gd3 s VAL 563 Cb 0.00 -1.85 0.02 0.00 -1.53 0.00 0.00 36.38 33.02 3gd3 s VAL 563 CO 0.00 0.15 -0.12 -0.63 -3.33 0.00 0.00 175.10 171.17 3gd3 s ILE 564 N -0.99 1.39 -0.23 7.04 1.01 -0.66 -0.33 121.20 128.43 3gd3 s ILE 564 Ca 0.12 -0.52 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 3gd3 s ILE 564 Cb -0.10 -1.33 -0.04 0.00 0.01 0.00 0.00 42.46 41.00 3gd3 s ILE 564 CO 0.04 0.43 0.12 -0.36 0.00 0.00 0.00 174.94 175.17 3gd3 s PHE 565 N 1.52 3.25 -0.24 3.97 0.40 0.12 -1.15 117.98 125.85 3gd3 s PHE 565 Ca 0.04 0.07 -0.17 0.00 -0.60 0.00 0.00 56.93 56.27 3gd3 s PHE 565 Cb -0.13 -2.22 -0.03 0.00 0.51 0.00 0.00 43.02 41.15 3gd3 s PHE 565 CO -0.09 0.00 0.48 0.71 0.70 0.00 0.00 175.22 177.02 3gd3 s TYR 566 N 1.02 3.30 0.28 0.36 1.51 0.24 -1.36 117.35 122.70 3gd3 s TYR 566 Ca 0.06 0.63 0.08 0.00 -1.01 0.00 0.00 57.07 56.83 3gd3 s TYR 566 Cb -0.14 -2.66 -0.04 0.00 -0.11 0.00 0.00 41.96 39.01 3gd3 s TYR 566 CO 0.04 -0.20 0.14 -0.51 -1.11 0.00 0.00 175.55 173.91 3gd3 s LEU 567 N 2.01 3.53 -0.19 -1.29 1.43 -0.74 -0.56 118.68 122.86 3gd3 s LEU 567 Ca 0.21 -0.47 -0.14 0.00 -1.03 0.00 0.00 54.13 52.69 3gd3 s LEU 567 Cb -0.15 -2.06 0.06 0.00 0.03 0.00 0.00 46.19 44.07 3gd3 s LEU 567 CO 0.09 -0.10 0.49 0.00 0.23 0.00 0.00 176.35 177.07 3gd3 s ARG 568 N -3.81 0.53 0.00 1.70 1.70 -1.07 -4.17 118.95 113.82 3gd3 s ARG 568 Ca 0.34 0.81 0.00 0.00 -0.47 0.00 0.00 55.73 56.41 3gd3 s ARG 568 Cb -0.06 0.15 0.00 0.00 -0.57 0.00 0.00 34.95 34.46 3gd3 s ARG 568 CO 0.23 -0.12 0.00 -0.25 -1.08 0.00 0.00 175.30 174.09 3gd3 n ASP 569 N 3.59 -0.58 0.00 -2.89 8.00 -1.26 -2.48 116.55 120.92 3gd3 n ASP 569 Ca -0.18 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.32 3gd3 n ASP 569 Cb 0.56 -1.65 0.00 0.00 -0.02 0.00 0.00 41.12 40.01 3gd3 n ASP 569 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3gd3 n LYS 570 N -1.82 0.00 -4.71 -1.24 5.02 -1.26 -5.07 118.16 109.08 3gd3 n LYS 570 Ca 0.00 0.28 -0.33 0.00 -2.02 0.00 0.00 58.31 56.24 3gd3 n LYS 570 Cb 0.04 -2.28 -0.13 0.00 -0.02 0.00 0.00 35.03 32.63 3gd3 n LYS 570 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3gd3 s VAL 571 N -2.00 3.32 -0.08 -0.18 1.01 -1.04 -4.01 120.40 117.42 3gd3 s VAL 571 Ca 0.00 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.10 3gd3 s VAL 571 Cb 0.00 -2.38 -0.03 0.00 0.00 0.00 0.00 36.38 33.96 3gd3 s VAL 571 CO 0.00 0.54 1.32 -0.69 0.00 0.00 0.00 175.10 176.27 3gd3 s VAL 572 N -0.06 4.05 -0.04 2.92 1.01 -1.26 -2.61 120.40 124.41 3gd3 s VAL 572 Ca -0.01 1.35 0.09 0.00 0.00 0.00 0.00 61.98 63.41 3gd3 s VAL 572 Cb -0.14 -3.87 -0.13 0.00 0.00 0.00 0.00 36.38 32.24 3gd3 s VAL 572 CO 0.03 -0.05 0.14 1.33 0.00 0.00 0.00 175.10 176.55 3gd3 n VAL 573 N 4.97 0.22 -3.91 2.92 0.24 0.27 -4.56 118.33 118.48 3gd3 n VAL 573 Ca 0.13 -0.27 -0.11 0.00 -2.04 0.00 0.00 64.34 62.06 3gd3 n VAL 573 Cb 0.45 -0.10 -0.11 0.00 -1.47 0.00 0.00 33.84 32.61 3gd3 n VAL 573 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 3gd3 s GLY 574 N -3.44 0.10 -0.02 7.63 0.00 -1.04 -2.20 107.32 108.34 3gd3 s GLY 574 Ca -0.04 -0.24 0.01 0.00 0.00 0.00 0.00 44.72 44.45 3gd3 s GLY 574 CO 0.38 -0.34 -0.01 -0.42 0.00 0.00 0.00 173.10 172.71 3gd3 s ILE 575 N -1.19 0.19 -0.01 0.90 1.01 -0.44 0.80 121.20 122.46 3gd3 s ILE 575 Ca -0.13 0.04 -0.01 0.00 0.00 0.00 0.00 60.65 60.55 3gd3 s ILE 575 Cb -0.07 -0.26 -0.04 0.00 0.01 0.00 0.00 42.46 42.10 3gd3 s ILE 575 CO 0.00 0.13 0.10 -0.69 0.00 0.00 0.00 174.94 174.48 3gd3 s VAL 576 N 0.82 4.88 -0.06 2.92 1.01 -0.30 -1.54 120.40 128.13 3gd3 s VAL 576 Ca -0.08 -0.33 0.05 0.00 0.00 0.00 0.00 61.98 61.62 3gd3 s VAL 576 Cb -0.12 -3.23 -0.01 0.00 0.00 0.00 0.00 36.38 33.03 3gd3 s VAL 576 CO -0.01 0.37 -0.23 -0.76 0.00 0.00 0.00 175.10 174.47 3gd3 s LEU 577 N -1.71 2.02 -0.29 3.92 1.43 0.12 -1.65 118.68 122.51 3gd3 s LEU 577 Ca 0.23 -0.48 0.02 0.00 -1.03 0.00 0.00 54.13 52.88 3gd3 s LEU 577 Cb -0.12 -1.27 0.08 0.00 0.03 0.00 0.00 46.19 44.91 3gd3 s LEU 577 CO 0.14 0.20 -0.01 0.86 0.23 0.00 0.00 176.35 177.77 3gd3 s TRP 578 N 0.02 2.98 -1.43 0.29 -0.00 -0.58 -1.34 118.94 118.88 3gd3 s TRP 578 Ca -0.07 -2.32 -0.09 0.00 -0.00 0.00 0.00 56.10 53.62 3gd3 s TRP 578 Cb -0.14 -2.16 0.05 0.00 -0.00 0.00 0.00 33.47 31.22 3gd3 s TRP 578 CO 0.04 -0.87 0.65 0.09 -0.00 0.00 0.00 176.95 176.86 3gd3 n ASN 579 N 4.49 -4.89 -4.22 5.86 3.02 -0.78 -1.48 115.26 117.27 3gd3 n ASN 579 Ca -0.05 -0.43 -0.32 0.00 -0.03 0.00 0.00 54.58 53.74 3gd3 n ASN 579 Cb 0.43 -3.97 -0.16 0.00 -0.61 0.00 0.00 39.78 35.46 3gd3 n ASN 579 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3gd3 s VAL 580 N -3.10 2.19 0.04 2.41 1.01 -1.26 -4.57 120.40 117.12 3gd3 s VAL 580 Ca 0.42 -0.96 0.04 0.00 0.00 0.00 0.00 61.98 61.48 3gd3 s VAL 580 Cb -0.21 -1.86 -0.02 0.00 0.00 0.00 0.00 36.38 34.29 3gd3 s VAL 580 CO 0.52 0.55 -0.11 -0.36 0.00 0.00 0.00 175.10 175.70 3gd3 s PHE 581 N 0.53 0.95 -1.11 5.22 0.40 -1.26 -4.85 117.98 117.86 3gd3 s PHE 581 Ca -0.13 -0.38 -0.01 0.00 -0.60 0.00 0.00 56.93 55.80 3gd3 s PHE 581 Cb -0.17 -0.56 -0.01 0.00 0.51 0.00 0.00 43.02 42.79 3gd3 s PHE 581 CO 0.04 -0.00 0.93 0.09 0.70 0.00 0.00 175.22 176.98 3gd3 n ASN 582 N 1.80 -2.80 0.00 1.36 5.03 -1.26 -4.89 115.26 114.50 3gd3 n ASN 582 Ca -0.19 -0.60 0.00 0.00 0.87 0.00 0.00 54.58 54.66 3gd3 n ASN 582 Cb 0.55 -4.89 0.00 0.00 -1.02 0.00 0.00 39.78 34.42 3gd3 n ASN 582 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.26 175.97 3gd3 n ARG 583 N -3.81 0.04 -0.27 3.52 5.12 -1.26 -4.91 116.66 115.09 3gd3 n ARG 583 Ca -0.24 -0.00 0.08 0.00 -1.93 0.00 0.00 57.85 55.76 3gd3 n ARG 583 Cb 0.65 -0.24 0.23 0.00 -1.16 0.00 0.00 32.46 31.94 3gd3 n ARG 583 CO 0.00 0.00 0.00 1.98 -1.93 0.00 0.00 177.63 177.68 3gd3 h MET 584 N 0.00 0.33 -0.46 5.56 4.05 -1.90 0.33 114.93 122.84 3gd3 h MET 584 Ca 0.00 -0.02 0.04 0.00 -0.28 0.00 0.00 59.70 59.44 3gd3 h MET 584 Cb 0.23 -0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 30.90 3gd3 h MET 584 CO 0.00 0.22 -0.27 -2.30 0.23 0.00 0.00 176.91 174.79 3gd3 n PRO 585 N -5.10 -0.20 -0.09 0.39 -0.02 -1.26 -0.67 135.00 128.04 3gd3 n PRO 585 Ca 0.17 0.89 -0.02 0.00 -2.02 0.00 0.00 63.50 62.52 3gd3 n PRO 585 Cb 0.52 -1.31 0.23 0.00 -0.02 0.00 0.00 33.50 32.93 3gd3 n PRO 585 CO 0.00 0.00 0.00 0.82 1.98 0.00 0.00 175.50 178.30 3gd3 h ILE 586 N 0.00 1.21 -0.42 4.25 5.03 -0.73 -1.64 117.51 125.22 3gd3 h ILE 586 Ca 0.07 -0.76 0.02 0.00 -0.12 0.00 0.00 64.86 64.07 3gd3 h ILE 586 Cb 0.19 0.72 -0.02 0.00 -3.03 0.00 0.00 36.82 34.68 3gd3 h ILE 586 CO -0.44 0.28 0.28 0.00 -0.68 0.00 0.00 178.15 177.59 3gd3 h ALA 587 N 1.41 1.76 -0.16 1.87 0.00 -0.32 -1.66 119.26 122.16 3gd3 h ALA 587 Ca 0.16 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.95 3gd3 h ALA 587 Cb 0.27 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gd3 h ALA 587 CO -0.00 0.20 -0.26 0.00 0.00 0.00 0.00 179.25 179.20 3gd3 h ARG 588 N 0.51 0.46 0.48 0.00 3.08 0.05 -3.15 114.38 115.81 3gd3 h ARG 588 Ca 0.16 -0.28 -0.01 0.00 0.07 0.00 0.00 59.98 59.92 3gd3 h ARG 588 Cb 0.02 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.08 3gd3 h ARG 588 CO -0.04 0.87 -0.47 -0.22 -1.07 0.00 0.00 179.97 179.05 3gd3 h LYS 589 N 0.09 -0.91 -0.98 0.04 1.63 -0.89 0.25 116.57 115.80 3gd3 h LYS 589 Ca 0.01 0.06 0.28 0.00 -0.85 0.00 0.00 60.65 60.16 3gd3 h LYS 589 Cb 0.83 0.21 -0.18 0.00 -0.60 0.00 0.00 32.23 32.49 3gd3 h LYS 589 CO 0.06 -0.60 0.10 0.82 -3.45 0.00 0.00 179.45 176.38 3gd3 h ILE 590 N -0.94 0.05 0.06 2.00 2.04 -1.43 1.31 117.51 120.61 3gd3 h ILE 590 Ca -0.06 -0.01 -0.23 0.00 1.00 0.00 0.00 64.86 65.56 3gd3 h ILE 590 Cb 0.81 0.02 0.02 0.00 -0.74 0.00 0.00 36.82 36.93 3gd3 h ILE 590 CO -0.05 0.00 -0.93 0.40 0.00 0.00 0.00 178.15 177.58 3gd3 h ILE 591 N 0.03 1.37 0.91 -0.67 2.04 -1.44 -2.77 117.51 116.97 3gd3 h ILE 591 Ca 0.62 -2.31 -0.04 0.00 1.00 0.00 0.00 64.86 64.13 3gd3 h ILE 591 Cb 1.33 2.70 0.01 0.00 -0.74 0.00 0.00 36.82 40.11 3gd3 h ILE 591 CO -0.88 0.69 -0.44 0.50 0.00 0.00 0.00 178.15 178.02 3gd3 h LYS 592 N 0.06 -1.18 0.00 2.37 1.63 0.22 -2.52 116.57 117.15 3gd3 h LYS 592 Ca -0.13 0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.75 3gd3 h LYS 592 Cb 1.63 0.27 0.00 0.00 -0.60 0.00 0.00 32.23 33.53 3gd3 h LYS 592 CO 0.18 -0.78 0.12 -0.44 -3.45 0.00 0.00 179.45 175.08 3gd3 h ASP 593 N -1.27 0.00 -5.97 4.20 5.19 0.14 -3.45 116.42 115.27 3gd3 h ASP 593 Ca -0.12 0.00 -0.37 0.00 -0.62 0.00 0.00 57.03 55.91 3gd3 h ASP 593 Cb 0.94 0.00 -0.17 0.00 0.18 0.00 0.00 39.33 40.28 3gd3 h ASP 593 CO 0.21 0.00 -0.55 0.61 -3.12 0.00 0.00 179.24 176.39 3gd3 n GLY 594 N -1.28 -0.46 3.81 2.75 0.00 -0.95 -4.90 105.19 104.17 3gd3 n GLY 594 Ca -0.01 0.06 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 3gd3 n GLY 594 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3gd3 s GLU 595 N -6.20 4.13 0.65 1.61 0.41 -1.26 -4.88 118.70 113.16 3gd3 s GLU 595 Ca 0.46 1.19 -0.12 0.00 -0.41 0.00 0.00 54.97 56.09 3gd3 s GLU 595 Cb -0.26 -2.17 -0.02 0.00 -1.78 0.00 0.00 34.13 29.90 3gd3 s GLU 595 CO 0.56 -0.13 1.05 -0.65 -0.49 0.00 0.00 175.26 175.60 3gd3 s GLN 596 N -3.17 3.25 -0.30 1.61 -0.21 -1.26 -4.29 119.66 115.29 3gd3 s GLN 596 Ca 0.63 0.93 -0.01 0.00 0.02 0.00 0.00 55.36 56.93 3gd3 s GLN 596 Cb -0.11 -2.03 0.13 0.00 1.00 0.00 0.00 33.01 32.00 3gd3 s GLN 596 CO 0.15 -0.85 0.25 -1.01 -2.12 0.00 0.00 175.29 171.71 3gd3 s HIS 597 N -2.98 -0.14 0.45 0.91 3.76 -1.26 -4.99 115.29 111.04 3gd3 s HIS 597 Ca 0.58 -0.54 0.32 0.00 -0.15 0.00 0.00 55.06 55.27 3gd3 s HIS 597 Cb -0.13 -0.61 1.46 0.00 1.11 0.00 0.00 32.58 34.41 3gd3 s HIS 597 CO 0.51 -0.89 1.62 0.93 -0.85 0.00 0.00 174.74 176.05 3gd3 h GLU 598 N 8.10 0.07 -3.72 1.40 5.08 -1.97 -3.37 114.58 120.16 3gd3 h GLU 598 Ca -0.12 -0.00 -0.30 0.00 -1.00 0.00 0.00 59.36 57.94 3gd3 h GLU 598 Cb 1.05 -0.02 -0.32 0.00 0.50 0.00 0.00 28.75 29.96 3gd3 h GLU 598 CO 0.35 0.04 -0.74 0.34 -1.00 0.00 0.00 179.01 178.01 3gd3 s ASP 599 N -4.44 0.22 -0.21 1.42 3.68 -1.26 -5.05 116.67 111.05 3gd3 s ASP 599 Ca -0.07 -0.01 0.16 0.00 2.13 0.00 0.00 52.55 54.76 3gd3 s ASP 599 Cb 0.29 -0.10 -0.24 0.00 -1.45 0.00 0.00 42.92 41.42 3gd3 s ASP 599 CO 0.83 -0.07 0.04 0.18 0.13 0.00 0.00 175.17 176.28 3gd3 n LEU 600 N 3.77 0.42 -0.26 -1.34 4.77 -1.26 -4.23 117.00 118.87 3gd3 n LEU 600 Ca -0.22 -0.01 0.30 0.00 -0.03 0.00 0.00 56.01 56.05 3gd3 n LEU 600 Cb 0.53 0.30 0.70 0.00 -2.33 0.00 0.00 43.42 42.63 3gd3 n LEU 600 CO 0.24 0.56 1.28 0.78 -1.33 0.00 0.00 177.39 178.92 3gd3 h ASN 601 N 0.00 0.07 -0.17 -1.43 -0.26 -1.96 0.23 115.58 112.06 3gd3 h ASN 601 Ca -0.55 0.01 -0.18 0.00 -0.56 0.00 0.00 56.30 55.02 3gd3 h ASN 601 Cb 2.20 0.00 0.01 0.00 -1.06 0.00 0.00 38.32 39.47 3gd3 h ASN 601 CO 0.02 0.02 -0.61 -0.33 -1.06 0.00 0.00 177.43 175.46 3gd3 h GLU 602 N 0.06 0.71 -0.61 0.81 4.39 -1.96 -3.23 114.58 114.74 3gd3 h GLU 602 Ca 0.50 -0.54 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 3gd3 h GLU 602 Cb 1.90 0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 30.63 3gd3 h GLU 602 CO -0.04 1.16 0.11 0.28 -1.16 0.00 0.00 179.01 179.35 3gd3 h VAL 603 N 0.41 1.26 0.00 3.13 2.07 -0.80 -2.24 116.25 120.06 3gd3 h VAL 603 Ca -0.03 -0.98 0.00 0.00 0.82 0.00 0.00 66.70 66.51 3gd3 h VAL 603 Cb 1.24 0.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.72 3gd3 h VAL 603 CO 0.13 0.36 0.09 0.00 0.02 0.00 0.00 177.57 178.17 3gd3 n ALA 604 N -2.44 0.90 0.49 1.67 0.00 -0.15 -0.08 120.51 120.90 3gd3 n ALA 604 Ca 0.03 0.14 0.13 0.00 0.00 0.00 0.00 53.44 53.74 3gd3 n ALA 604 Cb 0.27 -1.09 0.42 0.00 0.00 0.00 0.00 19.45 19.05 3gd3 n ALA 604 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 3gd3 h LYS 605 N 0.00 0.00 0.00 0.00 1.57 -1.42 -2.21 116.57 114.51 3gd3 h LYS 605 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gd3 h LYS 605 Cb 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 3gd3 h LYS 605 CO 0.00 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.16 3gd3 n LEU 606 N -2.43 0.56 -0.84 2.94 7.99 0.89 -2.20 117.00 123.91 3gd3 n LEU 606 Ca 0.04 0.61 0.08 0.00 -0.01 0.00 0.00 56.01 56.73 3gd3 n LEU 606 Cb 0.38 -0.50 0.23 0.00 -0.11 0.00 0.00 43.42 43.42 3gd3 n LEU 606 CO 0.28 -0.39 0.69 0.49 -1.51 0.00 0.00 177.39 176.94 3gd3 n PHE 607 N -2.09 0.81 -3.62 -1.77 3.72 -1.01 -4.99 117.46 108.51 3gd3 n PHE 607 Ca 0.03 -0.74 -0.26 0.00 -0.05 0.00 0.00 57.45 56.44 3gd3 n PHE 607 Cb 0.27 -0.22 0.04 0.00 -0.94 0.00 0.00 39.48 38.64 3gd3 n PHE 607 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3gd3 n ASN 608 N -0.09 -4.49 -4.16 4.37 5.15 -0.93 -5.01 115.26 110.09 3gd3 n ASN 608 Ca 0.18 -0.92 -0.33 0.00 -0.60 0.00 0.00 54.58 52.90 3gd3 n ASN 608 Cb 0.74 -3.83 -0.16 0.00 -0.53 0.00 0.00 39.78 36.01 3gd3 n ASN 608 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 3gd3 s ILE 609 N -3.52 2.35 -1.27 -1.44 -1.09 -0.86 -5.01 121.20 110.35 3gd3 s ILE 609 Ca 0.36 -0.84 0.10 0.00 -2.23 0.00 0.00 60.65 58.04 3gd3 s ILE 609 Cb -0.11 -2.01 0.08 0.00 -1.58 0.00 0.00 42.46 38.84 3gd3 s ILE 609 CO 0.83 0.51 0.82 1.41 -1.23 0.00 0.00 174.94 177.29