#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekj h SER 119 N 0.00 -0.13 -0.83 3.14 0.02 -2.04 2.77 113.55 116.49 1ekj h SER 119 Ca 0.00 0.15 0.06 0.00 -0.84 0.00 0.00 61.79 61.16 1ekj h SER 119 Cb 0.00 0.23 -0.06 0.00 0.14 0.00 0.00 62.40 62.71 1ekj h SER 119 CO 0.00 -0.07 0.51 -0.08 -1.14 0.00 0.00 176.83 176.05 1ekj h GLU 120 N 0.20 0.91 -0.01 3.45 4.81 -2.04 0.36 114.58 122.25 1ekj h GLU 120 Ca 0.36 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.43 1ekj h GLU 120 Cb 0.60 -0.20 0.01 0.00 0.63 0.00 0.00 28.75 29.78 1ekj h GLU 120 CO -0.51 0.60 -0.43 0.00 -0.73 0.00 0.00 179.01 177.94 1ekj h ALA 121 N 1.40 0.06 0.00 2.92 0.00 -1.25 -1.95 119.26 120.45 1ekj h ALA 121 Ca 0.36 -0.51 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1ekj h ALA 121 Cb 0.17 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 1ekj h ALA 121 CO -0.17 0.23 -0.12 0.77 0.00 0.00 0.00 179.25 179.95 1ekj h SER 122 N -0.27 0.00 0.17 0.00 0.02 0.51 -0.30 113.55 113.68 1ekj h SER 122 Ca -0.05 0.00 -0.25 0.00 -0.84 0.00 0.00 61.79 60.65 1ekj h SER 122 Cb 1.15 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.71 1ekj h SER 122 CO 0.08 0.12 -1.13 -0.08 -1.14 0.00 0.00 176.83 174.68 1ekj h GLU 123 N 0.00 0.36 -1.01 3.45 4.57 -0.33 -2.26 114.58 119.36 1ekj h GLU 123 Ca -0.00 -0.62 0.14 0.00 -1.18 0.00 0.00 59.36 57.70 1ekj h GLU 123 Cb 0.31 0.23 -0.09 0.00 -0.16 0.00 0.00 28.75 29.04 1ekj h GLU 123 CO 0.02 1.30 0.63 -0.09 -1.18 0.00 0.00 179.01 179.68 1ekj h ARG 124 N -0.20 0.90 -0.16 1.92 1.12 -0.76 0.96 114.38 118.16 1ekj h ARG 124 Ca -0.21 -0.05 -0.08 0.00 -1.11 0.00 0.00 59.98 58.53 1ekj h ARG 124 Cb 1.83 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 31.58 1ekj h ARG 124 CO 0.17 0.60 -0.21 0.82 -3.11 0.00 0.00 179.97 178.24 1ekj h ILE 125 N 0.93 1.35 0.24 1.20 2.04 -1.05 -2.07 117.51 120.15 1ekj h ILE 125 Ca 0.52 -1.42 -0.01 0.00 1.00 0.00 0.00 64.86 64.95 1ekj h ILE 125 Cb 0.61 1.89 0.00 0.00 -0.74 0.00 0.00 36.82 38.58 1ekj h ILE 125 CO -0.30 0.42 -0.12 0.50 0.00 0.00 0.00 178.15 178.65 1ekj h LYS 126 N 0.07 -0.32 -0.72 2.37 3.64 -0.63 -2.34 116.57 118.64 1ekj h LYS 126 Ca 0.02 0.02 0.04 0.00 -1.27 0.00 0.00 60.65 59.46 1ekj h LYS 126 Cb 0.77 0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 32.63 1ekj h LYS 126 CO 0.05 -0.14 0.48 1.79 -2.27 0.00 0.00 179.45 179.36 1ekj h THR 127 N -0.43 1.10 0.00 1.00 1.35 -0.94 -1.27 112.91 113.72 1ekj h THR 127 Ca -0.03 -0.30 -0.08 0.00 -0.55 0.00 0.00 66.41 65.45 1ekj h THR 127 Cb 0.32 0.16 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 1ekj h THR 127 CO 0.05 0.16 -0.37 1.23 -0.25 0.00 0.00 175.52 176.34 1ekj h GLY 128 N 0.86 0.00 0.72 5.82 0.00 -1.17 -2.26 103.07 107.04 1ekj h GLY 128 Ca 0.29 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.40 1ekj h GLY 128 CO -0.08 0.00 -0.99 -2.75 0.00 0.00 0.00 176.54 172.72 1ekj h PHE 129 N 0.00 0.57 -0.49 5.60 3.57 -0.80 -2.99 116.94 122.40 1ekj h PHE 129 Ca -0.00 -0.42 0.04 0.00 3.53 0.00 0.00 57.97 61.12 1ekj h PHE 129 Cb 0.71 -0.02 -0.03 0.00 2.79 0.00 0.00 35.95 39.40 1ekj h PHE 129 CO 0.00 1.38 0.33 -0.07 -2.23 0.00 0.00 178.31 177.72 1ekj h LEU 130 N -0.31 0.43 -0.07 0.59 3.38 -1.22 0.56 115.31 118.66 1ekj h LEU 130 Ca -0.18 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.78 1ekj h LEU 130 Cb 1.72 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 42.37 1ekj h LEU 130 CO 0.15 0.29 0.01 -0.74 0.09 0.00 0.00 178.44 178.24 1ekj h HIS 131 N 0.49 0.12 -0.57 1.13 2.76 -1.48 -2.37 115.15 115.24 1ekj h HIS 131 Ca 0.20 -0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.29 1ekj h HIS 131 Cb 0.20 -0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.10 1ekj h HIS 131 CO -0.00 0.32 0.08 0.35 -1.30 0.00 0.00 177.93 177.38 1ekj h PHE 132 N -0.11 1.01 -0.14 5.26 3.57 -1.11 -1.91 116.94 123.51 1ekj h PHE 132 Ca 0.02 -0.14 0.04 0.00 3.53 0.00 0.00 57.97 61.42 1ekj h PHE 132 Cb 0.26 -0.27 -0.05 0.00 2.79 0.00 0.00 35.95 38.68 1ekj h PHE 132 CO 0.01 0.89 -0.16 -0.22 -2.23 0.00 0.00 178.31 176.60 1ekj h LYS 133 N 0.84 -0.19 0.01 1.11 3.11 0.16 -1.18 116.57 120.44 1ekj h LYS 133 Ca 0.17 0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.96 1ekj h LYS 133 Cb 0.43 0.04 -0.00 0.00 -1.00 0.00 0.00 32.23 31.70 1ekj h LYS 133 CO 0.01 -0.12 -0.33 1.57 -2.81 0.00 0.00 179.45 177.77 1ekj h LYS 134 N -0.19 0.03 0.00 1.90 2.10 -1.46 0.20 116.57 119.14 1ekj h LYS 134 Ca 0.10 -0.05 0.00 0.00 -2.00 0.00 0.00 60.65 58.69 1ekj h LYS 134 Cb 0.34 0.02 0.00 0.00 -0.90 0.00 0.00 32.23 31.69 1ekj h LYS 134 CO -0.26 1.03 0.00 0.39 -2.00 0.00 0.00 179.45 178.61 1ekj n GLU 135 N -4.52 0.01 0.03 0.07 4.71 -0.72 -2.73 120.64 117.50 1ekj n GLU 135 Ca -0.15 0.23 0.00 0.00 -0.01 0.00 0.00 57.16 57.23 1ekj n GLU 135 Cb 0.56 -1.53 0.00 0.00 -1.01 0.00 0.00 31.44 29.46 1ekj n GLU 135 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1ekj n LYS 136 N -1.55 0.00 -0.21 3.49 5.02 -0.54 -4.61 118.16 119.76 1ekj n LYS 136 Ca 0.04 0.00 -0.01 0.00 -2.02 0.00 0.00 58.31 56.32 1ekj n LYS 136 Cb 0.20 -0.02 0.06 0.00 -0.02 0.00 0.00 35.03 35.25 1ekj n LYS 136 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ekj h TYR 137 N 0.00 -0.33 -0.04 2.13 3.20 -1.21 -2.10 116.97 118.62 1ekj h TYR 137 Ca 0.00 0.06 -0.12 0.00 3.14 0.00 0.00 58.73 61.81 1ekj h TYR 137 Cb 0.00 0.24 0.01 0.00 1.54 0.00 0.00 36.73 38.52 1ekj h TYR 137 CO 0.00 -0.27 -0.43 -0.44 -1.64 0.00 0.00 178.16 175.39 1ekj h ASP 138 N -0.00 0.44 0.00 -2.11 3.32 -0.73 -3.25 116.42 114.09 1ekj h ASP 138 Ca 0.30 -0.71 0.00 0.00 0.02 0.00 0.00 57.03 56.64 1ekj h ASP 138 Cb 0.45 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 39.87 1ekj h ASP 138 CO -0.64 1.08 0.00 0.29 -1.72 0.00 0.00 179.24 178.26 1ekj n LYS 139 N -4.34 0.37 -2.69 3.56 5.02 -0.84 -3.46 118.16 115.78 1ekj n LYS 139 Ca -0.09 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.14 1ekj n LYS 139 Cb 0.57 -1.15 0.10 0.00 -0.02 0.00 0.00 35.03 34.53 1ekj n LYS 139 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ekj n ASN 140 N 0.17 -1.66 0.12 4.39 2.85 -0.92 -4.91 115.26 115.29 1ekj n ASN 140 Ca 0.00 -2.49 0.09 0.00 -0.11 0.00 0.00 54.58 52.07 1ekj n ASN 140 Cb 0.08 1.39 0.45 0.00 1.24 0.00 0.00 39.78 42.94 1ekj n ASN 140 CO 0.00 0.00 0.00 -0.81 -2.11 0.00 0.00 177.26 174.34 1ekj n PRO 141 N 0.59 0.12 0.13 1.20 -0.04 -1.22 -2.79 135.00 132.99 1ekj n PRO 141 Ca -0.01 0.52 -0.05 0.00 -0.04 0.00 0.00 63.50 63.92 1ekj n PRO 141 Cb 0.73 -1.83 -0.03 0.00 -0.04 0.00 0.00 33.50 32.33 1ekj n PRO 141 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ekj h ALA 142 N 2.12 -0.73 -0.01 0.55 0.00 -1.92 -0.97 119.26 118.29 1ekj h ALA 142 Ca 0.00 -0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.86 1ekj h ALA 142 Cb 0.13 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.00 1ekj h ALA 142 CO 0.00 -0.71 -0.35 1.25 0.00 0.00 0.00 179.25 179.44 1ekj h LEU 143 N -0.51 -1.06 -2.18 0.00 5.85 -1.94 -2.12 115.31 113.35 1ekj h LEU 143 Ca -0.04 0.14 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 1ekj h LEU 143 Cb 0.27 0.42 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1ekj h LEU 143 CO 0.06 -0.41 -0.06 1.88 -0.34 0.00 0.00 178.44 179.57 1ekj h TYR 144 N -0.50 0.00 -0.13 1.25 -1.99 -1.64 -0.16 116.97 113.80 1ekj h TYR 144 Ca 0.06 0.00 -0.13 0.00 2.00 0.00 0.00 58.73 60.66 1ekj h TYR 144 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1ekj h TYR 144 CO -0.37 0.06 -0.49 0.78 -0.00 0.00 0.00 178.16 178.14 1ekj h GLY 145 N 0.61 0.36 0.00 3.88 0.00 -0.49 -2.23 103.07 105.19 1ekj h GLY 145 Ca -0.00 -0.39 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1ekj h GLY 145 CO 0.01 0.35 -0.24 0.83 0.00 0.00 0.00 176.54 177.49 1ekj h GLU 146 N 0.26 0.00 -0.96 4.80 4.39 -1.04 -3.32 114.58 118.72 1ekj h GLU 146 Ca 0.01 0.00 0.26 0.00 0.34 0.00 0.00 59.36 59.97 1ekj h GLU 146 Cb 0.96 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.56 1ekj h GLU 146 CO 0.08 0.96 0.67 -0.07 -1.16 0.00 0.00 179.01 179.49 1ekj h LEU 147 N -1.00 0.17 -0.42 1.33 3.38 -1.11 0.44 115.31 118.10 1ekj h LEU 147 Ca -0.06 0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1ekj h LEU 147 Cb 1.02 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ekj h LEU 147 CO -0.04 0.05 0.00 0.00 0.09 0.00 0.00 178.44 178.54 1ekj n ALA 148 N -2.63 1.34 0.07 1.53 0.00 -0.84 -2.37 120.51 117.60 1ekj n ALA 148 Ca 0.21 0.04 0.09 0.00 0.00 0.00 0.00 53.44 53.78 1ekj n ALA 148 Cb 0.93 -1.21 -0.13 0.00 0.00 0.00 0.00 19.45 19.03 1ekj n ALA 148 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ekj n LYS 149 N -1.80 0.61 0.00 0.00 5.02 0.15 -5.08 118.16 117.07 1ekj n LYS 149 Ca 0.01 -0.15 0.00 0.00 -2.02 0.00 0.00 58.31 56.15 1ekj n LYS 149 Cb 0.10 -1.41 0.00 0.00 -0.02 0.00 0.00 35.03 33.70 1ekj n LYS 149 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ekj n GLY 150 N 1.49 0.40 3.20 0.72 0.00 -1.00 -5.16 105.19 104.85 1ekj n GLY 150 Ca -0.03 -1.09 -0.13 0.00 0.00 0.00 0.00 46.02 44.77 1ekj n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ekj s GLN 151 N -2.00 0.93 -0.46 1.61 -2.07 -1.26 -4.35 119.66 112.06 1ekj s GLN 151 Ca 0.00 -1.35 0.05 0.00 -1.82 0.00 0.00 55.36 52.25 1ekj s GLN 151 Cb 0.00 -0.44 0.29 0.00 -1.09 0.00 0.00 33.01 31.77 1ekj s GLN 151 CO 0.00 0.04 1.06 -1.13 -1.32 0.00 0.00 175.29 173.94 1ekj n SER 152 N 0.01 -2.42 -4.76 12.60 3.41 -1.26 -5.01 113.62 116.20 1ekj n SER 152 Ca -0.12 -3.34 -0.41 0.00 -0.26 0.00 0.00 58.87 54.74 1ekj n SER 152 Cb 0.60 1.79 -0.02 0.00 -0.26 0.00 0.00 64.21 66.32 1ekj n SER 152 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ekj s PRO 153 N 0.40 4.26 0.43 4.33 0.04 -1.21 -4.90 135.00 138.35 1ekj s PRO 153 Ca 0.26 2.34 0.23 0.00 0.04 0.00 0.00 61.00 63.86 1ekj s PRO 153 Cb 0.26 -3.08 0.32 0.00 0.04 0.00 0.00 34.50 32.05 1ekj s PRO 153 CO -0.14 -0.39 1.58 -1.00 0.04 0.00 0.00 177.00 177.09 1ekj h PRO 154 N 4.38 0.00 -6.26 0.56 0.13 -1.79 -3.39 132.00 125.63 1ekj h PRO 154 Ca -0.47 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.00 1ekj h PRO 154 Cb 1.22 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1ekj h PRO 154 CO 0.73 0.00 -0.66 -0.06 -0.23 0.00 0.00 178.00 177.78 1ekj s PHE 155 N -3.22 3.00 -0.10 1.56 0.40 -1.10 -0.15 117.98 118.38 1ekj s PHE 155 Ca 0.07 0.01 0.03 0.00 -0.60 0.00 0.00 56.93 56.43 1ekj s PHE 155 Cb 0.05 -1.60 0.01 0.00 0.51 0.00 0.00 43.02 41.99 1ekj s PHE 155 CO 0.68 0.45 -0.17 1.41 0.70 0.00 0.00 175.22 178.29 1ekj s MET 156 N -1.85 2.38 0.01 0.44 -2.45 -0.21 -1.25 119.30 116.37 1ekj s MET 156 Ca 0.22 -0.63 0.05 0.00 -1.25 0.00 0.00 55.69 54.07 1ekj s MET 156 Cb -0.12 -1.92 -0.02 0.00 1.25 0.00 0.00 34.83 34.03 1ekj s MET 156 CO 0.13 0.03 -0.15 0.08 1.05 0.00 0.00 175.02 176.16 1ekj s VAL 157 N 0.72 1.17 -0.18 10.11 1.01 -0.39 0.47 120.40 133.29 1ekj s VAL 157 Ca -0.12 -0.79 -0.01 0.00 0.00 0.00 0.00 61.98 61.06 1ekj s VAL 157 Cb -0.16 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1ekj s VAL 157 CO 0.02 0.20 -0.12 -0.36 0.00 0.00 0.00 175.10 174.85 1ekj s PHE 158 N -0.55 2.85 0.05 5.22 0.40 0.96 -0.50 117.98 126.41 1ekj s PHE 158 Ca 0.04 -1.13 -0.01 0.00 -0.60 0.00 0.00 56.93 55.23 1ekj s PHE 158 Cb -0.07 -1.98 -0.04 0.00 0.51 0.00 0.00 43.02 41.45 1ekj s PHE 158 CO 0.00 -0.57 -0.02 0.00 0.70 0.00 0.00 175.22 175.33 1ekj s ALA 159 N 1.16 0.45 0.60 5.36 0.00 -0.78 0.24 121.76 128.79 1ekj s ALA 159 Ca 0.01 -1.14 -0.18 0.00 0.00 0.00 0.00 51.96 50.66 1ekj s ALA 159 Cb -0.14 0.27 -0.03 0.00 0.00 0.00 0.00 23.12 23.21 1ekj s ALA 159 CO -0.04 -0.36 1.13 0.00 0.00 0.00 0.00 175.76 176.49 1ekj h SER 161 N 0.68 0.00 -0.53 0.00 0.02 -1.40 -3.43 113.55 108.90 1ekj h SER 161 Ca -0.49 0.00 -0.42 0.00 -0.84 0.00 0.00 61.79 60.04 1ekj h SER 161 Cb 1.26 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.82 1ekj h SER 161 CO 0.55 0.11 0.07 -0.67 -1.14 0.00 0.00 176.83 175.76 1ekj n ASP 162 N -3.26 0.07 0.23 3.07 -0.08 -1.26 -4.78 116.55 110.54 1ekj n ASP 162 Ca 0.00 0.61 0.16 0.00 -1.51 0.00 0.00 54.79 54.06 1ekj n ASP 162 Cb 0.37 -0.48 0.71 0.00 2.34 0.00 0.00 41.12 44.06 1ekj n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1ekj h SER 163 N 1.71 0.00 -0.17 1.67 4.64 -2.04 -2.92 113.55 116.45 1ekj h SER 163 Ca -0.26 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.06 1ekj h SER 163 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 1ekj h SER 163 CO 0.36 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.86 1ekj n ARG 164 N -2.71 1.74 -2.29 4.77 1.74 -1.26 -4.34 116.66 114.31 1ekj n ARG 164 Ca 0.00 -1.12 -0.09 0.00 -0.77 0.00 0.00 57.85 55.87 1ekj n ARG 164 Cb 0.20 -1.40 0.04 0.00 -1.02 0.00 0.00 32.46 30.29 1ekj n ARG 164 CO 0.00 0.00 0.00 1.33 -1.52 0.00 0.00 177.63 177.44 1ekj n VAL 165 N 0.34 1.77 -1.82 1.55 0.24 -1.10 -5.04 118.33 114.27 1ekj n VAL 165 Ca 0.16 -3.36 -0.42 0.00 -2.04 0.00 0.00 64.34 58.68 1ekj n VAL 165 Cb 0.33 0.18 -0.03 0.00 -1.47 0.00 0.00 33.84 32.86 1ekj n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ekj h PRO 167 N 9.55 0.70 0.00 0.00 0.13 -1.97 -1.06 132.00 139.35 1ekj h PRO 167 Ca -0.45 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1ekj h PRO 167 Cb 1.21 -0.16 0.00 0.00 0.13 0.00 0.00 31.00 32.18 1ekj h PRO 167 CO 0.94 0.46 0.00 0.43 -0.23 0.00 0.00 178.00 179.60 1ekj n SER 168 N -4.50 0.00 -0.07 1.44 7.64 -1.26 -1.44 113.62 115.43 1ekj n SER 168 Ca 0.13 0.21 -0.12 0.00 1.01 0.00 0.00 58.87 60.11 1ekj n SER 168 Cb 0.33 -0.33 -0.04 0.00 -1.01 0.00 0.00 64.21 63.16 1ekj n SER 168 CO 0.00 0.00 0.00 1.41 -3.01 0.00 0.00 175.04 173.44 1ekj n HIS 169 N -1.33 0.00 0.04 1.43 8.25 -0.48 -3.35 115.22 119.78 1ekj n HIS 169 Ca 0.04 0.00 0.14 0.00 -0.26 0.00 0.00 57.72 57.65 1ekj n HIS 169 Cb 0.09 -0.48 0.62 0.00 1.12 0.00 0.00 29.99 31.34 1ekj n HIS 169 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1ekj h VAL 170 N -0.70 0.86 0.00 1.59 2.07 -1.28 -2.76 116.25 116.04 1ekj h VAL 170 Ca -0.18 -0.04 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 1ekj h VAL 170 Cb 0.96 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1ekj h VAL 170 CO -0.11 0.02 -0.26 0.18 0.02 0.00 0.00 177.57 177.43 1ekj n LEU 171 N -4.45 2.30 -4.30 2.57 4.77 -0.52 -5.00 117.00 112.37 1ekj n LEU 171 Ca 0.06 -3.24 -0.38 0.00 -0.03 0.00 0.00 56.01 52.43 1ekj n LEU 171 Cb 0.39 -0.43 -0.06 0.00 -2.33 0.00 0.00 43.42 41.00 1ekj n LEU 171 CO 0.35 0.94 -0.11 -0.67 -1.33 0.00 0.00 177.39 176.57 1ekj n ASP 172 N -1.16 -2.24 -4.70 -1.43 4.64 -1.04 -4.86 116.55 105.76 1ekj n ASP 172 Ca 0.16 -1.05 -0.42 0.00 -1.38 0.00 0.00 54.79 52.10 1ekj n ASP 172 Cb 0.68 -1.91 -0.03 0.00 -1.04 0.00 0.00 41.12 38.82 1ekj n ASP 172 CO 0.00 0.00 0.00 -0.36 -0.82 0.00 0.00 177.20 176.02 1ekj s PHE 173 N -3.17 3.17 0.51 -0.67 0.40 -1.21 -5.01 117.98 112.00 1ekj s PHE 173 Ca 0.75 1.08 -0.01 0.00 -0.60 0.00 0.00 56.93 58.15 1ekj s PHE 173 Cb -0.43 -3.53 0.01 0.00 0.51 0.00 0.00 43.02 39.57 1ekj s PHE 173 CO 0.92 -1.81 0.76 -0.65 0.70 0.00 0.00 175.22 175.14 1ekj s GLN 174 N 1.75 2.92 0.24 0.44 -1.52 -1.26 -4.76 119.66 117.47 1ekj s GLN 174 Ca 0.60 -0.40 -0.31 0.00 -1.95 0.00 0.00 55.36 53.31 1ekj s GLN 174 Cb -0.30 -2.46 -0.11 0.00 -0.22 0.00 0.00 33.01 29.92 1ekj s GLN 174 CO 0.27 -0.48 1.58 -1.25 -0.25 0.00 0.00 175.29 175.16 1ekj s PRO 175 N -4.72 4.17 0.00 2.91 0.04 -1.26 -1.93 135.00 134.21 1ekj s PRO 175 Ca 0.51 2.49 0.00 0.00 0.04 0.00 0.00 61.00 64.04 1ekj s PRO 175 Cb -0.10 -3.07 0.00 0.00 0.04 0.00 0.00 34.50 31.36 1ekj s PRO 175 CO 0.40 -0.61 0.00 0.41 0.04 0.00 0.00 177.00 177.24 1ekj n GLY 176 N 2.80 0.60 0.11 0.56 0.00 -1.26 -4.93 105.19 103.07 1ekj n GLY 176 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 1ekj n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ekj h GLU 177 N 3.62 0.21 -3.34 1.61 5.08 -1.75 -3.19 114.58 116.81 1ekj h GLU 177 Ca 0.00 -0.36 -0.28 0.00 -1.00 0.00 0.00 59.36 57.72 1ekj h GLU 177 Cb 0.00 0.13 -0.34 0.00 0.50 0.00 0.00 28.75 29.05 1ekj h GLU 177 CO 0.00 1.04 -0.66 0.00 -1.00 0.00 0.00 179.01 178.39 1ekj s ALA 178 N -2.61 -0.08 -0.36 3.43 0.00 -1.26 -2.72 121.76 118.15 1ekj s ALA 178 Ca -0.10 0.49 -0.26 0.00 0.00 0.00 0.00 51.96 52.09 1ekj s ALA 178 Cb 0.07 -0.43 0.01 0.00 0.00 0.00 0.00 23.12 22.77 1ekj s ALA 178 CO 0.84 -0.21 0.94 0.12 0.00 0.00 0.00 175.76 177.44 1ekj s PHE 179 N 1.34 3.09 -0.01 0.00 5.36 -0.38 -4.94 117.98 122.45 1ekj s PHE 179 Ca -0.07 0.83 0.03 0.00 -0.96 0.00 0.00 56.93 56.76 1ekj s PHE 179 Cb -0.12 -3.63 -0.03 0.00 -0.34 0.00 0.00 43.02 38.89 1ekj s PHE 179 CO -0.05 -0.81 -0.07 0.08 -1.46 0.00 0.00 175.22 172.92 1ekj s VAL 180 N 3.47 3.65 -0.09 3.12 1.01 -1.26 -1.27 120.40 129.03 1ekj s VAL 180 Ca 0.39 -0.72 0.03 0.00 0.00 0.00 0.00 61.98 61.68 1ekj s VAL 180 Cb -0.12 -2.57 0.01 0.00 0.00 0.00 0.00 36.38 33.69 1ekj s VAL 180 CO 0.18 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 174.82 1ekj s VAL 181 N -0.96 1.78 -0.05 2.92 1.01 0.34 -4.97 120.40 120.47 1ekj s VAL 181 Ca 0.16 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.32 1ekj s VAL 181 Cb -0.11 -1.56 0.01 0.00 0.00 0.00 0.00 36.38 34.71 1ekj s VAL 181 CO 0.06 0.50 -0.13 -0.13 0.00 0.00 0.00 175.10 175.40 1ekj s ARG 182 N 0.50 1.58 0.36 2.72 0.52 -1.26 -1.86 118.95 121.51 1ekj s ARG 182 Ca -0.16 -0.44 -0.10 0.00 -0.52 0.00 0.00 55.73 54.50 1ekj s ARG 182 Cb -0.17 -1.34 0.03 0.00 0.52 0.00 0.00 34.95 33.99 1ekj s ARG 182 CO 0.06 0.10 0.65 0.54 0.02 0.00 0.00 175.30 176.67 1ekj s ASN 183 N 0.41 0.37 0.06 0.23 2.20 -1.09 -4.80 114.94 112.32 1ekj s ASN 183 Ca -0.10 -1.26 -0.31 0.00 -0.94 0.00 0.00 52.86 50.26 1ekj s ASN 183 Cb -0.13 0.76 -0.08 0.00 -2.00 0.00 0.00 41.25 39.80 1ekj s ASN 183 CO 0.03 -1.50 1.58 -0.69 -2.94 0.00 0.00 177.10 173.58 1ekj s VAL 184 N -2.73 3.19 -1.95 3.54 1.01 -1.26 -1.04 120.40 121.16 1ekj s VAL 184 Ca 0.22 0.64 0.00 0.00 0.00 0.00 0.00 61.98 62.84 1ekj s VAL 184 Cb -0.03 -3.41 0.00 0.00 0.00 0.00 0.00 36.38 32.94 1ekj s VAL 184 CO 0.15 0.00 0.00 0.00 0.00 0.00 0.00 175.10 175.25 1ekj n ALA 185 N 5.43 -0.46 -4.36 5.51 0.00 -1.26 -3.55 120.51 121.82 1ekj n ALA 185 Ca 0.15 0.24 -0.34 0.00 0.00 0.00 0.00 53.44 53.49 1ekj n ALA 185 Cb 0.41 -2.09 -0.09 0.00 0.00 0.00 0.00 19.45 17.68 1ekj n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ekj n ASN 186 N -1.60 0.13 -4.83 0.00 6.94 -1.05 -4.87 115.26 109.98 1ekj n ASN 186 Ca -0.22 -1.25 -0.36 0.00 -0.02 0.00 0.00 54.58 52.72 1ekj n ASN 186 Cb 0.68 -1.57 -0.06 0.00 -2.36 0.00 0.00 39.78 36.47 1ekj n ASN 186 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1ekj s LEU 187 N -7.28 4.36 -0.26 -4.53 1.43 -1.23 -4.81 118.68 106.36 1ekj s LEU 187 Ca 0.24 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.57 1ekj s LEU 187 Cb -0.14 -3.33 0.05 0.00 0.03 0.00 0.00 46.19 42.80 1ekj s LEU 187 CO 0.99 0.10 -0.09 -0.69 0.23 0.00 0.00 176.35 176.89 1ekj s VAL 188 N -1.44 2.40 0.48 -1.59 1.01 -1.26 -4.97 120.40 115.03 1ekj s VAL 188 Ca 0.38 -1.46 -0.09 0.00 0.00 0.00 0.00 61.98 60.82 1ekj s VAL 188 Cb -0.16 -2.35 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1ekj s VAL 188 CO 0.20 0.03 0.84 -2.16 0.00 0.00 0.00 175.10 174.01 1ekj s PRO 189 N 1.17 3.66 0.94 2.72 0.04 -1.26 -4.58 135.00 137.70 1ekj s PRO 189 Ca -0.06 0.44 -0.11 0.00 0.04 0.00 0.00 61.00 61.31 1ekj s PRO 189 Cb -0.19 -2.31 0.16 0.00 0.04 0.00 0.00 34.50 32.20 1ekj s PRO 189 CO -0.05 -0.22 1.11 -1.25 0.04 0.00 0.00 177.00 176.63 1ekj s PRO 190 N -4.47 0.82 0.08 0.56 0.04 -1.26 -4.81 135.00 125.96 1ekj s PRO 190 Ca 0.51 1.26 -0.36 0.00 0.04 0.00 0.00 61.00 62.45 1ekj s PRO 190 Cb -0.10 -1.73 -0.16 0.00 0.04 0.00 0.00 34.50 32.56 1ekj s PRO 190 CO 0.41 -2.67 1.46 0.98 0.04 0.00 0.00 177.00 177.22 1ekj n TYR 191 N -4.23 1.82 -3.15 0.56 9.36 -1.26 -4.90 117.16 115.36 1ekj n TYR 191 Ca 0.09 0.49 0.05 0.00 3.32 0.00 0.00 57.90 61.85 1ekj n TYR 191 Cb 0.53 -2.42 -0.00 0.00 -0.63 0.00 0.00 39.34 36.82 1ekj n TYR 191 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1ekj s ASP 192 N 0.94 -0.61 0.47 2.98 -1.08 -1.26 -5.03 116.67 113.07 1ekj s ASP 192 Ca 0.84 0.08 0.21 0.00 -0.52 0.00 0.00 52.55 53.15 1ekj s ASP 192 Cb -0.86 1.39 1.16 0.00 -1.46 0.00 0.00 42.92 43.15 1ekj s ASP 192 CO 0.45 -0.11 2.00 1.56 0.52 0.00 0.00 175.17 179.58 1ekj h GLN 193 N 7.39 0.00 0.16 4.34 4.20 -1.92 0.46 115.11 129.74 1ekj h GLN 193 Ca -0.08 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.39 1ekj h GLN 193 Cb 1.18 0.00 0.02 0.00 0.30 0.00 0.00 27.48 28.98 1ekj h GLN 193 CO -0.06 0.19 -1.08 0.00 -0.67 0.00 0.00 178.83 177.21 1ekj h ALA 194 N 1.81 -0.06 0.00 3.87 0.00 -2.01 -3.35 119.26 119.53 1ekj h ALA 194 Ca -0.00 -0.81 0.00 0.00 0.00 0.00 0.00 54.91 54.10 1ekj h ALA 194 Cb 0.40 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1ekj h ALA 194 CO 0.02 0.53 -1.39 1.63 0.00 0.00 0.00 179.25 180.05 1ekj n LYS 195 N -3.99 0.68 -1.91 0.00 5.02 -1.20 -4.65 118.16 112.11 1ekj n LYS 195 Ca -0.17 -0.09 0.01 0.00 -2.02 0.00 0.00 58.31 56.04 1ekj n LYS 195 Cb 0.90 -1.43 0.05 0.00 -0.02 0.00 0.00 35.03 34.54 1ekj n LYS 195 CO 0.00 0.00 0.00 0.66 -0.52 0.00 0.00 177.40 177.54 1ekj n TYR 196 N -1.81 0.65 -0.28 2.13 0.53 0.15 -4.86 117.16 113.67 1ekj n TYR 196 Ca 0.00 -1.31 0.22 0.00 -1.02 0.00 0.00 57.90 55.80 1ekj n TYR 196 Cb 0.40 -0.20 0.54 0.00 -1.03 0.00 0.00 39.34 39.05 1ekj n TYR 196 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 1ekj h ALA 197 N 1.65 2.32 0.35 -0.72 0.00 -1.68 -1.88 119.26 119.30 1ekj h ALA 197 Ca -0.13 0.03 -0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ekj h ALA 197 Cb 1.56 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.33 1ekj h ALA 197 CO 0.17 -0.65 -0.39 0.78 0.00 0.00 0.00 179.25 179.16 1ekj h GLY 198 N 0.35 -0.90 0.95 0.00 0.00 -1.91 0.35 103.07 101.91 1ekj h GLY 198 Ca 0.52 0.45 -0.00 0.00 0.00 0.00 0.00 47.33 48.30 1ekj h GLY 198 CO -0.20 -0.31 0.10 -0.84 0.00 0.00 0.00 176.54 175.29 1ekj h THR 199 N -0.77 1.10 -0.88 4.70 2.02 -1.82 -2.82 112.91 114.44 1ekj h THR 199 Ca -0.02 -0.26 0.02 0.00 0.77 0.00 0.00 66.41 66.92 1ekj h THR 199 Cb 0.70 0.93 -0.05 0.00 -1.74 0.00 0.00 68.15 68.00 1ekj h THR 199 CO -0.08 0.09 0.58 1.23 0.37 0.00 0.00 175.52 177.70 1ekj h GLY 200 N 0.20 1.25 1.25 2.16 0.00 -1.16 -1.47 103.07 105.31 1ekj h GLY 200 Ca 0.07 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 46.87 1ekj h GLY 200 CO -0.01 0.42 0.05 0.00 0.00 0.00 0.00 176.54 177.00 1ekj h ALA 201 N 1.34 1.04 -0.28 3.60 0.00 -0.23 -0.37 119.26 124.36 1ekj h ALA 201 Ca 0.33 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ekj h ALA 201 Cb -0.08 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1ekj h ALA 201 CO -0.09 0.61 -0.05 0.00 0.00 0.00 0.00 179.25 179.72 1ekj h ALA 202 N 1.19 0.38 -0.54 0.00 0.00 -1.17 -0.60 119.26 118.52 1ekj h ALA 202 Ca 0.17 -0.26 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1ekj h ALA 202 Cb 0.43 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 1ekj h ALA 202 CO 0.02 0.18 0.20 0.82 0.00 0.00 0.00 179.25 180.46 1ekj h ILE 203 N 0.29 1.22 -0.10 0.00 2.04 -1.16 -1.37 117.51 118.43 1ekj h ILE 203 Ca 0.07 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.22 1ekj h ILE 203 Cb 0.51 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.27 1ekj h ILE 203 CO 0.02 0.27 0.06 -0.08 0.00 0.00 0.00 178.15 178.42 1ekj h GLU 204 N 0.73 0.12 -0.62 2.37 4.81 -0.93 -0.49 114.58 120.57 1ekj h GLU 204 Ca 0.18 -0.01 -0.02 0.00 -0.13 0.00 0.00 59.36 59.38 1ekj h GLU 204 Cb 0.23 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.55 1ekj h GLU 204 CO -0.01 0.08 0.30 -0.92 -0.73 0.00 0.00 179.01 177.72 1ekj h TYR 205 N 0.12 0.90 0.65 0.92 3.20 -1.03 0.64 116.97 122.38 1ekj h TYR 205 Ca 0.04 -0.05 -0.03 0.00 3.14 0.00 0.00 58.73 61.83 1ekj h TYR 205 Cb -0.00 -0.28 0.01 0.00 1.54 0.00 0.00 36.73 37.99 1ekj h TYR 205 CO -0.08 0.68 -0.31 0.00 -1.64 0.00 0.00 178.16 176.81 1ekj h ALA 206 N 1.13 -0.88 0.10 1.82 0.00 -1.03 -0.24 119.26 120.17 1ekj h ALA 206 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 1ekj h ALA 206 Cb 0.12 0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1ekj h ALA 206 CO -0.03 -0.89 -0.05 0.28 0.00 0.00 0.00 179.25 178.57 1ekj h VAL 207 N -1.09 1.02 0.00 0.00 2.07 -1.10 0.11 116.25 117.26 1ekj h VAL 207 Ca -0.09 -0.49 -0.25 0.00 0.82 0.00 0.00 66.70 66.69 1ekj h VAL 207 Cb 0.71 1.34 -0.04 0.00 -1.52 0.00 0.00 31.29 31.78 1ekj h VAL 207 CO 0.15 0.12 -1.38 -0.07 0.02 0.00 0.00 177.57 176.40 1ekj h LEU 208 N -0.36 0.00 0.00 2.57 3.38 -0.99 -3.17 115.31 116.74 1ekj h LEU 208 Ca -0.01 -0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.57 1ekj h LEU 208 Cb 0.30 -0.00 -0.06 0.00 0.09 0.00 0.00 40.66 40.99 1ekj h LEU 208 CO 0.02 1.00 -2.25 1.41 0.09 0.00 0.00 178.44 178.71 1ekj n HIS 209 N -3.19 0.08 0.88 1.13 8.25 -0.53 -4.52 115.22 117.33 1ekj n HIS 209 Ca -0.09 0.04 0.13 0.00 -0.26 0.00 0.00 57.72 57.54 1ekj n HIS 209 Cb 1.00 -0.94 0.44 0.00 1.12 0.00 0.00 29.99 31.61 1ekj n HIS 209 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ekj n LEU 210 N -4.29 0.35 -3.64 2.41 4.77 -0.21 -4.96 117.00 111.42 1ekj n LEU 210 Ca -0.48 0.36 -0.22 0.00 -0.03 0.00 0.00 56.01 55.64 1ekj n LEU 210 Cb 0.82 -0.37 0.06 0.00 -2.33 0.00 0.00 43.42 41.60 1ekj n LEU 210 CO 0.06 -0.01 0.08 0.29 -1.33 0.00 0.00 177.39 176.49 1ekj n LYS 211 N -1.71 -6.18 -0.69 3.23 4.76 0.33 -4.68 118.16 113.22 1ekj n LYS 211 Ca 0.06 0.73 -0.30 0.00 -2.87 0.00 0.00 58.31 55.92 1ekj n LYS 211 Cb 0.37 -5.59 0.19 0.00 -1.84 0.00 0.00 35.03 28.16 1ekj n LYS 211 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 1ekj s VAL 212 N -3.44 2.14 -0.04 -0.18 -7.23 -0.88 -4.94 120.40 105.84 1ekj s VAL 212 Ca 0.25 0.04 0.13 0.00 -1.81 0.00 0.00 61.98 60.60 1ekj s VAL 212 Cb -0.12 -2.12 -0.21 0.00 0.56 0.00 0.00 36.38 34.50 1ekj s VAL 212 CO 0.77 -0.06 0.30 -1.20 -0.31 0.00 0.00 175.10 174.61 1ekj n SER 213 N -4.41 1.91 -4.08 4.85 7.64 0.79 -4.75 113.62 115.57 1ekj n SER 213 Ca 0.09 -0.03 -0.11 0.00 1.01 0.00 0.00 58.87 59.83 1ekj n SER 213 Cb 0.53 1.59 -0.11 0.00 -1.01 0.00 0.00 64.21 65.21 1ekj n SER 213 CO 0.00 0.00 0.00 0.20 -3.01 0.00 0.00 175.04 172.23 1ekj s ASN 214 N -3.50 0.81 -0.15 6.43 0.01 -0.48 -0.06 114.94 118.00 1ekj s ASN 214 Ca -0.05 -0.70 -0.02 0.00 -0.71 0.00 0.00 52.86 51.38 1ekj s ASN 214 Cb 0.09 0.08 0.05 0.00 0.41 0.00 0.00 41.25 41.87 1ekj s ASN 214 CO 0.55 -0.32 0.01 -0.63 -1.51 0.00 0.00 177.10 175.20 1ekj s ILE 215 N -2.21 0.59 -0.11 0.60 1.01 -0.29 -1.04 121.20 119.75 1ekj s ILE 215 Ca -0.04 -0.36 0.01 0.00 0.00 0.00 0.00 60.65 60.27 1ekj s ILE 215 Cb -0.04 -0.93 -0.02 0.00 0.01 0.00 0.00 42.46 41.49 1ekj s ILE 215 CO -0.02 0.01 -0.14 -0.69 0.00 0.00 0.00 174.94 174.09 1ekj s VAL 216 N 1.85 2.97 -0.25 2.92 1.01 0.18 -1.43 120.40 127.64 1ekj s VAL 216 Ca 0.01 -0.71 -0.03 0.00 0.00 0.00 0.00 61.98 61.25 1ekj s VAL 216 Cb -0.15 -2.22 0.01 0.00 0.00 0.00 0.00 36.38 34.02 1ekj s VAL 216 CO -0.07 0.54 -0.02 -0.69 0.00 0.00 0.00 175.10 174.86 1ekj s VAL 217 N 0.14 3.27 -0.22 2.92 1.01 -0.63 -0.03 120.40 126.86 1ekj s VAL 217 Ca -0.07 -0.81 -0.03 0.00 0.00 0.00 0.00 61.98 61.07 1ekj s VAL 217 Cb -0.15 -2.62 -0.01 0.00 0.00 0.00 0.00 36.38 33.60 1ekj s VAL 217 CO 0.05 0.23 -0.05 -0.63 0.00 0.00 0.00 175.10 174.69 1ekj s ILE 218 N 1.41 3.27 0.57 2.22 1.01 0.14 -0.87 121.20 128.94 1ekj s ILE 218 Ca 0.02 -0.54 0.08 0.00 0.00 0.00 0.00 60.65 60.21 1ekj s ILE 218 Cb -0.16 -2.49 0.08 0.00 0.01 0.00 0.00 42.46 39.90 1ekj s ILE 218 CO -0.02 0.42 0.79 -0.83 0.00 0.00 0.00 174.94 175.30 1ekj s GLY 219 N 1.46 1.76 0.22 6.18 0.00 -0.59 -4.09 107.32 112.26 1ekj s GLY 219 Ca 0.06 -2.03 -0.18 0.00 0.00 0.00 0.00 44.72 42.56 1ekj s GLY 219 CO -0.04 -1.59 0.56 -2.38 0.00 0.00 0.00 173.10 169.64 1ekj s HIS 220 N -2.69 -0.08 0.47 1.90 -3.43 -1.26 -1.62 115.29 108.58 1ekj s HIS 220 Ca 0.62 -0.29 -0.22 0.00 -0.80 0.00 0.00 55.06 54.37 1ekj s HIS 220 Cb -0.06 0.43 -0.08 0.00 -1.43 0.00 0.00 32.58 31.44 1ekj s HIS 220 CO 0.39 -0.99 1.12 -1.54 -2.00 0.00 0.00 174.74 171.72 1ekj s SER 221 N -2.90 6.21 -1.40 7.38 1.04 -0.12 -3.83 113.70 120.09 1ekj s SER 221 Ca 0.11 2.18 -0.07 0.00 0.48 0.00 0.00 55.95 58.66 1ekj s SER 221 Cb -0.02 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.55 1ekj s SER 221 CO 0.00 -0.88 0.90 0.00 0.98 0.00 0.00 173.24 174.24 1ekj n ALA 222 N -0.63 -1.64 -2.52 5.32 0.00 -1.26 -4.83 120.51 114.95 1ekj n ALA 222 Ca 0.08 0.06 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 1ekj n ALA 222 Cb 0.49 -3.44 -0.02 0.00 0.00 0.00 0.00 19.45 16.49 1ekj n ALA 222 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1ekj h GLY 224 N 9.20 0.47 0.53 0.00 0.00 -1.95 -1.22 103.07 110.10 1ekj h GLY 224 Ca -0.26 -0.17 0.06 0.00 0.00 0.00 0.00 47.33 46.96 1ekj h GLY 224 CO 0.94 0.17 0.12 -1.33 0.00 0.00 0.00 176.54 176.45 1ekj h GLY 225 N 0.45 0.55 1.93 4.60 0.00 -1.95 0.30 103.07 108.96 1ekj h GLY 225 Ca 0.12 -0.06 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1ekj h GLY 225 CO -0.03 -0.01 -0.43 -2.22 0.00 0.00 0.00 176.54 173.84 1ekj h ILE 226 N 0.27 1.32 -0.54 2.60 1.08 -1.90 -1.03 117.51 119.32 1ekj h ILE 226 Ca 0.21 -1.53 -0.04 0.00 -0.39 0.00 0.00 64.86 63.11 1ekj h ILE 226 Cb 0.24 1.78 -0.02 0.00 -3.07 0.00 0.00 36.82 35.74 1ekj h ILE 226 CO -0.24 0.44 0.17 0.50 -0.69 0.00 0.00 178.15 178.32 1ekj h LYS 227 N 0.07 0.84 -0.12 2.37 3.64 -0.04 -1.09 116.57 122.23 1ekj h LYS 227 Ca 0.00 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 59.18 1ekj h LYS 227 Cb 0.80 -0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.49 1ekj h LYS 227 CO 0.06 0.77 -0.01 0.78 -2.27 0.00 0.00 179.45 178.78 1ekj h GLY 228 N 0.74 0.23 -0.10 5.01 0.00 -0.61 -1.07 103.07 107.27 1ekj h GLY 228 Ca 0.17 -0.18 0.21 0.00 0.00 0.00 0.00 47.33 47.54 1ekj h GLY 228 CO -0.00 0.16 0.47 -2.00 0.00 0.00 0.00 176.54 175.17 1ekj h LEU 229 N -0.07 0.49 -0.11 3.11 5.85 -0.97 1.11 115.31 124.71 1ekj h LEU 229 Ca 0.03 0.14 -0.24 0.00 0.84 0.00 0.00 57.88 58.65 1ekj h LEU 229 Cb 0.38 0.07 0.01 0.00 0.37 0.00 0.00 40.66 41.49 1ekj h LEU 229 CO 0.01 0.08 -1.00 -0.07 -0.34 0.00 0.00 178.44 177.12 1ekj h LEU 230 N 0.51 0.59 0.00 2.25 3.38 -0.99 -3.31 115.31 117.74 1ekj h LEU 230 Ca 0.57 -0.49 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1ekj h LEU 230 Cb 1.03 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 1ekj h LEU 230 CO -0.48 1.30 -0.76 0.77 0.09 0.00 0.00 178.44 179.36 1ekj h SER 231 N 0.24 0.00 -3.69 -0.43 4.64 0.17 -3.45 113.55 111.02 1ekj h SER 231 Ca -0.10 0.00 -0.51 0.00 -0.47 0.00 0.00 61.79 60.72 1ekj h SER 231 Cb 1.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.74 1ekj h SER 231 CO 0.18 0.06 0.44 -0.36 -0.87 0.00 0.00 176.83 176.27 1ekj s PHE 232 N -3.28 3.70 0.19 4.77 2.99 0.37 -4.97 117.98 121.76 1ekj s PHE 232 Ca 0.01 1.73 0.01 0.00 0.00 0.00 0.00 56.93 58.69 1ekj s PHE 232 Cb 0.08 -3.19 0.10 0.00 0.00 0.00 0.00 43.02 40.02 1ekj s PHE 232 CO 0.76 -0.26 1.46 -1.00 -0.00 0.00 0.00 175.22 176.18 1ekj h PRO 233 N 4.47 0.30 -6.38 0.24 0.13 -1.88 -3.47 132.00 125.41 1ekj h PRO 233 Ca -0.45 -0.25 -0.47 0.00 -0.87 0.00 0.00 66.00 63.96 1ekj h PRO 233 Cb 1.21 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 1ekj h PRO 233 CO 0.69 0.90 -0.89 1.19 -0.23 0.00 0.00 178.00 179.67 1ekj n PHE 234 N -3.80 -1.74 -0.69 1.56 3.01 -1.26 -4.87 117.46 109.68 1ekj n PHE 234 Ca -0.04 0.71 0.07 0.00 1.01 0.00 0.00 57.45 59.21 1ekj n PHE 234 Cb 0.70 -3.81 0.19 0.00 -0.01 0.00 0.00 39.48 36.56 1ekj n PHE 234 CO 0.00 0.00 0.00 -0.40 1.01 0.00 0.00 176.76 177.37 1ekj n ASP 235 N -2.94 3.24 0.00 4.37 5.68 -1.26 -4.94 116.55 120.70 1ekj n ASP 235 Ca -0.27 -2.65 0.00 0.00 -0.50 0.00 0.00 54.79 51.37 1ekj n ASP 235 Cb 0.67 -0.39 0.00 0.00 -1.14 0.00 0.00 41.12 40.26 1ekj n ASP 235 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ekj n GLY 236 N -0.34 2.69 3.88 6.12 0.00 -1.26 -5.06 105.19 111.21 1ekj n GLY 236 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 1ekj n GLY 236 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ekj s THR 237 N -2.61 5.50 0.15 2.61 -4.23 -1.26 -5.10 115.64 110.69 1ekj s THR 237 Ca 0.00 0.19 0.09 0.00 -1.18 0.00 0.00 61.69 60.79 1ekj s THR 237 Cb 0.00 -3.40 -0.04 0.00 1.34 0.00 0.00 72.50 70.40 1ekj s THR 237 CO 0.00 0.61 -0.19 -0.31 -0.54 0.00 0.00 174.62 174.18 1ekj s TYR 238 N -1.04 1.84 -0.01 3.99 1.51 -1.26 -4.61 117.35 117.77 1ekj s TYR 238 Ca 0.16 -0.45 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1ekj s TYR 238 Cb -0.12 -0.94 0.02 0.00 -0.11 0.00 0.00 41.96 40.81 1ekj s TYR 238 CO 0.05 0.30 0.74 -1.13 -1.11 0.00 0.00 175.55 174.40 1ekj n SER 239 N 0.51 0.56 -4.20 2.29 3.41 -1.26 -5.06 113.62 109.88 1ekj n SER 239 Ca -0.15 -1.53 -0.13 0.00 -0.26 0.00 0.00 58.87 56.79 1ekj n SER 239 Cb 0.56 -0.07 -0.10 0.00 -0.26 0.00 0.00 64.21 64.34 1ekj n SER 239 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1ekj s THR 240 N -0.40 0.96 0.04 6.66 -4.23 -1.26 -5.05 115.64 112.35 1ekj s THR 240 Ca 0.02 -1.84 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 1ekj s THR 240 Cb 0.02 -1.59 -0.34 0.00 1.34 0.00 0.00 72.50 71.94 1ekj s THR 240 CO 0.00 -0.69 1.02 0.44 -0.54 0.00 0.00 174.62 174.85 1ekj h ASP 241 N 3.18 0.73 0.00 3.99 3.32 -2.04 -3.44 116.42 122.15 1ekj h ASP 241 Ca -0.37 -0.79 0.00 0.00 0.02 0.00 0.00 57.03 55.89 1ekj h ASP 241 Cb 1.18 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.50 1ekj h ASP 241 CO 0.59 1.62 -0.46 0.49 -1.72 0.00 0.00 179.24 179.76 1ekj n PHE 242 N -3.66 0.00 -0.21 4.55 3.01 -1.26 -4.81 117.46 115.08 1ekj n PHE 242 Ca -0.15 0.00 -0.02 0.00 1.01 0.00 0.00 57.45 58.29 1ekj n PHE 242 Cb 1.08 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 40.60 1ekj n PHE 242 CO 0.00 0.00 0.00 0.82 1.01 0.00 0.00 176.76 178.59 1ekj h ILE 243 N 0.00 0.31 -0.74 4.37 2.04 -1.99 -0.14 117.51 121.35 1ekj h ILE 243 Ca 0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 1ekj h ILE 243 Cb 0.46 0.31 -0.03 0.00 -0.74 0.00 0.00 36.82 36.82 1ekj h ILE 243 CO 0.00 0.00 0.22 -0.33 0.00 0.00 0.00 178.15 178.04 1ekj h GLU 244 N -0.05 1.16 -0.69 2.37 5.08 -1.90 -1.35 114.58 119.20 1ekj h GLU 244 Ca 0.28 -0.26 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 1ekj h GLU 244 Cb 0.49 -0.17 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1ekj h GLU 244 CO -0.66 0.99 0.39 0.93 -1.00 0.00 0.00 179.01 179.66 1ekj h GLU 245 N 1.11 0.95 0.07 2.33 4.39 -1.49 -2.55 114.58 119.39 1ekj h GLU 245 Ca 0.24 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.83 1ekj h GLU 245 Cb 0.32 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1ekj h GLU 245 CO -0.01 0.70 -0.03 2.35 -1.16 0.00 0.00 179.01 180.86 1ekj h TRP 246 N 0.94 -0.08 0.00 4.33 2.91 -0.95 -3.28 115.95 119.82 1ekj h TRP 246 Ca 0.24 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.26 1ekj h TRP 246 Cb 0.02 0.03 0.00 0.00 -0.51 0.00 0.00 29.16 28.69 1ekj h TRP 246 CO -0.01 0.47 0.00 1.33 -1.03 0.00 0.00 178.44 179.20 1ekj n VAL 247 N -4.84 0.13 0.32 2.65 0.24 -0.52 -2.33 118.33 113.98 1ekj n VAL 247 Ca -0.08 0.03 0.15 0.00 -2.04 0.00 0.00 64.34 62.40 1ekj n VAL 247 Cb 0.29 -0.78 0.59 0.00 -1.47 0.00 0.00 33.84 32.48 1ekj n VAL 247 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1ekj h LYS 248 N 0.00 0.00 -0.96 7.34 2.10 -1.51 -2.50 116.57 121.04 1ekj h LYS 248 Ca 0.00 0.00 0.20 0.00 -2.00 0.00 0.00 60.65 58.85 1ekj h LYS 248 Cb 0.03 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.28 1ekj h LYS 248 CO 0.00 0.00 0.61 0.82 -2.00 0.00 0.00 179.45 178.88 1ekj h ILE 249 N 0.00 0.70 -0.21 0.07 2.04 -1.69 -0.80 117.51 117.62 1ekj h ILE 249 Ca 0.00 -0.21 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1ekj h ILE 249 Cb 0.50 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 36.62 1ekj h ILE 249 CO 0.00 0.11 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1ekj n GLY 250 N -1.42 1.88 0.27 5.37 0.00 -0.94 -4.29 105.19 106.06 1ekj n GLY 250 Ca 0.21 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.90 1ekj n GLY 250 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1ekj h LEU 251 N 1.43 0.52 -1.68 0.99 3.38 -1.32 -2.16 115.31 116.48 1ekj h LEU 251 Ca 0.00 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 57.85 1ekj h LEU 251 Cb 0.97 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.57 1ekj h LEU 251 CO 0.16 0.60 0.07 1.55 0.09 0.00 0.00 178.44 180.92 1ekj h PRO 252 N 0.53 0.28 -0.31 1.13 0.13 -1.83 0.24 132.00 132.17 1ekj h PRO 252 Ca 0.11 -0.03 -0.18 0.00 -0.87 0.00 0.00 66.00 65.03 1ekj h PRO 252 Cb 0.36 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.43 1ekj h PRO 252 CO 0.01 0.25 -0.51 0.00 -0.23 0.00 0.00 178.00 177.52 1ekj h ALA 253 N 1.80 0.50 -0.67 -0.56 0.00 -1.71 -1.61 119.26 117.01 1ekj h ALA 253 Ca 0.07 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.43 1ekj h ALA 253 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1ekj h ALA 253 CO -0.01 0.68 0.23 -0.22 0.00 0.00 0.00 179.25 179.93 1ekj h LYS 254 N 0.69 1.03 -0.66 0.00 3.64 -0.77 -0.46 116.57 120.04 1ekj h LYS 254 Ca 0.03 -0.21 -0.06 0.00 -1.27 0.00 0.00 60.65 59.14 1ekj h LYS 254 Cb 1.12 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.75 1ekj h LYS 254 CO 0.12 0.88 0.19 0.00 -2.27 0.00 0.00 179.45 178.36 1ekj h ALA 255 N 1.10 0.87 0.47 5.00 0.00 -0.86 -0.13 119.26 125.71 1ekj h ALA 255 Ca 0.22 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ekj h ALA 255 Cb 0.27 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.81 1ekj h ALA 255 CO -0.01 0.56 -0.23 -0.22 0.00 0.00 0.00 179.25 179.35 1ekj h LYS 256 N 0.97 -0.61 -0.91 0.00 3.64 -0.97 -2.41 116.57 116.28 1ekj h LYS 256 Ca 0.21 0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.65 1ekj h LYS 256 Cb 0.33 0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 32.24 1ekj h LYS 256 CO -0.00 -0.31 0.60 -0.39 -2.27 0.00 0.00 179.45 177.08 1ekj h VAL 257 N -0.87 1.21 0.00 2.00 -1.51 -1.05 0.26 116.25 116.30 1ekj h VAL 257 Ca -0.06 -0.42 -0.08 0.00 -1.23 0.00 0.00 66.70 64.91 1ekj h VAL 257 Cb 0.58 -0.10 -0.01 0.00 -2.13 0.00 0.00 31.29 29.62 1ekj h VAL 257 CO 0.11 0.22 -0.39 0.11 -1.23 0.00 0.00 177.57 176.39 1ekj h LYS 258 N 1.21 0.00 0.00 5.19 1.57 -1.03 0.33 116.57 123.84 1ekj h LYS 258 Ca 0.34 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.06 1ekj h LYS 258 Cb -0.10 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.20 1ekj h LYS 258 CO -0.08 0.39 -0.94 0.00 -0.57 0.00 0.00 179.45 178.25 1ekj h ALA 259 N 1.61 0.63 0.00 3.86 0.00 -0.85 -3.00 119.26 121.50 1ekj h ALA 259 Ca -0.00 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.47 1ekj h ALA 259 Cb 0.71 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.55 1ekj h ALA 259 CO 0.05 0.35 -1.89 1.04 0.00 0.00 0.00 179.25 178.80 1ekj n GLN 260 N -2.86 0.65 -2.70 0.00 6.02 0.02 -4.61 117.38 113.90 1ekj n GLN 260 Ca -0.02 -0.04 -0.07 0.00 -0.01 0.00 0.00 57.00 56.86 1ekj n GLN 260 Cb 0.66 -1.61 0.04 0.00 1.02 0.00 0.00 30.24 30.35 1ekj n GLN 260 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1ekj n HIS 261 N -2.55 1.00 0.17 1.08 8.25 0.09 -4.96 115.22 118.30 1ekj n HIS 261 Ca -0.12 -2.61 0.09 0.00 -0.26 0.00 0.00 57.72 54.81 1ekj n HIS 261 Cb 0.78 -0.25 0.60 0.00 1.12 0.00 0.00 29.99 32.23 1ekj n HIS 261 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ekj h GLY 262 N 2.86 0.13 -2.75 -1.41 0.00 -1.66 -2.68 103.07 97.57 1ekj h GLY 262 Ca -0.12 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1ekj h GLY 262 CO 0.41 0.04 0.00 2.09 0.00 0.00 0.00 176.54 179.08 1ekj n ASP 263 N -4.51 4.23 -4.88 0.19 5.68 -1.26 -4.94 116.55 111.06 1ekj n ASP 263 Ca 0.00 -2.46 -0.31 0.00 -0.50 0.00 0.00 54.79 51.52 1ekj n ASP 263 Cb 0.15 -0.56 -0.05 0.00 -1.14 0.00 0.00 41.12 39.53 1ekj n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ekj s ALA 264 N -1.95 3.49 0.55 2.12 0.00 -1.01 -5.06 121.76 119.89 1ekj s ALA 264 Ca 0.43 -0.26 -0.21 0.00 0.00 0.00 0.00 51.96 51.92 1ekj s ALA 264 Cb 0.29 -2.52 -0.05 0.00 0.00 0.00 0.00 23.12 20.84 1ekj s ALA 264 CO 0.19 0.31 1.24 -2.14 0.00 0.00 0.00 175.76 175.35 1ekj s PRO 265 N -3.22 3.20 0.34 0.00 0.02 -1.26 -4.75 135.00 129.32 1ekj s PRO 265 Ca 0.49 1.93 0.14 0.00 0.02 0.00 0.00 61.00 63.57 1ekj s PRO 265 Cb -0.11 -2.13 1.08 0.00 0.02 0.00 0.00 34.50 33.37 1ekj s PRO 265 CO 0.24 -1.05 1.65 0.35 -0.33 0.00 0.00 177.00 177.86 1ekj h PHE 266 N 1.31 0.84 -0.39 6.54 3.57 -1.99 0.66 116.94 127.49 1ekj h PHE 266 Ca -0.50 0.04 0.03 0.00 3.53 0.00 0.00 57.97 61.06 1ekj h PHE 266 Cb 1.29 -0.21 -0.03 0.00 2.79 0.00 0.00 35.95 39.79 1ekj h PHE 266 CO 0.48 -0.23 0.20 0.00 -2.23 0.00 0.00 178.31 176.53 1ekj h ALA 267 N 1.87 0.48 -0.17 2.41 0.00 -2.00 -1.34 119.26 120.51 1ekj h ALA 267 Ca 0.73 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 55.64 1ekj h ALA 267 Cb 1.69 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.41 1ekj h ALA 267 CO -0.64 -0.16 0.07 0.93 0.00 0.00 0.00 179.25 179.45 1ekj h GLU 268 N 0.41 0.25 -0.67 0.00 5.08 -1.25 -2.83 114.58 115.57 1ekj h GLU 268 Ca 0.16 -0.05 0.13 0.00 -1.00 0.00 0.00 59.36 58.61 1ekj h GLU 268 Cb 0.06 -0.04 -0.10 0.00 0.50 0.00 0.00 28.75 29.17 1ekj h GLU 268 CO -0.11 0.33 0.17 -0.07 -1.00 0.00 0.00 179.01 178.33 1ekj h LEU 269 N 0.12 0.04 -0.32 1.33 -0.00 -0.99 0.21 115.31 115.69 1ekj h LEU 269 Ca 0.06 0.12 0.03 0.00 -0.00 0.00 0.00 57.88 58.09 1ekj h LEU 269 Cb 0.18 0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.96 1ekj h LEU 269 CO -0.00 0.01 0.13 0.00 -0.00 0.00 0.00 178.44 178.58 1ekj h THR 271 N 0.29 0.84 -0.46 0.00 2.02 -0.82 0.46 112.91 115.23 1ekj h THR 271 Ca 0.14 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.34 1ekj h THR 271 Cb 0.08 0.84 -0.03 0.00 -1.74 0.00 0.00 68.15 67.30 1ekj h THR 271 CO -0.12 0.00 0.27 0.45 0.37 0.00 0.00 175.52 176.49 1ekj h HIS 272 N -0.00 0.51 -0.45 3.16 -0.00 -0.08 -2.46 115.15 115.83 1ekj h HIS 272 Ca 0.08 0.02 -0.08 0.00 -0.00 0.00 0.00 60.37 60.38 1ekj h HIS 272 Cb 0.12 -0.16 -0.02 0.00 -0.00 0.00 0.00 27.41 27.35 1ekj h HIS 272 CO -0.19 0.29 -0.03 0.00 -0.00 0.00 0.00 177.93 178.01 1ekj h GLU 274 N 0.66 0.86 -0.02 0.00 5.08 0.04 0.91 114.58 122.10 1ekj h GLU 274 Ca 0.12 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1ekj h GLU 274 Cb 0.54 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1ekj h GLU 274 CO 0.03 0.60 -0.08 0.87 -1.00 0.00 0.00 179.01 179.43 1ekj h LYS 275 N 0.87 0.10 0.00 2.33 1.57 -1.33 -2.99 116.57 117.12 1ekj h LYS 275 Ca 0.23 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1ekj h LYS 275 Cb -0.03 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.29 1ekj h LYS 275 CO -0.04 0.71 -0.29 1.49 -0.57 0.00 0.00 179.45 180.75 1ekj h GLU 276 N -0.50 0.00 -0.38 3.15 4.57 -0.90 -1.02 114.58 119.50 1ekj h GLU 276 Ca -0.00 0.00 -0.08 0.00 -1.18 0.00 0.00 59.36 58.10 1ekj h GLU 276 Cb 0.72 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.30 1ekj h GLU 276 CO 0.02 0.29 -0.09 0.00 -1.18 0.00 0.00 179.01 178.05 1ekj h ALA 277 N 1.71 1.13 -0.41 2.92 0.00 0.82 -1.09 119.26 124.34 1ekj h ALA 277 Ca -0.00 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.63 1ekj h ALA 277 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ekj h ALA 277 CO 0.04 0.55 0.27 0.28 0.00 0.00 0.00 179.25 180.38 1ekj h VAL 278 N 0.60 1.11 -0.56 0.00 2.07 -1.04 -1.25 116.25 117.18 1ekj h VAL 278 Ca 0.11 -0.20 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 1ekj h VAL 278 Cb 0.51 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1ekj h VAL 278 CO 0.03 0.10 0.20 0.78 0.02 0.00 0.00 177.57 178.70 1ekj h ASN 279 N 0.55 0.75 -0.44 0.57 2.35 -1.05 -1.22 115.58 117.08 1ekj h ASN 279 Ca 0.15 -0.10 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1ekj h ASN 279 Cb -0.06 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.10 1ekj h ASN 279 CO -0.03 0.69 0.20 0.00 -1.65 0.00 0.00 177.43 176.64 1ekj h ALA 280 N 1.42 0.57 -0.15 -0.83 0.00 -0.72 -0.07 119.26 119.49 1ekj h ALA 280 Ca 0.19 -0.12 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 1ekj h ALA 280 Cb 0.19 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 1ekj h ALA 280 CO -0.01 0.15 -0.14 0.77 0.00 0.00 0.00 179.25 180.02 1ekj h SER 281 N 0.57 0.22 -0.35 0.00 0.02 -0.54 0.11 113.55 113.59 1ekj h SER 281 Ca 0.15 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.88 1ekj h SER 281 Cb 0.14 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ekj h SER 281 CO -0.02 0.39 -0.44 -0.07 -1.14 0.00 0.00 176.83 175.55 1ekj h LEU 282 N 0.22 0.99 -0.09 5.07 3.38 -0.67 -1.73 115.31 122.49 1ekj h LEU 282 Ca 0.05 -0.48 0.03 0.00 0.09 0.00 0.00 57.88 57.56 1ekj h LEU 282 Cb 0.39 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ekj h LEU 282 CO 0.02 1.28 -0.07 1.23 0.09 0.00 0.00 178.44 180.99 1ekj h GLY 283 N 0.75 0.01 1.54 0.83 0.00 -0.00 -2.04 103.07 104.15 1ekj h GLY 283 Ca 0.05 0.09 0.05 0.00 0.00 0.00 0.00 47.33 47.52 1ekj h GLY 283 CO 0.10 -0.08 0.20 3.43 0.00 0.00 0.00 176.54 180.19 1ekj h ASN 284 N -0.08 0.13 0.05 0.19 2.35 -0.62 -0.44 115.58 117.17 1ekj h ASN 284 Ca 0.06 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 1ekj h ASN 284 Cb 0.17 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.50 1ekj h ASN 284 CO -0.14 0.09 -0.11 -0.07 -1.65 0.00 0.00 177.43 175.55 1ekj h LEU 285 N 0.15 0.12 0.00 1.61 3.38 -0.57 -1.73 115.31 118.28 1ekj h LEU 285 Ca 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.08 1ekj h LEU 285 Cb 0.32 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ekj h LEU 285 CO -0.02 0.25 0.00 0.18 0.09 0.00 0.00 178.44 178.94 1ekj n LEU 286 N -4.34 0.00 -0.50 1.67 4.77 -0.17 -1.65 117.00 116.77 1ekj n LEU 286 Ca -0.01 0.15 0.13 0.00 -0.03 0.00 0.00 56.01 56.25 1ekj n LEU 286 Cb 0.22 -0.15 0.49 0.00 -2.33 0.00 0.00 43.42 41.66 1ekj n LEU 286 CO 0.37 -0.05 0.85 0.35 -1.33 0.00 0.00 177.39 177.58 1ekj n THR 287 N -1.15 0.03 -3.54 -5.08 -2.24 -0.65 -4.71 114.28 96.94 1ekj n THR 287 Ca 0.13 -0.27 -0.41 0.00 -2.27 0.00 0.00 64.05 61.23 1ekj n THR 287 Cb 0.12 0.51 -0.11 0.00 -2.10 0.00 0.00 70.33 68.75 1ekj n THR 287 CO 0.00 0.00 0.00 -0.31 -0.57 0.00 0.00 175.07 174.19 1ekj s TYR 288 N -1.97 3.23 0.23 4.78 1.51 -0.66 -4.47 117.35 120.00 1ekj s TYR 288 Ca 0.37 -0.64 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1ekj s TYR 288 Cb 0.21 -2.49 0.29 0.00 -0.11 0.00 0.00 41.96 39.85 1ekj s TYR 288 CO 0.32 -0.55 1.60 -1.35 -1.11 0.00 0.00 175.55 174.47 1ekj h PRO 289 N 8.51 -0.02 0.00 -1.71 0.11 -1.87 0.48 132.00 137.51 1ekj h PRO 289 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 1ekj h PRO 289 Cb 1.13 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1ekj h PRO 289 CO 0.68 -0.01 0.00 0.27 -0.21 0.00 0.00 178.00 178.73 1ekj h PHE 290 N -0.02 0.00 0.12 0.65 -5.15 -1.95 -0.39 116.94 110.20 1ekj h PHE 290 Ca 0.35 0.00 -0.26 0.00 -0.20 0.00 0.00 57.97 57.86 1ekj h PHE 290 Cb 0.55 0.00 0.03 0.00 0.22 0.00 0.00 35.95 36.75 1ekj h PHE 290 CO -0.61 0.00 -1.07 0.28 -2.00 0.00 0.00 178.31 174.91 1ekj h VAL 291 N 0.00 1.35 -0.48 0.88 2.07 -1.22 -2.94 116.25 115.92 1ekj h VAL 291 Ca 0.00 -2.43 -0.02 0.00 0.82 0.00 0.00 66.70 65.07 1ekj h VAL 291 Cb 0.33 2.82 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 1ekj h VAL 291 CO 0.00 0.72 0.21 0.03 0.02 0.00 0.00 177.57 178.56 1ekj h ARG 292 N 0.07 0.71 0.00 1.57 3.08 -0.60 -2.39 114.38 116.82 1ekj h ARG 292 Ca -0.17 -0.12 -0.02 0.00 0.07 0.00 0.00 59.98 59.74 1ekj h ARG 292 Cb 1.78 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.71 1ekj h ARG 292 CO 0.20 0.61 -0.11 1.49 -1.07 0.00 0.00 179.97 181.10 1ekj h GLU 293 N 0.64 0.00 0.00 0.04 4.81 -1.17 -2.00 114.58 116.89 1ekj h GLU 293 Ca 0.16 0.00 -0.21 0.00 -0.13 0.00 0.00 59.36 59.18 1ekj h GLU 293 Cb 0.16 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1ekj h GLU 293 CO -0.02 0.11 -1.12 0.78 -0.73 0.00 0.00 179.01 178.03 1ekj h GLY 294 N 0.62 0.00 1.94 1.92 0.00 -1.30 -2.49 103.07 103.76 1ekj h GLY 294 Ca -0.00 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 47.16 1ekj h GLY 294 CO 0.01 0.00 -0.78 1.41 0.00 0.00 0.00 176.54 177.18 1ekj h LEU 295 N 0.00 0.07 -0.14 3.11 3.38 -0.99 0.16 115.31 120.91 1ekj h LEU 295 Ca -0.09 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.59 1ekj h LEU 295 Cb 1.75 -0.02 0.01 0.00 0.09 0.00 0.00 40.66 42.48 1ekj h LEU 295 CO 0.10 0.82 -0.97 0.58 0.09 0.00 0.00 178.44 179.06 1ekj h VAL 296 N 0.03 1.38 -0.23 1.22 2.07 -1.43 -2.54 116.25 116.76 1ekj h VAL 296 Ca -0.02 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.07 1ekj h VAL 296 Cb 1.37 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 33.57 1ekj h VAL 296 CO 0.11 0.73 0.00 0.59 0.02 0.00 0.00 177.57 179.02 1ekj n ASN 297 N -3.76 1.31 -2.16 0.57 3.02 -0.94 -4.88 115.26 108.42 1ekj n ASN 297 Ca -0.07 -1.93 -0.05 0.00 -0.03 0.00 0.00 54.58 52.50 1ekj n ASN 297 Cb 0.85 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.86 1ekj n ASN 297 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1ekj n LYS 298 N 0.19 -2.33 -0.12 3.52 5.02 -0.61 -4.75 118.16 119.08 1ekj n LYS 298 Ca 0.10 0.23 0.11 0.00 -2.02 0.00 0.00 58.31 56.73 1ekj n LYS 298 Cb 0.22 -4.66 0.30 0.00 -0.02 0.00 0.00 35.03 30.87 1ekj n LYS 298 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1ekj n THR 299 N -2.47 0.32 -3.76 -0.18 -2.24 0.46 -4.88 114.28 101.53 1ekj n THR 299 Ca -0.05 -0.49 -0.13 0.00 -2.27 0.00 0.00 64.05 61.10 1ekj n THR 299 Cb 0.45 0.59 -0.10 0.00 -2.10 0.00 0.00 70.33 69.17 1ekj n THR 299 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1ekj s LEU 300 N -1.51 0.76 0.12 3.22 2.96 -0.85 -4.48 118.68 118.90 1ekj s LEU 300 Ca 0.34 0.47 0.07 0.00 -0.22 0.00 0.00 54.13 54.79 1ekj s LEU 300 Cb 0.19 1.19 -0.04 0.00 0.50 0.00 0.00 46.19 48.04 1ekj s LEU 300 CO 0.28 -0.23 -0.16 0.00 -1.32 0.00 0.00 176.35 174.91 1ekj s ALA 301 N -0.36 1.61 -0.06 5.97 0.00 0.92 -4.27 121.76 125.57 1ekj s ALA 301 Ca -0.05 -1.27 0.05 0.00 0.00 0.00 0.00 51.96 50.70 1ekj s ALA 301 Cb -0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.94 1ekj s ALA 301 CO 0.02 0.20 -0.22 -0.51 0.00 0.00 0.00 175.76 175.24 1ekj s LEU 302 N -2.23 2.02 0.02 0.00 1.02 -1.26 -1.14 118.68 117.10 1ekj s LEU 302 Ca 0.08 -0.47 -0.01 0.00 0.02 0.00 0.00 54.13 53.75 1ekj s LEU 302 Cb -0.07 -1.25 -0.02 0.00 0.02 0.00 0.00 46.19 44.87 1ekj s LEU 302 CO 0.04 0.21 -0.02 -0.54 0.02 0.00 0.00 176.35 176.06 1ekj s LYS 303 N -0.04 0.37 0.18 1.70 1.02 -0.51 -0.04 119.74 122.43 1ekj s LYS 303 Ca -0.05 -0.70 0.06 0.00 0.02 0.00 0.00 55.97 55.30 1ekj s LYS 303 Cb -0.14 0.13 -0.04 0.00 -0.52 0.00 0.00 37.83 37.27 1ekj s LYS 303 CO 0.04 -0.07 0.08 0.20 -0.92 0.00 0.00 175.35 174.68 1ekj s GLY 304 N -1.71 1.69 0.04 -3.33 0.00 0.83 -1.60 107.32 103.24 1ekj s GLY 304 Ca -0.12 -1.32 -0.11 0.00 0.00 0.00 0.00 44.72 43.18 1ekj s GLY 304 CO -0.02 -1.34 0.22 -0.32 0.00 0.00 0.00 173.10 171.65 1ekj s GLY 305 N -3.14 -0.01 -0.11 0.20 0.00 -0.05 -1.50 107.32 102.70 1ekj s GLY 305 Ca 0.30 -0.18 -0.04 0.00 0.00 0.00 0.00 44.72 44.80 1ekj s GLY 305 CO 0.21 -0.37 0.14 -0.47 0.00 0.00 0.00 173.10 172.62 1ekj s TYR 306 N -2.49 -0.10 -0.26 1.90 5.04 -0.27 -1.54 117.35 119.63 1ekj s TYR 306 Ca -0.06 0.34 -0.10 0.00 -2.44 0.00 0.00 57.07 54.82 1ekj s TYR 306 Cb -0.01 -0.38 -0.04 0.00 0.35 0.00 0.00 41.96 41.87 1ekj s TYR 306 CO -0.03 -0.35 0.15 -0.47 -1.34 0.00 0.00 175.55 173.50 1ekj s TYR 307 N 2.25 3.19 -0.70 4.97 5.04 -0.64 -1.24 117.35 130.22 1ekj s TYR 307 Ca 0.04 -0.04 -0.07 0.00 -2.44 0.00 0.00 57.07 54.56 1ekj s TYR 307 Cb -0.13 -2.32 0.18 0.00 0.35 0.00 0.00 41.96 40.04 1ekj s TYR 307 CO -0.07 -0.19 0.56 0.34 -1.34 0.00 0.00 175.55 174.85 1ekj s ASP 308 N 1.62 5.85 0.00 4.32 -1.08 -0.33 -0.94 116.67 126.10 1ekj s ASP 308 Ca 0.07 -2.75 0.22 0.00 -0.52 0.00 0.00 52.55 49.56 1ekj s ASP 308 Cb -0.15 -2.00 1.31 0.00 -1.46 0.00 0.00 42.92 40.61 1ekj s ASP 308 CO 0.08 -0.46 1.69 2.22 0.52 0.00 0.00 175.17 179.22 1ekj n PHE 309 N 3.74 0.00 -0.08 -5.34 1.16 -1.26 0.10 117.46 115.77 1ekj n PHE 309 Ca 0.09 0.00 -0.16 0.00 -1.87 0.00 0.00 57.45 55.51 1ekj n PHE 309 Cb 0.41 0.00 -0.11 0.00 -1.61 0.00 0.00 39.48 38.17 1ekj n PHE 309 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ekj h VAL 310 N 0.00 1.23 0.00 1.97 2.07 -1.93 -3.35 116.25 116.23 1ekj h VAL 310 Ca 0.00 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.38 1ekj h VAL 310 Cb 0.00 2.54 0.00 0.00 -1.52 0.00 0.00 31.29 32.31 1ekj h VAL 310 CO 0.00 0.42 -0.66 0.29 0.02 0.00 0.00 177.57 177.64 1ekj n LYS 311 N -4.54 0.01 -3.17 1.57 4.01 -1.17 -4.98 118.16 109.88 1ekj n LYS 311 Ca -0.19 0.00 -0.15 0.00 -0.51 0.00 0.00 58.31 57.46 1ekj n LYS 311 Cb 0.54 -1.50 0.06 0.00 -0.51 0.00 0.00 35.03 33.62 1ekj n LYS 311 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1ekj n GLY 312 N 1.50 -0.14 3.52 0.72 0.00 0.29 -5.04 105.19 106.03 1ekj n GLY 312 Ca 0.05 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 45.80 1ekj n GLY 312 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ekj s SER 313 N -3.62 3.19 -0.06 1.61 1.04 -0.61 -4.98 113.70 110.28 1ekj s SER 313 Ca 0.21 -1.31 -0.05 0.00 0.48 0.00 0.00 55.95 55.28 1ekj s SER 313 Cb -0.09 -0.25 0.01 0.00 0.10 0.00 0.00 66.02 65.79 1ekj s SER 313 CO 0.53 -0.44 0.15 0.12 0.98 0.00 0.00 173.24 174.59 1ekj s PHE 314 N -2.93 -0.16 0.02 5.02 5.36 -1.26 -1.19 117.98 122.83 1ekj s PHE 314 Ca 0.34 0.40 0.07 0.00 -0.96 0.00 0.00 56.93 56.78 1ekj s PHE 314 Cb 0.07 0.06 -0.02 0.00 -0.34 0.00 0.00 43.02 42.79 1ekj s PHE 314 CO 0.16 -0.09 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.41 1ekj s GLU 315 N 0.05 1.53 0.01 10.12 2.02 -0.38 -4.97 118.70 127.07 1ekj s GLU 315 Ca -0.00 -0.85 0.02 0.00 0.02 0.00 0.00 54.97 54.16 1ekj s GLU 315 Cb -0.01 -1.56 -0.01 0.00 0.10 0.00 0.00 34.13 32.65 1ekj s GLU 315 CO 0.00 0.41 -0.06 -1.17 0.02 0.00 0.00 175.26 174.47 1ekj s LEU 316 N -0.85 2.06 -0.01 1.80 2.96 -1.26 -1.12 118.68 122.27 1ekj s LEU 316 Ca 0.08 -0.19 -0.10 0.00 -0.22 0.00 0.00 54.13 53.69 1ekj s LEU 316 Cb -0.08 -0.25 0.01 0.00 0.50 0.00 0.00 46.19 46.36 1ekj s LEU 316 CO 0.01 0.01 0.20 -1.66 -1.32 0.00 0.00 176.35 173.59 1ekj s TRP 317 N -0.39 -0.05 0.30 5.38 -2.14 -0.57 -5.00 118.94 116.47 1ekj s TRP 317 Ca -0.00 0.04 0.08 0.00 2.66 0.00 0.00 56.10 58.87 1ekj s TRP 317 Cb -0.04 0.01 -0.03 0.00 -3.10 0.00 0.00 33.47 30.31 1ekj s TRP 317 CO -0.00 -0.32 0.21 0.20 -2.66 0.00 0.00 176.95 174.38 1ekj s GLY 318 N -1.32 1.64 -0.10 3.67 0.00 -1.26 -0.12 107.32 109.83 1ekj s GLY 318 Ca -0.14 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.04 1ekj s GLY 318 CO 0.03 -1.56 -0.23 -2.27 0.00 0.00 0.00 173.10 169.06 1ekj s LEU 319 N -3.89 2.12 -0.21 0.66 0.20 0.95 -4.88 118.68 113.62 1ekj s LEU 319 Ca 0.37 -0.55 -0.09 0.00 0.69 0.00 0.00 54.13 54.55 1ekj s LEU 319 Cb -0.06 -1.42 -0.05 0.00 -0.43 0.00 0.00 46.19 44.23 1ekj s LEU 319 CO 0.25 0.16 0.11 -1.61 -0.29 0.00 0.00 176.35 174.97 1ekj s GLU 320 N 0.34 4.03 -0.10 1.98 2.02 -1.26 -4.34 118.70 121.38 1ekj s GLU 320 Ca -0.19 -0.30 -0.08 0.00 0.02 0.00 0.00 54.97 54.43 1ekj s GLU 320 Cb -0.18 -3.38 0.03 0.00 0.10 0.00 0.00 34.13 30.70 1ekj s GLU 320 CO 0.09 0.17 0.25 0.12 0.02 0.00 0.00 175.26 175.91 1ekj s PHE 321 N 0.69 -0.28 0.11 1.61 5.36 -1.26 -5.16 117.98 119.05 1ekj s PHE 321 Ca 0.06 0.69 -0.26 0.00 -0.96 0.00 0.00 56.93 56.46 1ekj s PHE 321 Cb -0.13 0.09 0.07 0.00 -0.34 0.00 0.00 43.02 42.71 1ekj s PHE 321 CO 0.01 -0.15 0.91 0.20 -1.46 0.00 0.00 175.22 174.73 1ekj s GLY 322 N 0.36 -0.31 -0.04 13.12 0.00 -1.26 -4.52 107.32 114.67 1ekj s GLY 322 Ca -0.02 0.38 0.02 0.00 0.00 0.00 0.00 44.72 45.10 1ekj s GLY 322 CO -0.01 0.10 -0.07 1.08 0.00 0.00 0.00 173.10 174.19 1ekj s LEU 323 N -2.80 1.61 -0.03 0.66 1.43 -1.26 -5.08 118.68 113.22 1ekj s LEU 323 Ca 0.09 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.04 1ekj s LEU 323 Cb -0.01 -0.52 0.01 0.00 0.03 0.00 0.00 46.19 45.70 1ekj s LEU 323 CO -0.02 0.02 -0.04 -0.94 0.23 0.00 0.00 176.35 175.60 1ekj s SER 324 N 0.50 0.74 0.22 2.29 1.04 -1.26 -5.09 113.70 112.14 1ekj s SER 324 Ca -0.07 -0.10 -0.30 0.00 0.48 0.00 0.00 55.95 55.95 1ekj s SER 324 Cb -0.11 -0.29 -0.10 0.00 0.10 0.00 0.00 66.02 65.62 1ekj s SER 324 CO 0.01 -0.02 1.43 -0.44 0.98 0.00 0.00 173.24 175.20 1ekj s SER 325 N 0.60 6.70 -0.25 7.02 0.01 -1.26 -4.94 113.70 121.57 1ekj s SER 325 Ca -0.07 2.59 0.02 0.00 1.31 0.00 0.00 55.95 59.79 1ekj s SER 325 Cb -0.11 -2.61 -0.17 0.00 0.21 0.00 0.00 66.02 63.35 1ekj s SER 325 CO -0.00 -0.69 -0.23 0.41 0.41 0.00 0.00 173.24 173.14 1ekj n THR 326 N 2.76 1.46 -3.60 1.44 -1.04 -1.26 -5.08 114.28 108.96 1ekj n THR 326 Ca 0.08 -0.55 0.01 0.00 -2.04 0.00 0.00 64.05 61.54 1ekj n THR 326 Cb 0.41 -1.41 -0.01 0.00 -1.82 0.00 0.00 70.33 67.50 1ekj n THR 326 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1ekj s PHE 327 N -2.51 -0.01 -0.26 -1.42 -0.12 -1.26 -5.14 117.98 107.26 1ekj s PHE 327 Ca -0.34 0.00 -0.01 0.00 -0.05 0.00 0.00 56.93 56.52 1ekj s PHE 327 Cb 0.09 0.51 0.13 0.00 -0.63 0.00 0.00 43.02 43.12 1ekj s PHE 327 CO 0.59 -0.04 0.33 0.45 -0.05 0.00 0.00 175.22 176.49 1ekj s SER 328 N -2.53 0.93 0.00 1.98 0.15 -1.26 -5.29 113.70 107.69 1ekj s SER 328 Ca 0.13 -0.27 0.20 0.00 0.70 0.00 0.00 55.95 56.71 1ekj s SER 328 Cb 0.03 0.78 0.15 0.00 -1.71 0.00 0.00 66.02 65.28 1ekj s SER 328 CO -0.05 -0.34 1.12 0.52 1.20 0.00 0.00 173.24 175.69