#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekj s PRO 117 N 0.00 3.72 -0.13 0.38 0.04 -1.26 -4.99 135.00 132.76 1ekj s PRO 117 Ca 0.00 1.97 0.15 0.00 0.04 0.00 0.00 61.00 63.16 1ekj s PRO 117 Cb 0.00 -2.50 0.33 0.00 0.04 0.00 0.00 34.50 32.38 1ekj s PRO 117 CO 0.00 -0.64 1.17 1.63 0.04 0.00 0.00 177.00 179.20 1ekj n LYS 118 N -0.37 1.09 -2.00 4.56 4.01 -1.26 -5.11 118.16 119.07 1ekj n LYS 118 Ca 0.07 -2.63 0.00 0.00 -0.51 0.00 0.00 58.31 55.24 1ekj n LYS 118 Cb 0.46 -1.23 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 1ekj n LYS 118 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 1ekj n SER 119 N -0.87 -8.50 -0.16 4.39 3.41 -1.26 -4.12 113.62 106.51 1ekj n SER 119 Ca 0.14 1.38 -0.02 0.00 -0.26 0.00 0.00 58.87 60.11 1ekj n SER 119 Cb 0.74 -4.89 0.06 0.00 -0.26 0.00 0.00 64.21 59.86 1ekj n SER 119 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1ekj h GLU 120 N 3.81 0.14 0.07 4.33 4.11 -1.99 -2.68 114.58 122.37 1ekj h GLU 120 Ca 0.00 -0.01 0.02 0.00 0.07 0.00 0.00 59.36 59.45 1ekj h GLU 120 Cb 0.00 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.17 1ekj h GLU 120 CO 0.00 0.09 -0.34 0.00 0.07 0.00 0.00 179.01 178.83 1ekj h ALA 121 N 1.43 -0.56 -0.38 1.06 0.00 -1.99 0.34 119.26 119.16 1ekj h ALA 121 Ca 0.25 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.10 1ekj h ALA 121 Cb 0.37 0.58 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1ekj h ALA 121 CO -0.39 -0.88 0.14 0.77 0.00 0.00 0.00 179.25 178.90 1ekj h SER 122 N -0.54 0.48 0.09 0.00 0.02 -1.74 -0.71 113.55 111.15 1ekj h SER 122 Ca 0.04 -0.05 -0.22 0.00 -0.84 0.00 0.00 61.79 60.73 1ekj h SER 122 Cb 0.59 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 63.02 1ekj h SER 122 CO -0.23 0.45 -0.82 -0.08 -1.14 0.00 0.00 176.83 175.00 1ekj h GLU 123 N 0.53 0.59 -0.69 3.45 4.57 -1.14 -2.03 114.58 119.86 1ekj h GLU 123 Ca 0.13 -0.52 0.03 0.00 -1.18 0.00 0.00 59.36 57.82 1ekj h GLU 123 Cb 0.12 0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 1ekj h GLU 123 CO -0.01 1.14 0.43 -0.09 -1.18 0.00 0.00 179.01 179.30 1ekj h ARG 124 N 0.38 0.80 -0.37 1.92 9.65 0.46 -1.46 114.38 125.76 1ekj h ARG 124 Ca -0.06 -0.05 -0.12 0.00 -1.10 0.00 0.00 59.98 58.66 1ekj h ARG 124 Cb 1.43 -0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 29.82 1ekj h ARG 124 CO 0.15 0.53 -0.23 0.82 2.80 0.00 0.00 179.97 184.05 1ekj h ILE 125 N 0.83 1.28 -0.53 1.20 2.04 -1.02 -1.44 117.51 119.86 1ekj h ILE 125 Ca 0.28 -1.37 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 1ekj h ILE 125 Cb 0.04 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.45 1ekj h ILE 125 CO -0.12 0.45 0.30 0.50 0.00 0.00 0.00 178.15 179.29 1ekj h LYS 126 N 0.61 0.73 -0.27 2.37 3.64 -1.06 -1.80 116.57 120.79 1ekj h LYS 126 Ca 0.08 -0.08 -0.18 0.00 -1.27 0.00 0.00 60.65 59.20 1ekj h LYS 126 Cb 0.79 -0.15 -0.00 0.00 -0.41 0.00 0.00 32.23 32.46 1ekj h LYS 126 CO 0.06 0.55 -0.55 1.79 -2.27 0.00 0.00 179.45 179.04 1ekj h THR 127 N 0.71 1.28 0.04 1.00 1.35 -1.24 -1.04 112.91 115.01 1ekj h THR 127 Ca 0.19 -1.74 0.02 0.00 -0.55 0.00 0.00 66.41 64.32 1ekj h THR 127 Cb 0.02 1.65 -0.03 0.00 -1.73 0.00 0.00 68.15 68.07 1ekj h THR 127 CO -0.03 0.56 -0.15 1.23 -0.25 0.00 0.00 175.52 176.88 1ekj h GLY 128 N 0.77 -0.22 1.80 5.82 0.00 -1.11 0.25 103.07 110.39 1ekj h GLY 128 Ca 0.01 0.17 -0.07 0.00 0.00 0.00 0.00 47.33 47.45 1ekj h GLY 128 CO 0.12 -0.14 -0.23 -2.75 0.00 0.00 0.00 176.54 173.53 1ekj h PHE 129 N -0.27 0.25 -0.22 5.60 3.57 -1.31 -1.77 116.94 122.80 1ekj h PHE 129 Ca 0.04 -0.04 -0.13 0.00 3.53 0.00 0.00 57.97 61.36 1ekj h PHE 129 Cb 0.31 -0.07 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 1ekj h PHE 129 CO -0.18 0.45 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.87 1ekj h LEU 130 N 0.21 0.54 0.45 0.59 3.38 -0.59 0.76 115.31 120.65 1ekj h LEU 130 Ca 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1ekj h LEU 130 Cb 0.53 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1ekj h LEU 130 CO 0.04 0.89 -0.21 -0.74 0.09 0.00 0.00 178.44 178.50 1ekj h HIS 131 N 0.42 -0.56 -0.64 1.13 2.76 -0.02 -2.70 115.15 115.54 1ekj h HIS 131 Ca 0.04 -0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.28 1ekj h HIS 131 Cb 0.90 0.18 -0.07 0.00 1.55 0.00 0.00 27.41 29.97 1ekj h HIS 131 CO 0.03 -0.31 0.28 0.35 -1.30 0.00 0.00 177.93 176.99 1ekj h PHE 132 N -0.68 0.50 -0.11 5.26 3.57 -1.16 -0.67 116.94 123.66 1ekj h PHE 132 Ca -0.06 0.03 0.01 0.00 3.53 0.00 0.00 57.97 61.48 1ekj h PHE 132 Cb 0.50 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.10 1ekj h PHE 132 CO -0.03 0.16 0.03 -0.22 -2.23 0.00 0.00 178.31 176.03 1ekj h LYS 133 N 0.50 0.08 0.02 1.11 3.11 -0.73 0.95 116.57 121.61 1ekj h LYS 133 Ca 0.32 -0.00 -0.03 0.00 -2.81 0.00 0.00 60.65 58.12 1ekj h LYS 133 Cb 0.36 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.57 1ekj h LYS 133 CO -0.28 0.05 -0.14 0.87 -2.81 0.00 0.00 179.45 177.14 1ekj h LYS 134 N 0.08 0.05 0.00 1.90 1.57 -1.42 0.13 116.57 118.88 1ekj h LYS 134 Ca 0.05 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 1ekj h LYS 134 Cb 0.03 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.37 1ekj h LYS 134 CO -0.06 1.04 -0.17 0.93 -0.57 0.00 0.00 179.45 180.63 1ekj h GLU 135 N -0.90 0.00 0.00 3.15 4.39 -1.20 -3.32 114.58 116.71 1ekj h GLU 135 Ca -0.02 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1ekj h GLU 135 Cb 1.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1ekj h GLU 135 CO 0.02 0.17 -0.02 1.63 -1.16 0.00 0.00 179.01 179.65 1ekj n LYS 136 N -3.20 0.00 0.15 2.33 5.02 -0.12 -4.53 118.16 117.81 1ekj n LYS 136 Ca 0.02 0.00 -0.17 0.00 -2.02 0.00 0.00 58.31 56.14 1ekj n LYS 136 Cb 0.51 -0.33 -0.10 0.00 -0.02 0.00 0.00 35.03 35.09 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 -1.49 0.00 2.13 3.20 -0.94 -1.68 116.97 118.20 1ekj h TYR 137 Ca 0.00 0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.89 1ekj h TYR 137 Cb 0.02 0.62 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 1ekj h TYR 137 CO 0.00 -0.61 -0.07 -0.44 -1.64 0.00 0.00 178.16 175.39 1ekj h ASP 138 N -0.80 0.00 0.74 -2.11 3.32 -0.89 -2.64 116.42 114.03 1ekj h ASP 138 Ca -0.02 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.03 1ekj h ASP 138 Cb 0.78 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.33 1ekj h ASP 138 CO -0.24 0.07 0.00 1.17 -1.72 0.00 0.00 179.24 178.52 1ekj n LYS 139 N -3.34 0.06 -3.07 3.56 4.81 -0.66 -4.02 118.16 115.50 1ekj n LYS 139 Ca -0.01 0.22 -0.18 0.00 -0.87 0.00 0.00 58.31 57.47 1ekj n LYS 139 Cb 0.25 -1.60 -0.03 0.00 0.02 0.00 0.00 35.03 33.68 1ekj n LYS 139 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1ekj n ASN 140 N -1.71 -0.43 -0.11 3.14 3.02 -0.99 -4.98 115.26 113.20 1ekj n ASN 140 Ca 0.04 -2.96 0.14 0.00 -0.03 0.00 0.00 54.58 51.77 1ekj n ASN 140 Cb 0.24 0.02 0.52 0.00 -0.61 0.00 0.00 39.78 39.95 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 3.68 0.37 -0.15 3.52 0.13 -1.70 -1.99 132.00 135.86 1ekj h PRO 141 Ca 0.02 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.95 1ekj h PRO 141 Cb 0.95 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 32.00 1ekj h PRO 141 CO 0.42 0.24 -0.62 0.00 -0.23 0.00 0.00 178.00 177.81 1ekj h ALA 142 N 1.68 0.27 0.89 -0.56 0.00 -1.93 -1.91 119.26 117.69 1ekj h ALA 142 Ca 0.32 -0.54 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1ekj h ALA 142 Cb 0.72 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1ekj h ALA 142 CO -0.09 0.54 -0.43 1.25 0.00 0.00 0.00 179.25 180.52 1ekj h LEU 143 N 0.36 -1.01 -1.94 0.00 5.85 -1.78 -2.54 115.31 114.25 1ekj h LEU 143 Ca -0.04 0.03 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1ekj h LEU 143 Cb 1.25 0.26 0.00 0.00 0.37 0.00 0.00 40.66 42.54 1ekj h LEU 143 CO 0.13 -0.66 0.00 1.88 -0.34 0.00 0.00 178.44 179.45 1ekj h TYR 144 N -1.32 0.00 -0.13 1.25 -1.99 -1.56 -1.65 116.97 111.57 1ekj h TYR 144 Ca -0.12 0.00 -0.09 0.00 2.00 0.00 0.00 58.73 60.52 1ekj h TYR 144 Cb 0.92 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.63 1ekj h TYR 144 CO 0.00 0.00 -0.32 0.78 -0.00 0.00 0.00 178.16 178.62 1ekj h GLY 145 N 1.32 0.28 0.20 3.88 0.00 -1.10 -1.01 103.07 106.64 1ekj h GLY 145 Ca 0.00 -0.23 -0.10 0.00 0.00 0.00 0.00 47.33 46.99 1ekj h GLY 145 CO 0.00 0.21 -0.52 0.83 0.00 0.00 0.00 176.54 177.07 1ekj h GLU 146 N 0.22 0.09 -0.53 4.80 4.39 -0.92 -3.30 114.58 119.34 1ekj h GLU 146 Ca 0.03 -0.15 0.15 0.00 0.34 0.00 0.00 59.36 59.73 1ekj h GLU 146 Cb 0.68 0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 29.37 1ekj h GLU 146 CO 0.05 1.07 0.39 -0.07 -1.16 0.00 0.00 179.01 179.30 1ekj h LEU 147 N -0.80 0.00 -2.24 1.33 4.07 -1.30 0.67 115.31 117.04 1ekj h LEU 147 Ca -0.12 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.84 1ekj h LEU 147 Cb 1.26 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.00 1ekj h LEU 147 CO 0.00 0.00 0.00 0.00 -1.08 0.00 0.00 178.44 177.36 1ekj h ALA 148 N 1.71 1.00 0.00 1.53 0.00 -1.25 -2.22 119.26 120.03 1ekj h ALA 148 Ca 0.25 0.00 -0.21 0.00 0.00 0.00 0.00 54.91 54.96 1ekj h ALA 148 Cb 1.04 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 1ekj h ALA 148 CO -0.00 0.00 -1.53 1.63 0.00 0.00 0.00 179.25 179.35 1ekj n LYS 149 N -2.93 0.63 0.00 0.00 5.02 0.23 -5.06 118.16 116.05 1ekj n LYS 149 Ca -0.01 0.24 0.00 0.00 -2.02 0.00 0.00 58.31 56.51 1ekj n LYS 149 Cb 0.14 -1.79 0.00 0.00 -0.02 0.00 0.00 35.03 33.36 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 1.45 -0.39 3.12 0.72 0.00 -0.84 -5.15 105.19 104.10 1ekj n GLY 150 Ca -0.12 -1.11 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 1.25 -0.36 1.61 -2.07 -1.26 -4.31 119.66 112.52 1ekj s GLN 151 Ca 0.00 -0.54 0.14 0.00 -1.82 0.00 0.00 55.36 53.14 1ekj s GLN 151 Cb 0.00 -1.20 0.38 0.00 -1.09 0.00 0.00 33.01 31.10 1ekj s GLN 151 CO 0.00 0.32 0.81 -1.13 -1.32 0.00 0.00 175.29 173.97 1ekj n SER 152 N 2.74 0.89 -4.73 12.60 3.41 -1.26 -4.99 113.62 122.28 1ekj n SER 152 Ca -0.15 -2.93 -0.42 0.00 -0.26 0.00 0.00 58.87 55.11 1ekj n SER 152 Cb 0.55 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.97 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 -2.53 4.19 0.00 4.33 0.04 -1.16 -4.90 135.00 134.96 1ekj s PRO 153 Ca 0.35 2.45 0.29 0.00 0.04 0.00 0.00 61.00 64.13 1ekj s PRO 153 Cb 0.38 -3.10 1.23 0.00 0.04 0.00 0.00 34.50 33.05 1ekj s PRO 153 CO -0.04 -0.61 1.90 -0.35 0.04 0.00 0.00 177.00 177.94 1ekj n PRO 154 N 3.27 0.13 -4.41 0.56 -0.04 -1.12 -4.21 135.00 129.19 1ekj n PRO 154 Ca 0.12 -0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.29 1ekj n PRO 154 Cb 0.38 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.22 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 -2.88 2.31 -0.10 0.54 0.40 -1.06 -0.97 117.98 116.23 1ekj s PHE 155 Ca 0.18 -0.36 0.00 0.00 -0.60 0.00 0.00 56.93 56.15 1ekj s PHE 155 Cb 0.19 -1.18 0.02 0.00 0.51 0.00 0.00 43.02 42.56 1ekj s PHE 155 CO 0.53 0.45 -0.09 1.41 0.70 0.00 0.00 175.22 178.22 1ekj s MET 156 N -2.47 1.56 -0.01 0.44 -2.45 -0.15 -1.05 119.30 115.16 1ekj s MET 156 Ca 0.19 -0.30 0.07 0.00 -1.25 0.00 0.00 55.69 54.40 1ekj s MET 156 Cb -0.09 -1.51 -0.02 0.00 1.25 0.00 0.00 34.83 34.46 1ekj s MET 156 CO 0.09 -0.17 -0.23 0.08 1.05 0.00 0.00 175.02 175.83 1ekj s VAL 157 N 1.37 1.82 -0.24 10.11 1.01 0.19 -0.75 120.40 133.90 1ekj s VAL 157 Ca -0.01 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 60.93 1ekj s VAL 157 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1ekj s VAL 157 CO -0.04 0.50 -0.04 -0.36 0.00 0.00 0.00 175.10 175.16 1ekj s PHE 158 N -0.55 3.01 0.24 5.22 0.40 0.10 -0.24 117.98 126.16 1ekj s PHE 158 Ca 0.09 -1.17 0.01 0.00 -0.60 0.00 0.00 56.93 55.25 1ekj s PHE 158 Cb -0.09 -2.10 -0.05 0.00 0.51 0.00 0.00 43.02 41.29 1ekj s PHE 158 CO -0.01 -0.62 0.10 0.00 0.70 0.00 0.00 175.22 175.39 1ekj s ALA 159 N 1.42 1.60 0.51 5.36 0.00 -0.64 -0.94 121.76 129.07 1ekj s ALA 159 Ca 0.04 -1.83 -0.15 0.00 0.00 0.00 0.00 51.96 50.02 1ekj s ALA 159 Cb -0.15 1.11 -0.07 0.00 0.00 0.00 0.00 23.12 24.01 1ekj s ALA 159 CO -0.03 -0.48 0.95 0.00 0.00 0.00 0.00 175.76 176.19 1ekj h SER 161 N 0.82 0.00 -0.67 0.00 0.02 -1.75 -3.43 113.55 108.55 1ekj h SER 161 Ca -0.47 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 59.93 1ekj h SER 161 Cb 1.19 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.75 1ekj h SER 161 CO 0.62 0.15 0.20 -0.67 -1.14 0.00 0.00 176.83 175.99 1ekj n ASP 162 N -3.36 0.30 0.12 3.07 -0.08 -1.26 -4.77 116.55 110.57 1ekj n ASP 162 Ca -0.00 0.78 0.10 0.00 -1.51 0.00 0.00 54.79 54.16 1ekj n ASP 162 Cb 0.36 -0.60 0.47 0.00 2.34 0.00 0.00 41.12 43.68 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 1.64 0.52 -0.58 1.67 3.41 -1.26 -2.34 113.62 116.68 1ekj n SER 163 Ca 0.16 0.66 0.12 0.00 -0.26 0.00 0.00 58.87 59.56 1ekj n SER 163 Cb 0.02 -0.76 0.42 0.00 -0.26 0.00 0.00 64.21 63.62 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 -2.12 1.78 -2.24 4.33 1.74 -1.26 -4.42 116.66 114.48 1ekj n ARG 164 Ca 0.01 -1.16 -0.06 0.00 -0.77 0.00 0.00 57.85 55.88 1ekj n ARG 164 Cb 0.15 -1.44 0.05 0.00 -1.02 0.00 0.00 32.46 30.20 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 0.39 1.52 -1.64 1.55 0.24 -0.99 -5.02 118.33 114.38 1ekj n VAL 165 Ca 0.17 -3.05 -0.46 0.00 -2.04 0.00 0.00 64.34 58.97 1ekj n VAL 165 Cb 0.37 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.15 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 10.92 0.00 0.00 0.00 0.13 -1.96 -0.00 132.00 141.09 1ekj h PRO 167 Ca -0.45 0.00 -0.06 0.00 -0.87 0.00 0.00 66.00 64.62 1ekj h PRO 167 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 1ekj h PRO 167 CO 0.96 0.00 -0.27 0.77 -0.23 0.00 0.00 178.00 179.23 1ekj h SER 168 N 0.00 0.00 0.00 1.44 0.02 -1.87 -2.56 113.55 110.58 1ekj h SER 168 Ca 0.22 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.15 1ekj h SER 168 Cb 0.90 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.44 1ekj h SER 168 CO -0.00 0.27 -0.38 0.45 -1.14 0.00 0.00 176.83 176.03 1ekj h HIS 169 N 0.00 0.00 -0.17 3.45 3.86 -1.36 -2.09 115.15 118.84 1ekj h HIS 169 Ca -0.00 0.00 0.05 0.00 -1.16 0.00 0.00 60.37 59.26 1ekj h HIS 169 Cb 0.48 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 1ekj h HIS 169 CO 0.00 0.15 0.32 0.28 0.86 0.00 0.00 177.93 179.54 1ekj h VAL 170 N -1.00 0.21 0.00 2.45 2.07 -1.36 -2.42 116.25 116.20 1ekj h VAL 170 Ca -0.03 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1ekj h VAL 170 Cb 0.42 0.72 0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1ekj h VAL 170 CO -0.02 0.00 -0.01 0.18 0.02 0.00 0.00 177.57 177.74 1ekj n LEU 171 N -3.34 0.94 -3.82 2.57 4.77 -0.96 -5.03 117.00 112.12 1ekj n LEU 171 Ca 0.02 -0.99 -0.27 0.00 -0.03 0.00 0.00 56.01 54.74 1ekj n LEU 171 Cb 0.42 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.54 1ekj n LEU 171 CO 0.21 0.25 0.06 -0.67 -1.33 0.00 0.00 177.39 175.90 1ekj n ASP 172 N -0.26 -3.64 -4.70 -1.43 4.64 -0.91 -4.92 116.55 105.33 1ekj n ASP 172 Ca 0.00 -0.78 -0.42 0.00 -1.38 0.00 0.00 54.79 52.21 1ekj n ASP 172 Cb 0.40 -4.01 -0.03 0.00 -1.04 0.00 0.00 41.12 36.44 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 -3.43 3.45 0.40 -0.67 0.40 -0.81 -5.01 117.98 112.30 1ekj s PHE 173 Ca 0.43 1.42 -0.01 0.00 -0.60 0.00 0.00 56.93 58.17 1ekj s PHE 173 Cb -0.21 -3.31 -0.03 0.00 0.51 0.00 0.00 43.02 39.97 1ekj s PHE 173 CO 0.82 -0.83 0.63 -0.65 0.70 0.00 0.00 175.22 175.89 1ekj s GLN 174 N 1.41 3.41 0.25 0.44 -1.52 -1.26 -4.77 119.66 117.62 1ekj s GLN 174 Ca 0.55 -0.23 -0.31 0.00 -1.95 0.00 0.00 55.36 53.42 1ekj s GLN 174 Cb -0.25 -2.57 -0.12 0.00 -0.22 0.00 0.00 33.01 29.85 1ekj s GLN 174 CO 0.26 -0.02 1.61 -0.35 -0.25 0.00 0.00 175.29 176.54 1ekj n PRO 175 N -1.96 2.60 -0.04 2.91 -0.04 -1.26 -1.46 135.00 135.74 1ekj n PRO 175 Ca -0.02 0.93 0.00 0.00 -0.04 0.00 0.00 63.50 64.37 1ekj n PRO 175 Cb 0.56 -2.72 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 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 2.84 0.41 0.11 0.55 0.00 -1.26 -4.95 105.19 102.88 1ekj n GLY 176 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.92 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 0.58 -4.46 1.61 1.02 -0.54 -3.01 120.64 113.83 1ekj n GLU 177 Ca 0.00 0.55 -0.28 0.00 -0.02 0.00 0.00 57.16 57.41 1ekj n GLU 177 Cb 0.00 -1.74 -0.17 0.00 -0.02 0.00 0.00 31.44 29.52 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 -2.38 1.70 -0.28 0.62 0.00 -1.26 -2.55 121.76 117.61 1ekj s ALA 178 Ca -0.29 -0.73 -0.25 0.00 0.00 0.00 0.00 51.96 50.69 1ekj s ALA 178 Cb 0.06 -0.83 0.00 0.00 0.00 0.00 0.00 23.12 22.35 1ekj s ALA 178 CO 0.60 -0.07 0.84 0.12 0.00 0.00 0.00 175.76 177.24 1ekj s PHE 179 N 0.98 3.24 -0.06 0.00 5.36 -0.21 -4.93 117.98 122.35 1ekj s PHE 179 Ca -0.07 0.98 0.03 0.00 -0.96 0.00 0.00 56.93 56.92 1ekj s PHE 179 Cb -0.15 -3.21 -0.02 0.00 -0.34 0.00 0.00 43.02 39.30 1ekj s PHE 179 CO -0.01 -0.53 -0.16 0.08 -1.46 0.00 0.00 175.22 173.14 1ekj s VAL 180 N 3.00 2.92 -0.10 3.12 1.01 -1.26 -0.64 120.40 128.44 1ekj s VAL 180 Ca 0.35 -0.76 0.03 0.00 0.00 0.00 0.00 61.98 61.59 1ekj s VAL 180 Cb -0.14 -2.14 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 1ekj s VAL 180 CO 0.11 0.58 -0.19 -0.69 0.00 0.00 0.00 175.10 174.91 1ekj s VAL 181 N -0.50 2.57 -0.06 2.92 1.01 0.67 -4.96 120.40 122.05 1ekj s VAL 181 Ca 0.06 -0.85 0.02 0.00 0.00 0.00 0.00 61.98 61.22 1ekj s VAL 181 Cb -0.12 -2.02 0.01 0.00 0.00 0.00 0.00 36.38 34.25 1ekj s VAL 181 CO 0.01 0.55 -0.11 -0.13 0.00 0.00 0.00 175.10 175.43 1ekj s ARG 182 N 0.17 1.50 0.33 2.72 0.52 -1.26 -1.62 118.95 121.32 1ekj s ARG 182 Ca -0.11 -0.35 -0.14 0.00 -0.52 0.00 0.00 55.73 54.61 1ekj s ARG 182 Cb -0.16 -1.27 0.03 0.00 0.52 0.00 0.00 34.95 34.07 1ekj s ARG 182 CO 0.06 0.01 0.66 0.54 0.02 0.00 0.00 175.30 176.60 1ekj s ASN 183 N 0.68 0.11 -0.13 0.23 2.20 -0.99 -4.76 114.94 112.28 1ekj s ASN 183 Ca -0.13 -1.07 -0.29 0.00 -0.94 0.00 0.00 52.86 50.43 1ekj s ASN 183 Cb -0.15 0.75 -0.06 0.00 -2.00 0.00 0.00 41.25 39.78 1ekj s ASN 183 CO 0.03 -1.46 2.06 -0.69 -2.94 0.00 0.00 177.10 174.11 1ekj s VAL 184 N -3.07 3.09 -0.99 3.54 1.01 -1.26 -2.26 120.40 120.47 1ekj s VAL 184 Ca 0.19 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.26 1ekj s VAL 184 Cb -0.04 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.25 1ekj s VAL 184 CO 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 175.10 175.18 1ekj n ALA 185 N 9.86 -0.21 -4.39 5.51 0.00 -1.26 -3.82 120.51 126.20 1ekj n ALA 185 Ca 0.25 0.13 -0.38 0.00 0.00 0.00 0.00 53.44 53.44 1ekj n ALA 185 Cb 0.44 -1.28 -0.07 0.00 0.00 0.00 0.00 19.45 18.54 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 0.24 -1.58 -4.78 0.00 6.94 -0.98 -4.89 115.26 110.22 1ekj n ASN 186 Ca -0.11 -1.18 -0.39 0.00 -0.02 0.00 0.00 54.58 52.88 1ekj n ASN 186 Cb 0.44 -1.99 -0.06 0.00 -2.36 0.00 0.00 39.78 35.82 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 -7.26 4.53 -0.40 -4.53 1.43 -1.25 -4.81 118.68 106.39 1ekj s LEU 187 Ca 0.60 1.45 -0.04 0.00 -1.03 0.00 0.00 54.13 55.12 1ekj s LEU 187 Cb -0.34 -3.14 0.10 0.00 0.03 0.00 0.00 46.19 42.84 1ekj s LEU 187 CO 0.99 0.17 0.19 -0.69 0.23 0.00 0.00 176.35 177.24 1ekj s VAL 188 N -0.79 3.38 0.88 -1.59 1.01 -1.26 -5.00 120.40 117.03 1ekj s VAL 188 Ca 0.34 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.31 1ekj s VAL 188 Cb -0.21 -3.24 0.12 0.00 0.00 0.00 0.00 36.38 33.04 1ekj s VAL 188 CO 0.23 -0.60 1.09 -2.16 0.00 0.00 0.00 175.10 173.66 1ekj s PRO 189 N 1.19 1.43 0.70 2.72 0.04 -1.26 -4.67 135.00 135.15 1ekj s PRO 189 Ca 0.06 0.84 -0.11 0.00 0.04 0.00 0.00 61.00 61.83 1ekj s PRO 189 Cb -0.23 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.50 1ekj s PRO 189 CO -0.03 -2.13 1.06 -1.25 0.04 0.00 0.00 177.00 174.69 1ekj s PRO 190 N -4.95 2.90 -0.21 0.56 0.04 -1.26 -4.78 135.00 127.29 1ekj s PRO 190 Ca 0.63 0.92 -0.39 0.00 0.04 0.00 0.00 61.00 62.20 1ekj s PRO 190 Cb -0.18 -1.99 -0.16 0.00 0.04 0.00 0.00 34.50 32.22 1ekj s PRO 190 CO 0.57 -1.12 1.66 0.98 0.04 0.00 0.00 177.00 179.13 1ekj n TYR 191 N -3.14 1.94 -3.17 0.56 9.36 -1.26 -4.85 117.16 116.60 1ekj n TYR 191 Ca 0.07 0.56 0.04 0.00 3.32 0.00 0.00 57.90 61.90 1ekj n TYR 191 Cb 0.54 -2.43 -0.01 0.00 -0.63 0.00 0.00 39.34 36.80 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 2.92 -1.12 0.48 2.98 -1.08 -1.26 -5.02 116.67 114.56 1ekj s ASP 192 Ca 0.96 0.74 0.27 0.00 -0.52 0.00 0.00 52.55 54.00 1ekj s ASP 192 Cb -1.05 1.96 0.99 0.00 -1.46 0.00 0.00 42.92 43.36 1ekj s ASP 192 CO 0.62 -0.21 1.85 1.56 0.52 0.00 0.00 175.17 179.51 1ekj h GLN 193 N 7.99 0.00 0.13 4.34 4.20 -1.93 -1.26 115.11 128.58 1ekj h GLN 193 Ca -0.20 0.00 -0.33 0.00 0.06 0.00 0.00 58.65 58.17 1ekj h GLN 193 Cb 1.16 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.93 1ekj h GLN 193 CO 0.16 0.13 -1.73 0.00 -0.67 0.00 0.00 178.83 176.72 1ekj h ALA 194 N 1.87 0.34 0.00 3.87 0.00 -2.01 -3.38 119.26 119.95 1ekj h ALA 194 Ca -0.00 -1.23 -0.15 0.00 0.00 0.00 0.00 54.91 53.53 1ekj h ALA 194 Cb 0.71 0.46 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1ekj h ALA 194 CO 0.02 1.20 -1.78 1.63 0.00 0.00 0.00 179.25 180.32 1ekj n LYS 195 N -3.45 1.38 -2.41 0.00 5.02 -1.23 -4.75 118.16 112.72 1ekj n LYS 195 Ca -0.23 -0.05 -0.17 0.00 -2.02 0.00 0.00 58.31 55.85 1ekj n LYS 195 Cb 1.05 -1.32 0.02 0.00 -0.02 0.00 0.00 35.03 34.77 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 -2.29 2.31 0.12 2.13 0.53 -0.48 -4.83 117.16 114.65 1ekj n TYR 196 Ca -0.14 -2.46 0.03 0.00 -1.02 0.00 0.00 57.90 54.30 1ekj n TYR 196 Cb 0.71 -0.26 0.40 0.00 -1.03 0.00 0.00 39.34 39.16 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 2.48 1.53 0.03 -0.72 0.00 -1.73 -2.43 119.26 118.42 1ekj h ALA 197 Ca 0.17 -0.19 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1ekj h ALA 197 Cb 1.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 1ekj h ALA 197 CO 0.60 0.33 -0.11 0.78 0.00 0.00 0.00 179.25 180.85 1ekj h GLY 198 N 0.71 -0.16 0.89 0.00 0.00 -1.92 -1.44 103.07 101.13 1ekj h GLY 198 Ca 0.05 0.13 -0.02 0.00 0.00 0.00 0.00 47.33 47.49 1ekj h GLY 198 CO 0.02 -0.12 -0.19 -0.84 0.00 0.00 0.00 176.54 175.41 1ekj h THR 199 N -0.21 0.60 -0.54 4.70 2.02 -1.92 -2.93 112.91 114.64 1ekj h THR 199 Ca 0.03 -0.21 0.06 0.00 0.77 0.00 0.00 66.41 67.06 1ekj h THR 199 Cb 0.24 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.33 1ekj h THR 199 CO -0.09 0.04 0.36 1.23 0.37 0.00 0.00 175.52 177.43 1ekj h GLY 200 N -0.67 0.63 1.71 2.16 0.00 -1.44 -0.96 103.07 104.49 1ekj h GLY 200 Ca -0.06 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 46.95 1ekj h GLY 200 CO 0.09 0.16 -0.43 0.00 0.00 0.00 0.00 176.54 176.35 1ekj h ALA 201 N 1.70 1.00 -0.33 3.60 0.00 -1.19 0.22 119.26 124.27 1ekj h ALA 201 Ca 0.23 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.61 1ekj h ALA 201 Cb 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1ekj h ALA 201 CO -0.06 0.62 -0.15 0.00 0.00 0.00 0.00 179.25 179.65 1ekj h ALA 202 N 1.28 0.47 -0.15 0.00 0.00 -1.04 -0.54 119.26 119.28 1ekj h ALA 202 Ca 0.02 -0.34 -0.08 0.00 0.00 0.00 0.00 54.91 54.51 1ekj h ALA 202 Cb 0.88 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1ekj h ALA 202 CO 0.07 0.37 -0.22 0.82 0.00 0.00 0.00 179.25 180.30 1ekj h ILE 203 N 0.46 1.36 -0.18 0.00 2.04 -1.06 -1.00 117.51 119.13 1ekj h ILE 203 Ca 0.07 -1.44 0.04 0.00 1.00 0.00 0.00 64.86 64.54 1ekj h ILE 203 Cb 0.69 1.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.66 1ekj h ILE 203 CO 0.05 0.43 -0.06 -0.08 0.00 0.00 0.00 178.15 178.48 1ekj h GLU 204 N 0.04 -0.03 -0.04 2.37 4.81 -0.52 0.61 114.58 121.81 1ekj h GLU 204 Ca 0.02 0.00 -0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1ekj h GLU 204 Cb 0.78 0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.17 1ekj h GLU 204 CO 0.05 -0.02 0.02 -0.92 -0.73 0.00 0.00 179.01 177.41 1ekj h TYR 205 N -0.03 0.06 0.23 0.92 3.20 -1.09 -1.06 116.97 119.20 1ekj h TYR 205 Ca 0.09 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 61.97 1ekj h TYR 205 Cb 0.17 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.38 1ekj h TYR 205 CO -0.22 0.17 -0.39 0.00 -1.64 0.00 0.00 178.16 176.08 1ekj h ALA 206 N 0.89 -0.76 0.11 1.82 0.00 -0.88 0.43 119.26 120.86 1ekj h ALA 206 Ca 0.01 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1ekj h ALA 206 Cb 0.13 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.54 1ekj h ALA 206 CO -0.00 -0.98 -0.05 0.28 0.00 0.00 0.00 179.25 178.50 1ekj h VAL 207 N -0.70 1.11 0.10 0.00 2.07 -0.89 -0.81 116.25 117.13 1ekj h VAL 207 Ca 0.00 -1.04 -0.28 0.00 0.82 0.00 0.00 66.70 66.21 1ekj h VAL 207 Cb 0.68 1.75 -0.01 0.00 -1.52 0.00 0.00 31.29 32.19 1ekj h VAL 207 CO -0.16 0.24 -1.36 -0.07 0.02 0.00 0.00 177.57 176.24 1ekj h LEU 208 N -0.64 0.33 0.00 2.57 3.38 -1.28 -3.11 115.31 116.56 1ekj h LEU 208 Ca -0.01 -0.41 -0.42 0.00 0.09 0.00 0.00 57.88 57.13 1ekj h LEU 208 Cb 0.51 -0.11 -0.06 0.00 0.09 0.00 0.00 40.66 41.08 1ekj h LEU 208 CO 0.02 1.33 -2.32 1.41 0.09 0.00 0.00 178.44 178.98 1ekj n HIS 209 N -3.45 0.21 0.28 1.13 8.25 -0.67 -4.53 115.22 116.43 1ekj n HIS 209 Ca -0.11 0.08 0.12 0.00 -0.26 0.00 0.00 57.72 57.55 1ekj n HIS 209 Cb 1.02 -1.02 0.17 0.00 1.12 0.00 0.00 29.99 31.28 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 -0.85 0.00 -0.91 2.41 3.38 -0.76 -3.48 115.31 115.11 1ekj h LEU 210 Ca -0.63 -0.01 -0.31 0.00 0.09 0.00 0.00 57.88 57.02 1ekj h LEU 210 Cb 1.61 0.00 0.11 0.00 0.09 0.00 0.00 40.66 42.47 1ekj h LEU 210 CO -0.34 0.01 -0.53 0.29 0.09 0.00 0.00 178.44 177.96 1ekj n LYS 211 N -2.85 -6.16 -0.82 1.13 4.76 -0.37 -4.72 118.16 109.13 1ekj n LYS 211 Ca 0.03 0.64 -0.32 0.00 -2.87 0.00 0.00 58.31 55.80 1ekj n LYS 211 Cb 0.51 -5.12 0.16 0.00 -1.84 0.00 0.00 35.03 28.74 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 -3.25 2.05 -0.11 -0.18 -7.23 -0.84 -4.93 120.40 105.92 1ekj s VAL 212 Ca 0.44 0.02 0.12 0.00 -1.81 0.00 0.00 61.98 60.75 1ekj s VAL 212 Cb -0.20 -2.15 -0.18 0.00 0.56 0.00 0.00 36.38 34.42 1ekj s VAL 212 CO 0.56 -0.02 0.30 -1.20 -0.31 0.00 0.00 175.10 174.44 1ekj n SER 213 N -3.96 1.95 -4.06 4.85 7.64 -0.14 -4.80 113.62 115.09 1ekj n SER 213 Ca 0.12 -0.13 -0.14 0.00 1.01 0.00 0.00 58.87 59.73 1ekj n SER 213 Cb 0.52 1.46 -0.12 0.00 -1.01 0.00 0.00 64.21 65.06 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 -3.18 0.94 -0.12 6.43 0.01 -0.46 -1.27 114.94 117.28 1ekj s ASN 214 Ca -0.03 -0.49 -0.00 0.00 -0.71 0.00 0.00 52.86 51.63 1ekj s ASN 214 Cb 0.08 0.01 0.02 0.00 0.41 0.00 0.00 41.25 41.77 1ekj s ASN 214 CO 0.50 -0.14 -0.09 -0.63 -1.51 0.00 0.00 177.10 175.23 1ekj s ILE 215 N -1.16 1.15 -0.11 0.60 1.01 -0.41 -0.98 121.20 121.29 1ekj s ILE 215 Ca -0.07 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.24 1ekj s ILE 215 Cb -0.09 -1.13 0.00 0.00 0.01 0.00 0.00 42.46 41.25 1ekj s ILE 215 CO 0.01 0.39 -0.23 -0.69 0.00 0.00 0.00 174.94 174.41 1ekj s VAL 216 N 1.59 2.03 -0.29 2.92 1.01 0.07 -1.27 120.40 126.45 1ekj s VAL 216 Ca 0.04 -0.99 -0.05 0.00 0.00 0.00 0.00 61.98 60.98 1ekj s VAL 216 Cb -0.13 -1.77 0.02 0.00 0.00 0.00 0.00 36.38 34.50 1ekj s VAL 216 CO -0.08 0.55 0.05 -0.69 0.00 0.00 0.00 175.10 174.93 1ekj s VAL 217 N 0.53 3.61 -0.19 2.92 1.01 -0.53 0.00 120.40 127.75 1ekj s VAL 217 Ca -0.14 -0.91 -0.02 0.00 0.00 0.00 0.00 61.98 60.91 1ekj s VAL 217 Cb -0.17 -2.91 -0.00 0.00 0.00 0.00 0.00 36.38 33.30 1ekj s VAL 217 CO 0.05 0.04 -0.10 -0.63 0.00 0.00 0.00 175.10 174.46 1ekj s ILE 218 N 1.42 2.95 0.53 2.22 1.01 -0.11 0.35 121.20 129.57 1ekj s ILE 218 Ca 0.01 -0.65 0.06 0.00 0.00 0.00 0.00 60.65 60.07 1ekj s ILE 218 Cb -0.18 -2.30 0.06 0.00 0.01 0.00 0.00 42.46 40.05 1ekj s ILE 218 CO 0.01 0.47 0.74 -0.83 0.00 0.00 0.00 174.94 175.33 1ekj s GLY 219 N 1.20 1.83 0.14 6.18 0.00 -0.42 -4.26 107.32 111.99 1ekj s GLY 219 Ca 0.02 -1.80 -0.11 0.00 0.00 0.00 0.00 44.72 42.83 1ekj s GLY 219 CO -0.04 -1.45 0.31 -2.38 0.00 0.00 0.00 173.10 169.54 1ekj s HIS 220 N -2.63 0.13 0.44 1.90 -3.43 -1.26 -1.45 115.29 108.98 1ekj s HIS 220 Ca 0.59 -0.50 -0.24 0.00 -0.80 0.00 0.00 55.06 54.11 1ekj s HIS 220 Cb -0.08 0.07 -0.08 0.00 -1.43 0.00 0.00 32.58 31.06 1ekj s HIS 220 CO 0.37 -0.69 1.23 -1.54 -2.00 0.00 0.00 174.74 172.11 1ekj s SER 221 N -2.89 6.21 -1.19 7.38 1.04 -0.39 -3.66 113.70 120.21 1ekj s SER 221 Ca 0.09 2.47 -0.05 0.00 0.48 0.00 0.00 55.95 58.94 1ekj s SER 221 Cb 0.03 -2.62 -0.02 0.00 0.10 0.00 0.00 66.02 63.51 1ekj s SER 221 CO -0.06 -0.90 0.83 0.00 0.98 0.00 0.00 173.24 174.09 1ekj n ALA 222 N -0.20 -2.23 -2.68 5.32 0.00 -1.26 -4.83 120.51 114.62 1ekj n ALA 222 Ca 0.06 -0.08 -0.41 0.00 0.00 0.00 0.00 53.44 53.01 1ekj n ALA 222 Cb 0.46 -3.41 -0.04 0.00 0.00 0.00 0.00 19.45 16.45 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 7.91 1.04 0.43 0.00 0.00 -1.94 -2.15 103.07 108.36 1ekj h GLY 224 Ca -0.33 -0.64 0.05 0.00 0.00 0.00 0.00 47.33 46.41 1ekj h GLY 224 CO 0.80 0.60 -0.15 -1.33 0.00 0.00 0.00 176.54 176.46 1ekj h GLY 225 N 0.88 -0.05 0.99 4.60 0.00 -1.93 -2.41 103.07 105.15 1ekj h GLY 225 Ca 0.19 0.18 -0.04 0.00 0.00 0.00 0.00 47.33 47.66 1ekj h GLY 225 CO -0.00 -0.15 0.20 -2.22 0.00 0.00 0.00 176.54 174.37 1ekj h ILE 226 N -0.17 1.23 -0.92 2.60 1.08 -1.91 -2.55 117.51 116.88 1ekj h ILE 226 Ca 0.11 -0.77 0.04 0.00 -0.39 0.00 0.00 64.86 63.85 1ekj h ILE 226 Cb 0.32 0.66 -0.06 0.00 -3.07 0.00 0.00 36.82 34.67 1ekj h ILE 226 CO -0.26 0.29 0.59 0.50 -0.69 0.00 0.00 178.15 178.58 1ekj h LYS 227 N 0.80 1.10 -0.10 2.37 3.64 -1.19 -1.76 116.57 121.42 1ekj h LYS 227 Ca 0.19 -0.07 -0.00 0.00 -1.27 0.00 0.00 60.65 59.50 1ekj h LYS 227 Cb 0.25 -0.25 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ekj h LYS 227 CO -0.01 0.73 0.05 0.78 -2.27 0.00 0.00 179.45 178.73 1ekj h GLY 228 N 1.13 0.15 -0.35 5.01 0.00 -1.28 -0.37 103.07 107.35 1ekj h GLY 228 Ca 0.38 -0.07 0.14 0.00 0.00 0.00 0.00 47.33 47.77 1ekj h GLY 228 CO -0.14 0.07 -0.17 -2.00 0.00 0.00 0.00 176.54 174.31 1ekj h LEU 229 N 0.06 -0.62 -0.84 3.11 5.85 -0.94 0.58 115.31 122.51 1ekj h LEU 229 Ca 0.04 0.20 -0.09 0.00 0.84 0.00 0.00 57.88 58.87 1ekj h LEU 229 Cb 0.09 0.42 -0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ekj h LEU 229 CO -0.01 -0.22 -0.12 -0.07 -0.34 0.00 0.00 178.44 177.68 1ekj h LEU 230 N 0.00 0.73 0.06 2.25 3.38 -0.97 -3.24 115.31 117.52 1ekj h LEU 230 Ca 0.33 -0.22 -0.27 0.00 0.09 0.00 0.00 57.88 57.80 1ekj h LEU 230 Cb 0.50 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 1ekj h LEU 230 CO -0.70 0.87 -1.41 0.77 0.09 0.00 0.00 178.44 178.07 1ekj h SER 231 N 0.67 0.20 -3.99 -0.43 4.64 0.37 -3.46 113.55 111.55 1ekj h SER 231 Ca 0.11 -0.28 -0.54 0.00 -0.47 0.00 0.00 61.79 60.62 1ekj h SER 231 Cb 0.59 -0.07 0.11 0.00 -0.31 0.00 0.00 62.40 62.72 1ekj h SER 231 CO 0.04 1.23 0.63 -0.36 -0.87 0.00 0.00 176.83 177.49 1ekj s PHE 232 N -2.64 2.58 -0.24 4.77 2.99 0.19 -4.95 117.98 120.68 1ekj s PHE 232 Ca -0.05 1.37 0.19 0.00 0.00 0.00 0.00 56.93 58.44 1ekj s PHE 232 Cb 0.08 -3.75 0.07 0.00 0.00 0.00 0.00 43.02 39.42 1ekj s PHE 232 CO 0.84 -2.50 1.24 -1.00 -0.00 0.00 0.00 175.22 173.80 1ekj h PRO 233 N 2.20 0.00 -6.89 0.24 0.13 -1.89 -3.48 132.00 122.32 1ekj h PRO 233 Ca -0.50 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.05 1ekj h PRO 233 Cb 1.27 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.22 1ekj h PRO 233 CO 0.61 0.19 -0.93 1.19 -0.23 0.00 0.00 178.00 178.83 1ekj n PHE 234 N -2.97 -1.41 -1.26 1.56 3.01 -1.26 -4.83 117.46 110.30 1ekj n PHE 234 Ca -0.01 0.68 -0.04 0.00 1.01 0.00 0.00 57.45 59.09 1ekj n PHE 234 Cb 0.66 -3.01 0.23 0.00 -0.01 0.00 0.00 39.48 37.34 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 -2.86 3.28 0.00 4.37 5.75 -1.26 -4.89 116.55 120.94 1ekj n ASP 235 Ca -0.24 -3.49 0.00 0.00 -0.01 0.00 0.00 54.79 51.04 1ekj n ASP 235 Cb 0.65 -0.65 0.00 0.00 -1.03 0.00 0.00 41.12 40.09 1ekj n ASP 235 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ekj n GLY 236 N -0.86 0.81 3.55 6.12 0.00 -1.26 -5.04 105.19 108.51 1ekj n GLY 236 Ca 0.35 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 46.03 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 -2.27 3.71 0.01 2.61 -4.23 -1.26 -5.12 115.64 109.09 1ekj s THR 237 Ca 0.00 -0.46 0.06 0.00 -1.18 0.00 0.00 61.69 60.12 1ekj s THR 237 Cb 0.00 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 71.27 1ekj s THR 237 CO 0.00 0.57 -0.20 -0.31 -0.54 0.00 0.00 174.62 174.14 1ekj s TYR 238 N -0.44 1.77 -0.06 3.99 1.51 -1.26 -4.57 117.35 118.29 1ekj s TYR 238 Ca 0.06 -0.35 0.01 0.00 -1.01 0.00 0.00 57.07 55.78 1ekj s TYR 238 Cb -0.12 -1.10 0.02 0.00 -0.11 0.00 0.00 41.96 40.64 1ekj s TYR 238 CO 0.02 0.02 1.01 -1.13 -1.11 0.00 0.00 175.55 174.36 1ekj n SER 239 N 2.31 2.05 -4.16 2.29 3.41 -1.26 -5.03 113.62 113.24 1ekj n SER 239 Ca -0.16 -2.00 -0.15 0.00 -0.26 0.00 0.00 58.87 56.31 1ekj n SER 239 Cb 0.53 -0.01 -0.11 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 -1.00 0.91 0.05 6.66 -4.23 -1.26 -5.05 115.64 111.72 1ekj s THR 240 Ca 0.01 -1.54 -0.18 0.00 -1.18 0.00 0.00 61.69 58.81 1ekj s THR 240 Cb 0.01 -1.24 -0.16 0.00 1.34 0.00 0.00 72.50 72.45 1ekj s THR 240 CO 0.01 -0.50 1.28 0.44 -0.54 0.00 0.00 174.62 175.31 1ekj h ASP 241 N 3.75 0.60 0.00 3.99 5.19 -2.04 -3.44 116.42 124.47 1ekj h ASP 241 Ca -0.37 -0.59 0.00 0.00 -0.62 0.00 0.00 57.03 55.45 1ekj h ASP 241 Cb 1.19 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.53 1ekj h ASP 241 CO 0.50 1.08 -0.45 0.49 -3.12 0.00 0.00 179.24 177.75 1ekj n PHE 242 N -4.29 0.00 -0.23 4.55 3.01 -1.26 -4.83 117.46 114.40 1ekj n PHE 242 Ca -0.07 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.35 1ekj n PHE 242 Cb 0.54 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.02 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 0.16 -0.56 4.37 2.04 -1.99 -0.28 117.51 121.25 1ekj h ILE 243 Ca 0.00 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ekj h ILE 243 Cb 0.45 0.16 -0.03 0.00 -0.74 0.00 0.00 36.82 36.66 1ekj h ILE 243 CO 0.00 0.00 0.26 -0.33 0.00 0.00 0.00 178.15 178.08 1ekj h GLU 244 N -0.13 0.81 -0.36 2.37 5.08 -1.91 -0.47 114.58 119.98 1ekj h GLU 244 Ca 0.26 -0.12 0.08 0.00 -1.00 0.00 0.00 59.36 58.57 1ekj h GLU 244 Cb 0.56 -0.14 -0.08 0.00 0.50 0.00 0.00 28.75 29.58 1ekj h GLU 244 CO -0.73 0.67 -0.22 1.49 -1.00 0.00 0.00 179.01 179.23 1ekj h GLU 245 N 0.76 -0.16 0.59 2.33 4.22 -1.55 -1.44 114.58 119.33 1ekj h GLU 245 Ca 0.19 0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1ekj h GLU 245 Cb 0.13 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.43 1ekj h GLU 245 CO -0.02 -0.11 -0.28 2.35 -2.18 0.00 0.00 179.01 178.77 1ekj h TRP 246 N -0.17 -0.74 0.00 0.92 2.91 -0.85 -3.12 115.95 114.90 1ekj h TRP 246 Ca 0.18 -0.02 0.00 0.00 1.13 0.00 0.00 58.89 60.18 1ekj h TRP 246 Cb 0.44 0.24 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 1ekj h TRP 246 CO -0.43 -0.41 0.00 1.33 -1.03 0.00 0.00 178.44 177.90 1ekj n VAL 247 N -5.37 1.42 0.33 2.65 0.24 -0.20 -1.96 118.33 115.44 1ekj n VAL 247 Ca -0.12 0.36 0.22 0.00 -2.04 0.00 0.00 64.34 62.76 1ekj n VAL 247 Cb 0.35 -1.23 1.14 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.49 7.34 2.10 -1.20 -0.27 116.57 124.05 1ekj h LYS 248 Ca 0.00 0.00 0.14 0.00 -2.00 0.00 0.00 60.65 58.79 1ekj h LYS 248 Cb 0.12 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 31.43 1ekj h LYS 248 CO 0.00 0.00 0.38 0.82 -2.00 0.00 0.00 179.45 178.65 1ekj h ILE 249 N 0.00 0.67 -0.07 0.07 2.04 -1.59 0.96 117.51 119.59 1ekj h ILE 249 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1ekj h ILE 249 Cb 0.09 0.73 0.00 0.00 -0.74 0.00 0.00 36.82 36.90 1ekj h ILE 249 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1ekj n GLY 250 N -1.61 0.12 0.29 5.37 0.00 -0.11 -4.50 105.19 104.75 1ekj n GLY 250 Ca 0.09 -0.44 0.08 0.00 0.00 0.00 0.00 46.02 45.75 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 2.33 -0.24 -1.35 0.99 3.38 -0.93 -0.61 115.31 118.88 1ekj h LEU 251 Ca 0.00 0.20 0.01 0.00 0.09 0.00 0.00 57.88 58.18 1ekj h LEU 251 Cb 0.50 0.33 -0.03 0.00 0.09 0.00 0.00 40.66 41.54 1ekj h LEU 251 CO 0.00 -0.18 0.44 1.55 0.09 0.00 0.00 178.44 180.34 1ekj h PRO 252 N 0.14 0.87 -0.11 1.13 0.13 -1.82 0.97 132.00 133.30 1ekj h PRO 252 Ca 0.47 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.41 1ekj h PRO 252 Cb 0.87 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 31.80 1ekj h PRO 252 CO -0.68 0.58 -0.51 0.00 -0.23 0.00 0.00 178.00 177.16 1ekj h ALA 253 N 1.59 0.92 -0.44 -0.56 0.00 -1.47 -1.49 119.26 117.81 1ekj h ALA 253 Ca 0.24 -0.48 -0.14 0.00 0.00 0.00 0.00 54.91 54.53 1ekj h ALA 253 Cb -0.10 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 1ekj h ALA 253 CO -0.05 0.67 -0.26 -0.22 0.00 0.00 0.00 179.25 179.38 1ekj h LYS 254 N 0.24 0.93 -0.17 0.00 3.64 -0.37 -0.59 116.57 120.27 1ekj h LYS 254 Ca 0.01 -0.42 -0.07 0.00 -1.27 0.00 0.00 60.65 58.90 1ekj h LYS 254 Cb 0.99 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.77 1ekj h LYS 254 CO 0.08 1.08 -0.22 0.00 -2.27 0.00 0.00 179.45 178.12 1ekj h ALA 255 N 0.90 1.31 0.24 5.00 0.00 -0.61 -2.06 119.26 124.03 1ekj h ALA 255 Ca 0.09 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1ekj h ALA 255 Cb 0.83 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ekj h ALA 255 CO 0.07 0.46 -0.11 -0.22 0.00 0.00 0.00 179.25 179.45 1ekj h LYS 256 N 0.27 -0.31 -0.57 0.00 3.64 -0.93 -2.31 116.57 116.36 1ekj h LYS 256 Ca 0.05 0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.59 1ekj h LYS 256 Cb 0.55 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 32.41 1ekj h LYS 256 CO 0.04 -0.04 0.40 -0.39 -2.27 0.00 0.00 179.45 177.19 1ekj h VAL 257 N -1.01 0.77 0.31 2.00 -1.51 -1.14 0.24 116.25 115.91 1ekj h VAL 257 Ca -0.03 -0.04 -0.02 0.00 -1.23 0.00 0.00 66.70 65.38 1ekj h VAL 257 Cb 0.41 0.63 0.00 0.00 -2.13 0.00 0.00 31.29 30.20 1ekj h VAL 257 CO 0.05 0.02 -0.15 0.11 -1.23 0.00 0.00 177.57 176.38 1ekj h LYS 258 N 0.13 -0.40 -0.42 5.19 1.57 -1.42 -1.08 116.57 120.13 1ekj h LYS 258 Ca 0.27 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 59.07 1ekj h LYS 258 Cb 0.91 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 33.29 1ekj h LYS 258 CO -0.04 -0.07 0.22 0.00 -0.57 0.00 0.00 179.45 178.99 1ekj h ALA 259 N -0.39 1.59 0.00 3.86 0.00 -0.72 -2.93 119.26 120.67 1ekj h ALA 259 Ca -0.04 -0.08 -0.07 0.00 0.00 0.00 0.00 54.91 54.71 1ekj h ALA 259 Cb 0.52 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.14 1ekj h ALA 259 CO 0.07 0.34 -0.28 1.96 0.00 0.00 0.00 179.25 181.34 1ekj h GLN 260 N 0.59 0.19 -2.98 0.00 4.20 -0.54 -3.39 115.11 113.18 1ekj h GLN 260 Ca 0.15 -0.21 -0.62 0.00 0.06 0.00 0.00 58.65 58.04 1ekj h GLN 260 Cb 0.04 0.06 -0.42 0.00 0.30 0.00 0.00 27.48 27.46 1ekj h GLN 260 CO -0.02 0.94 -0.58 0.72 -0.67 0.00 0.00 178.83 179.22 1ekj n HIS 261 N -4.48 3.26 0.00 2.96 8.25 -0.41 -5.02 115.22 119.78 1ekj n HIS 261 Ca -0.10 -4.29 0.00 0.00 -0.26 0.00 0.00 57.72 53.07 1ekj n HIS 261 Cb 0.52 -0.61 0.00 0.00 1.12 0.00 0.00 29.99 31.02 1ekj n HIS 261 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ekj n GLY 262 N 1.84 -2.80 1.82 -1.41 0.00 -1.11 -3.51 105.19 100.02 1ekj n GLY 262 Ca 0.21 0.40 -0.17 0.00 0.00 0.00 0.00 46.02 46.47 1ekj n GLY 262 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ekj n ASP 263 N -0.63 4.97 -4.82 1.61 9.92 -1.26 -4.95 116.55 121.39 1ekj n ASP 263 Ca 0.00 -3.04 -0.31 0.00 -0.53 0.00 0.00 54.79 50.91 1ekj n ASP 263 Cb 0.00 -0.86 0.05 0.00 -0.64 0.00 0.00 41.12 39.67 1ekj n ASP 263 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ekj s ALA 264 N -2.01 2.71 0.05 2.24 0.00 -1.23 -4.96 121.76 118.57 1ekj s ALA 264 Ca 0.34 0.06 -0.31 0.00 0.00 0.00 0.00 51.96 52.06 1ekj s ALA 264 Cb 0.28 -3.16 -0.07 0.00 0.00 0.00 0.00 23.12 20.16 1ekj s ALA 264 CO 0.03 -1.18 1.57 -1.25 0.00 0.00 0.00 175.76 174.92 1ekj s PRO 265 N -5.06 4.23 0.17 0.00 0.04 -1.26 -4.80 135.00 128.31 1ekj s PRO 265 Ca 0.58 2.21 0.00 0.00 0.04 0.00 0.00 61.00 63.83 1ekj s PRO 265 Cb -0.14 -3.57 0.40 0.00 0.04 0.00 0.00 34.50 31.23 1ekj s PRO 265 CO 0.55 -0.68 0.87 0.34 0.04 0.00 0.00 177.00 178.12 1ekj n PHE 266 N 5.46 0.33 -0.17 0.56 7.35 -1.26 0.28 117.46 130.02 1ekj n PHE 266 Ca 0.15 0.67 0.10 0.00 -0.76 0.00 0.00 57.45 57.60 1ekj n PHE 266 Cb 0.41 -0.90 0.41 0.00 0.35 0.00 0.00 39.48 39.75 1ekj n PHE 266 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1ekj h ALA 267 N 1.10 1.84 -0.09 3.13 0.00 -2.01 -1.54 119.26 121.70 1ekj h ALA 267 Ca 0.33 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 55.17 1ekj h ALA 267 Cb 0.65 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ekj h ALA 267 CO -0.53 0.01 -0.17 0.93 0.00 0.00 0.00 179.25 179.49 1ekj h GLU 268 N 0.62 0.27 -0.82 0.00 5.08 0.38 -3.15 114.58 116.95 1ekj h GLU 268 Ca 0.33 -0.17 0.13 0.00 -1.00 0.00 0.00 59.36 58.65 1ekj h GLU 268 Cb 0.46 0.02 -0.09 0.00 0.50 0.00 0.00 28.75 29.64 1ekj h GLU 268 CO -0.11 0.76 0.42 -0.07 -1.00 0.00 0.00 179.01 179.01 1ekj h LEU 269 N -0.20 0.53 -0.44 1.33 4.07 -0.90 -0.48 115.31 119.22 1ekj h LEU 269 Ca 0.00 0.08 0.05 0.00 0.08 0.00 0.00 57.88 58.10 1ekj h LEU 269 Cb 0.75 -0.00 -0.05 0.00 1.08 0.00 0.00 40.66 42.44 1ekj h LEU 269 CO 0.04 0.24 0.16 0.00 -1.08 0.00 0.00 178.44 177.80 1ekj h THR 271 N 0.33 1.26 0.13 0.00 2.02 -1.14 0.17 112.91 115.69 1ekj h THR 271 Ca 0.20 -0.93 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1ekj h THR 271 Cb 0.19 0.44 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 1ekj h THR 271 CO -0.20 0.36 -0.06 0.45 0.37 0.00 0.00 175.52 176.44 1ekj h HIS 272 N 1.12 -0.16 -0.69 3.16 -0.00 -0.39 -2.98 115.15 115.21 1ekj h HIS 272 Ca 0.24 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.60 1ekj h HIS 272 Cb 0.32 0.05 -0.03 0.00 -0.00 0.00 0.00 27.41 27.75 1ekj h HIS 272 CO 0.03 0.10 0.38 0.00 -0.00 0.00 0.00 177.93 178.43 1ekj h GLU 274 N 0.96 0.90 0.07 0.00 5.08 -0.61 0.52 114.58 121.51 1ekj h GLU 274 Ca 0.25 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.55 1ekj h GLU 274 Cb 0.02 -0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.06 1ekj h GLU 274 CO -0.04 0.60 -0.03 0.87 -1.00 0.00 0.00 179.01 179.40 1ekj h LYS 275 N 0.93 -0.09 -0.45 2.33 1.57 -1.16 -3.19 116.57 116.50 1ekj h LYS 275 Ca 0.30 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1ekj h LYS 275 Cb 0.04 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1ekj h LYS 275 CO -0.08 0.48 0.28 1.49 -0.57 0.00 0.00 179.45 181.05 1ekj h GLU 276 N -0.86 0.60 -0.71 3.15 4.57 -0.69 -0.93 114.58 119.71 1ekj h GLU 276 Ca -0.01 -0.04 -0.00 0.00 -1.18 0.00 0.00 59.36 58.12 1ekj h GLU 276 Cb 0.61 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 29.04 1ekj h GLU 276 CO 0.02 0.41 0.42 0.00 -1.18 0.00 0.00 179.01 178.68 1ekj h ALA 277 N 1.70 1.41 -0.56 2.92 0.00 -0.05 -0.62 119.26 124.06 1ekj h ALA 277 Ca 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.97 1ekj h ALA 277 Cb -0.04 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.43 1ekj h ALA 277 CO -0.03 0.51 0.29 0.28 0.00 0.00 0.00 179.25 180.29 1ekj h VAL 278 N 0.98 1.20 -0.46 0.00 2.07 -1.16 -2.08 116.25 116.79 1ekj h VAL 278 Ca 0.26 -0.53 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1ekj h VAL 278 Cb -0.03 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.23 1ekj h VAL 278 CO -0.05 0.22 0.22 0.78 0.02 0.00 0.00 177.57 178.76 1ekj h ASN 279 N 0.76 0.61 -0.95 0.57 2.35 -1.03 -0.98 115.58 116.91 1ekj h ASN 279 Ca 0.20 -0.13 0.15 0.00 -0.55 0.00 0.00 56.30 55.96 1ekj h ASN 279 Cb 0.09 -0.16 -0.09 0.00 0.05 0.00 0.00 38.32 38.21 1ekj h ASN 279 CO -0.03 0.57 0.56 0.00 -1.65 0.00 0.00 177.43 176.88 1ekj h ALA 280 N 1.06 1.47 -0.37 -0.83 0.00 -0.87 0.48 119.26 120.20 1ekj h ALA 280 Ca 0.16 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 55.04 1ekj h ALA 280 Cb 0.13 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1ekj h ALA 280 CO -0.02 0.05 -0.13 0.77 0.00 0.00 0.00 179.25 179.92 1ekj h SER 281 N 0.81 0.64 -0.59 0.00 0.02 -0.53 -0.94 113.55 112.95 1ekj h SER 281 Ca 0.50 -0.19 -0.10 0.00 -0.84 0.00 0.00 61.79 61.17 1ekj h SER 281 Cb 0.65 -0.17 -0.02 0.00 0.14 0.00 0.00 62.40 62.99 1ekj h SER 281 CO -0.33 0.80 -0.00 -0.07 -1.14 0.00 0.00 176.83 176.09 1ekj h LEU 282 N 0.59 1.04 -1.29 5.07 3.38 0.21 -1.87 115.31 122.45 1ekj h LEU 282 Ca 0.10 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.72 1ekj h LEU 282 Cb 0.57 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 1ekj h LEU 282 CO 0.04 1.09 -0.19 1.23 0.09 0.00 0.00 178.44 180.69 1ekj h GLY 283 N 0.99 0.27 2.00 0.83 0.00 -0.58 -2.19 103.07 104.39 1ekj h GLY 283 Ca 0.17 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.26 1ekj h GLY 283 CO 0.03 0.17 -0.30 3.43 0.00 0.00 0.00 176.54 179.87 1ekj h ASN 284 N 0.23 0.00 0.18 0.19 2.35 -0.80 -2.70 115.58 115.03 1ekj h ASN 284 Ca 0.04 0.00 -0.06 0.00 -0.55 0.00 0.00 56.30 55.73 1ekj h ASN 284 Cb 0.48 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.84 1ekj h ASN 284 CO 0.03 0.30 -0.24 -0.07 -1.65 0.00 0.00 177.43 175.80 1ekj h LEU 285 N 0.00 0.11 0.00 1.61 3.38 -0.70 -1.88 115.31 117.83 1ekj h LEU 285 Ca -0.00 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ekj h LEU 285 Cb 1.05 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1ekj h LEU 285 CO 0.04 0.35 0.00 0.18 0.09 0.00 0.00 178.44 179.10 1ekj n LEU 286 N -4.21 0.00 -0.10 1.67 4.77 -1.02 -1.51 117.00 116.60 1ekj n LEU 286 Ca -0.02 0.41 0.14 0.00 -0.03 0.00 0.00 56.01 56.51 1ekj n LEU 286 Cb 0.32 -0.41 0.55 0.00 -2.33 0.00 0.00 43.42 41.56 1ekj n LEU 286 CO 0.38 -0.20 0.82 0.35 -1.33 0.00 0.00 177.39 177.41 1ekj n THR 287 N -1.41 0.00 -3.34 -5.08 -2.24 -0.71 -4.72 114.28 96.79 1ekj n THR 287 Ca 0.05 -0.05 -0.42 0.00 -2.27 0.00 0.00 64.05 61.36 1ekj n THR 287 Cb 0.15 -0.07 -0.09 0.00 -2.10 0.00 0.00 70.33 68.22 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 -2.60 3.18 0.23 4.78 1.51 -0.57 -4.59 117.35 119.30 1ekj s TYR 288 Ca 0.25 -0.20 -0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1ekj s TYR 288 Cb 0.20 -2.83 0.41 0.00 -0.11 0.00 0.00 41.96 39.62 1ekj s TYR 288 CO 0.51 -0.60 1.67 -1.35 -1.11 0.00 0.00 175.55 174.67 1ekj h PRO 289 N 8.62 0.20 0.00 -1.71 0.11 -1.86 -0.50 132.00 136.86 1ekj h PRO 289 Ca -0.28 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.81 1ekj h PRO 289 Cb 1.12 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.19 1ekj h PRO 289 CO 0.76 0.13 -0.08 0.27 -0.21 0.00 0.00 178.00 178.88 1ekj h PHE 290 N 0.20 0.00 -0.00 0.65 -5.15 -1.94 0.10 116.94 110.80 1ekj h PHE 290 Ca 0.38 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.13 1ekj h PHE 290 Cb 0.65 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.82 1ekj h PHE 290 CO -0.31 0.08 -0.08 0.28 -2.00 0.00 0.00 178.31 176.28 1ekj h VAL 291 N 0.00 1.58 -1.00 0.88 2.07 -1.39 -2.33 116.25 116.05 1ekj h VAL 291 Ca -0.00 -1.83 0.03 0.00 0.82 0.00 0.00 66.70 65.72 1ekj h VAL 291 Cb 0.26 2.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 1ekj h VAL 291 CO 0.01 0.48 0.66 0.03 0.02 0.00 0.00 177.57 178.78 1ekj h ARG 292 N -0.67 1.27 -0.70 1.57 3.08 -0.78 -1.15 114.38 117.01 1ekj h ARG 292 Ca -0.01 -0.08 -0.02 0.00 0.07 0.00 0.00 59.98 59.94 1ekj h ARG 292 Cb 0.84 -0.29 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 1ekj h ARG 292 CO 0.02 0.84 0.34 1.49 -1.07 0.00 0.00 179.97 181.59 1ekj h GLU 293 N 1.31 0.99 -0.46 0.04 4.81 -0.83 -1.26 114.58 119.18 1ekj h GLU 293 Ca 0.39 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 59.38 1ekj h GLU 293 Cb -0.07 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.11 1ekj h GLU 293 CO -0.11 0.76 -0.14 0.78 -0.73 0.00 0.00 179.01 179.58 1ekj h GLY 294 N 1.05 0.93 1.36 1.92 0.00 -0.76 -1.58 103.07 106.00 1ekj h GLY 294 Ca 0.24 -0.74 -0.14 0.00 0.00 0.00 0.00 47.33 46.69 1ekj h GLY 294 CO -0.03 0.68 -0.40 1.41 0.00 0.00 0.00 176.54 178.20 1ekj h LEU 295 N 0.77 0.74 0.09 3.11 3.38 -0.82 0.67 115.31 123.25 1ekj h LEU 295 Ca 0.12 -0.34 -0.00 0.00 0.09 0.00 0.00 57.88 57.75 1ekj h LEU 295 Cb 0.66 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.20 1ekj h LEU 295 CO 0.05 1.06 -0.04 0.58 0.09 0.00 0.00 178.44 180.17 1ekj h VAL 296 N 0.57 1.03 0.00 1.22 2.07 -1.06 -2.20 116.25 117.89 1ekj h VAL 296 Ca 0.05 -0.43 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1ekj h VAL 296 Cb 0.94 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1ekj h VAL 296 CO 0.09 0.11 0.00 0.59 0.02 0.00 0.00 177.57 178.37 1ekj n ASN 297 N -5.05 0.00 -3.82 0.57 3.02 -0.61 -4.87 115.26 104.49 1ekj n ASN 297 Ca -0.08 -0.98 -0.29 0.00 -0.03 0.00 0.00 54.58 53.20 1ekj n ASN 297 Cb 0.15 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.34 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 -0.83 -5.13 -0.03 3.52 5.02 -0.62 -4.81 118.16 115.27 1ekj n LYS 298 Ca 0.12 0.59 0.06 0.00 -2.02 0.00 0.00 58.31 57.06 1ekj n LYS 298 Cb 0.05 -5.45 0.07 0.00 -0.02 0.00 0.00 35.03 29.68 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 -4.58 0.15 -3.82 -0.18 -2.24 0.13 -4.98 114.28 98.75 1ekj n THR 299 Ca 0.03 -0.57 -0.12 0.00 -2.27 0.00 0.00 64.05 61.12 1ekj n THR 299 Cb 0.53 1.15 -0.12 0.00 -2.10 0.00 0.00 70.33 69.79 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 -1.03 1.35 0.01 3.22 2.96 -0.83 -4.44 118.68 119.92 1ekj s LEU 300 Ca 0.16 0.22 0.03 0.00 -0.22 0.00 0.00 54.13 54.32 1ekj s LEU 300 Cb 0.11 0.66 -0.01 0.00 0.50 0.00 0.00 46.19 47.45 1ekj s LEU 300 CO 0.16 -0.15 -0.09 0.00 -1.32 0.00 0.00 176.35 174.95 1ekj s ALA 301 N -0.31 0.73 -0.11 5.97 0.00 -0.40 -4.21 121.76 123.44 1ekj s ALA 301 Ca -0.04 -0.47 -0.03 0.00 0.00 0.00 0.00 51.96 51.42 1ekj s ALA 301 Cb -0.03 -0.15 -0.03 0.00 0.00 0.00 0.00 23.12 22.91 1ekj s ALA 301 CO 0.01 0.15 0.00 -0.51 0.00 0.00 0.00 175.76 175.41 1ekj s LEU 302 N -0.50 3.54 0.01 0.00 1.02 -1.26 -1.29 118.68 120.20 1ekj s LEU 302 Ca 0.01 0.08 0.01 0.00 0.02 0.00 0.00 54.13 54.25 1ekj s LEU 302 Cb -0.05 -1.83 -0.01 0.00 0.02 0.00 0.00 46.19 44.32 1ekj s LEU 302 CO 0.00 0.31 -0.03 -0.54 0.02 0.00 0.00 176.35 176.11 1ekj s LYS 303 N -0.49 0.26 0.01 1.70 1.02 -0.40 -1.48 119.74 120.35 1ekj s LYS 303 Ca 0.09 -0.37 0.01 0.00 0.02 0.00 0.00 55.97 55.71 1ekj s LYS 303 Cb -0.12 -0.07 -0.04 0.00 -0.52 0.00 0.00 37.83 37.08 1ekj s LYS 303 CO 0.02 0.01 0.05 0.20 -0.92 0.00 0.00 175.35 174.70 1ekj s GLY 304 N -0.80 1.96 0.11 -3.33 0.00 0.13 -1.45 107.32 103.93 1ekj s GLY 304 Ca -0.07 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1ekj s GLY 304 CO -0.00 -0.80 -0.03 -0.32 0.00 0.00 0.00 173.10 171.94 1ekj s GLY 305 N -1.73 0.82 -0.21 0.20 0.00 0.16 -1.04 107.32 105.52 1ekj s GLY 305 Ca 0.22 -1.38 -0.06 0.00 0.00 0.00 0.00 44.72 43.50 1ekj s GLY 305 CO 0.13 -1.43 0.42 -0.47 0.00 0.00 0.00 173.10 171.75 1ekj s TYR 306 N -3.75 -0.83 -0.29 1.90 5.04 -0.56 -1.30 117.35 117.56 1ekj s TYR 306 Ca 0.15 1.42 -0.07 0.00 -2.44 0.00 0.00 57.07 56.13 1ekj s TYR 306 Cb 0.06 0.27 0.01 0.00 0.35 0.00 0.00 41.96 42.65 1ekj s TYR 306 CO -0.03 -0.54 0.08 -0.47 -1.34 0.00 0.00 175.55 173.24 1ekj s TYR 307 N 2.61 3.14 -0.57 4.97 5.04 -0.53 -1.02 117.35 130.99 1ekj s TYR 307 Ca 0.01 -0.96 -0.12 0.00 -2.44 0.00 0.00 57.07 53.57 1ekj s TYR 307 Cb -0.13 -2.25 0.14 0.00 0.35 0.00 0.00 41.96 40.08 1ekj s TYR 307 CO -0.14 -0.57 0.48 0.34 -1.34 0.00 0.00 175.55 174.33 1ekj s ASP 308 N 1.50 6.01 0.00 4.32 -1.08 -0.34 -1.26 116.67 125.82 1ekj s ASP 308 Ca 0.03 -2.10 0.29 0.00 -0.52 0.00 0.00 52.55 50.24 1ekj s ASP 308 Cb -0.17 -2.09 1.51 0.00 -1.46 0.00 0.00 42.92 40.71 1ekj s ASP 308 CO 0.02 -0.69 2.01 2.22 0.52 0.00 0.00 175.17 179.25 1ekj n PHE 309 N 4.71 0.00 -0.04 -5.34 1.16 -1.26 -1.01 117.46 115.68 1ekj n PHE 309 Ca -0.04 0.00 -0.01 0.00 -1.87 0.00 0.00 57.45 55.52 1ekj n PHE 309 Cb 0.41 -0.23 -0.01 0.00 -1.61 0.00 0.00 39.48 38.04 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 0.13 -0.13 1.97 2.07 -1.94 -3.33 116.25 115.02 1ekj h VAL 310 Ca 0.00 -1.08 0.00 0.00 0.82 0.00 0.00 66.70 66.44 1ekj h VAL 310 Cb 0.22 0.24 0.00 0.00 -1.52 0.00 0.00 31.29 30.23 1ekj h VAL 310 CO 0.00 0.04 0.00 0.29 0.02 0.00 0.00 177.57 177.92 1ekj n LYS 311 N -4.78 1.50 -3.61 1.57 4.01 -1.24 -4.95 118.16 110.65 1ekj n LYS 311 Ca -0.01 -0.75 -0.21 0.00 -0.51 0.00 0.00 58.31 56.83 1ekj n LYS 311 Cb 0.04 -1.34 0.05 0.00 -0.51 0.00 0.00 35.03 33.26 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 1.00 -0.43 3.40 0.72 0.00 -0.22 -5.02 105.19 104.65 1ekj n GLY 312 Ca 0.15 0.18 -0.20 0.00 0.00 0.00 0.00 46.02 46.15 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 -4.22 1.94 -0.13 1.61 1.04 -0.18 -5.00 113.70 108.77 1ekj s SER 313 Ca 0.07 -1.44 -0.05 0.00 0.48 0.00 0.00 55.95 55.01 1ekj s SER 313 Cb -0.02 0.14 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1ekj s SER 313 CO 0.80 -0.73 0.27 0.12 0.98 0.00 0.00 173.24 174.68 1ekj s PHE 314 N -3.48 -0.43 -0.12 5.02 5.36 -1.26 -1.20 117.98 121.87 1ekj s PHE 314 Ca 0.35 0.98 -0.03 0.00 -0.96 0.00 0.00 56.93 57.27 1ekj s PHE 314 Cb 0.07 0.01 -0.03 0.00 -0.34 0.00 0.00 43.02 42.73 1ekj s PHE 314 CO 0.15 -0.34 -0.02 -2.00 -1.46 0.00 0.00 175.22 171.55 1ekj s GLU 315 N 2.16 3.35 -0.05 10.12 2.12 -0.18 -4.98 118.70 131.25 1ekj s GLU 315 Ca -0.01 -0.47 0.04 0.00 0.36 0.00 0.00 54.97 54.89 1ekj s GLU 315 Cb -0.12 -2.86 0.00 0.00 0.26 0.00 0.00 34.13 31.41 1ekj s GLU 315 CO -0.09 0.46 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.77 1ekj s LEU 316 N -0.21 1.85 0.10 2.70 2.96 -1.26 -1.50 118.68 123.32 1ekj s LEU 316 Ca 0.05 -0.32 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 1ekj s LEU 316 Cb -0.13 -0.89 -0.04 0.00 0.50 0.00 0.00 46.19 45.64 1ekj s LEU 316 CO 0.02 0.12 0.03 -1.66 -1.32 0.00 0.00 176.35 173.54 1ekj s TRP 317 N 0.19 0.71 0.09 5.38 -2.14 -0.21 -5.01 118.94 117.95 1ekj s TRP 317 Ca -0.06 -1.15 -0.00 0.00 2.66 0.00 0.00 56.10 57.55 1ekj s TRP 317 Cb -0.12 -0.42 -0.04 0.00 -3.10 0.00 0.00 33.47 29.78 1ekj s TRP 317 CO 0.02 -0.47 -0.01 0.20 -2.66 0.00 0.00 176.95 174.03 1ekj s GLY 318 N -2.99 0.74 -0.24 3.67 0.00 -1.26 0.20 107.32 107.44 1ekj s GLY 318 Ca 0.17 -1.35 -0.20 0.00 0.00 0.00 0.00 44.72 43.34 1ekj s GLY 318 CO -0.03 -1.38 0.62 -2.27 0.00 0.00 0.00 173.10 170.04 1ekj s LEU 319 N -3.01 4.08 -0.17 0.66 2.96 -0.55 -4.93 118.68 117.72 1ekj s LEU 319 Ca 0.14 0.72 -0.29 0.00 -0.22 0.00 0.00 54.13 54.48 1ekj s LEU 319 Cb 0.07 -2.85 -0.00 0.00 0.50 0.00 0.00 46.19 43.91 1ekj s LEU 319 CO -0.04 -0.34 1.05 -1.61 -1.32 0.00 0.00 176.35 174.09 1ekj s GLU 320 N 2.34 4.32 -0.09 1.98 0.41 -1.26 -4.66 118.70 121.74 1ekj s GLU 320 Ca 0.26 1.41 -0.03 0.00 -0.41 0.00 0.00 54.97 56.20 1ekj s GLU 320 Cb -0.16 -3.61 0.05 0.00 -1.78 0.00 0.00 34.13 28.63 1ekj s GLU 320 CO 0.09 -0.52 0.16 0.12 -0.49 0.00 0.00 175.26 174.62 1ekj s PHE 321 N 2.76 -0.18 0.00 1.61 5.36 -1.26 -5.13 117.98 121.14 1ekj s PHE 321 Ca 0.47 0.59 0.00 0.00 -0.96 0.00 0.00 56.93 57.03 1ekj s PHE 321 Cb -0.17 -0.27 0.00 0.00 -0.34 0.00 0.00 43.02 42.24 1ekj s PHE 321 CO 0.12 -0.29 0.00 0.41 -1.46 0.00 0.00 175.22 174.00 1ekj n GLY 322 N 5.32 2.53 3.78 13.12 0.00 -1.26 -5.00 105.19 123.69 1ekj n GLY 322 Ca -0.05 -0.90 -0.37 0.00 0.00 0.00 0.00 46.02 44.71 1ekj n GLY 322 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ekj s LEU 323 N 0.00 4.27 0.00 0.99 1.43 -1.26 -5.05 118.68 119.06 1ekj s LEU 323 Ca 0.00 1.98 -0.10 0.00 -1.03 0.00 0.00 54.13 54.99 1ekj s LEU 323 Cb 0.00 -4.05 0.19 0.00 0.03 0.00 0.00 46.19 42.36 1ekj s LEU 323 CO 0.00 -0.28 1.17 -1.54 0.23 0.00 0.00 176.35 175.93 1ekj n SER 324 N 0.33 0.59 -4.74 2.29 3.41 -1.26 -5.04 113.62 109.20 1ekj n SER 324 Ca 0.03 -1.73 -0.33 0.00 -0.26 0.00 0.00 58.87 56.58 1ekj n SER 324 Cb 0.49 -0.85 0.08 0.00 -0.26 0.00 0.00 64.21 63.67 1ekj n SER 324 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1ekj s SER 325 N -5.43 4.52 -0.26 4.04 0.01 -1.26 -4.97 113.70 110.35 1ekj s SER 325 Ca 0.70 2.14 -0.19 0.00 1.31 0.00 0.00 55.95 59.92 1ekj s SER 325 Cb -0.03 -2.57 -0.02 0.00 0.21 0.00 0.00 66.02 63.61 1ekj s SER 325 CO 0.48 -2.03 0.56 -0.89 0.41 0.00 0.00 173.24 171.77 1ekj s THR 326 N -2.26 5.04 -0.39 1.44 2.01 -1.26 -5.03 115.64 115.18 1ekj s THR 326 Ca 0.69 0.97 -0.17 0.00 0.31 0.00 0.00 61.69 63.49 1ekj s THR 326 Cb -0.24 -3.87 0.01 0.00 0.01 0.00 0.00 72.50 68.41 1ekj s THR 326 CO 0.45 0.06 0.45 -0.36 -0.69 0.00 0.00 174.62 174.54 1ekj s PHE 327 N 2.38 3.17 -0.14 4.92 0.40 -1.26 -5.06 117.98 122.39 1ekj s PHE 327 Ca 0.23 -0.17 -0.10 0.00 -0.60 0.00 0.00 56.93 56.29 1ekj s PHE 327 Cb -0.16 -2.89 -0.05 0.00 0.51 0.00 0.00 43.02 40.43 1ekj s PHE 327 CO 0.09 -0.63 0.19 -1.12 0.70 0.00 0.00 175.22 174.45 1ekj s SER 328 N 1.80 6.38 0.00 1.36 0.01 -1.26 -5.31 113.70 116.68 1ekj s SER 328 Ca 0.14 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.85 1ekj s SER 328 Cb -0.16 -2.11 0.00 0.00 0.21 0.00 0.00 66.02 63.95 1ekj s SER 328 CO 0.14 0.27 0.00 1.33 0.41 0.00 0.00 173.24 175.39