#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekj h GLU 120 N 0.00 1.24 -0.01 -1.46 4.81 -2.05 -1.09 114.58 116.01 1ekj h GLU 120 Ca 0.00 -0.07 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1ekj h GLU 120 Cb 0.00 -0.28 -0.00 0.00 0.63 0.00 0.00 28.75 29.10 1ekj h GLU 120 CO 0.00 0.82 -0.00 0.00 -0.73 0.00 0.00 179.01 179.10 1ekj h ALA 121 N 1.35 0.02 0.00 2.92 0.00 -2.05 -0.77 119.26 120.73 1ekj h ALA 121 Ca 0.35 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ekj h ALA 121 Cb -0.13 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 1ekj h ALA 121 CO -0.08 -0.32 -0.15 0.77 0.00 0.00 0.00 179.25 179.47 1ekj h SER 122 N -0.29 0.00 -0.12 0.00 0.02 -1.95 -1.45 113.55 109.76 1ekj h SER 122 Ca 0.00 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.91 1ekj h SER 122 Cb 0.33 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.86 1ekj h SER 122 CO 0.00 0.15 -0.08 -0.08 -1.14 0.00 0.00 176.83 175.67 1ekj h GLU 123 N 0.00 0.26 -0.91 3.45 4.57 -0.97 0.49 114.58 121.47 1ekj h GLU 123 Ca -0.00 -0.13 0.09 0.00 -1.18 0.00 0.00 59.36 58.15 1ekj h GLU 123 Cb 0.29 -0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.80 1ekj h GLU 123 CO 0.02 0.64 0.55 -0.09 -1.18 0.00 0.00 179.01 178.95 1ekj h ARG 124 N -0.11 0.90 -0.28 1.92 1.12 -0.54 0.57 114.38 117.95 1ekj h ARG 124 Ca 0.02 -0.05 -0.17 0.00 -1.11 0.00 0.00 59.98 58.67 1ekj h ARG 124 Cb 0.57 -0.20 -0.00 0.00 -0.01 0.00 0.00 29.97 30.33 1ekj h ARG 124 CO 0.02 0.60 -0.50 0.82 -3.11 0.00 0.00 179.97 177.80 1ekj h ILE 125 N 0.93 1.29 0.06 1.20 2.04 -1.01 -1.18 117.51 120.84 1ekj h ILE 125 Ca 0.43 -1.70 -0.00 0.00 1.00 0.00 0.00 64.86 64.59 1ekj h ILE 125 Cb 0.35 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.03 1ekj h ILE 125 CO -0.23 0.55 -0.03 0.50 0.00 0.00 0.00 178.15 178.94 1ekj h LYS 126 N 0.62 -0.08 0.01 2.37 3.64 0.17 -2.68 116.57 120.62 1ekj h LYS 126 Ca 0.02 0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1ekj h LYS 126 Cb 1.09 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.91 1ekj h LYS 126 CO 0.11 0.03 -0.10 1.15 -2.27 0.00 0.00 179.45 178.37 1ekj h THR 127 N -0.17 0.75 -0.56 1.00 2.02 0.12 -2.88 112.91 113.19 1ekj h THR 127 Ca -0.01 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.27 1ekj h THR 127 Cb 0.15 0.75 -0.08 0.00 -1.74 0.00 0.00 68.15 67.23 1ekj h THR 127 CO 0.01 0.00 0.12 1.23 0.37 0.00 0.00 175.52 177.25 1ekj h GLY 128 N -0.18 0.70 0.95 2.16 0.00 -1.18 -2.15 103.07 103.37 1ekj h GLY 128 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 1ekj h GLY 128 CO -0.09 -0.09 0.13 -2.75 0.00 0.00 0.00 176.54 173.73 1ekj h PHE 129 N 0.25 0.68 -0.98 5.60 3.57 -1.31 -1.25 116.94 123.50 1ekj h PHE 129 Ca 0.29 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.76 1ekj h PHE 129 Cb 0.41 -0.20 -0.06 0.00 2.79 0.00 0.00 35.95 38.90 1ekj h PHE 129 CO -0.24 0.62 0.64 -0.07 -2.23 0.00 0.00 178.31 177.04 1ekj h LEU 130 N 0.54 1.06 -0.51 0.59 3.38 -1.30 0.56 115.31 119.63 1ekj h LEU 130 Ca 0.14 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 1ekj h LEU 130 Cb 0.26 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.75 1ekj h LEU 130 CO -0.00 0.72 0.13 -0.74 0.09 0.00 0.00 178.44 178.64 1ekj h HIS 131 N 1.23 0.86 -0.15 1.13 2.76 -1.12 -1.81 115.15 118.04 1ekj h HIS 131 Ca 0.40 -0.10 -0.01 0.00 -2.20 0.00 0.00 60.37 58.45 1ekj h HIS 131 Cb 0.03 -0.24 -0.01 0.00 1.55 0.00 0.00 27.41 28.74 1ekj h HIS 131 CO -0.00 0.76 0.04 0.35 -1.30 0.00 0.00 177.93 177.78 1ekj h PHE 132 N 0.71 0.25 -0.35 5.26 3.57 0.01 -0.99 116.94 125.41 1ekj h PHE 132 Ca 0.16 -0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.71 1ekj h PHE 132 Cb 0.33 -0.07 -0.08 0.00 2.79 0.00 0.00 35.95 38.91 1ekj h PHE 132 CO 0.02 0.37 -0.30 -0.22 -2.23 0.00 0.00 178.31 175.95 1ekj h LYS 133 N 0.05 -0.25 0.01 1.11 3.11 0.33 0.12 116.57 121.06 1ekj h LYS 133 Ca 0.05 0.02 -0.25 0.00 -2.81 0.00 0.00 60.65 57.65 1ekj h LYS 133 Cb 0.24 0.06 -0.04 0.00 -1.00 0.00 0.00 32.23 31.49 1ekj h LYS 133 CO -0.00 -0.17 -1.34 1.57 -2.81 0.00 0.00 179.45 176.70 1ekj h LYS 134 N -0.26 0.03 0.07 1.90 2.10 -1.36 0.51 116.57 119.56 1ekj h LYS 134 Ca 0.16 -0.05 -0.27 0.00 -2.00 0.00 0.00 60.65 58.48 1ekj h LYS 134 Cb 0.52 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 31.85 1ekj h LYS 134 CO -0.49 0.82 -1.38 0.93 -2.00 0.00 0.00 179.45 177.32 1ekj h GLU 135 N 0.01 0.15 0.00 0.07 4.39 -1.11 -3.36 114.58 114.72 1ekj h GLU 135 Ca -0.15 -0.25 -0.08 0.00 0.34 0.00 0.00 59.36 59.22 1ekj h GLU 135 Cb 1.90 0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 30.63 1ekj h GLU 135 CO 0.11 1.00 -0.98 1.63 -1.16 0.00 0.00 179.01 179.61 1ekj n LYS 136 N -3.37 0.17 0.32 2.33 5.02 0.29 -4.60 118.16 118.32 1ekj n LYS 136 Ca -0.11 0.07 -0.17 0.00 -2.02 0.00 0.00 58.31 56.08 1ekj n LYS 136 Cb 1.01 -0.79 -0.09 0.00 -0.02 0.00 0.00 35.03 35.15 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 -0.30 -0.85 0.00 2.13 3.20 -1.11 -3.02 116.97 117.02 1ekj h TYR 137 Ca -0.12 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.68 1ekj h TYR 137 Cb 0.82 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.37 1ekj h TYR 137 CO -0.07 -0.50 -0.28 -0.44 -1.64 0.00 0.00 178.16 175.23 1ekj h ASP 138 N -0.84 0.00 -0.08 -2.11 3.32 -0.16 -3.09 116.42 113.47 1ekj h ASP 138 Ca -0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.98 1ekj h ASP 138 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1ekj h ASP 138 CO 0.09 0.28 0.00 0.29 -1.72 0.00 0.00 179.24 178.18 1ekj n LYS 139 N -3.61 1.35 -3.17 3.56 5.02 -1.18 -4.15 118.16 115.98 1ekj n LYS 139 Ca -0.01 -0.53 -0.18 0.00 -2.02 0.00 0.00 58.31 55.58 1ekj n LYS 139 Cb 0.41 -1.34 -0.03 0.00 -0.02 0.00 0.00 35.03 34.06 1ekj n LYS 139 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ekj n ASN 140 N -0.25 0.66 -0.05 4.39 3.02 -1.15 -4.96 115.26 116.92 1ekj n ASN 140 Ca 0.15 -3.04 0.02 0.00 -0.03 0.00 0.00 54.58 51.68 1ekj n ASN 140 Cb 0.19 -0.50 0.35 0.00 -0.61 0.00 0.00 39.78 39.21 1ekj n ASN 140 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 1ekj h PRO 141 N 3.02 0.64 0.03 3.52 0.13 -1.72 -1.49 132.00 136.14 1ekj h PRO 141 Ca 0.09 -0.06 -0.00 0.00 -0.87 0.00 0.00 66.00 65.16 1ekj h PRO 141 Cb 0.97 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.97 1ekj h PRO 141 CO 0.48 0.48 -0.02 0.00 -0.23 0.00 0.00 178.00 178.71 1ekj h ALA 142 N 1.63 -0.04 0.90 -0.56 0.00 -1.94 -0.99 119.26 118.26 1ekj h ALA 142 Ca 0.17 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 1ekj h ALA 142 Cb 0.02 0.02 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1ekj h ALA 142 CO -0.03 -0.40 -0.43 1.25 0.00 0.00 0.00 179.25 179.64 1ekj h LEU 143 N -0.28 -1.02 -2.32 0.00 7.12 -1.93 -2.11 115.31 114.77 1ekj h LEU 143 Ca -0.00 0.03 -0.01 0.00 0.13 0.00 0.00 57.88 58.03 1ekj h LEU 143 Cb 0.26 0.26 -0.00 0.00 -0.53 0.00 0.00 40.66 40.66 1ekj h LEU 143 CO 0.01 -0.71 -0.03 1.88 -0.13 0.00 0.00 178.44 179.45 1ekj h TYR 144 N -1.25 0.00 -0.24 1.25 -1.99 -1.36 -0.25 116.97 113.14 1ekj h TYR 144 Ca -0.12 0.00 -0.16 0.00 2.00 0.00 0.00 58.73 60.45 1ekj h TYR 144 Cb 0.93 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.65 1ekj h TYR 144 CO -0.01 0.03 -0.49 0.78 -0.00 0.00 0.00 178.16 178.48 1ekj h GLY 145 N 0.65 0.70 1.42 3.88 0.00 -0.90 -2.00 103.07 106.82 1ekj h GLY 145 Ca -0.00 -0.77 -0.28 0.00 0.00 0.00 0.00 47.33 46.27 1ekj h GLY 145 CO 0.00 0.70 -1.23 0.83 0.00 0.00 0.00 176.54 176.84 1ekj h GLU 146 N 0.51 0.46 0.00 4.80 4.39 -0.41 -3.26 114.58 121.07 1ekj h GLU 146 Ca 0.02 -0.67 -0.02 0.00 0.34 0.00 0.00 59.36 59.03 1ekj h GLU 146 Cb 1.04 0.23 -0.00 0.00 -0.10 0.00 0.00 28.75 29.91 1ekj h GLU 146 CO 0.10 1.29 -0.11 -0.07 -1.16 0.00 0.00 179.01 179.06 1ekj h LEU 147 N 0.19 0.00 -1.90 1.33 3.38 -1.18 0.31 115.31 117.44 1ekj h LEU 147 Ca -0.16 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.80 1ekj h LEU 147 Cb 1.91 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.66 1ekj h LEU 147 CO 0.22 0.11 -0.03 0.00 0.09 0.00 0.00 178.44 178.83 1ekj h ALA 148 N 1.89 1.04 0.00 1.53 0.00 -1.40 -2.79 119.26 119.54 1ekj h ALA 148 Ca -0.00 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ekj h ALA 148 Cb 0.28 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.07 1ekj h ALA 148 CO 0.01 0.04 -0.69 0.87 0.00 0.00 0.00 179.25 179.48 1ekj h LYS 149 N 0.00 0.00 0.00 0.00 1.57 -1.06 -3.50 116.57 113.59 1ekj h LYS 149 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ekj h LYS 149 Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.68 1ekj h LYS 149 CO 0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1ekj n GLY 150 N 1.33 0.25 3.09 3.86 0.00 -1.05 -5.15 105.19 107.52 1ekj n GLY 150 Ca 0.03 -1.42 -0.17 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.82 0.71 -0.42 1.61 -2.07 -1.26 -4.31 119.66 112.10 1ekj s GLN 151 Ca 0.00 -0.71 0.09 0.00 -1.82 0.00 0.00 55.36 52.92 1ekj s GLN 151 Cb 0.00 -0.63 0.31 0.00 -1.09 0.00 0.00 33.01 31.60 1ekj s GLN 151 CO 0.00 0.15 0.85 -1.13 -1.32 0.00 0.00 175.29 173.84 1ekj n SER 152 N 1.80 -0.79 -4.76 12.60 3.41 -1.26 -4.99 113.62 119.63 1ekj n SER 152 Ca -0.19 -3.24 -0.41 0.00 -0.26 0.00 0.00 58.87 54.77 1ekj n SER 152 Cb 0.55 0.53 -0.03 0.00 -0.26 0.00 0.00 64.21 65.01 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 -0.96 4.40 0.17 4.33 0.04 -1.19 -4.93 135.00 136.85 1ekj s PRO 153 Ca 0.32 2.13 0.26 0.00 0.04 0.00 0.00 61.00 63.76 1ekj s PRO 153 Cb 0.29 -3.11 0.82 0.00 0.04 0.00 0.00 34.50 32.54 1ekj s PRO 153 CO -0.09 -0.15 1.75 -0.35 0.04 0.00 0.00 177.00 178.20 1ekj n PRO 154 N 1.25 0.22 -4.62 0.56 -0.04 -1.04 -4.39 135.00 126.95 1ekj n PRO 154 Ca 0.01 0.17 -0.30 0.00 -0.04 0.00 0.00 63.50 63.34 1ekj n PRO 154 Cb 0.42 -1.74 -0.13 0.00 -0.04 0.00 0.00 33.50 32.01 1ekj n PRO 154 CO 0.00 0.00 0.00 -0.06 -0.04 0.00 0.00 175.50 175.40 1ekj s PHE 155 N -3.09 2.54 -0.09 0.54 0.40 -1.02 -1.12 117.98 116.14 1ekj s PHE 155 Ca 0.11 -0.27 0.04 0.00 -0.60 0.00 0.00 56.93 56.21 1ekj s PHE 155 Cb 0.13 -1.44 -0.00 0.00 0.51 0.00 0.00 43.02 42.22 1ekj s PHE 155 CO 0.60 0.27 -0.24 1.41 0.70 0.00 0.00 175.22 177.96 1ekj s MET 156 N -1.54 2.91 -0.06 0.44 -2.45 -0.16 0.28 119.30 118.72 1ekj s MET 156 Ca 0.15 -0.88 0.02 0.00 -1.25 0.00 0.00 55.69 53.73 1ekj s MET 156 Cb -0.10 -2.25 0.01 0.00 1.25 0.00 0.00 34.83 33.73 1ekj s MET 156 CO 0.06 0.22 -0.12 0.08 1.05 0.00 0.00 175.02 176.31 1ekj s VAL 157 N 0.23 1.10 -0.15 10.11 1.01 -0.06 -0.48 120.40 132.16 1ekj s VAL 157 Ca -0.15 -0.47 -0.06 0.00 0.00 0.00 0.00 61.98 61.30 1ekj s VAL 157 Cb -0.17 -1.00 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 1ekj s VAL 157 CO 0.08 0.34 0.04 -0.36 0.00 0.00 0.00 175.10 175.20 1ekj s PHE 158 N 0.60 3.23 0.08 5.22 0.40 0.42 -0.70 117.98 127.22 1ekj s PHE 158 Ca -0.13 0.09 -0.10 0.00 -0.60 0.00 0.00 56.93 56.18 1ekj s PHE 158 Cb -0.15 -1.99 0.01 0.00 0.51 0.00 0.00 43.02 41.40 1ekj s PHE 158 CO 0.03 0.24 0.23 0.00 0.70 0.00 0.00 175.22 176.42 1ekj s ALA 159 N -0.01 -0.38 0.57 5.36 0.00 -0.40 -0.75 121.76 126.15 1ekj s ALA 159 Ca 0.05 -0.44 -0.18 0.00 0.00 0.00 0.00 51.96 51.39 1ekj s ALA 159 Cb -0.12 0.47 -0.04 0.00 0.00 0.00 0.00 23.12 23.42 1ekj s ALA 159 CO 0.01 -0.50 1.09 0.00 0.00 0.00 0.00 175.76 176.37 1ekj h SER 161 N 0.81 0.00 -0.96 0.00 0.02 -1.51 -3.43 113.55 108.48 1ekj h SER 161 Ca -0.48 0.00 -0.77 0.00 -0.84 0.00 0.00 61.79 59.70 1ekj h SER 161 Cb 1.24 0.00 0.05 0.00 0.14 0.00 0.00 62.40 63.83 1ekj h SER 161 CO 0.57 0.00 0.08 -0.67 -1.14 0.00 0.00 176.83 175.67 1ekj n ASP 162 N -2.71 0.03 0.05 3.07 -0.08 -1.26 -4.82 116.55 110.83 1ekj n ASP 162 Ca 0.02 1.12 0.07 0.00 -1.51 0.00 0.00 54.79 54.48 1ekj n ASP 162 Cb 0.29 -0.89 0.30 0.00 2.34 0.00 0.00 41.12 43.17 1ekj n ASP 162 CO 0.00 0.00 0.00 -1.54 0.12 0.00 0.00 177.20 175.78 1ekj n SER 163 N 1.54 0.23 -0.64 1.67 3.41 -1.26 -2.70 113.62 115.86 1ekj n SER 163 Ca 0.20 0.58 0.13 0.00 -0.26 0.00 0.00 58.87 59.51 1ekj n SER 163 Cb 0.07 -0.62 0.25 0.00 -0.26 0.00 0.00 64.21 63.66 1ekj n SER 163 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1ekj n ARG 164 N -1.77 1.74 -0.65 4.33 1.74 -1.26 -4.44 116.66 116.35 1ekj n ARG 164 Ca 0.01 -1.29 0.06 0.00 -0.77 0.00 0.00 57.85 55.86 1ekj n ARG 164 Cb 0.11 -1.47 0.15 0.00 -1.02 0.00 0.00 32.46 30.23 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 0.50 1.61 -1.49 1.55 0.24 -1.10 -5.01 118.33 114.63 1ekj n VAL 165 Ca 0.14 -2.45 -0.54 0.00 -2.04 0.00 0.00 64.34 59.46 1ekj n VAL 165 Cb 0.47 0.03 -0.08 0.00 -1.47 0.00 0.00 33.84 32.79 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 10.29 0.15 -0.12 0.00 0.13 -1.96 -0.95 132.00 139.54 1ekj h PRO 167 Ca -0.30 -0.01 0.01 0.00 -0.87 0.00 0.00 66.00 64.83 1ekj h PRO 167 Cb 1.34 -0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.42 1ekj h PRO 167 CO 1.01 0.10 0.05 0.77 -0.23 0.00 0.00 178.00 179.71 1ekj h SER 168 N 0.15 0.07 0.62 1.44 0.02 -1.88 -1.19 113.55 112.79 1ekj h SER 168 Ca 0.18 0.01 -0.03 0.00 -0.84 0.00 0.00 61.79 61.11 1ekj h SER 168 Cb 0.51 -0.00 0.01 0.00 0.14 0.00 0.00 62.40 63.05 1ekj h SER 168 CO -0.03 0.06 -0.30 0.45 -1.14 0.00 0.00 176.83 175.88 1ekj h HIS 169 N 0.12 -0.77 -0.83 3.45 3.86 -1.64 0.17 115.15 119.50 1ekj h HIS 169 Ca 0.05 -0.02 0.13 0.00 -1.16 0.00 0.00 60.37 59.37 1ekj h HIS 169 Cb 0.02 0.26 -0.09 0.00 1.06 0.00 0.00 27.41 28.66 1ekj h HIS 169 CO -0.10 -0.46 0.44 0.28 0.86 0.00 0.00 177.93 178.96 1ekj h VAL 170 N -1.18 0.79 -0.35 2.45 2.07 -1.23 -2.07 116.25 116.72 1ekj h VAL 170 Ca -0.09 -0.23 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ekj h VAL 170 Cb 0.66 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1ekj h VAL 170 CO 0.14 0.12 0.00 0.18 0.02 0.00 0.00 177.57 178.03 1ekj n LEU 171 N -4.83 3.02 -3.80 2.57 4.77 -0.45 -4.97 117.00 113.30 1ekj n LEU 171 Ca 0.16 -1.69 -0.27 0.00 -0.03 0.00 0.00 56.01 54.17 1ekj n LEU 171 Cb 0.38 -0.23 0.04 0.00 -2.33 0.00 0.00 43.42 41.28 1ekj n LEU 171 CO 0.23 0.70 0.12 -0.67 -1.33 0.00 0.00 177.39 176.44 1ekj n ASP 172 N 0.94 -4.62 -4.75 -1.43 4.64 0.37 -4.92 116.55 106.78 1ekj n ASP 172 Ca 0.14 -0.73 -0.41 0.00 -1.38 0.00 0.00 54.79 52.42 1ekj n ASP 172 Cb 0.47 -4.20 -0.04 0.00 -1.04 0.00 0.00 41.12 36.31 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 -3.35 3.49 0.23 -0.67 2.99 0.02 -4.99 117.98 115.70 1ekj s PHE 173 Ca 0.54 1.59 0.01 0.00 0.00 0.00 0.00 56.93 59.07 1ekj s PHE 173 Cb -0.26 -3.36 -0.04 0.00 0.00 0.00 0.00 43.02 39.36 1ekj s PHE 173 CO 0.80 -0.84 0.41 -0.65 -0.00 0.00 0.00 175.22 174.95 1ekj s GLN 174 N -1.06 3.50 0.29 0.44 -1.52 -1.26 -4.77 119.66 115.28 1ekj s GLN 174 Ca 0.47 -0.43 -0.29 0.00 -1.95 0.00 0.00 55.36 53.17 1ekj s GLN 174 Cb -0.33 -2.82 -0.13 0.00 -0.22 0.00 0.00 33.01 29.51 1ekj s GLN 174 CO 0.40 0.36 1.26 -0.35 -0.25 0.00 0.00 175.29 176.72 1ekj n PRO 175 N -1.01 1.89 -0.19 2.91 -0.04 -1.26 -1.26 135.00 136.04 1ekj n PRO 175 Ca -0.06 0.67 0.00 0.00 -0.04 0.00 0.00 63.50 64.07 1ekj n PRO 175 Cb 0.55 -2.23 0.00 0.00 -0.04 0.00 0.00 33.50 31.78 1ekj n PRO 175 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ekj n GLY 176 N 1.36 0.92 0.11 0.55 0.00 -1.26 -4.94 105.19 101.94 1ekj n GLY 176 Ca 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.96 1ekj n GLY 176 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1ekj n GLU 177 N -2.00 0.68 -3.88 1.61 1.02 -0.39 -3.18 120.64 114.49 1ekj n GLU 177 Ca 0.00 0.16 -0.21 0.00 -0.02 0.00 0.00 57.16 57.10 1ekj n GLU 177 Cb 0.00 -1.63 -0.17 0.00 -0.02 0.00 0.00 31.44 29.62 1ekj n GLU 177 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1ekj s ALA 178 N -2.54 0.55 -0.29 0.62 0.00 -1.26 -2.42 121.76 116.43 1ekj s ALA 178 Ca -0.17 -0.01 -0.26 0.00 0.00 0.00 0.00 51.96 51.52 1ekj s ALA 178 Cb 0.07 -0.56 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1ekj s ALA 178 CO 0.76 -0.27 0.89 0.12 0.00 0.00 0.00 175.76 177.26 1ekj s PHE 179 N 1.53 3.23 -0.07 0.00 5.36 0.14 -4.94 117.98 123.23 1ekj s PHE 179 Ca -0.02 1.05 0.02 0.00 -0.96 0.00 0.00 56.93 57.02 1ekj s PHE 179 Cb -0.13 -3.29 -0.02 0.00 -0.34 0.00 0.00 43.02 39.24 1ekj s PHE 179 CO -0.03 -0.56 -0.12 0.08 -1.46 0.00 0.00 175.22 173.13 1ekj s VAL 180 N 3.11 3.23 -0.10 3.12 1.01 -1.26 -0.88 120.40 128.63 1ekj s VAL 180 Ca 0.37 -0.65 0.03 0.00 0.00 0.00 0.00 61.98 61.74 1ekj s VAL 180 Cb -0.14 -2.30 0.00 0.00 0.00 0.00 0.00 36.38 33.95 1ekj s VAL 180 CO 0.11 0.58 -0.22 -0.69 0.00 0.00 0.00 175.10 174.88 1ekj s VAL 181 N -0.55 1.94 -0.06 2.92 1.01 0.12 -4.96 120.40 120.82 1ekj s VAL 181 Ca 0.08 -0.94 0.03 0.00 0.00 0.00 0.00 61.98 61.15 1ekj s VAL 181 Cb -0.12 -1.69 0.00 0.00 0.00 0.00 0.00 36.38 34.58 1ekj s VAL 181 CO 0.02 0.53 -0.15 -0.13 0.00 0.00 0.00 175.10 175.36 1ekj s ARG 182 N 0.48 1.82 0.35 2.72 0.52 -1.26 -1.28 118.95 122.31 1ekj s ARG 182 Ca -0.16 -0.54 -0.12 0.00 -0.52 0.00 0.00 55.73 54.38 1ekj s ARG 182 Cb -0.17 -1.53 0.03 0.00 0.52 0.00 0.00 34.95 33.80 1ekj s ARG 182 CO 0.06 0.15 0.67 0.54 0.02 0.00 0.00 175.30 176.75 1ekj s ASN 183 N 0.30 0.22 -0.25 0.23 2.20 -0.97 -4.78 114.94 111.90 1ekj s ASN 183 Ca -0.09 -1.17 -0.28 0.00 -0.94 0.00 0.00 52.86 50.38 1ekj s ASN 183 Cb -0.13 0.77 -0.04 0.00 -2.00 0.00 0.00 41.25 39.85 1ekj s ASN 183 CO 0.03 -1.51 1.95 -0.69 -2.94 0.00 0.00 177.10 173.94 1ekj s VAL 184 N -2.80 3.29 -0.80 3.54 1.01 -1.26 -1.34 120.40 122.04 1ekj s VAL 184 Ca 0.20 0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.48 1ekj s VAL 184 Cb -0.04 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.98 1ekj s VAL 184 CO 0.13 -0.21 0.00 0.00 0.00 0.00 0.00 175.10 175.02 1ekj n ALA 185 N 10.42 -0.14 -4.17 5.51 0.00 -1.26 -3.90 120.51 126.97 1ekj n ALA 185 Ca 0.25 0.11 -0.35 0.00 0.00 0.00 0.00 53.44 53.45 1ekj n ALA 185 Cb 0.45 -1.10 -0.02 0.00 0.00 0.00 0.00 19.45 18.79 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 0.68 -3.65 -4.82 0.00 0.23 -0.94 -4.86 115.26 101.89 1ekj n ASN 186 Ca -0.08 -0.97 -0.36 0.00 -0.53 0.00 0.00 54.58 52.65 1ekj n ASN 186 Cb 0.33 -2.98 -0.06 0.00 -2.08 0.00 0.00 39.78 34.98 1ekj n ASN 186 CO 0.00 0.00 0.00 -0.76 -0.93 0.00 0.00 177.26 175.57 1ekj s LEU 187 N -7.28 4.31 -0.32 -4.53 1.43 -1.25 -4.76 118.68 106.28 1ekj s LEU 187 Ca 0.74 1.41 0.02 0.00 -1.03 0.00 0.00 54.13 55.26 1ekj s LEU 187 Cb -0.40 -3.65 0.08 0.00 0.03 0.00 0.00 46.19 42.25 1ekj s LEU 187 CO 0.91 0.00 0.01 -0.69 0.23 0.00 0.00 176.35 176.81 1ekj s VAL 188 N -1.58 2.50 0.85 -1.59 1.01 -1.26 -4.98 120.40 115.35 1ekj s VAL 188 Ca 0.44 -1.92 -0.12 0.00 0.00 0.00 0.00 61.98 60.39 1ekj s VAL 188 Cb -0.16 -2.64 0.10 0.00 0.00 0.00 0.00 36.38 33.68 1ekj s VAL 188 CO 0.21 -0.35 1.10 -2.16 0.00 0.00 0.00 175.10 173.90 1ekj s PRO 189 N 1.06 1.63 0.73 2.72 0.04 -1.26 -4.65 135.00 135.26 1ekj s PRO 189 Ca 0.01 0.67 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 1ekj s PRO 189 Cb -0.20 -1.86 0.03 0.00 0.04 0.00 0.00 34.50 32.50 1ekj s PRO 189 CO -0.05 -1.95 1.09 -1.25 0.04 0.00 0.00 177.00 174.88 1ekj s PRO 190 N -5.08 2.68 -0.29 0.56 0.04 -1.26 -4.76 135.00 126.88 1ekj s PRO 190 Ca 0.62 0.58 -0.39 0.00 0.04 0.00 0.00 61.00 61.86 1ekj s PRO 190 Cb -0.16 -1.99 -0.15 0.00 0.04 0.00 0.00 34.50 32.24 1ekj s PRO 190 CO 0.55 -1.19 1.86 0.98 0.04 0.00 0.00 177.00 179.24 1ekj n TYR 191 N -3.13 1.96 -3.15 0.56 9.36 -1.26 -4.86 117.16 116.63 1ekj n TYR 191 Ca 0.07 0.46 0.04 0.00 3.32 0.00 0.00 57.90 61.79 1ekj n TYR 191 Cb 0.56 -2.48 -0.00 0.00 -0.63 0.00 0.00 39.34 36.79 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 4.41 -1.46 0.53 2.98 -1.08 -1.26 -5.02 116.67 115.77 1ekj s ASP 192 Ca 1.01 0.35 0.29 0.00 -0.52 0.00 0.00 52.55 53.67 1ekj s ASP 192 Cb -1.03 2.00 1.49 0.00 -1.46 0.00 0.00 42.92 43.92 1ekj s ASP 192 CO 0.62 -0.27 2.08 1.56 0.52 0.00 0.00 175.17 179.68 1ekj h GLN 193 N 7.95 0.00 0.13 4.34 4.20 -1.92 0.16 115.11 129.97 1ekj h GLN 193 Ca -0.07 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.32 1ekj h GLN 193 Cb 1.18 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.96 1ekj h GLN 193 CO 0.15 0.11 -1.59 0.00 -0.67 0.00 0.00 178.83 176.83 1ekj h ALA 194 N 1.89 0.26 0.00 3.87 0.00 -2.00 -3.39 119.26 119.89 1ekj h ALA 194 Ca -0.00 -1.13 -0.18 0.00 0.00 0.00 0.00 54.91 53.60 1ekj h ALA 194 Cb 0.33 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.42 1ekj h ALA 194 CO 0.01 1.13 -1.89 1.63 0.00 0.00 0.00 179.25 180.12 1ekj n LYS 195 N -3.47 1.27 -2.58 0.00 5.02 -1.17 -4.77 118.16 112.47 1ekj n LYS 195 Ca -0.19 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 55.89 1ekj n LYS 195 Cb 1.05 -1.37 0.02 0.00 -0.02 0.00 0.00 35.03 34.71 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 -2.37 2.16 -0.26 2.13 0.53 0.55 -4.87 117.16 115.02 1ekj n TYR 196 Ca -0.17 -2.92 -0.06 0.00 -1.02 0.00 0.00 57.90 53.73 1ekj n TYR 196 Cb 0.78 -0.25 0.06 0.00 -1.03 0.00 0.00 39.34 38.91 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 2.80 1.00 -0.27 -0.72 0.00 -1.75 -1.64 119.26 118.69 1ekj h ALA 197 Ca 0.08 -0.23 0.04 0.00 0.00 0.00 0.00 54.91 54.80 1ekj h ALA 197 Cb 1.07 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 18.54 1ekj h ALA 197 CO 0.65 0.67 0.03 0.78 0.00 0.00 0.00 179.25 181.37 1ekj h GLY 198 N 1.12 0.28 0.88 0.00 0.00 -1.92 0.39 103.07 103.81 1ekj h GLY 198 Ca 0.24 0.01 -0.07 0.00 0.00 0.00 0.00 47.33 47.51 1ekj h GLY 198 CO -0.01 -0.03 -0.10 -0.84 0.00 0.00 0.00 176.54 175.56 1ekj h THR 199 N 0.12 1.29 -0.83 4.70 2.02 -1.95 -2.84 112.91 115.41 1ekj h THR 199 Ca 0.13 -1.16 -0.04 0.00 0.77 0.00 0.00 66.41 66.10 1ekj h THR 199 Cb 0.15 1.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.99 1ekj h THR 199 CO -0.19 0.37 0.36 1.23 0.37 0.00 0.00 175.52 177.66 1ekj h GLY 200 N 0.31 1.30 1.30 2.16 0.00 -0.85 -1.91 103.07 105.39 1ekj h GLY 200 Ca 0.07 -0.68 -0.01 0.00 0.00 0.00 0.00 47.33 46.70 1ekj h GLY 200 CO 0.03 0.64 0.36 0.00 0.00 0.00 0.00 176.54 177.57 1ekj h ALA 201 N 1.19 1.38 -0.14 3.60 0.00 -0.20 -0.73 119.26 124.36 1ekj h ALA 201 Ca 0.28 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1ekj h ALA 201 Cb 0.17 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1ekj h ALA 201 CO -0.03 0.50 -0.17 0.00 0.00 0.00 0.00 179.25 179.56 1ekj h ALA 202 N 1.47 0.21 -0.77 0.00 0.00 -1.19 -0.99 119.26 118.00 1ekj h ALA 202 Ca 0.23 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 1ekj h ALA 202 Cb 0.03 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1ekj h ALA 202 CO -0.04 0.11 0.43 0.82 0.00 0.00 0.00 179.25 180.57 1ekj h ILE 203 N -0.02 1.23 -0.41 0.00 2.04 -1.15 -0.85 117.51 118.34 1ekj h ILE 203 Ca 0.02 -0.56 -0.04 0.00 1.00 0.00 0.00 64.86 65.28 1ekj h ILE 203 Cb 0.71 0.21 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 1ekj h ILE 203 CO 0.04 0.25 0.11 -0.08 0.00 0.00 0.00 178.15 178.47 1ekj h GLU 204 N 1.06 0.66 -0.07 2.37 4.81 -1.05 0.20 114.58 122.57 1ekj h GLU 204 Ca 0.27 -0.15 -0.00 0.00 -0.13 0.00 0.00 59.36 59.34 1ekj h GLU 204 Cb 0.03 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1ekj h GLU 204 CO -0.04 0.67 0.03 -0.92 -0.73 0.00 0.00 179.01 178.01 1ekj h TYR 205 N 0.53 0.10 -0.02 0.92 3.20 -0.95 0.12 116.97 120.86 1ekj h TYR 205 Ca 0.13 -0.01 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 1ekj h TYR 205 Cb 0.30 -0.03 -0.00 0.00 1.54 0.00 0.00 36.73 38.54 1ekj h TYR 205 CO 0.02 0.22 0.01 0.00 -1.64 0.00 0.00 178.16 176.77 1ekj h ALA 206 N 0.87 0.03 -0.03 1.82 0.00 -1.00 0.55 119.26 121.50 1ekj h ALA 206 Ca 0.02 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1ekj h ALA 206 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ekj h ALA 206 CO -0.00 -0.44 -0.07 0.28 0.00 0.00 0.00 179.25 179.01 1ekj h VAL 207 N -0.03 1.46 0.00 0.00 2.07 -0.57 0.56 116.25 119.74 1ekj h VAL 207 Ca 0.01 -1.47 -0.28 0.00 0.82 0.00 0.00 66.70 65.78 1ekj h VAL 207 Cb 0.06 2.37 -0.05 0.00 -1.52 0.00 0.00 31.29 32.15 1ekj h VAL 207 CO -0.00 0.39 -1.67 0.18 0.02 0.00 0.00 177.57 176.49 1ekj n LEU 208 N -4.70 0.88 -0.10 2.57 4.77 0.41 -3.55 117.00 117.27 1ekj n LEU 208 Ca -0.08 0.41 -0.15 0.00 -0.03 0.00 0.00 56.01 56.16 1ekj n LEU 208 Cb 0.35 0.16 -0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1ekj n LEU 208 CO 0.36 0.36 -0.79 1.41 -1.33 0.00 0.00 177.39 177.40 1ekj n HIS 209 N -3.03 0.35 0.52 -1.77 8.25 -0.10 -4.47 115.22 114.98 1ekj n HIS 209 Ca -0.16 0.15 0.13 0.00 -0.26 0.00 0.00 57.72 57.58 1ekj n HIS 209 Cb 1.03 -0.77 0.34 0.00 1.12 0.00 0.00 29.99 31.71 1ekj n HIS 209 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1ekj h LEU 210 N -1.00 0.00 -1.51 2.41 3.38 -1.00 -3.48 115.31 114.11 1ekj h LEU 210 Ca -0.23 -0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.36 1ekj h LEU 210 Cb 1.10 0.00 0.12 0.00 0.09 0.00 0.00 40.66 41.97 1ekj h LEU 210 CO -0.14 0.00 -0.77 0.29 0.09 0.00 0.00 178.44 177.91 1ekj n LYS 211 N -2.48 -6.34 -1.17 1.13 5.02 0.07 -4.79 118.16 109.60 1ekj n LYS 211 Ca 0.05 0.77 -0.34 0.00 -2.02 0.00 0.00 58.31 56.77 1ekj n LYS 211 Cb 0.46 -5.67 0.12 0.00 -0.02 0.00 0.00 35.03 29.92 1ekj n LYS 211 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 1ekj s VAL 212 N -3.43 2.00 -0.66 -0.18 -7.23 -0.51 -4.93 120.40 105.46 1ekj s VAL 212 Ca 0.14 0.00 0.18 0.00 -1.81 0.00 0.00 61.98 60.49 1ekj s VAL 212 Cb -0.06 -2.48 -0.21 0.00 0.56 0.00 0.00 36.38 34.19 1ekj s VAL 212 CO 0.76 -0.00 0.68 -1.20 -0.31 0.00 0.00 175.10 175.02 1ekj n SER 213 N -3.15 0.83 -3.87 4.85 7.64 -0.35 -4.81 113.62 114.76 1ekj n SER 213 Ca 0.14 -0.73 -0.12 0.00 1.01 0.00 0.00 58.87 59.18 1ekj n SER 213 Cb 0.50 1.17 -0.12 0.00 -1.01 0.00 0.00 64.21 64.75 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 -2.95 -0.02 -0.15 6.43 0.01 -0.28 -1.02 114.94 116.97 1ekj s ASN 214 Ca 0.04 0.01 0.00 0.00 -0.71 0.00 0.00 52.86 52.20 1ekj s ASN 214 Cb 0.13 0.16 0.02 0.00 0.41 0.00 0.00 41.25 41.97 1ekj s ASN 214 CO 0.73 -0.11 -0.14 -0.63 -1.51 0.00 0.00 177.10 175.43 1ekj s ILE 215 N -0.38 1.59 -0.14 0.60 1.01 -0.22 -0.99 121.20 122.66 1ekj s ILE 215 Ca -0.04 -0.65 0.01 0.00 0.00 0.00 0.00 60.65 59.97 1ekj s ILE 215 Cb -0.03 -1.48 0.00 0.00 0.01 0.00 0.00 42.46 40.96 1ekj s ILE 215 CO 0.00 0.46 -0.18 -0.69 0.00 0.00 0.00 174.94 174.53 1ekj s VAL 216 N 1.44 2.43 -0.26 2.92 1.01 0.37 -1.25 120.40 127.06 1ekj s VAL 216 Ca 0.04 -0.86 -0.08 0.00 0.00 0.00 0.00 61.98 61.09 1ekj s VAL 216 Cb -0.13 -2.00 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 1ekj s VAL 216 CO -0.10 0.53 0.08 -0.69 0.00 0.00 0.00 175.10 174.92 1ekj s VAL 217 N 0.76 4.32 -0.22 2.92 1.01 -0.56 -0.44 120.40 128.19 1ekj s VAL 217 Ca -0.07 -0.25 -0.00 0.00 0.00 0.00 0.00 61.98 61.66 1ekj s VAL 217 Cb -0.16 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.19 1ekj s VAL 217 CO 0.00 0.28 -0.12 -0.63 0.00 0.00 0.00 175.10 174.63 1ekj s ILE 218 N 1.61 2.52 0.55 2.22 1.01 0.07 -0.78 121.20 128.39 1ekj s ILE 218 Ca 0.06 -0.97 0.07 0.00 0.00 0.00 0.00 60.65 59.80 1ekj s ILE 218 Cb -0.16 -2.19 0.07 0.00 0.01 0.00 0.00 42.46 40.19 1ekj s ILE 218 CO 0.04 0.36 0.76 -0.83 0.00 0.00 0.00 174.94 175.27 1ekj s GLY 219 N 1.31 1.80 0.12 6.18 0.00 -0.32 -4.09 107.32 112.32 1ekj s GLY 219 Ca 0.02 -1.87 -0.20 0.00 0.00 0.00 0.00 44.72 42.67 1ekj s GLY 219 CO -0.08 -1.49 0.50 -2.38 0.00 0.00 0.00 173.10 169.65 1ekj s HIS 220 N -2.67 -0.38 0.53 1.90 -3.43 -1.26 -1.12 115.29 108.86 1ekj s HIS 220 Ca 0.60 0.18 -0.22 0.00 -0.80 0.00 0.00 55.06 54.82 1ekj s HIS 220 Cb -0.07 0.39 -0.05 0.00 -1.43 0.00 0.00 32.58 31.41 1ekj s HIS 220 CO 0.38 -0.74 1.38 -1.54 -2.00 0.00 0.00 174.74 172.22 1ekj s SER 221 N -2.61 5.34 -1.46 7.38 1.04 -0.68 -3.34 113.70 119.37 1ekj s SER 221 Ca 0.00 2.82 -0.11 0.00 0.48 0.00 0.00 55.95 59.15 1ekj s SER 221 Cb 0.00 -2.64 0.06 0.00 0.10 0.00 0.00 66.02 63.54 1ekj s SER 221 CO -0.10 -1.53 1.01 0.00 0.98 0.00 0.00 173.24 173.61 1ekj n ALA 222 N -0.89 -1.38 -2.47 5.32 0.00 -1.26 -4.80 120.51 115.03 1ekj n ALA 222 Ca 0.09 0.21 -0.43 0.00 0.00 0.00 0.00 53.44 53.32 1ekj n ALA 222 Cb 0.44 -4.48 -0.02 0.00 0.00 0.00 0.00 19.45 15.39 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 9.39 0.64 0.99 0.00 0.00 -1.94 -1.68 103.07 110.47 1ekj h GLY 224 Ca -0.27 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.73 1ekj h GLY 224 CO 0.95 0.31 0.30 -1.33 0.00 0.00 0.00 176.54 176.77 1ekj h GLY 225 N 0.79 0.79 1.41 4.60 0.00 -1.93 -0.54 103.07 108.18 1ekj h GLY 225 Ca 0.14 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 46.97 1ekj h GLY 225 CO -0.01 0.34 -0.44 -2.22 0.00 0.00 0.00 176.54 174.21 1ekj h ILE 226 N 0.72 1.30 -0.77 2.60 1.08 -1.87 -0.82 117.51 119.74 1ekj h ILE 226 Ca 0.19 -1.62 0.01 0.00 -0.39 0.00 0.00 64.86 63.04 1ekj h ILE 226 Cb 0.03 1.57 -0.04 0.00 -3.07 0.00 0.00 36.82 35.31 1ekj h ILE 226 CO -0.03 0.52 0.50 0.50 -0.69 0.00 0.00 178.15 178.95 1ekj h LYS 227 N 0.52 1.02 -0.35 2.37 3.64 -1.09 0.26 116.57 122.95 1ekj h LYS 227 Ca 0.04 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 59.31 1ekj h LYS 227 Cb 0.97 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 32.55 1ekj h LYS 227 CO 0.09 0.68 0.07 0.78 -2.27 0.00 0.00 179.45 178.80 1ekj h GLY 228 N 1.04 0.61 0.39 5.01 0.00 -0.66 -0.38 103.07 109.09 1ekj h GLY 228 Ca 0.28 -0.39 0.08 0.00 0.00 0.00 0.00 47.33 47.30 1ekj h GLY 228 CO -0.06 0.36 0.08 -2.00 0.00 0.00 0.00 176.54 174.93 1ekj h LEU 229 N 0.41 -0.01 -0.91 3.11 5.85 -0.46 0.38 115.31 123.67 1ekj h LEU 229 Ca 0.11 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.80 1ekj h LEU 229 Cb 0.33 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.46 1ekj h LEU 229 CO 0.00 0.02 -0.53 -0.07 -0.34 0.00 0.00 178.44 177.53 1ekj h LEU 230 N 0.22 0.00 0.00 2.25 3.38 -0.32 -3.31 115.31 117.53 1ekj h LEU 230 Ca 0.23 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 58.05 1ekj h LEU 230 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.02 1ekj h LEU 230 CO -0.31 0.53 -1.78 -1.54 0.09 0.00 0.00 178.44 175.43 1ekj n SER 231 N -3.84 0.40 -4.77 -0.43 3.41 -0.17 -4.89 113.62 103.34 1ekj n SER 231 Ca -0.01 0.17 -0.38 0.00 -0.26 0.00 0.00 58.87 58.39 1ekj n SER 231 Cb 0.55 0.93 -0.01 0.00 -0.26 0.00 0.00 64.21 65.42 1ekj n SER 231 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1ekj s PHE 232 N -3.04 2.96 0.15 7.33 2.99 0.12 -4.95 117.98 123.54 1ekj s PHE 232 Ca -0.06 1.53 -0.04 0.00 0.00 0.00 0.00 56.93 58.37 1ekj s PHE 232 Cb 0.10 -3.42 -0.04 0.00 0.00 0.00 0.00 43.02 39.65 1ekj s PHE 232 CO 0.84 -1.49 1.35 -1.00 -0.00 0.00 0.00 175.22 174.93 1ekj h PRO 233 N 2.41 0.42 -6.10 0.24 0.13 -1.89 -3.48 132.00 123.74 1ekj h PRO 233 Ca -0.49 -0.41 -0.42 0.00 -0.87 0.00 0.00 66.00 63.81 1ekj h PRO 233 Cb 1.24 0.10 0.05 0.00 0.13 0.00 0.00 31.00 32.53 1ekj h PRO 233 CO 0.62 1.06 -0.83 1.19 -0.23 0.00 0.00 178.00 179.81 1ekj n PHE 234 N -3.79 -1.93 -1.48 1.56 3.01 -1.26 -4.90 117.46 108.68 1ekj n PHE 234 Ca -0.06 0.84 0.01 0.00 1.01 0.00 0.00 57.45 59.26 1ekj n PHE 234 Cb 0.78 -4.38 0.20 0.00 -0.01 0.00 0.00 39.48 36.08 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 -3.05 2.20 0.00 4.37 5.68 -1.26 -4.94 116.55 119.55 1ekj n ASP 235 Ca -0.28 -3.77 0.00 0.00 -0.50 0.00 0.00 54.79 50.24 1ekj n ASP 235 Cb 0.67 -0.58 0.00 0.00 -1.14 0.00 0.00 41.12 40.07 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 -1.12 2.87 3.83 6.12 0.00 -1.26 -5.04 105.19 110.59 1ekj n GLY 236 Ca 0.26 -0.53 -0.37 0.00 0.00 0.00 0.00 46.02 45.38 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 -1.61 5.42 0.06 2.61 -4.23 -1.26 -5.09 115.64 111.54 1ekj s THR 237 Ca 0.00 0.31 0.07 0.00 -1.18 0.00 0.00 61.69 60.89 1ekj s THR 237 Cb 0.00 -3.47 -0.03 0.00 1.34 0.00 0.00 72.50 70.34 1ekj s THR 237 CO 0.00 0.56 -0.18 -0.31 -0.54 0.00 0.00 174.62 174.16 1ekj s TYR 238 N -0.66 2.56 -0.06 3.99 1.51 -1.26 -4.62 117.35 118.81 1ekj s TYR 238 Ca 0.15 -0.25 0.01 0.00 -1.01 0.00 0.00 57.07 55.96 1ekj s TYR 238 Cb -0.12 -1.44 0.01 0.00 -0.11 0.00 0.00 41.96 40.30 1ekj s TYR 238 CO 0.04 0.29 0.84 -1.13 -1.11 0.00 0.00 175.55 174.47 1ekj n SER 239 N 1.36 1.69 -4.39 2.29 3.41 -1.26 -5.03 113.62 111.69 1ekj n SER 239 Ca -0.16 -1.65 -0.20 0.00 -0.26 0.00 0.00 58.87 56.61 1ekj n SER 239 Cb 0.52 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -0.66 1.44 -0.04 6.66 -4.23 -1.26 -5.07 115.64 112.49 1ekj s THR 240 Ca 0.01 -2.09 -0.03 0.00 -1.18 0.00 0.00 61.69 58.40 1ekj s THR 240 Cb 0.01 -2.40 -0.27 0.00 1.34 0.00 0.00 72.50 71.18 1ekj s THR 240 CO 0.01 -0.32 0.70 0.44 -0.54 0.00 0.00 174.62 174.90 1ekj h ASP 241 N 2.35 0.38 0.00 3.99 5.19 -2.03 -3.45 116.42 122.85 1ekj h ASP 241 Ca -0.39 -0.62 0.00 0.00 -0.62 0.00 0.00 57.03 55.40 1ekj h ASP 241 Cb 1.23 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.62 1ekj h ASP 241 CO 0.66 1.53 -0.24 0.49 -3.12 0.00 0.00 179.24 178.57 1ekj n PHE 242 N -3.43 0.00 0.04 4.55 3.01 -1.26 -4.84 117.46 115.53 1ekj n PHE 242 Ca -0.21 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.13 1ekj n PHE 242 Cb 1.05 0.00 -0.05 0.00 -0.01 0.00 0.00 39.48 40.47 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 0.28 -0.31 4.37 2.04 -2.00 0.30 117.51 122.19 1ekj h ILE 243 Ca 0.00 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 1ekj h ILE 243 Cb 0.24 0.28 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 1ekj h ILE 243 CO 0.00 0.00 0.13 -0.33 0.00 0.00 0.00 178.15 177.95 1ekj h GLU 244 N -0.45 0.27 -0.83 2.37 5.08 -1.92 -0.62 114.58 118.47 1ekj h GLU 244 Ca 0.07 -0.02 0.18 0.00 -1.00 0.00 0.00 59.36 58.60 1ekj h GLU 244 Cb 0.57 -0.06 -0.11 0.00 0.50 0.00 0.00 28.75 29.64 1ekj h GLU 244 CO -0.31 0.18 0.34 0.93 -1.00 0.00 0.00 179.01 179.15 1ekj h GLU 245 N 0.28 0.41 0.02 2.33 4.39 -1.70 -1.84 114.58 118.46 1ekj h GLU 245 Ca 0.13 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.81 1ekj h GLU 245 Cb 0.08 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 28.64 1ekj h GLU 245 CO -0.12 0.27 -0.01 2.35 -1.16 0.00 0.00 179.01 180.34 1ekj h TRP 246 N 0.42 -0.02 0.00 4.33 2.91 -0.46 -3.31 115.95 119.81 1ekj h TRP 246 Ca 0.49 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.51 1ekj h TRP 246 Cb 0.84 0.01 0.00 0.00 -0.51 0.00 0.00 29.16 29.49 1ekj h TRP 246 CO -0.16 0.68 0.00 1.33 -1.03 0.00 0.00 178.44 179.26 1ekj n VAL 247 N -4.75 0.68 0.30 2.65 0.24 -0.28 -2.04 118.33 115.12 1ekj n VAL 247 Ca -0.09 0.17 0.16 0.00 -2.04 0.00 0.00 64.34 62.54 1ekj n VAL 247 Cb 0.35 -0.90 0.93 0.00 -1.47 0.00 0.00 33.84 32.76 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 -1.25 7.34 2.10 -1.43 0.13 116.57 123.46 1ekj h LYS 248 Ca 0.00 0.00 0.37 0.00 -2.00 0.00 0.00 60.65 59.02 1ekj h LYS 248 Cb 0.20 0.00 -0.09 0.00 -0.90 0.00 0.00 32.23 31.44 1ekj h LYS 248 CO 0.00 0.00 0.85 0.82 -2.00 0.00 0.00 179.45 179.12 1ekj h ILE 249 N 0.00 0.33 -0.13 0.07 2.04 -1.64 0.37 117.51 118.54 1ekj h ILE 249 Ca 0.00 -0.05 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1ekj h ILE 249 Cb 0.02 0.16 0.00 0.00 -0.74 0.00 0.00 36.82 36.26 1ekj h ILE 249 CO -0.00 0.03 0.00 0.61 0.00 0.00 0.00 178.15 178.79 1ekj n GLY 250 N -1.62 -0.17 0.37 5.37 0.00 0.45 -4.42 105.19 105.16 1ekj n GLY 250 Ca 0.31 -0.27 0.09 0.00 0.00 0.00 0.00 46.02 46.14 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 1.27 0.81 -1.37 0.99 3.38 -0.40 -0.85 115.31 119.13 1ekj h LEU 251 Ca 0.00 0.04 -0.04 0.00 0.09 0.00 0.00 57.88 57.97 1ekj h LEU 251 Cb 0.28 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1ekj h LEU 251 CO 0.00 0.43 0.01 1.55 0.09 0.00 0.00 178.44 180.52 1ekj h PRO 252 N 0.87 0.43 -0.38 1.13 0.13 -1.82 0.18 132.00 132.54 1ekj h PRO 252 Ca 0.47 -0.08 -0.13 0.00 -0.87 0.00 0.00 66.00 65.39 1ekj h PRO 252 Cb 0.56 -0.07 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1ekj h PRO 252 CO -0.23 0.45 -0.27 0.00 -0.23 0.00 0.00 178.00 177.71 1ekj h ALA 253 N 1.61 0.55 -0.22 -0.56 0.00 -1.47 -1.53 119.26 117.62 1ekj h ALA 253 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ekj h ALA 253 Cb 0.26 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 1ekj h ALA 253 CO 0.01 0.56 0.15 -0.22 0.00 0.00 0.00 179.25 179.74 1ekj h LYS 254 N 0.66 0.29 -0.86 0.00 3.64 -0.72 -1.45 116.57 118.14 1ekj h LYS 254 Ca 0.07 -0.02 0.06 0.00 -1.27 0.00 0.00 60.65 59.49 1ekj h LYS 254 Cb 0.85 -0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.54 1ekj h LYS 254 CO 0.07 0.19 0.53 0.00 -2.27 0.00 0.00 179.45 177.98 1ekj h ALA 255 N 1.08 1.17 -0.01 5.00 0.00 -0.51 -1.21 119.26 124.77 1ekj h ALA 255 Ca 0.08 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 1ekj h ALA 255 Cb -0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1ekj h ALA 255 CO -0.02 0.30 0.00 -0.22 0.00 0.00 0.00 179.25 179.31 1ekj h LYS 256 N 0.99 0.02 -0.46 0.00 3.64 -0.82 -1.76 116.57 118.17 1ekj h LYS 256 Ca 0.37 -0.00 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1ekj h LYS 256 Cb 0.14 -0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1ekj h LYS 256 CO -0.16 0.21 0.27 0.28 -2.27 0.00 0.00 179.45 177.78 1ekj h VAL 257 N -0.17 1.06 -0.48 2.00 2.07 -1.12 -0.28 116.25 119.32 1ekj h VAL 257 Ca 0.00 -0.19 -0.05 0.00 0.82 0.00 0.00 66.70 67.28 1ekj h VAL 257 Cb 0.20 0.45 -0.02 0.00 -1.52 0.00 0.00 31.29 30.40 1ekj h VAL 257 CO -0.00 0.10 0.07 0.11 0.02 0.00 0.00 177.57 177.87 1ekj h LYS 258 N 0.55 0.74 -0.14 1.57 6.56 -1.20 0.98 116.57 125.63 1ekj h LYS 258 Ca 0.18 -0.16 -0.15 0.00 -1.06 0.00 0.00 60.65 59.46 1ekj h LYS 258 Cb 0.00 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.55 1ekj h LYS 258 CO -0.08 0.70 -0.54 0.00 -2.06 0.00 0.00 179.45 177.48 1ekj h ALA 259 N 1.37 0.81 0.00 3.86 0.00 -0.55 -1.13 119.26 123.62 1ekj h ALA 259 Ca 0.15 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1ekj h ALA 259 Cb 0.33 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1ekj h ALA 259 CO 0.01 0.68 -1.29 1.04 0.00 0.00 0.00 179.25 179.69 1ekj n GLN 260 N -3.95 0.75 -0.57 0.00 6.02 -0.19 -4.56 117.38 114.89 1ekj n GLN 260 Ca -0.03 -0.07 0.00 0.00 -0.01 0.00 0.00 57.00 56.89 1ekj n GLN 260 Cb 0.58 -1.41 0.00 0.00 1.02 0.00 0.00 30.24 30.44 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 -1.74 0.00 -0.43 1.08 8.25 0.33 -4.96 115.22 117.75 1ekj n HIS 261 Ca 0.01 -0.04 0.36 0.00 -0.26 0.00 0.00 57.72 57.79 1ekj n HIS 261 Cb 0.38 -0.03 0.64 0.00 1.12 0.00 0.00 29.99 32.09 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 0.07 1.37 1.55 -1.41 0.00 -1.02 0.11 103.07 103.74 1ekj h GLY 262 Ca -0.02 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.19 1ekj h GLY 262 CO 0.00 -0.41 -0.21 1.22 0.00 0.00 0.00 176.54 177.14 1ekj n ASP 263 N -4.73 0.22 -4.73 0.19 10.43 -1.26 -4.95 116.55 111.72 1ekj n ASP 263 Ca 0.37 0.15 -0.34 0.00 2.57 0.00 0.00 54.79 57.54 1ekj n ASP 263 Cb 1.40 -0.18 0.08 0.00 1.84 0.00 0.00 41.12 44.27 1ekj n ASP 263 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1ekj s ALA 264 N -2.98 2.19 0.61 2.24 0.00 0.38 -4.96 121.76 119.24 1ekj s ALA 264 Ca 0.13 0.87 -0.19 0.00 0.00 0.00 0.00 51.96 52.78 1ekj s ALA 264 Cb 0.18 -3.46 -0.03 0.00 0.00 0.00 0.00 23.12 19.82 1ekj s ALA 264 CO 0.60 -1.76 1.24 -1.25 0.00 0.00 0.00 175.76 174.59 1ekj s PRO 265 N -3.86 2.85 0.31 0.00 0.04 -1.26 -4.72 135.00 128.36 1ekj s PRO 265 Ca 0.74 1.91 0.07 0.00 0.04 0.00 0.00 61.00 63.77 1ekj s PRO 265 Cb -0.29 -1.91 0.85 0.00 0.04 0.00 0.00 34.50 33.19 1ekj s PRO 265 CO 0.44 -1.33 1.67 0.35 0.04 0.00 0.00 177.00 178.17 1ekj h PHE 266 N 0.80 0.67 -0.78 0.56 3.57 -1.97 -0.51 116.94 119.27 1ekj h PHE 266 Ca -0.51 0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.04 1ekj h PHE 266 Cb 1.31 -0.14 -0.04 0.00 2.79 0.00 0.00 35.95 39.87 1ekj h PHE 266 CO 0.45 -0.14 0.51 0.00 -2.23 0.00 0.00 178.31 176.90 1ekj h ALA 267 N 1.78 1.43 -0.10 2.41 0.00 -2.00 0.00 119.26 122.79 1ekj h ALA 267 Ca 0.62 -0.06 -0.19 0.00 0.00 0.00 0.00 54.91 55.28 1ekj h ALA 267 Cb 1.29 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ekj h ALA 267 CO -0.60 0.52 -0.68 0.93 0.00 0.00 0.00 179.25 179.43 1ekj h GLU 268 N 1.06 0.64 -0.98 0.00 5.08 -1.46 -2.66 114.58 116.25 1ekj h GLU 268 Ca 0.28 -0.55 0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1ekj h GLU 268 Cb -0.11 0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.19 1ekj h GLU 268 CO -0.06 1.17 0.63 -0.07 -1.00 0.00 0.00 179.01 179.68 1ekj h LEU 269 N 0.29 0.95 -0.20 1.33 3.38 -1.02 0.93 115.31 120.96 1ekj h LEU 269 Ca -0.06 0.03 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ekj h LEU 269 Cb 1.33 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.90 1ekj h LEU 269 CO 0.14 0.55 0.11 0.00 0.09 0.00 0.00 178.44 179.33 1ekj h THR 271 N 0.21 1.03 -0.12 0.00 2.02 -0.97 0.13 112.91 115.21 1ekj h THR 271 Ca 0.07 -0.07 0.04 0.00 0.77 0.00 0.00 66.41 67.21 1ekj h THR 271 Cb 0.09 0.98 -0.04 0.00 -1.74 0.00 0.00 68.15 67.44 1ekj h THR 271 CO -0.01 0.03 -0.12 0.45 0.37 0.00 0.00 175.52 176.24 1ekj h HIS 272 N 0.06 -0.30 -0.60 3.16 -0.00 -0.75 -2.43 115.15 114.28 1ekj h HIS 272 Ca 0.02 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.39 1ekj h HIS 272 Cb 0.01 0.15 -0.03 0.00 -0.00 0.00 0.00 27.41 27.55 1ekj h HIS 272 CO -0.07 -0.18 0.28 0.00 -0.00 0.00 0.00 177.93 177.96 1ekj h GLU 274 N 0.85 1.24 -0.02 0.00 5.08 -0.58 0.18 114.58 121.32 1ekj h GLU 274 Ca 0.21 -0.12 -0.26 0.00 -1.00 0.00 0.00 59.36 58.19 1ekj h GLU 274 Cb 0.10 -0.25 0.02 0.00 0.50 0.00 0.00 28.75 29.12 1ekj h GLU 274 CO -0.03 0.88 -1.00 0.87 -1.00 0.00 0.00 179.01 178.74 1ekj h LYS 275 N 1.25 0.69 0.00 2.33 1.57 -0.97 -3.10 116.57 118.34 1ekj h LYS 275 Ca 0.32 -0.71 -0.10 0.00 -1.87 0.00 0.00 60.65 58.29 1ekj h LYS 275 Cb -0.02 0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 1ekj h LYS 275 CO -0.06 1.30 -0.49 0.93 -0.57 0.00 0.00 179.45 180.56 1ekj h GLU 276 N 0.40 0.00 -0.40 3.15 4.39 -1.05 -2.42 114.58 118.65 1ekj h GLU 276 Ca -0.11 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.50 1ekj h GLU 276 Cb 1.64 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 30.28 1ekj h GLU 276 CO 0.20 0.49 -0.12 0.00 -1.16 0.00 0.00 179.01 178.41 1ekj h ALA 277 N 1.51 1.04 -0.29 3.43 0.00 -0.66 0.29 119.26 124.57 1ekj h ALA 277 Ca -0.00 -0.31 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1ekj h ALA 277 Cb 0.94 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1ekj h ALA 277 CO 0.06 0.58 0.08 0.28 0.00 0.00 0.00 179.25 180.26 1ekj h VAL 278 N 0.65 1.21 -0.74 0.00 2.07 -1.39 -1.24 116.25 116.81 1ekj h VAL 278 Ca 0.11 -0.69 0.02 0.00 0.82 0.00 0.00 66.70 66.95 1ekj h VAL 278 Cb 0.58 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.43 1ekj h VAL 278 CO 0.04 0.23 0.49 0.78 0.02 0.00 0.00 177.57 179.13 1ekj h ASN 279 N 0.31 0.82 -0.77 0.57 2.35 -0.92 -0.03 115.58 117.92 1ekj h ASN 279 Ca 0.09 -0.02 -0.05 0.00 -0.55 0.00 0.00 56.30 55.77 1ekj h ASN 279 Cb 0.27 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.41 1ekj h ASN 279 CO -0.00 0.59 0.27 0.00 -1.65 0.00 0.00 177.43 176.64 1ekj h ALA 280 N 1.55 1.02 -0.26 -0.83 0.00 -0.12 -1.32 119.26 119.30 1ekj h ALA 280 Ca 0.28 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 1ekj h ALA 280 Cb -0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.42 1ekj h ALA 280 CO -0.07 0.67 -0.35 0.77 0.00 0.00 0.00 179.25 180.27 1ekj h SER 281 N 1.14 0.60 -0.47 0.00 0.02 -0.23 -0.34 113.55 114.26 1ekj h SER 281 Ca 0.25 -0.25 -0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1ekj h SER 281 Cb 0.27 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.62 1ekj h SER 281 CO -0.01 0.90 0.17 -0.07 -1.14 0.00 0.00 176.83 176.68 1ekj h LEU 282 N 0.49 0.67 -0.85 5.07 3.38 -0.85 -0.49 115.31 122.72 1ekj h LEU 282 Ca 0.05 -0.19 0.03 0.00 0.09 0.00 0.00 57.88 57.87 1ekj h LEU 282 Cb 0.83 -0.17 -0.05 0.00 0.09 0.00 0.00 40.66 41.36 1ekj h LEU 282 CO 0.07 0.67 0.55 1.23 0.09 0.00 0.00 178.44 181.05 1ekj h GLY 283 N 0.63 1.24 2.00 0.83 0.00 -0.87 -2.42 103.07 104.48 1ekj h GLY 283 Ca 0.16 -0.42 -0.06 0.00 0.00 0.00 0.00 47.33 47.01 1ekj h GLY 283 CO -0.01 0.36 -0.26 3.43 0.00 0.00 0.00 176.54 180.06 1ekj h ASN 284 N 1.07 0.00 0.04 0.19 2.35 -0.16 -1.64 115.58 117.43 1ekj h ASN 284 Ca 0.34 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 56.03 1ekj h ASN 284 Cb 0.00 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.36 1ekj h ASN 284 CO -0.12 0.26 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.69 1ekj h LEU 285 N 0.00 0.25 0.00 1.61 3.38 -0.62 -2.19 115.31 117.74 1ekj h LEU 285 Ca -0.00 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 57.91 1ekj h LEU 285 Cb 0.59 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.27 1ekj h LEU 285 CO 0.03 0.44 0.00 0.18 0.09 0.00 0.00 178.44 179.18 1ekj n LEU 286 N -4.23 0.00 -0.27 1.67 4.77 -0.62 -1.55 117.00 116.77 1ekj n LEU 286 Ca -0.01 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.09 1ekj n LEU 286 Cb 0.30 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.56 1ekj n LEU 286 CO 0.39 0.00 0.42 0.35 -1.33 0.00 0.00 177.39 177.22 1ekj n THR 287 N -0.94 0.00 -3.15 -5.08 -2.24 -0.82 -4.77 114.28 97.28 1ekj n THR 287 Ca 0.14 -0.14 -0.41 0.00 -2.27 0.00 0.00 64.05 61.37 1ekj n THR 287 Cb 0.06 0.74 -0.07 0.00 -2.10 0.00 0.00 70.33 68.97 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 -2.62 3.20 0.33 4.78 1.51 -0.60 -4.58 117.35 119.38 1ekj s TYR 288 Ca 0.19 0.48 0.05 0.00 -1.01 0.00 0.00 57.07 56.78 1ekj s TYR 288 Cb 0.18 -2.97 0.70 0.00 -0.11 0.00 0.00 41.96 39.76 1ekj s TYR 288 CO 0.61 -0.49 1.88 -1.35 -1.11 0.00 0.00 175.55 175.09 1ekj h PRO 289 N 8.26 0.80 0.00 -1.71 0.11 -1.87 0.54 132.00 138.14 1ekj h PRO 289 Ca -0.27 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.79 1ekj h PRO 289 Cb 1.12 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.05 1ekj h PRO 289 CO 0.79 0.53 0.00 0.27 -0.21 0.00 0.00 178.00 179.38 1ekj h PHE 290 N 0.83 0.00 0.02 0.65 -5.15 -1.94 -1.18 116.94 110.16 1ekj h PHE 290 Ca 0.43 0.00 -0.08 0.00 -0.20 0.00 0.00 57.97 58.12 1ekj h PHE 290 Cb 0.52 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.69 1ekj h PHE 290 CO -0.00 0.00 -0.31 0.28 -2.00 0.00 0.00 178.31 176.28 1ekj h VAL 291 N 0.00 1.56 -0.65 0.88 2.07 -1.19 -2.88 116.25 116.04 1ekj h VAL 291 Ca 0.00 -2.07 0.06 0.00 0.82 0.00 0.00 66.70 65.50 1ekj h VAL 291 Cb 0.59 2.88 -0.05 0.00 -1.52 0.00 0.00 31.29 33.19 1ekj h VAL 291 CO 0.00 0.57 0.36 0.03 0.02 0.00 0.00 177.57 178.55 1ekj h ARG 292 N -0.52 0.66 -0.36 1.57 3.08 -1.13 -1.81 114.38 115.86 1ekj h ARG 292 Ca -0.04 -0.04 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 1ekj h ARG 292 Cb 1.10 -0.15 -0.02 0.00 0.08 0.00 0.00 29.97 30.99 1ekj h ARG 292 CO 0.06 0.44 0.04 1.49 -1.07 0.00 0.00 179.97 180.92 1ekj h GLU 293 N 0.68 0.55 -0.07 0.04 4.81 -1.31 0.10 114.58 119.38 1ekj h GLU 293 Ca 0.29 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 59.23 1ekj h GLU 293 Cb 0.17 -0.09 -0.00 0.00 0.63 0.00 0.00 28.75 29.46 1ekj h GLU 293 CO -0.17 0.55 -0.74 0.78 -0.73 0.00 0.00 179.01 178.69 1ekj h GLY 294 N 0.82 0.45 0.82 1.92 0.00 -1.19 -0.89 103.07 105.01 1ekj h GLY 294 Ca 0.12 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.76 1ekj h GLY 294 CO 0.00 0.57 -0.02 1.41 0.00 0.00 0.00 176.54 178.51 1ekj h LEU 295 N 0.27 0.39 -0.82 3.11 3.38 -1.00 -0.03 115.31 120.61 1ekj h LEU 295 Ca -0.03 -0.33 0.01 0.00 0.09 0.00 0.00 57.88 57.61 1ekj h LEU 295 Cb 1.33 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.93 1ekj h LEU 295 CO 0.13 0.63 0.54 0.58 0.09 0.00 0.00 178.44 180.41 1ekj h VAL 296 N 0.14 1.20 0.00 1.22 2.07 -0.69 -2.10 116.25 118.09 1ekj h VAL 296 Ca 0.06 -0.38 0.00 0.00 0.82 0.00 0.00 66.70 67.20 1ekj h VAL 296 Cb 0.44 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 1ekj h VAL 296 CO 0.01 0.20 0.00 0.59 0.02 0.00 0.00 177.57 178.40 1ekj n ASN 297 N -4.52 0.00 -1.62 0.57 3.02 -0.35 -4.89 115.26 107.48 1ekj n ASN 297 Ca 0.09 -1.55 -0.21 0.00 -0.03 0.00 0.00 54.58 52.88 1ekj n ASN 297 Cb 0.02 0.00 -0.09 0.00 -0.61 0.00 0.00 39.78 39.10 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 -0.72 -1.46 0.00 3.52 4.76 -0.68 -4.82 118.16 118.77 1ekj n LYS 298 Ca 0.10 1.23 0.11 0.00 -2.87 0.00 0.00 58.31 56.89 1ekj n LYS 298 Cb 0.05 -5.62 0.04 0.00 -1.84 0.00 0.00 35.03 27.65 1ekj n LYS 298 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1ekj n THR 299 N -2.40 0.00 -4.00 -0.18 -2.24 -0.11 -4.94 114.28 100.42 1ekj n THR 299 Ca -0.21 -0.35 -0.11 0.00 -2.27 0.00 0.00 64.05 61.11 1ekj n THR 299 Cb 0.69 1.34 -0.12 0.00 -2.10 0.00 0.00 70.33 70.14 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 -2.30 2.19 0.10 3.22 2.96 -0.66 -4.46 118.68 119.72 1ekj s LEU 300 Ca 0.22 -0.40 0.06 0.00 -0.22 0.00 0.00 54.13 53.79 1ekj s LEU 300 Cb 0.19 -0.01 -0.03 0.00 0.50 0.00 0.00 46.19 46.84 1ekj s LEU 300 CO 0.47 -0.20 -0.15 0.00 -1.32 0.00 0.00 176.35 175.15 1ekj s ALA 301 N -1.10 1.41 -0.02 5.97 0.00 -0.18 -4.19 121.76 123.65 1ekj s ALA 301 Ca -0.11 -1.15 0.05 0.00 0.00 0.00 0.00 51.96 50.75 1ekj s ALA 301 Cb -0.08 -0.12 -0.01 0.00 0.00 0.00 0.00 23.12 22.91 1ekj s ALA 301 CO -0.00 0.18 -0.17 -0.51 0.00 0.00 0.00 175.76 175.26 1ekj s LEU 302 N -2.02 2.00 0.03 0.00 1.02 -1.26 -1.06 118.68 117.39 1ekj s LEU 302 Ca 0.03 -0.31 -0.06 0.00 0.02 0.00 0.00 54.13 53.81 1ekj s LEU 302 Cb -0.08 -0.89 -0.01 0.00 0.02 0.00 0.00 46.19 45.23 1ekj s LEU 302 CO 0.03 0.20 0.12 -0.54 0.02 0.00 0.00 176.35 176.18 1ekj s LYS 303 N -0.30 0.58 0.17 1.70 1.02 -0.38 -1.61 119.74 120.92 1ekj s LYS 303 Ca 0.04 -0.66 0.09 0.00 0.02 0.00 0.00 55.97 55.46 1ekj s LYS 303 Cb -0.08 0.23 -0.04 0.00 -0.52 0.00 0.00 37.83 37.43 1ekj s LYS 303 CO -0.00 -0.15 -0.10 0.20 -0.92 0.00 0.00 175.35 174.38 1ekj s GLY 304 N -1.96 1.73 0.04 -3.33 0.00 -0.52 -1.50 107.32 101.79 1ekj s GLY 304 Ca -0.07 -1.44 -0.01 0.00 0.00 0.00 0.00 44.72 43.19 1ekj s GLY 304 CO -0.03 -1.46 -0.01 -0.32 0.00 0.00 0.00 173.10 171.28 1ekj s GLY 305 N -2.75 0.36 -0.05 0.20 0.00 0.04 -1.35 107.32 103.77 1ekj s GLY 305 Ca 0.24 -0.95 -0.02 0.00 0.00 0.00 0.00 44.72 43.99 1ekj s GLY 305 CO 0.15 -1.05 0.09 -0.47 0.00 0.00 0.00 173.10 171.82 1ekj s TYR 306 N -3.07 -0.04 -0.25 1.90 5.04 -0.61 -1.18 117.35 119.15 1ekj s TYR 306 Ca -0.01 0.37 -0.06 0.00 -2.44 0.00 0.00 57.07 54.92 1ekj s TYR 306 Cb 0.02 -0.34 -0.02 0.00 0.35 0.00 0.00 41.96 41.96 1ekj s TYR 306 CO -0.07 -0.20 0.04 -0.47 -1.34 0.00 0.00 175.55 173.52 1ekj s TYR 307 N 1.96 3.06 -0.43 4.97 5.04 -0.28 -1.85 117.35 129.83 1ekj s TYR 307 Ca 0.01 -0.61 -0.13 0.00 -2.44 0.00 0.00 57.07 53.91 1ekj s TYR 307 Cb -0.12 -2.21 0.06 0.00 0.35 0.00 0.00 41.96 40.04 1ekj s TYR 307 CO -0.04 -0.43 0.30 0.34 -1.34 0.00 0.00 175.55 174.38 1ekj s ASP 308 N 1.57 5.91 0.00 4.32 -1.08 -0.26 -1.69 116.67 125.44 1ekj s ASP 308 Ca 0.06 -1.24 0.29 0.00 -0.52 0.00 0.00 52.55 51.14 1ekj s ASP 308 Cb -0.15 -2.09 1.30 0.00 -1.46 0.00 0.00 42.92 40.52 1ekj s ASP 308 CO 0.02 -0.53 1.88 2.22 0.52 0.00 0.00 175.17 179.28 1ekj n PHE 309 N 5.07 0.01 -0.10 -5.34 1.16 -1.26 0.21 117.46 117.21 1ekj n PHE 309 Ca -0.11 -0.00 -0.20 0.00 -1.87 0.00 0.00 57.45 55.26 1ekj n PHE 309 Cb 0.44 0.00 -0.12 0.00 -1.61 0.00 0.00 39.48 38.20 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 1.57 1.09 0.00 1.97 2.07 -1.93 -3.37 116.25 117.65 1ekj h VAL 310 Ca 0.00 -2.21 -0.05 0.00 0.82 0.00 0.00 66.70 65.26 1ekj h VAL 310 Cb 0.33 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.55 1ekj h VAL 310 CO 0.00 0.37 -0.97 0.11 0.02 0.00 0.00 177.57 177.10 1ekj h LYS 311 N -1.00 0.00 -3.30 1.57 6.56 -1.99 -3.49 116.57 114.93 1ekj h LYS 311 Ca -0.28 0.00 -0.05 0.00 -1.06 0.00 0.00 60.65 59.26 1ekj h LYS 311 Cb 1.24 0.00 0.04 0.00 -0.57 0.00 0.00 32.23 32.94 1ekj h LYS 311 CO -0.17 0.10 -0.15 0.41 -2.06 0.00 0.00 179.45 177.58 1ekj n GLY 312 N 1.23 0.50 3.18 3.86 0.00 0.13 -5.08 105.19 109.01 1ekj n GLY 312 Ca -0.02 -0.17 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 -3.10 0.36 -0.08 1.61 1.04 -0.56 -4.98 113.70 107.99 1ekj s SER 313 Ca 0.07 -1.27 -0.04 0.00 0.48 0.00 0.00 55.95 55.19 1ekj s SER 313 Cb -0.01 0.30 0.04 0.00 0.10 0.00 0.00 66.02 66.45 1ekj s SER 313 CO 0.13 -0.75 0.18 0.12 0.98 0.00 0.00 173.24 173.90 1ekj s PHE 314 N -4.04 -0.22 -0.02 5.02 5.36 -1.26 -1.10 117.98 121.71 1ekj s PHE 314 Ca 0.30 0.58 0.07 0.00 -0.96 0.00 0.00 56.93 56.91 1ekj s PHE 314 Cb 0.07 -0.02 -0.02 0.00 -0.34 0.00 0.00 43.02 42.71 1ekj s PHE 314 CO 0.06 -0.18 -0.24 -1.21 -1.46 0.00 0.00 175.22 172.19 1ekj s GLU 315 N 1.06 2.17 0.06 10.12 2.02 -0.77 -4.98 118.70 128.37 1ekj s GLU 315 Ca -0.08 -0.90 0.06 0.00 0.02 0.00 0.00 54.97 54.07 1ekj s GLU 315 Cb -0.10 -2.10 -0.03 0.00 0.10 0.00 0.00 34.13 32.01 1ekj s GLU 315 CO -0.06 0.57 -0.16 -1.17 0.02 0.00 0.00 175.26 174.45 1ekj s LEU 316 N -0.66 2.22 0.07 1.80 2.96 -1.26 -1.57 118.68 122.23 1ekj s LEU 316 Ca 0.10 -0.55 -0.08 0.00 -0.22 0.00 0.00 54.13 53.39 1ekj s LEU 316 Cb -0.10 -0.69 -0.00 0.00 0.50 0.00 0.00 46.19 45.89 1ekj s LEU 316 CO -0.01 0.03 0.17 -1.66 -1.32 0.00 0.00 176.35 173.57 1ekj s TRP 317 N -1.00 0.15 0.28 5.38 -2.14 -0.46 -5.00 118.94 116.15 1ekj s TRP 317 Ca 0.03 -0.51 0.10 0.00 2.66 0.00 0.00 56.10 58.37 1ekj s TRP 317 Cb -0.09 -0.08 -0.05 0.00 -3.10 0.00 0.00 33.47 30.16 1ekj s TRP 317 CO 0.02 -0.48 -0.04 0.20 -2.66 0.00 0.00 176.95 173.99 1ekj s GLY 318 N -2.57 1.74 -0.04 3.67 0.00 -1.26 -1.43 107.32 107.43 1ekj s GLY 318 Ca 0.01 -1.73 0.06 0.00 0.00 0.00 0.00 44.72 43.06 1ekj s GLY 318 CO -0.08 -1.78 -0.20 -2.27 0.00 0.00 0.00 173.10 168.76 1ekj s LEU 319 N -3.65 2.37 -0.09 0.66 0.20 -0.63 -4.92 118.68 112.63 1ekj s LEU 319 Ca 0.32 -0.34 0.03 0.00 0.69 0.00 0.00 54.13 54.82 1ekj s LEU 319 Cb -0.06 -1.44 -0.01 0.00 -0.43 0.00 0.00 46.19 44.25 1ekj s LEU 319 CO 0.19 0.33 -0.18 -1.61 -0.29 0.00 0.00 176.35 174.79 1ekj s GLU 320 N -0.64 2.92 -0.08 1.98 2.02 -1.26 -4.44 118.70 119.20 1ekj s GLU 320 Ca 0.10 -0.77 -0.06 0.00 0.02 0.00 0.00 54.97 54.26 1ekj s GLU 320 Cb -0.10 -2.41 0.03 0.00 0.10 0.00 0.00 34.13 31.74 1ekj s GLU 320 CO -0.00 0.35 0.20 0.12 0.02 0.00 0.00 175.26 175.95 1ekj s PHE 321 N -0.05 -0.23 0.25 1.61 5.36 -1.26 -5.16 117.98 118.50 1ekj s PHE 321 Ca -0.05 0.57 -0.20 0.00 -0.96 0.00 0.00 56.93 56.30 1ekj s PHE 321 Cb -0.14 0.06 0.02 0.00 -0.34 0.00 0.00 43.02 42.62 1ekj s PHE 321 CO 0.04 -0.13 0.64 0.20 -1.46 0.00 0.00 175.22 174.51 1ekj s GLY 322 N 0.38 -0.08 -0.01 13.12 0.00 -1.26 -4.47 107.32 115.00 1ekj s GLY 322 Ca -0.02 -0.26 0.01 0.00 0.00 0.00 0.00 44.72 44.45 1ekj s GLY 322 CO -0.02 -0.15 -0.04 1.08 0.00 0.00 0.00 173.10 173.97 1ekj s LEU 323 N -2.90 1.92 -0.01 0.66 1.43 -1.26 -5.06 118.68 113.46 1ekj s LEU 323 Ca 0.11 -0.08 0.00 0.00 -1.03 0.00 0.00 54.13 53.13 1ekj s LEU 323 Cb -0.04 -0.24 0.01 0.00 0.03 0.00 0.00 46.19 45.95 1ekj s LEU 323 CO 0.03 0.04 0.00 -0.94 0.23 0.00 0.00 176.35 175.71 1ekj s SER 324 N 0.01 0.11 0.14 2.29 1.04 -1.26 -5.09 113.70 110.95 1ekj s SER 324 Ca 0.00 0.00 -0.31 0.00 0.48 0.00 0.00 55.95 56.13 1ekj s SER 324 Cb -0.03 -0.05 -0.08 0.00 0.10 0.00 0.00 66.02 65.96 1ekj s SER 324 CO -0.00 -0.04 1.36 -0.55 0.98 0.00 0.00 173.24 174.99 1ekj s SER 325 N 0.40 6.85 -0.23 7.02 0.15 -1.26 -4.93 113.70 121.70 1ekj s SER 325 Ca -0.03 2.35 -0.13 0.00 0.70 0.00 0.00 55.95 58.83 1ekj s SER 325 Cb -0.05 -2.59 -0.10 0.00 -1.71 0.00 0.00 66.02 61.57 1ekj s SER 325 CO -0.01 -0.61 -0.32 0.41 1.20 0.00 0.00 173.24 173.91 1ekj n THR 326 N 3.52 1.39 -3.56 6.45 -1.04 -1.26 -5.08 114.28 114.69 1ekj n THR 326 Ca 0.10 -0.25 -0.08 0.00 -2.04 0.00 0.00 64.05 61.78 1ekj n THR 326 Cb 0.42 -1.92 -0.02 0.00 -1.82 0.00 0.00 70.33 67.00 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 -2.52 -0.32 -0.15 -1.42 -0.12 -1.26 -5.14 117.98 107.05 1ekj s PHE 327 Ca -0.33 0.13 -0.04 0.00 -0.05 0.00 0.00 56.93 56.63 1ekj s PHE 327 Cb 0.12 0.57 0.08 0.00 -0.63 0.00 0.00 43.02 43.15 1ekj s PHE 327 CO 0.43 -0.66 0.23 0.45 -0.05 0.00 0.00 175.22 175.62 1ekj s SER 328 N -2.63 0.82 0.00 1.98 0.15 -1.26 -5.29 113.70 107.47 1ekj s SER 328 Ca 0.06 0.22 0.00 0.00 0.70 0.00 0.00 55.95 56.93 1ekj s SER 328 Cb -0.01 0.52 0.00 0.00 -1.71 0.00 0.00 66.02 64.82 1ekj s SER 328 CO -0.07 -0.28 0.17 1.33 1.20 0.00 0.00 173.24 175.60