#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 0.22 -0.50 -1.46 4.81 -2.05 0.14 114.58 115.74 1ekj h GLU 120 Ca 0.00 -0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1ekj h GLU 120 Cb 0.00 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.29 1ekj h GLU 120 CO 0.00 0.25 0.22 0.00 -0.73 0.00 0.00 179.01 178.75 1ekj h ALA 121 N 0.96 0.63 -0.50 2.92 0.00 -2.05 0.47 119.26 121.69 1ekj h ALA 121 Ca 0.05 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ekj h ALA 121 Cb 0.10 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1ekj h ALA 121 CO -0.01 -0.15 0.26 0.77 0.00 0.00 0.00 179.25 180.13 1ekj h SER 122 N 0.43 0.64 -0.80 0.00 0.02 -1.92 -1.17 113.55 110.75 1ekj h SER 122 Ca 0.23 -0.10 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 1ekj h SER 122 Cb 0.18 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.52 1ekj h SER 122 CO -0.19 0.56 0.51 -0.08 -1.14 0.00 0.00 176.83 176.49 1ekj h GLU 123 N 0.67 1.06 -0.59 3.45 4.57 0.11 0.42 114.58 124.27 1ekj h GLU 123 Ca 0.18 -0.08 -0.00 0.00 -1.18 0.00 0.00 59.36 58.27 1ekj h GLU 123 Cb 0.07 -0.23 -0.03 0.00 -0.16 0.00 0.00 28.75 28.40 1ekj h GLU 123 CO -0.03 0.73 0.35 -0.09 -1.18 0.00 0.00 179.01 178.79 1ekj h ARG 124 N 1.08 0.81 -0.38 1.92 1.12 0.47 0.11 114.38 119.51 1ekj h ARG 124 Ca 0.29 -0.08 -0.09 0.00 -1.11 0.00 0.00 59.98 58.99 1ekj h ARG 124 Cb -0.09 -0.17 -0.02 0.00 -0.01 0.00 0.00 29.97 29.69 1ekj h ARG 124 CO -0.06 0.59 -0.13 0.82 -3.11 0.00 0.00 179.97 178.08 1ekj h ILE 125 N 0.80 1.25 0.38 1.20 2.04 -0.66 -0.43 117.51 122.09 1ekj h ILE 125 Ca 0.21 -1.16 -0.02 0.00 1.00 0.00 0.00 64.86 64.89 1ekj h ILE 125 Cb -0.01 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.18 1ekj h ILE 125 CO -0.04 0.39 -0.18 0.11 0.00 0.00 0.00 178.15 178.43 1ekj h LYS 126 N 0.63 -0.49 -0.25 2.37 6.56 -0.30 -2.18 116.57 122.92 1ekj h LYS 126 Ca 0.11 0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.77 1ekj h LYS 126 Cb 0.59 0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 32.32 1ekj h LYS 126 CO 0.04 -0.21 -0.00 1.15 -2.06 0.00 0.00 179.45 178.37 1ekj h THR 127 N -0.72 0.82 -0.53 -0.16 2.02 -0.74 -1.10 112.91 112.50 1ekj h THR 127 Ca -0.05 -0.03 0.11 0.00 0.77 0.00 0.00 66.41 67.21 1ekj h THR 127 Cb 0.50 0.74 -0.10 0.00 -1.74 0.00 0.00 68.15 67.55 1ekj h THR 127 CO 0.08 0.01 -0.13 1.23 0.37 0.00 0.00 175.52 177.09 1ekj h GLY 128 N 0.07 0.39 1.31 2.16 0.00 -1.04 0.33 103.07 106.29 1ekj h GLY 128 Ca 0.12 0.17 -0.17 0.00 0.00 0.00 0.00 47.33 47.45 1ekj h GLY 128 CO -0.20 -0.20 -0.52 -2.75 0.00 0.00 0.00 176.54 172.88 1ekj h PHE 129 N 0.00 0.91 -0.10 5.60 3.57 -1.13 -2.17 116.94 123.63 1ekj h PHE 129 Ca 0.25 -0.31 -0.00 0.00 3.53 0.00 0.00 57.97 61.44 1ekj h PHE 129 Cb 0.39 -0.18 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1ekj h PHE 129 CO -0.44 1.09 0.06 -0.07 -2.23 0.00 0.00 178.31 176.72 1ekj h LEU 130 N 0.57 0.12 -1.86 0.59 3.38 -0.52 0.28 115.31 117.86 1ekj h LEU 130 Ca 0.02 -0.07 0.06 0.00 0.09 0.00 0.00 57.88 57.98 1ekj h LEU 130 Cb 1.09 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.79 1ekj h LEU 130 CO 0.11 0.16 0.23 -0.74 0.09 0.00 0.00 178.44 178.28 1ekj h HIS 131 N 0.07 0.17 0.00 1.13 2.76 -0.26 0.34 115.15 119.36 1ekj h HIS 131 Ca 0.03 0.00 -0.09 0.00 -2.20 0.00 0.00 60.37 58.12 1ekj h HIS 131 Cb 0.06 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 1ekj h HIS 131 CO -0.05 0.09 -0.55 0.35 -1.30 0.00 0.00 177.93 176.47 1ekj h PHE 132 N 0.17 0.00 0.30 5.26 3.57 -0.69 -3.15 116.94 122.40 1ekj h PHE 132 Ca 0.15 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ekj h PHE 132 Cb 0.37 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.11 1ekj h PHE 132 CO -0.00 0.41 -0.14 -0.22 -2.23 0.00 0.00 178.31 176.12 1ekj h LYS 133 N 0.00 -0.39 0.00 1.11 3.11 0.17 -0.93 116.57 119.64 1ekj h LYS 133 Ca -0.02 0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1ekj h LYS 133 Cb 1.33 0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.65 1ekj h LYS 133 CO 0.05 -0.10 0.00 0.36 -2.81 0.00 0.00 179.45 176.95 1ekj n LYS 134 N -5.15 0.00 -0.11 1.90 2.85 -1.07 0.11 118.16 116.69 1ekj n LYS 134 Ca -0.10 0.00 0.07 0.00 -1.05 0.00 0.00 58.31 57.24 1ekj n LYS 134 Cb 0.25 -0.56 0.14 0.00 -0.65 0.00 0.00 35.03 34.21 1ekj n LYS 134 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 1ekj n GLU 135 N -0.39 -0.02 -0.01 -1.58 -0.58 -1.19 -2.77 120.64 114.10 1ekj n GLU 135 Ca 0.00 0.48 -0.02 0.00 -0.42 0.00 0.00 57.16 57.20 1ekj n GLU 135 Cb 0.00 -0.81 -0.01 0.00 -0.57 0.00 0.00 31.44 30.05 1ekj n GLU 135 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 1ekj n LYS 136 N -4.06 0.05 -0.02 3.49 4.81 -0.96 -4.55 118.16 116.92 1ekj n LYS 136 Ca 0.10 0.02 -0.13 0.00 -0.87 0.00 0.00 58.31 57.43 1ekj n LYS 136 Cb 0.33 -0.58 -0.08 0.00 0.02 0.00 0.00 35.03 34.72 1ekj n LYS 136 CO 0.00 0.00 0.00 -0.92 1.17 0.00 0.00 177.40 177.65 1ekj h TYR 137 N -0.08 0.11 0.00 5.64 3.20 -0.80 -3.21 116.97 121.82 1ekj h TYR 137 Ca -0.05 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.79 1ekj h TYR 137 Cb 1.03 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.27 1ekj h TYR 137 CO -0.01 0.46 0.00 -0.25 -1.64 0.00 0.00 178.16 176.72 1ekj n ASP 138 N -4.83 0.67 -2.06 -2.11 8.00 0.30 -2.94 116.55 113.58 1ekj n ASP 138 Ca -0.07 0.60 -0.18 0.00 0.71 0.00 0.00 54.79 55.85 1ekj n ASP 138 Cb 0.23 -0.77 0.21 0.00 -0.02 0.00 0.00 41.12 40.78 1ekj n ASP 138 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1ekj n LYS 139 N -2.17 2.56 -2.23 -1.24 5.02 -1.12 -4.49 118.16 114.50 1ekj n LYS 139 Ca 0.04 -3.05 -0.03 0.00 -2.02 0.00 0.00 58.31 53.26 1ekj n LYS 139 Cb 0.35 -2.15 0.08 0.00 -0.02 0.00 0.00 35.03 33.29 1ekj n LYS 139 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1ekj n ASN 140 N -0.91 -1.32 -0.21 4.39 2.85 -1.15 -4.96 115.26 113.96 1ekj n ASN 140 Ca 0.53 -2.13 0.30 0.00 -0.11 0.00 0.00 54.58 53.17 1ekj n ASN 140 Cb 1.54 0.58 0.59 0.00 1.24 0.00 0.00 39.78 43.73 1ekj n ASN 140 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1ekj h PRO 141 N 0.73 0.00 -0.12 1.20 0.13 -1.79 0.49 132.00 132.64 1ekj h PRO 141 Ca -0.47 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1ekj h PRO 141 Cb 1.31 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.44 1ekj h PRO 141 CO -0.21 0.00 -0.08 0.00 -0.23 0.00 0.00 178.00 177.48 1ekj h ALA 142 N 0.90 0.18 0.57 -0.56 0.00 -1.93 -2.46 119.26 115.96 1ekj h ALA 142 Ca 0.48 -0.28 -0.03 0.00 0.00 0.00 0.00 54.91 55.08 1ekj h ALA 142 Cb 2.52 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 20.27 1ekj h ALA 142 CO -0.01 -0.01 -0.27 1.25 0.00 0.00 0.00 179.25 180.21 1ekj h LEU 143 N -0.09 -0.65 -1.68 0.00 5.85 -0.43 -3.24 115.31 115.07 1ekj h LEU 143 Ca 0.02 0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.73 1ekj h LEU 143 Cb 0.57 0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.76 1ekj h LEU 143 CO 0.02 -0.38 -0.17 1.88 -0.34 0.00 0.00 178.44 179.45 1ekj h TYR 144 N -0.94 0.00 -0.11 1.25 -1.99 -1.66 -0.97 116.97 112.55 1ekj h TYR 144 Ca -0.08 0.00 0.01 0.00 2.00 0.00 0.00 58.73 60.66 1ekj h TYR 144 Cb 0.59 0.00 -0.01 0.00 2.00 0.00 0.00 36.73 39.31 1ekj h TYR 144 CO 0.05 0.17 0.08 0.78 -0.00 0.00 0.00 178.16 179.24 1ekj h GLY 145 N 0.56 0.11 0.20 3.88 0.00 -1.52 -0.48 103.07 105.83 1ekj h GLY 145 Ca -0.00 -0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.28 1ekj h GLY 145 CO 0.02 0.04 -0.04 0.83 0.00 0.00 0.00 176.54 177.40 1ekj h GLU 146 N 0.11 -0.10 -0.83 4.80 4.39 -1.22 -3.28 114.58 118.45 1ekj h GLU 146 Ca 0.04 0.01 0.21 0.00 0.34 0.00 0.00 59.36 59.96 1ekj h GLU 146 Cb 0.05 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 28.67 1ekj h GLU 146 CO -0.01 0.44 0.57 -0.07 -1.16 0.00 0.00 179.01 178.78 1ekj h LEU 147 N -0.90 0.23 -2.50 1.33 3.38 -1.02 0.82 115.31 116.64 1ekj h LEU 147 Ca -0.01 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.98 1ekj h LEU 147 Cb 0.58 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.31 1ekj h LEU 147 CO 0.02 0.10 -0.02 0.00 0.09 0.00 0.00 178.44 178.62 1ekj h ALA 148 N 1.62 1.27 -0.36 1.53 0.00 -1.16 -2.40 119.26 119.75 1ekj h ALA 148 Ca 0.41 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.24 1ekj h ALA 148 Cb 1.27 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1ekj h ALA 148 CO -0.10 0.03 -0.01 0.87 0.00 0.00 0.00 179.25 180.04 1ekj h LYS 149 N 0.00 0.65 0.00 0.00 1.79 0.58 -3.49 116.57 116.10 1ekj h LYS 149 Ca -0.00 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.26 1ekj h LYS 149 Cb 0.09 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 30.68 1ekj h LYS 149 CO 0.00 0.76 0.00 0.41 -1.08 0.00 0.00 179.45 179.54 1ekj n GLY 150 N -0.33 -1.62 3.11 3.86 0.00 -0.91 -5.16 105.19 104.14 1ekj n GLY 150 Ca -0.01 -1.18 -0.19 0.00 0.00 0.00 0.00 46.02 44.64 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 -1.73 0.83 -0.39 1.61 -2.07 -1.26 -4.58 119.66 112.07 1ekj s GLN 151 Ca 0.00 -0.68 0.10 0.00 -1.82 0.00 0.00 55.36 52.97 1ekj s GLN 151 Cb 0.00 -0.80 0.33 0.00 -1.09 0.00 0.00 33.01 31.45 1ekj s GLN 151 CO 0.00 0.20 0.80 -1.13 -1.32 0.00 0.00 175.29 173.84 1ekj n SER 152 N 2.01 0.03 -4.74 12.60 3.41 -1.26 -4.96 113.62 120.71 1ekj n SER 152 Ca -0.18 -3.14 -0.42 0.00 -0.26 0.00 0.00 58.87 54.87 1ekj n SER 152 Cb 0.55 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.45 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 -1.71 4.31 0.12 4.33 0.04 -1.23 -4.92 135.00 135.95 1ekj s PRO 153 Ca 0.36 2.19 0.27 0.00 0.04 0.00 0.00 61.00 63.85 1ekj s PRO 153 Cb 0.32 -3.16 0.84 0.00 0.04 0.00 0.00 34.50 32.54 1ekj s PRO 153 CO -0.08 -0.38 1.72 -0.35 0.04 0.00 0.00 177.00 177.95 1ekj n PRO 154 N 2.81 0.18 -4.56 0.56 -0.04 -1.18 -4.28 135.00 128.48 1ekj n PRO 154 Ca 0.08 0.12 -0.31 0.00 -0.04 0.00 0.00 63.50 63.35 1ekj n PRO 154 Cb 0.41 -1.68 -0.12 0.00 -0.04 0.00 0.00 33.50 32.07 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 -3.08 2.65 -0.09 0.54 0.40 -1.14 -0.95 117.98 116.31 1ekj s PHE 155 Ca 0.11 -0.20 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 1ekj s PHE 155 Cb 0.15 -1.49 0.01 0.00 0.51 0.00 0.00 43.02 42.20 1ekj s PHE 155 CO 0.61 0.30 -0.17 1.41 0.70 0.00 0.00 175.22 178.06 1ekj s MET 156 N -1.52 2.32 -0.06 0.44 -2.45 0.30 -0.73 119.30 117.61 1ekj s MET 156 Ca 0.16 -0.62 0.03 0.00 -1.25 0.00 0.00 55.69 54.01 1ekj s MET 156 Cb -0.11 -1.87 0.01 0.00 1.25 0.00 0.00 34.83 34.11 1ekj s MET 156 CO 0.07 0.04 -0.13 0.08 1.05 0.00 0.00 175.02 176.13 1ekj s VAL 157 N 0.67 1.16 -0.17 10.11 1.01 0.28 -0.61 120.40 132.86 1ekj s VAL 157 Ca -0.13 -0.52 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 1ekj s VAL 157 Cb -0.16 -1.04 -0.03 0.00 0.00 0.00 0.00 36.38 35.14 1ekj s VAL 157 CO 0.03 0.36 -0.00 -0.36 0.00 0.00 0.00 175.10 175.13 1ekj s PHE 158 N 0.46 3.09 0.06 5.22 0.40 -0.35 -0.42 117.98 126.44 1ekj s PHE 158 Ca -0.11 -0.21 -0.04 0.00 -0.60 0.00 0.00 56.93 55.97 1ekj s PHE 158 Cb -0.14 -2.01 -0.02 0.00 0.51 0.00 0.00 43.02 41.36 1ekj s PHE 158 CO 0.03 -0.00 0.07 0.00 0.70 0.00 0.00 175.22 176.02 1ekj s ALA 159 N 0.45 0.15 0.55 5.36 0.00 -0.68 -0.59 121.76 127.01 1ekj s ALA 159 Ca -0.01 -0.90 -0.19 0.00 0.00 0.00 0.00 51.96 50.86 1ekj s ALA 159 Cb -0.14 0.35 -0.05 0.00 0.00 0.00 0.00 23.12 23.28 1ekj s ALA 159 CO 0.02 -0.42 1.12 0.00 0.00 0.00 0.00 175.76 176.48 1ekj n SER 161 N -1.42 0.50 -4.63 0.00 7.64 -0.69 -4.69 113.62 110.34 1ekj n SER 161 Ca 0.11 0.64 -0.61 0.00 1.01 0.00 0.00 58.87 60.02 1ekj n SER 161 Cb 0.51 -0.74 -0.08 0.00 -1.01 0.00 0.00 64.21 62.89 1ekj n SER 161 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1ekj n ASP 162 N -2.07 0.99 0.05 6.43 -0.08 -1.26 -4.79 116.55 115.82 1ekj n ASP 162 Ca 0.02 1.15 0.04 0.00 -1.51 0.00 0.00 54.79 54.49 1ekj n ASP 162 Cb 0.18 -0.98 0.20 0.00 2.34 0.00 0.00 41.12 42.86 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 3.05 0.19 -0.72 1.67 3.41 -1.26 -1.84 113.62 118.11 1ekj n SER 163 Ca 0.24 0.59 0.13 0.00 -0.26 0.00 0.00 58.87 59.57 1ekj n SER 163 Cb 0.06 -0.61 0.26 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 -1.75 1.94 -0.45 4.33 1.74 -1.26 -4.48 116.66 116.73 1ekj n ARG 164 Ca -0.00 -1.45 0.07 0.00 -0.77 0.00 0.00 57.85 55.70 1ekj n ARG 164 Cb 0.01 -1.47 0.15 0.00 -1.02 0.00 0.00 32.46 30.13 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 0.74 1.70 -1.47 1.55 0.24 -0.77 -5.01 118.33 115.31 1ekj n VAL 165 Ca 0.15 -2.37 -0.61 0.00 -2.04 0.00 0.00 64.34 59.47 1ekj n VAL 165 Cb 0.49 -0.07 -0.10 0.00 -1.47 0.00 0.00 33.84 32.69 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 7.90 0.79 0.04 0.00 0.13 -1.96 -1.09 132.00 137.82 1ekj h PRO 167 Ca -0.26 -0.05 0.01 0.00 -0.87 0.00 0.00 66.00 64.84 1ekj h PRO 167 Cb 1.38 -0.18 -0.04 0.00 0.13 0.00 0.00 31.00 32.30 1ekj h PRO 167 CO 1.04 0.52 -0.43 0.77 -0.23 0.00 0.00 178.00 179.67 1ekj h SER 168 N 0.81 -1.30 -0.11 1.44 0.02 -1.86 0.37 113.55 112.92 1ekj h SER 168 Ca 0.42 0.14 0.04 0.00 -0.84 0.00 0.00 61.79 61.55 1ekj h SER 168 Cb 0.41 0.49 -0.04 0.00 0.14 0.00 0.00 62.40 63.40 1ekj h SER 168 CO -0.26 -0.43 -0.16 0.45 -1.14 0.00 0.00 176.83 175.29 1ekj h HIS 169 N -0.57 -0.41 -0.32 3.45 3.86 -1.78 2.73 115.15 122.11 1ekj h HIS 169 Ca 0.00 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.20 1ekj h HIS 169 Cb 0.59 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.24 1ekj h HIS 169 CO -0.46 -0.23 0.05 0.28 0.86 0.00 0.00 177.93 178.43 1ekj h VAL 170 N -0.21 1.17 -0.21 2.45 2.07 -0.89 -2.62 116.25 118.01 1ekj h VAL 170 Ca 0.09 -0.62 0.00 0.00 0.82 0.00 0.00 66.70 66.99 1ekj h VAL 170 Cb 0.33 0.87 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1ekj h VAL 170 CO -0.23 0.22 0.00 0.18 0.02 0.00 0.00 177.57 177.76 1ekj n LEU 171 N -4.33 2.47 -3.76 2.57 4.77 0.13 -4.99 117.00 113.85 1ekj n LEU 171 Ca 0.02 -1.72 -0.25 0.00 -0.03 0.00 0.00 56.01 54.02 1ekj n LEU 171 Cb 0.20 -0.13 0.04 0.00 -2.33 0.00 0.00 43.42 41.19 1ekj n LEU 171 CO 0.38 0.59 0.05 -0.67 -1.33 0.00 0.00 177.39 176.41 1ekj n ASP 172 N 0.37 -3.34 -4.64 -1.43 2.03 0.89 -4.92 116.55 105.51 1ekj n ASP 172 Ca 0.08 -0.76 -0.43 0.00 0.52 0.00 0.00 54.79 54.20 1ekj n ASP 172 Cb 0.35 -4.16 -0.02 0.00 -0.72 0.00 0.00 41.12 36.57 1ekj n ASP 172 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1ekj s PHE 173 N -3.46 3.13 0.62 -0.67 2.99 0.45 -4.98 117.98 116.06 1ekj s PHE 173 Ca 0.35 1.22 -0.10 0.00 0.00 0.00 0.00 56.93 58.40 1ekj s PHE 173 Cb -0.17 -3.60 -0.02 0.00 0.00 0.00 0.00 43.02 39.23 1ekj s PHE 173 CO 0.81 -0.86 0.99 -0.65 -0.00 0.00 0.00 175.22 175.51 1ekj s GLN 174 N 3.58 3.32 0.45 0.44 -1.52 -1.26 -4.73 119.66 119.94 1ekj s GLN 174 Ca 0.47 0.50 -0.25 0.00 -1.95 0.00 0.00 55.36 54.13 1ekj s GLN 174 Cb -0.14 -2.14 -0.09 0.00 -0.22 0.00 0.00 33.01 30.43 1ekj s GLN 174 CO 0.14 -0.65 1.28 -0.35 -0.25 0.00 0.00 175.29 175.47 1ekj n PRO 175 N -2.72 1.90 -0.56 2.91 -0.04 -1.26 -1.80 135.00 133.43 1ekj n PRO 175 Ca 0.05 0.68 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 1ekj n PRO 175 Cb 0.55 -2.42 0.00 0.00 -0.04 0.00 0.00 33.50 31.59 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 0.80 1.22 0.14 0.55 0.00 -1.26 -4.92 105.19 101.71 1ekj n GLY 176 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.88 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 0.74 -4.17 1.61 1.02 -0.75 -3.51 120.64 113.59 1ekj n GLU 177 Ca 0.00 0.25 -0.24 0.00 -0.02 0.00 0.00 57.16 57.15 1ekj n GLU 177 Cb 0.00 -1.69 -0.17 0.00 -0.02 0.00 0.00 31.44 29.57 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 -2.55 1.07 -0.17 0.62 0.00 -1.26 -2.88 121.76 116.59 1ekj s ALA 178 Ca -0.23 -0.33 -0.23 0.00 0.00 0.00 0.00 51.96 51.16 1ekj s ALA 178 Cb 0.07 -0.66 -0.02 0.00 0.00 0.00 0.00 23.12 22.51 1ekj s ALA 178 CO 0.75 -0.15 0.73 0.12 0.00 0.00 0.00 175.76 177.21 1ekj s PHE 179 N 1.21 3.42 -0.01 0.00 5.36 0.09 -4.94 117.98 123.12 1ekj s PHE 179 Ca -0.05 1.12 0.07 0.00 -0.96 0.00 0.00 56.93 57.11 1ekj s PHE 179 Cb -0.14 -2.90 -0.02 0.00 -0.34 0.00 0.00 43.02 39.62 1ekj s PHE 179 CO -0.02 -0.17 -0.23 0.08 -1.46 0.00 0.00 175.22 173.43 1ekj s VAL 180 N 1.85 2.35 -0.10 3.12 1.01 -1.26 -0.56 120.40 126.81 1ekj s VAL 180 Ca 0.34 -1.10 0.03 0.00 0.00 0.00 0.00 61.98 61.25 1ekj s VAL 180 Cb -0.16 -1.87 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1ekj s VAL 180 CO 0.12 0.52 -0.19 -0.69 0.00 0.00 0.00 175.10 174.86 1ekj s VAL 181 N -0.71 1.72 -0.06 2.92 1.01 0.44 -4.97 120.40 120.75 1ekj s VAL 181 Ca 0.11 -0.79 0.04 0.00 0.00 0.00 0.00 61.98 61.33 1ekj s VAL 181 Cb -0.10 -1.52 0.00 0.00 0.00 0.00 0.00 36.38 34.76 1ekj s VAL 181 CO 0.01 0.48 -0.17 -0.13 0.00 0.00 0.00 175.10 175.29 1ekj s ARG 182 N 0.70 1.98 0.33 2.72 0.52 -1.26 -1.68 118.95 122.26 1ekj s ARG 182 Ca -0.12 -0.60 -0.10 0.00 -0.52 0.00 0.00 55.73 54.39 1ekj s ARG 182 Cb -0.16 -1.64 0.02 0.00 0.52 0.00 0.00 34.95 33.68 1ekj s ARG 182 CO 0.03 0.17 0.59 0.54 0.02 0.00 0.00 175.30 176.65 1ekj s ASN 183 N 0.27 0.34 0.01 0.23 2.20 -1.08 -4.75 114.94 112.16 1ekj s ASN 183 Ca -0.10 -1.21 -0.30 0.00 -0.94 0.00 0.00 52.86 50.32 1ekj s ASN 183 Cb -0.14 0.71 -0.07 0.00 -2.00 0.00 0.00 41.25 39.75 1ekj s ASN 183 CO 0.04 -1.39 1.81 -0.69 -2.94 0.00 0.00 177.10 173.92 1ekj s VAL 184 N -3.08 3.24 -1.54 3.54 1.01 -1.26 -1.70 120.40 120.61 1ekj s VAL 184 Ca 0.23 0.34 0.00 0.00 0.00 0.00 0.00 61.98 62.55 1ekj s VAL 184 Cb -0.02 -3.22 0.00 0.00 0.00 0.00 0.00 36.38 33.13 1ekj s VAL 184 CO 0.14 -0.03 0.00 0.00 0.00 0.00 0.00 175.10 175.22 1ekj n ALA 185 N 7.15 -0.28 -4.20 5.51 0.00 -1.26 -3.81 120.51 123.61 1ekj n ALA 185 Ca 0.18 0.22 -0.34 0.00 0.00 0.00 0.00 53.44 53.50 1ekj n ALA 185 Cb 0.42 -1.66 -0.03 0.00 0.00 0.00 0.00 19.45 18.17 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 -0.56 -2.29 -4.85 0.00 0.23 -1.04 -4.87 115.26 101.88 1ekj n ASN 186 Ca -0.16 -1.05 -0.35 0.00 -0.53 0.00 0.00 54.58 52.50 1ekj n ASN 186 Cb 0.53 -2.65 -0.06 0.00 -2.08 0.00 0.00 39.78 35.52 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 -7.22 4.31 -0.30 -4.53 1.43 -1.25 -4.81 118.68 106.31 1ekj s LEU 187 Ca 0.55 1.03 0.03 0.00 -1.03 0.00 0.00 54.13 54.70 1ekj s LEU 187 Cb -0.30 -3.32 0.08 0.00 0.03 0.00 0.00 46.19 42.68 1ekj s LEU 187 CO 0.93 0.08 -0.02 -0.69 0.23 0.00 0.00 176.35 176.88 1ekj s VAL 188 N -1.52 2.36 0.82 -1.59 1.01 -1.26 -4.97 120.40 115.25 1ekj s VAL 188 Ca 0.39 -1.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.36 1ekj s VAL 188 Cb -0.14 -2.53 0.09 0.00 0.00 0.00 0.00 36.38 33.79 1ekj s VAL 188 CO 0.19 -0.28 1.09 -2.16 0.00 0.00 0.00 175.10 173.94 1ekj s PRO 189 N 1.05 1.85 0.73 2.72 0.04 -1.26 -4.66 135.00 135.46 1ekj s PRO 189 Ca -0.00 0.86 -0.11 0.00 0.04 0.00 0.00 61.00 61.78 1ekj s PRO 189 Cb -0.20 -1.87 0.03 0.00 0.04 0.00 0.00 34.50 32.49 1ekj s PRO 189 CO -0.06 -1.84 1.07 -1.25 0.04 0.00 0.00 177.00 174.96 1ekj s PRO 190 N -5.00 2.69 -0.26 0.56 0.04 -1.26 -4.75 135.00 127.02 1ekj s PRO 190 Ca 0.62 0.82 -0.39 0.00 0.04 0.00 0.00 61.00 62.08 1ekj s PRO 190 Cb -0.16 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.25 1ekj s PRO 190 CO 0.56 -1.24 1.76 0.98 0.04 0.00 0.00 177.00 179.10 1ekj n TYR 191 N -3.20 2.09 -3.15 0.56 9.36 -1.26 -4.86 117.16 116.69 1ekj n TYR 191 Ca 0.07 0.47 0.04 0.00 3.32 0.00 0.00 57.90 61.80 1ekj n TYR 191 Cb 0.55 -2.49 -0.01 0.00 -0.63 0.00 0.00 39.34 36.76 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 3.62 -1.18 0.43 2.98 -1.08 -1.26 -5.03 116.67 115.14 1ekj s ASP 192 Ca 0.98 0.59 0.23 0.00 -0.52 0.00 0.00 52.55 53.82 1ekj s ASP 192 Cb -1.02 1.93 0.88 0.00 -1.46 0.00 0.00 42.92 43.25 1ekj s ASP 192 CO 0.64 -0.22 1.81 1.56 0.52 0.00 0.00 175.17 179.48 1ekj h GLN 193 N 7.96 0.00 0.00 4.34 4.20 -1.92 0.54 115.11 130.24 1ekj h GLN 193 Ca -0.16 0.00 -0.22 0.00 0.06 0.00 0.00 58.65 58.33 1ekj h GLN 193 Cb 1.17 0.00 -0.04 0.00 0.30 0.00 0.00 27.48 28.91 1ekj h GLN 193 CO 0.15 0.25 -1.77 0.00 -0.67 0.00 0.00 178.83 176.79 1ekj n ALA 194 N -2.24 1.85 -0.08 3.87 0.00 -1.26 -4.26 120.51 118.40 1ekj n ALA 194 Ca 0.00 -0.77 -0.09 0.00 0.00 0.00 0.00 53.44 52.58 1ekj n ALA 194 Cb 0.44 -0.73 -0.11 0.00 0.00 0.00 0.00 19.45 19.06 1ekj n ALA 194 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1ekj n LYS 195 N -2.81 1.30 -2.46 0.00 5.02 -1.19 -4.78 118.16 113.23 1ekj n LYS 195 Ca -0.16 0.03 -0.19 0.00 -2.02 0.00 0.00 58.31 55.97 1ekj n LYS 195 Cb 0.92 -1.37 0.02 0.00 -0.02 0.00 0.00 35.03 34.58 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 -2.68 2.49 0.11 2.13 0.53 0.18 -4.87 117.16 115.04 1ekj n TYR 196 Ca -0.26 -2.73 0.02 0.00 -1.02 0.00 0.00 57.90 53.91 1ekj n TYR 196 Cb 0.93 -0.22 0.39 0.00 -1.03 0.00 0.00 39.34 39.41 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 2.59 1.51 0.00 -0.72 0.00 -1.73 -2.14 119.26 118.77 1ekj h ALA 197 Ca 0.17 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1ekj h ALA 197 Cb 1.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1ekj h ALA 197 CO 0.67 0.35 -0.00 0.78 0.00 0.00 0.00 179.25 181.05 1ekj h GLY 198 N 0.73 -0.00 1.03 0.00 0.00 -1.92 0.50 103.07 103.41 1ekj h GLY 198 Ca 0.05 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 47.31 1ekj h GLY 198 CO 0.02 -0.00 0.07 -0.84 0.00 0.00 0.00 176.54 175.79 1ekj h THR 199 N -0.05 1.26 -0.49 4.70 2.02 -1.95 -2.82 112.91 115.58 1ekj h THR 199 Ca -0.00 -1.01 -0.02 0.00 0.77 0.00 0.00 66.41 66.14 1ekj h THR 199 Cb 0.05 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 1ekj h THR 199 CO 0.00 0.37 0.22 1.23 0.37 0.00 0.00 175.52 177.71 1ekj h GLY 200 N 0.86 0.77 1.01 2.16 0.00 -1.17 -2.06 103.07 104.64 1ekj h GLY 200 Ca 0.17 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1ekj h GLY 200 CO 0.01 0.38 0.46 0.00 0.00 0.00 0.00 176.54 177.39 1ekj h ALA 201 N 1.06 0.92 -0.53 3.60 0.00 -0.91 0.40 119.26 123.81 1ekj h ALA 201 Ca 0.17 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1ekj h ALA 201 Cb 0.16 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1ekj h ALA 201 CO -0.02 0.37 0.27 0.00 0.00 0.00 0.00 179.25 179.87 1ekj h ALA 202 N 1.25 0.68 -0.24 0.00 0.00 -1.23 -0.36 119.26 119.35 1ekj h ALA 202 Ca 0.26 -0.11 -0.15 0.00 0.00 0.00 0.00 54.91 54.92 1ekj h ALA 202 Cb -0.08 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.50 1ekj h ALA 202 CO -0.05 0.22 -0.43 0.82 0.00 0.00 0.00 179.25 179.80 1ekj h ILE 203 N 0.70 1.30 -0.55 0.00 2.04 -1.14 -2.02 117.51 117.85 1ekj h ILE 203 Ca 0.18 -1.64 0.01 0.00 1.00 0.00 0.00 64.86 64.41 1ekj h ILE 203 Cb 0.08 1.74 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 1ekj h ILE 203 CO -0.03 0.52 0.36 -0.08 0.00 0.00 0.00 178.15 178.92 1ekj h GLU 204 N 0.45 0.71 0.18 2.37 4.81 -0.85 0.79 114.58 123.04 1ekj h GLU 204 Ca 0.01 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1ekj h GLU 204 Cb 1.03 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 30.26 1ekj h GLU 204 CO 0.10 0.47 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.84 1ekj h TYR 205 N 0.73 -0.22 -0.86 0.92 3.20 -0.99 -0.67 116.97 119.08 1ekj h TYR 205 Ca 0.21 -0.01 -0.03 0.00 3.14 0.00 0.00 58.73 62.04 1ekj h TYR 205 Cb -0.07 0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.24 1ekj h TYR 205 CO -0.04 -0.02 0.43 0.00 -1.64 0.00 0.00 178.16 176.89 1ekj h ALA 206 N 0.40 1.11 0.03 1.82 0.00 -1.17 0.31 119.26 121.77 1ekj h ALA 206 Ca -0.02 -0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 1ekj h ALA 206 Cb 0.30 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1ekj h ALA 206 CO 0.04 0.66 -0.27 0.28 0.00 0.00 0.00 179.25 179.96 1ekj h VAL 207 N 1.22 1.68 0.00 0.00 2.07 -0.84 0.96 116.25 121.34 1ekj h VAL 207 Ca 0.30 -2.38 -0.21 0.00 0.82 0.00 0.00 66.70 65.23 1ekj h VAL 207 Cb 0.10 3.28 -0.04 0.00 -1.52 0.00 0.00 31.29 33.12 1ekj h VAL 207 CO -0.04 0.62 -1.46 -0.07 0.02 0.00 0.00 177.57 176.64 1ekj h LEU 208 N -0.85 0.00 0.00 2.57 3.38 -1.17 -3.17 115.31 116.08 1ekj h LEU 208 Ca -0.06 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.69 1ekj h LEU 208 Cb 1.17 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 1ekj h LEU 208 CO 0.02 0.72 -1.72 1.41 0.09 0.00 0.00 178.44 178.96 1ekj n HIS 209 N -2.96 0.02 0.74 1.13 8.25 0.91 -4.52 115.22 118.79 1ekj n HIS 209 Ca -0.11 0.01 0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1ekj n HIS 209 Cb 0.91 -0.74 0.48 0.00 1.12 0.00 0.00 29.99 31.75 1ekj n HIS 209 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1ekj n LEU 210 N -4.36 0.51 -3.76 2.41 4.77 -0.12 -4.95 117.00 111.50 1ekj n LEU 210 Ca -0.33 0.55 -0.23 0.00 -0.03 0.00 0.00 56.01 55.97 1ekj n LEU 210 Cb 0.69 -0.40 0.03 0.00 -2.33 0.00 0.00 43.42 41.41 1ekj n LEU 210 CO 0.13 -0.14 -0.04 0.29 -1.33 0.00 0.00 177.39 176.29 1ekj n LYS 211 N -1.98 -4.95 -1.39 3.23 4.76 -0.67 -4.72 118.16 112.45 1ekj n LYS 211 Ca 0.06 0.60 -0.34 0.00 -2.87 0.00 0.00 58.31 55.76 1ekj n LYS 211 Cb 0.38 -5.20 0.10 0.00 -1.84 0.00 0.00 35.03 28.47 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 -3.62 2.37 -0.81 -0.18 -7.23 0.25 -4.94 120.40 106.25 1ekj s VAL 212 Ca 0.14 0.18 0.21 0.00 -1.81 0.00 0.00 61.98 60.69 1ekj s VAL 212 Cb -0.07 -2.70 -0.25 0.00 0.56 0.00 0.00 36.38 33.93 1ekj s VAL 212 CO 0.82 -0.11 0.83 -1.20 -0.31 0.00 0.00 175.10 175.13 1ekj n SER 213 N -2.85 0.79 -3.80 4.85 7.64 -0.13 -4.79 113.62 115.35 1ekj n SER 213 Ca 0.13 -0.78 -0.13 0.00 1.01 0.00 0.00 58.87 59.10 1ekj n SER 213 Cb 0.51 1.18 -0.12 0.00 -1.01 0.00 0.00 64.21 64.77 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 -3.31 -0.23 -0.17 6.43 0.01 -0.33 -0.91 114.94 116.43 1ekj s ASN 214 Ca 0.05 0.44 0.01 0.00 -0.71 0.00 0.00 52.86 52.64 1ekj s ASN 214 Cb 0.16 0.46 0.01 0.00 0.41 0.00 0.00 41.25 42.28 1ekj s ASN 214 CO 0.87 -0.09 -0.18 -0.63 -1.51 0.00 0.00 177.10 175.56 1ekj s ILE 215 N 0.05 2.29 -0.18 0.60 1.01 0.01 -0.54 121.20 124.45 1ekj s ILE 215 Ca -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1ekj s ILE 215 Cb -0.02 -1.96 0.01 0.00 0.01 0.00 0.00 42.46 40.50 1ekj s ILE 215 CO 0.00 0.53 -0.17 -0.69 0.00 0.00 0.00 174.94 174.62 1ekj s VAL 216 N 1.10 2.40 -0.26 2.92 1.01 0.22 -1.09 120.40 126.69 1ekj s VAL 216 Ca 0.00 -0.83 -0.11 0.00 0.00 0.00 0.00 61.98 61.04 1ekj s VAL 216 Cb -0.14 -2.02 -0.05 0.00 0.00 0.00 0.00 36.38 34.17 1ekj s VAL 216 CO -0.07 0.52 0.17 -0.69 0.00 0.00 0.00 175.10 175.03 1ekj s VAL 217 N 1.20 5.28 -0.22 2.92 1.01 -0.00 -1.22 120.40 129.37 1ekj s VAL 217 Ca 0.02 0.16 -0.01 0.00 0.00 0.00 0.00 61.98 62.15 1ekj s VAL 217 Cb -0.14 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.77 1ekj s VAL 217 CO -0.08 0.29 -0.11 -0.63 0.00 0.00 0.00 175.10 174.57 1ekj s ILE 218 N 1.51 2.62 0.57 2.22 1.01 0.25 -1.08 121.20 128.30 1ekj s ILE 218 Ca 0.07 -0.96 0.06 0.00 0.00 0.00 0.00 60.65 59.82 1ekj s ILE 218 Cb -0.15 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.13 1ekj s ILE 218 CO 0.09 0.33 0.78 -0.83 0.00 0.00 0.00 174.94 175.31 1ekj s GLY 219 N 1.32 1.80 0.26 6.18 0.00 -0.68 -4.10 107.32 112.10 1ekj s GLY 219 Ca 0.02 -1.81 -0.15 0.00 0.00 0.00 0.00 44.72 42.78 1ekj s GLY 219 CO -0.07 -1.42 0.54 -2.38 0.00 0.00 0.00 173.10 169.77 1ekj s HIS 220 N -2.71 0.23 0.43 1.90 -3.43 -1.26 -1.52 115.29 108.93 1ekj s HIS 220 Ca 0.60 -0.62 -0.24 0.00 -0.80 0.00 0.00 55.06 54.01 1ekj s HIS 220 Cb -0.07 0.32 -0.08 0.00 -1.43 0.00 0.00 32.58 31.32 1ekj s HIS 220 CO 0.39 -1.06 1.13 -1.54 -2.00 0.00 0.00 174.74 171.66 1ekj s SER 221 N -3.00 6.41 -1.40 7.38 1.04 -0.63 -3.76 113.70 119.74 1ekj s SER 221 Ca 0.20 2.24 -0.09 0.00 0.48 0.00 0.00 55.95 58.77 1ekj s SER 221 Cb -0.02 -2.60 0.04 0.00 0.10 0.00 0.00 66.02 63.54 1ekj s SER 221 CO 0.09 -0.75 1.05 0.00 0.98 0.00 0.00 173.24 174.61 1ekj n ALA 222 N -0.25 -1.44 -2.57 5.32 0.00 -1.26 -4.81 120.51 115.49 1ekj n ALA 222 Ca 0.06 0.23 -0.43 0.00 0.00 0.00 0.00 53.44 53.30 1ekj n ALA 222 Cb 0.48 -4.50 -0.02 0.00 0.00 0.00 0.00 19.45 15.41 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 10.00 0.00 0.93 0.00 0.00 -1.95 -0.56 103.07 111.50 1ekj h GLY 224 Ca -0.22 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.03 1ekj h GLY 224 CO 1.01 0.00 -0.08 -1.33 0.00 0.00 0.00 176.54 176.14 1ekj h GLY 225 N 0.59 0.72 1.28 4.60 0.00 -1.95 -1.01 103.07 107.31 1ekj h GLY 225 Ca -0.00 -0.60 -0.12 0.00 0.00 0.00 0.00 47.33 46.61 1ekj h GLY 225 CO 0.03 0.54 -0.23 -2.22 0.00 0.00 0.00 176.54 174.66 1ekj h ILE 226 N 0.46 1.27 -0.57 2.60 1.08 -1.83 -0.07 117.51 120.44 1ekj h ILE 226 Ca 0.09 -1.36 0.00 0.00 -0.39 0.00 0.00 64.86 63.20 1ekj h ILE 226 Cb 0.58 1.21 -0.03 0.00 -3.07 0.00 0.00 36.82 35.51 1ekj h ILE 226 CO 0.03 0.46 0.36 0.50 -0.69 0.00 0.00 178.15 178.81 1ekj h LYS 227 N 0.71 0.76 -0.37 2.37 3.64 -0.97 -0.96 116.57 121.75 1ekj h LYS 227 Ca 0.09 -0.06 -0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ekj h LYS 227 Cb 0.76 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 32.40 1ekj h LYS 227 CO 0.06 0.53 0.21 0.78 -2.27 0.00 0.00 179.45 178.77 1ekj h GLY 228 N 0.77 0.55 0.20 5.01 0.00 -0.87 -1.22 103.07 107.52 1ekj h GLY 228 Ca 0.21 -0.24 0.13 0.00 0.00 0.00 0.00 47.33 47.42 1ekj h GLY 228 CO -0.04 0.23 0.25 -2.00 0.00 0.00 0.00 176.54 174.97 1ekj h LEU 229 N 0.48 0.20 -0.84 3.11 5.85 -0.39 0.50 115.31 124.22 1ekj h LEU 229 Ca 0.13 0.10 -0.09 0.00 0.84 0.00 0.00 57.88 58.86 1ekj h LEU 229 Cb 0.03 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.15 1ekj h LEU 229 CO -0.02 0.09 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.66 1ekj h LEU 230 N 0.40 0.00 0.12 2.25 3.38 -0.80 -3.34 115.31 117.32 1ekj h LEU 230 Ca 0.37 0.00 -0.24 0.00 0.09 0.00 0.00 57.88 58.10 1ekj h LEU 230 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 1ekj h LEU 230 CO -0.38 0.44 -1.18 0.28 0.09 0.00 0.00 178.44 177.68 1ekj h SER 231 N 0.00 0.39 -3.94 -0.43 0.02 -0.46 -3.46 113.55 105.67 1ekj h SER 231 Ca -0.00 -0.88 -0.54 0.00 -0.84 0.00 0.00 61.79 59.53 1ekj h SER 231 Cb 0.98 -0.13 0.10 0.00 0.14 0.00 0.00 62.40 63.49 1ekj h SER 231 CO 0.06 1.53 0.74 -0.36 -1.14 0.00 0.00 176.83 177.66 1ekj s PHE 232 N -2.45 2.63 0.19 3.45 2.99 0.09 -4.93 117.98 119.95 1ekj s PHE 232 Ca -0.18 1.22 0.02 0.00 0.00 0.00 0.00 56.93 57.99 1ekj s PHE 232 Cb 0.03 -3.95 0.09 0.00 0.00 0.00 0.00 43.02 39.19 1ekj s PHE 232 CO 0.78 -2.81 1.45 -1.00 -0.00 0.00 0.00 175.22 173.64 1ekj h PRO 233 N 2.93 0.27 -6.22 0.24 0.13 -1.89 -3.48 132.00 123.99 1ekj h PRO 233 Ca -0.51 -0.24 -0.44 0.00 -0.87 0.00 0.00 66.00 63.95 1ekj h PRO 233 Cb 1.24 0.05 0.04 0.00 0.13 0.00 0.00 31.00 32.46 1ekj h PRO 233 CO 0.64 0.90 -0.88 1.19 -0.23 0.00 0.00 178.00 179.62 1ekj n PHE 234 N -3.78 -1.85 -1.42 1.56 3.01 -1.26 -4.92 117.46 108.79 1ekj n PHE 234 Ca -0.03 0.72 0.07 0.00 1.01 0.00 0.00 57.45 59.22 1ekj n PHE 234 Cb 0.72 -3.96 0.18 0.00 -0.01 0.00 0.00 39.48 36.41 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 -2.95 1.92 0.00 4.37 5.75 -1.26 -4.94 116.55 119.43 1ekj n ASP 235 Ca -0.25 -3.56 0.00 0.00 -0.01 0.00 0.00 54.79 50.98 1ekj n ASP 235 Cb 0.66 -0.49 0.00 0.00 -1.03 0.00 0.00 41.12 40.26 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 -1.20 2.17 3.63 6.12 0.00 -1.26 -5.06 105.19 109.60 1ekj n GLY 236 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.62 4.15 -0.07 2.61 -4.23 -1.26 -5.11 115.64 109.12 1ekj s THR 237 Ca 0.00 -0.30 0.03 0.00 -1.18 0.00 0.00 61.69 60.24 1ekj s THR 237 Cb 0.00 -2.75 0.01 0.00 1.34 0.00 0.00 72.50 71.09 1ekj s THR 237 CO 0.00 0.58 -0.16 -0.31 -0.54 0.00 0.00 174.62 174.19 1ekj s TYR 238 N -0.60 1.74 -0.71 3.99 1.51 -1.26 -4.58 117.35 117.44 1ekj s TYR 238 Ca 0.10 -0.63 0.14 0.00 -1.01 0.00 0.00 57.07 55.67 1ekj s TYR 238 Cb -0.12 -1.22 0.44 0.00 -0.11 0.00 0.00 41.96 40.95 1ekj s TYR 238 CO 0.02 -0.28 1.36 -1.13 -1.11 0.00 0.00 175.55 174.41 1ekj n SER 239 N 3.59 3.49 -4.18 2.29 3.41 -1.26 -4.98 113.62 115.98 1ekj n SER 239 Ca -0.21 -2.40 -0.11 0.00 -0.26 0.00 0.00 58.87 55.89 1ekj n SER 239 Cb 0.52 -0.38 -0.10 0.00 -0.26 0.00 0.00 64.21 63.99 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 -1.72 0.77 0.07 6.66 -4.23 -1.26 -5.06 115.64 110.86 1ekj s THR 240 Ca 0.33 -1.89 -0.08 0.00 -1.18 0.00 0.00 61.69 58.87 1ekj s THR 240 Cb 0.22 -1.63 -0.29 0.00 1.34 0.00 0.00 72.50 72.14 1ekj s THR 240 CO 0.15 -0.81 1.13 0.44 -0.54 0.00 0.00 174.62 174.99 1ekj h ASP 241 N 3.05 0.60 0.00 3.99 3.32 -2.04 -3.45 116.42 121.90 1ekj h ASP 241 Ca -0.36 -0.60 0.00 0.00 0.02 0.00 0.00 57.03 56.09 1ekj h ASP 241 Cb 1.17 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.53 1ekj h ASP 241 CO 0.63 1.45 -0.18 0.49 -1.72 0.00 0.00 179.24 179.91 1ekj n PHE 242 N -3.64 0.00 -0.14 4.55 3.01 -1.26 -4.86 117.46 115.12 1ekj n PHE 242 Ca -0.11 0.00 -0.04 0.00 1.01 0.00 0.00 57.45 58.31 1ekj n PHE 242 Cb 1.01 0.00 0.02 0.00 -0.01 0.00 0.00 39.48 40.50 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 0.55 -0.27 4.37 2.04 -1.99 0.73 117.51 122.93 1ekj h ILE 243 Ca 0.00 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 1ekj h ILE 243 Cb 0.18 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1ekj h ILE 243 CO 0.00 0.00 0.04 -0.33 0.00 0.00 0.00 178.15 177.86 1ekj h GLU 244 N -0.01 0.45 -0.97 2.37 5.08 -1.92 -1.89 114.58 117.70 1ekj h GLU 244 Ca 0.21 -0.12 0.14 0.00 -1.00 0.00 0.00 59.36 58.59 1ekj h GLU 244 Cb 0.33 -0.05 -0.08 0.00 0.50 0.00 0.00 28.75 29.44 1ekj h GLU 244 CO -0.46 0.57 0.61 1.49 -1.00 0.00 0.00 179.01 180.23 1ekj h GLU 245 N 0.26 0.83 0.13 2.33 4.57 -1.70 -2.01 114.58 119.00 1ekj h GLU 245 Ca 0.08 -0.05 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1ekj h GLU 245 Cb 0.34 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.75 1ekj h GLU 245 CO 0.01 0.55 -0.06 2.35 -1.18 0.00 0.00 179.01 180.67 1ekj h TRP 246 N 0.85 -0.17 0.00 0.92 2.91 -0.58 -3.30 115.95 116.58 1ekj h TRP 246 Ca 0.50 -0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.51 1ekj h TRP 246 Cb 0.65 0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.35 1ekj h TRP 246 CO -0.00 0.24 0.00 1.33 -1.03 0.00 0.00 178.44 178.98 1ekj n VAL 247 N -4.87 1.06 0.27 2.65 0.24 -0.74 -2.15 118.33 114.80 1ekj n VAL 247 Ca -0.06 0.27 0.11 0.00 -2.04 0.00 0.00 64.34 62.61 1ekj n VAL 247 Cb 0.24 -1.10 0.51 0.00 -1.47 0.00 0.00 33.84 32.01 1ekj n VAL 247 CO 0.00 0.00 0.00 2.29 -2.14 0.00 0.00 176.83 176.98 1ekj n LYS 248 N -1.40 0.15 -0.10 7.34 2.85 -0.76 -0.66 118.16 125.59 1ekj n LYS 248 Ca 0.03 0.52 0.17 0.00 -1.05 0.00 0.00 58.31 57.99 1ekj n LYS 248 Cb 0.10 -1.88 0.57 0.00 -0.65 0.00 0.00 35.03 33.17 1ekj n LYS 248 CO 0.00 0.00 0.00 0.82 -0.05 0.00 0.00 177.40 178.17 1ekj h ILE 249 N 0.00 0.78 -0.22 0.58 2.04 -1.66 -1.17 117.51 117.86 1ekj h ILE 249 Ca 0.00 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1ekj h ILE 249 Cb 0.17 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.75 1ekj h ILE 249 CO 0.00 0.05 0.00 0.61 0.00 0.00 0.00 178.15 178.81 1ekj n GLY 250 N -1.57 0.30 0.38 5.37 0.00 0.16 -4.41 105.19 105.42 1ekj n GLY 250 Ca 0.12 -0.37 0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 1.94 0.62 -1.05 0.99 3.38 -1.34 -0.41 115.31 119.44 1ekj h LEU 251 Ca 0.00 0.08 -0.00 0.00 0.09 0.00 0.00 57.88 58.04 1ekj h LEU 251 Cb 0.43 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.11 1ekj h LEU 251 CO 0.00 0.22 0.53 1.55 0.09 0.00 0.00 178.44 180.83 1ekj h PRO 252 N 0.60 1.18 -0.30 1.13 0.13 -1.83 0.91 132.00 133.82 1ekj h PRO 252 Ca 0.54 -0.10 -0.03 0.00 -0.87 0.00 0.00 66.00 65.54 1ekj h PRO 252 Cb 1.07 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 31.94 1ekj h PRO 252 CO -0.30 0.82 0.08 0.00 -0.23 0.00 0.00 178.00 178.38 1ekj h ALA 253 N 1.38 0.39 -0.46 -0.56 0.00 -1.40 -1.58 119.26 117.03 1ekj h ALA 253 Ca 0.31 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 55.13 1ekj h ALA 253 Cb -0.06 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1ekj h ALA 253 CO -0.06 0.04 0.14 -0.22 0.00 0.00 0.00 179.25 179.16 1ekj h LYS 254 N 0.32 0.30 -0.73 0.00 3.64 -0.76 0.67 116.57 120.01 1ekj h LYS 254 Ca 0.10 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1ekj h LYS 254 Cb 0.27 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.98 1ekj h LYS 254 CO -0.00 0.20 0.46 0.00 -2.27 0.00 0.00 179.45 177.84 1ekj h ALA 255 N 1.32 0.94 -0.17 5.00 0.00 -0.72 -0.77 119.26 124.86 1ekj h ALA 255 Ca 0.22 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1ekj h ALA 255 Cb 0.24 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 1ekj h ALA 255 CO -0.24 0.27 -0.03 -0.22 0.00 0.00 0.00 179.25 179.03 1ekj h LYS 256 N 0.92 0.32 0.22 0.00 3.64 -0.69 -2.25 116.57 118.73 1ekj h LYS 256 Ca 0.28 -0.12 -0.00 0.00 -1.27 0.00 0.00 60.65 59.55 1ekj h LYS 256 Cb -0.02 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.77 1ekj h LYS 256 CO -0.10 0.57 -0.18 0.28 -2.27 0.00 0.00 179.45 177.75 1ekj h VAL 257 N 0.04 0.60 0.00 2.00 2.07 -0.63 -1.61 116.25 118.72 1ekj h VAL 257 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 1ekj h VAL 257 Cb 0.45 0.60 -0.00 0.00 -1.52 0.00 0.00 31.29 30.81 1ekj h VAL 257 CO 0.01 0.00 -0.11 0.11 0.02 0.00 0.00 177.57 177.60 1ekj h LYS 258 N -0.42 0.00 0.02 1.57 1.57 -1.20 0.23 116.57 118.34 1ekj h LYS 258 Ca -0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.55 1ekj h LYS 258 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.68 1ekj h LYS 258 CO -0.02 0.11 -0.96 0.00 -0.57 0.00 0.00 179.45 178.01 1ekj h ALA 259 N 1.89 0.41 0.00 3.86 0.00 -1.06 -2.85 119.26 121.50 1ekj h ALA 259 Ca -0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ekj h ALA 259 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ekj h ALA 259 CO 0.01 0.93 -1.39 1.04 0.00 0.00 0.00 179.25 179.84 1ekj n GLN 260 N -3.64 0.28 -2.22 0.00 6.02 -0.64 -4.49 117.38 112.70 1ekj n GLN 260 Ca -0.05 -0.08 -0.01 0.00 -0.01 0.00 0.00 57.00 56.85 1ekj n GLN 260 Cb 0.86 -1.52 0.05 0.00 1.02 0.00 0.00 30.24 30.65 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 -1.84 0.99 -0.31 1.08 8.25 0.77 -4.94 115.22 119.21 1ekj n HIS 261 Ca 0.01 -1.64 0.11 0.00 -0.26 0.00 0.00 57.72 55.95 1ekj n HIS 261 Cb 0.43 -0.22 0.29 0.00 1.12 0.00 0.00 29.99 31.61 1ekj n HIS 261 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1ekj h GLY 262 N 2.00 1.55 1.56 -1.41 0.00 -1.64 -2.49 103.07 102.64 1ekj h GLY 262 Ca -0.10 -0.24 -0.19 0.00 0.00 0.00 0.00 47.33 46.80 1ekj h GLY 262 CO 0.21 -0.15 -0.76 -0.55 0.00 0.00 0.00 176.54 175.29 1ekj h ASP 263 N 0.55 0.52 -1.22 0.19 3.32 -1.92 -3.47 116.42 114.39 1ekj h ASP 263 Ca 0.54 -0.35 -0.49 0.00 0.02 0.00 0.00 57.03 56.75 1ekj h ASP 263 Cb 0.91 -0.15 0.12 0.00 0.22 0.00 0.00 39.33 40.42 1ekj h ASP 263 CO -0.44 1.10 -0.69 0.00 -1.72 0.00 0.00 179.24 177.49 1ekj n ALA 264 N -2.52 -2.60 -1.11 3.45 0.00 -0.94 -4.89 120.51 111.90 1ekj n ALA 264 Ca -0.05 0.13 -0.32 0.00 0.00 0.00 0.00 53.44 53.20 1ekj n ALA 264 Cb 0.72 -1.16 0.12 0.00 0.00 0.00 0.00 19.45 19.13 1ekj n ALA 264 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1ekj s PRO 265 N -0.78 1.81 0.21 0.00 0.04 -1.26 -4.74 135.00 130.28 1ekj s PRO 265 Ca 0.47 1.53 -0.09 0.00 0.04 0.00 0.00 61.00 62.95 1ekj s PRO 265 Cb -0.53 -1.82 0.27 0.00 0.04 0.00 0.00 34.50 32.46 1ekj s PRO 265 CO 0.48 -2.04 1.76 0.35 0.04 0.00 0.00 177.00 177.59 1ekj h PHE 266 N -1.01 0.48 -0.96 0.56 3.57 -1.98 -1.50 116.94 116.09 1ekj h PHE 266 Ca -0.45 0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.16 1ekj h PHE 266 Cb 1.27 -0.12 -0.07 0.00 2.79 0.00 0.00 35.95 39.82 1ekj h PHE 266 CO 0.51 0.16 0.62 0.00 -2.23 0.00 0.00 178.31 177.37 1ekj h ALA 267 N 1.40 1.49 -0.32 2.41 0.00 -2.00 -0.16 119.26 122.08 1ekj h ALA 267 Ca 0.31 -0.01 -0.18 0.00 0.00 0.00 0.00 54.91 55.02 1ekj h ALA 267 Cb 0.33 -0.26 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1ekj h ALA 267 CO -0.27 0.34 -0.50 1.49 0.00 0.00 0.00 179.25 180.31 1ekj h GLU 268 N 1.06 0.89 -0.08 0.00 4.81 -1.72 -2.73 114.58 116.81 1ekj h GLU 268 Ca 0.43 -0.54 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ekj h GLU 268 Cb 0.28 0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 1ekj h GLU 268 CO -0.18 1.18 -0.07 -0.07 -0.73 0.00 0.00 179.01 179.14 1ekj h LEU 269 N 0.70 -0.21 -0.67 1.64 3.38 -0.44 -0.98 115.31 118.73 1ekj h LEU 269 Ca 0.03 0.04 0.13 0.00 0.09 0.00 0.00 57.88 58.17 1ekj h LEU 269 Cb 1.10 0.11 -0.09 0.00 0.09 0.00 0.00 40.66 41.87 1ekj h LEU 269 CO 0.11 -0.09 0.17 0.00 0.09 0.00 0.00 178.44 178.73 1ekj h THR 271 N 0.30 1.18 -0.85 0.00 2.02 -1.08 0.17 112.91 114.64 1ekj h THR 271 Ca 0.36 -0.54 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1ekj h THR 271 Cb 0.56 0.87 -0.04 0.00 -1.74 0.00 0.00 68.15 67.80 1ekj h THR 271 CO -0.44 0.19 0.53 0.45 0.37 0.00 0.00 175.52 176.63 1ekj h HIS 272 N 0.44 1.09 -0.04 3.16 -0.00 -0.36 -2.82 115.15 116.62 1ekj h HIS 272 Ca 0.12 0.01 -0.16 0.00 -0.00 0.00 0.00 60.37 60.34 1ekj h HIS 272 Cb 0.16 -0.36 -0.01 0.00 -0.00 0.00 0.00 27.41 27.19 1ekj h HIS 272 CO -0.01 0.71 -0.69 0.00 -0.00 0.00 0.00 177.93 177.95 1ekj h GLU 274 N 0.13 1.01 0.04 0.00 5.08 -0.46 0.11 114.58 120.49 1ekj h GLU 274 Ca -0.02 -0.13 -0.10 0.00 -1.00 0.00 0.00 59.36 58.12 1ekj h GLU 274 Cb 1.22 -0.19 0.01 0.00 0.50 0.00 0.00 28.75 30.29 1ekj h GLU 274 CO 0.10 0.77 -0.42 0.87 -1.00 0.00 0.00 179.01 179.33 1ekj h LYS 275 N 1.01 0.22 -0.23 2.33 1.57 -1.31 -3.19 116.57 116.98 1ekj h LYS 275 Ca 0.25 -0.28 -0.09 0.00 -1.87 0.00 0.00 60.65 58.66 1ekj h LYS 275 Cb 0.07 0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 1ekj h LYS 275 CO -0.04 1.05 -0.23 0.93 -0.57 0.00 0.00 179.45 180.60 1ekj h GLU 276 N -0.48 0.42 -0.36 3.15 4.39 -1.01 -2.23 114.58 118.45 1ekj h GLU 276 Ca -0.06 -0.14 0.00 0.00 0.34 0.00 0.00 59.36 59.49 1ekj h GLU 276 Cb 1.23 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 1ekj h GLU 276 CO 0.08 0.62 0.23 0.00 -1.16 0.00 0.00 179.01 178.78 1ekj h ALA 277 N 1.39 1.73 -0.80 3.43 0.00 -0.86 -0.60 119.26 123.54 1ekj h ALA 277 Ca 0.06 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.90 1ekj h ALA 277 Cb 0.61 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.22 1ekj h ALA 277 CO 0.04 0.25 0.36 0.28 0.00 0.00 0.00 179.25 180.18 1ekj h VAL 278 N 0.49 1.26 -0.29 0.00 2.07 -1.39 -0.92 116.25 117.47 1ekj h VAL 278 Ca 0.13 -0.76 -0.10 0.00 0.82 0.00 0.00 66.70 66.79 1ekj h VAL 278 Cb -0.04 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 1ekj h VAL 278 CO -0.03 0.32 -0.23 0.78 0.02 0.00 0.00 177.57 178.43 1ekj h ASN 279 N 1.15 0.57 -0.53 0.57 2.35 -1.25 0.54 115.58 118.98 1ekj h ASN 279 Ca 0.27 -0.19 -0.07 0.00 -0.55 0.00 0.00 56.30 55.76 1ekj h ASN 279 Cb 0.16 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 1ekj h ASN 279 CO -0.03 0.80 0.07 0.00 -1.65 0.00 0.00 177.43 176.62 1ekj h ALA 280 N 1.25 0.71 -0.64 -0.83 0.00 -0.80 -1.19 119.26 117.76 1ekj h ALA 280 Ca 0.07 -0.25 -0.08 0.00 0.00 0.00 0.00 54.91 54.65 1ekj h ALA 280 Cb 0.67 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 1ekj h ALA 280 CO 0.05 0.47 0.08 0.77 0.00 0.00 0.00 179.25 180.62 1ekj h SER 281 N 0.78 1.03 -0.48 0.00 0.02 -0.55 0.06 113.55 114.40 1ekj h SER 281 Ca 0.16 -0.25 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1ekj h SER 281 Cb 0.43 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.67 1ekj h SER 281 CO 0.01 1.03 0.26 -0.07 -1.14 0.00 0.00 176.83 176.93 1ekj h LEU 282 N 1.00 0.60 -0.88 5.07 3.38 -0.72 -0.54 115.31 123.22 1ekj h LEU 282 Ca 0.19 -0.09 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 1ekj h LEU 282 Cb 0.46 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 41.01 1ekj h LEU 282 CO 0.02 0.52 0.54 1.23 0.09 0.00 0.00 178.44 180.84 1ekj h GLY 283 N 0.64 1.27 2.00 0.83 0.00 -0.85 -2.16 103.07 104.80 1ekj h GLY 283 Ca 0.17 -0.52 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 1ekj h GLY 283 CO -0.03 0.50 -0.27 3.43 0.00 0.00 0.00 176.54 180.18 1ekj h ASN 284 N 1.21 0.00 0.16 0.19 2.35 -0.28 -1.87 115.58 117.34 1ekj h ASN 284 Ca 0.32 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 56.02 1ekj h ASN 284 Cb -0.07 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.30 1ekj h ASN 284 CO -0.06 0.27 -0.20 -0.07 -1.65 0.00 0.00 177.43 175.72 1ekj h LEU 285 N 0.00 0.08 0.00 1.61 3.38 -0.45 -1.66 115.31 118.26 1ekj h LEU 285 Ca -0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1ekj h LEU 285 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1ekj h LEU 285 CO 0.04 0.28 0.00 0.18 0.09 0.00 0.00 178.44 179.03 1ekj n LEU 286 N -4.27 0.00 -0.55 1.67 4.77 -0.70 -2.22 117.00 115.70 1ekj n LEU 286 Ca -0.02 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.09 1ekj n LEU 286 Cb 0.28 0.00 0.32 0.00 -2.33 0.00 0.00 43.42 41.69 1ekj n LEU 286 CO 0.37 0.00 0.69 0.35 -1.33 0.00 0.00 177.39 177.48 1ekj n THR 287 N -0.98 0.00 -3.26 -5.08 -2.24 -0.62 -4.76 114.28 97.33 1ekj n THR 287 Ca 0.15 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.22 1ekj n THR 287 Cb 0.07 0.81 -0.08 0.00 -2.10 0.00 0.00 70.33 69.03 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 -2.17 3.14 0.37 4.78 1.51 -0.94 -4.49 117.35 119.55 1ekj s TYR 288 Ca 0.30 -0.36 0.15 0.00 -1.01 0.00 0.00 57.07 56.15 1ekj s TYR 288 Cb 0.20 -3.07 1.01 0.00 -0.11 0.00 0.00 41.96 39.99 1ekj s TYR 288 CO 0.40 -0.78 1.77 -1.35 -1.11 0.00 0.00 175.55 174.48 1ekj h PRO 289 N 8.79 0.47 0.00 -1.71 0.11 -1.88 0.17 132.00 137.95 1ekj h PRO 289 Ca -0.26 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.78 1ekj h PRO 289 Cb 1.11 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1ekj h PRO 289 CO 0.84 0.31 -0.18 0.27 -0.21 0.00 0.00 178.00 179.03 1ekj h PHE 290 N 0.48 0.00 -0.03 0.65 -5.15 -1.95 -0.78 116.94 110.16 1ekj h PHE 290 Ca 0.59 0.00 -0.10 0.00 -0.20 0.00 0.00 57.97 58.26 1ekj h PHE 290 Cb 1.34 0.00 0.01 0.00 0.22 0.00 0.00 35.95 37.51 1ekj h PHE 290 CO -0.00 0.18 -0.39 0.28 -2.00 0.00 0.00 178.31 176.38 1ekj h VAL 291 N 0.00 1.46 -0.84 0.88 2.07 -0.97 -2.07 116.25 116.77 1ekj h VAL 291 Ca -0.00 -1.89 0.05 0.00 0.82 0.00 0.00 66.70 65.68 1ekj h VAL 291 Cb 0.76 2.52 -0.06 0.00 -1.52 0.00 0.00 31.29 32.99 1ekj h VAL 291 CO 0.02 0.54 0.52 0.03 0.02 0.00 0.00 177.57 178.70 1ekj h ARG 292 N -0.22 0.94 -0.74 1.57 3.08 -1.17 -1.11 114.38 116.73 1ekj h ARG 292 Ca -0.04 -0.06 -0.05 0.00 0.07 0.00 0.00 59.98 59.91 1ekj h ARG 292 Cb 1.08 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.89 1ekj h ARG 292 CO 0.08 0.62 0.27 1.49 -1.07 0.00 0.00 179.97 181.37 1ekj h GLU 293 N 0.97 1.11 -0.50 0.04 4.81 -1.16 0.12 114.58 119.97 1ekj h GLU 293 Ca 0.36 -0.21 -0.07 0.00 -0.13 0.00 0.00 59.36 59.30 1ekj h GLU 293 Cb 0.13 -0.17 -0.02 0.00 0.63 0.00 0.00 28.75 29.31 1ekj h GLU 293 CO -0.16 0.92 0.02 0.78 -0.73 0.00 0.00 179.01 179.84 1ekj h GLY 294 N 1.07 0.88 0.78 1.92 0.00 -0.91 -0.36 103.07 106.44 1ekj h GLY 294 Ca 0.24 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.93 1ekj h GLY 294 CO -0.02 0.54 -0.11 1.41 0.00 0.00 0.00 176.54 178.37 1ekj h LEU 295 N 0.77 0.40 -0.32 3.11 3.38 -0.59 -0.03 115.31 122.03 1ekj h LEU 295 Ca 0.15 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1ekj h LEU 295 Cb 0.44 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 1ekj h LEU 295 CO 0.02 0.75 0.11 0.58 0.09 0.00 0.00 178.44 179.99 1ekj h VAL 296 N 0.06 0.91 0.00 1.22 2.07 -0.85 -1.55 116.25 118.11 1ekj h VAL 296 Ca 0.04 -0.09 0.00 0.00 0.82 0.00 0.00 66.70 67.47 1ekj h VAL 296 Cb 0.61 0.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 1ekj h VAL 296 CO 0.03 0.05 0.00 0.59 0.02 0.00 0.00 177.57 178.26 1ekj n ASN 297 N -5.02 0.00 -1.82 0.57 3.02 -0.16 -4.89 115.26 106.96 1ekj n ASN 297 Ca 0.00 -1.03 -0.20 0.00 -0.03 0.00 0.00 54.58 53.32 1ekj n ASN 297 Cb 0.11 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.23 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 -0.89 -1.48 0.00 3.52 4.76 -0.52 -4.83 118.16 118.71 1ekj n LYS 298 Ca 0.16 1.13 0.12 0.00 -2.87 0.00 0.00 58.31 56.86 1ekj n LYS 298 Cb 0.07 -5.58 0.19 0.00 -1.84 0.00 0.00 35.03 27.87 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 -2.97 0.00 -3.91 -0.18 -2.24 -0.14 -4.92 114.28 99.91 1ekj n THR 299 Ca -0.22 -0.36 -0.10 0.00 -2.27 0.00 0.00 64.05 61.10 1ekj n THR 299 Cb 0.67 1.14 -0.11 0.00 -2.10 0.00 0.00 70.33 69.93 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 -2.15 1.93 0.06 3.22 2.96 -0.94 -4.46 118.68 119.29 1ekj s LEU 300 Ca 0.28 -0.24 0.06 0.00 -0.22 0.00 0.00 54.13 54.00 1ekj s LEU 300 Cb 0.20 0.27 -0.03 0.00 0.50 0.00 0.00 46.19 47.13 1ekj s LEU 300 CO 0.39 -0.23 -0.17 0.00 -1.32 0.00 0.00 176.35 175.02 1ekj s ALA 301 N -0.99 1.40 -0.00 5.97 0.00 -0.09 -4.32 121.76 123.73 1ekj s ALA 301 Ca -0.11 -1.00 0.06 0.00 0.00 0.00 0.00 51.96 50.92 1ekj s ALA 301 Cb -0.07 -0.20 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1ekj s ALA 301 CO -0.00 0.26 -0.19 -0.51 0.00 0.00 0.00 175.76 175.32 1ekj s LEU 302 N -1.46 2.49 -0.03 0.00 1.02 -1.26 -0.81 118.68 118.63 1ekj s LEU 302 Ca 0.03 -0.38 -0.14 0.00 0.02 0.00 0.00 54.13 53.66 1ekj s LEU 302 Cb -0.09 -1.47 0.02 0.00 0.02 0.00 0.00 46.19 44.67 1ekj s LEU 302 CO 0.02 0.30 0.31 -0.54 0.02 0.00 0.00 176.35 176.46 1ekj s LYS 303 N -1.01 0.62 0.08 1.70 1.02 -0.25 -1.92 119.74 119.99 1ekj s LYS 303 Ca 0.12 -0.11 0.07 0.00 0.02 0.00 0.00 55.97 56.08 1ekj s LYS 303 Cb -0.10 0.28 -0.04 0.00 -0.52 0.00 0.00 37.83 37.45 1ekj s LYS 303 CO 0.02 -0.16 -0.14 0.20 -0.92 0.00 0.00 175.35 174.34 1ekj s GLY 304 N -1.12 1.70 0.14 -3.33 0.00 -0.26 -0.82 107.32 103.63 1ekj s GLY 304 Ca -0.12 -1.25 0.01 0.00 0.00 0.00 0.00 44.72 43.36 1ekj s GLY 304 CO 0.04 -1.19 0.01 -0.32 0.00 0.00 0.00 173.10 171.64 1ekj s GLY 305 N -1.92 1.05 -0.18 0.20 0.00 -0.24 -0.53 107.32 105.69 1ekj s GLY 305 Ca 0.18 -1.50 -0.05 0.00 0.00 0.00 0.00 44.72 43.35 1ekj s GLY 305 CO 0.10 -1.45 0.34 -0.47 0.00 0.00 0.00 173.10 171.62 1ekj s TYR 306 N -3.81 -0.63 -0.30 1.90 5.04 0.33 -1.69 117.35 118.19 1ekj s TYR 306 Ca 0.22 1.08 -0.11 0.00 -2.44 0.00 0.00 57.07 55.82 1ekj s TYR 306 Cb 0.07 0.07 -0.03 0.00 0.35 0.00 0.00 41.96 42.42 1ekj s TYR 306 CO 0.01 -0.50 0.19 -0.47 -1.34 0.00 0.00 175.55 173.45 1ekj s TYR 307 N 2.51 3.21 -0.55 4.97 5.04 -0.57 -1.25 117.35 130.69 1ekj s TYR 307 Ca 0.03 -0.14 -0.15 0.00 -2.44 0.00 0.00 57.07 54.37 1ekj s TYR 307 Cb -0.13 -2.40 0.14 0.00 0.35 0.00 0.00 41.96 39.92 1ekj s TYR 307 CO -0.12 -0.29 0.50 0.34 -1.34 0.00 0.00 175.55 174.65 1ekj s ASP 308 N 1.71 6.18 0.00 4.32 -1.08 -0.32 -1.60 116.67 125.88 1ekj s ASP 308 Ca 0.06 -1.88 0.24 0.00 -0.52 0.00 0.00 52.55 50.46 1ekj s ASP 308 Cb -0.17 -2.19 1.46 0.00 -1.46 0.00 0.00 42.92 40.57 1ekj s ASP 308 CO 0.10 -0.82 1.92 2.22 0.52 0.00 0.00 175.17 179.11 1ekj n PHE 309 N 5.11 0.00 -0.11 -5.34 1.16 -1.26 0.41 117.46 117.43 1ekj n PHE 309 Ca -0.11 0.00 -0.22 0.00 -1.87 0.00 0.00 57.45 55.25 1ekj n PHE 309 Cb 0.41 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.18 1ekj n PHE 309 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ekj n VAL 310 N -0.89 1.52 0.16 1.97 0.31 -1.26 -4.28 118.33 115.85 1ekj n VAL 310 Ca 0.18 -0.08 0.07 0.00 -0.01 0.00 0.00 64.34 64.50 1ekj n VAL 310 Cb 0.08 -2.05 0.07 0.00 -0.91 0.00 0.00 33.84 31.03 1ekj n VAL 310 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 1ekj h LYS 311 N -1.00 0.00 -3.40 5.55 1.57 -1.99 -3.48 116.57 113.82 1ekj h LYS 311 Ca -0.39 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.36 1ekj h LYS 311 Cb 1.29 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.63 1ekj h LYS 311 CO -0.23 0.23 -0.11 0.41 -0.57 0.00 0.00 179.45 179.17 1ekj n GLY 312 N 1.19 0.37 3.29 3.86 0.00 0.17 -5.09 105.19 108.97 1ekj n GLY 312 Ca 0.01 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.88 0.12 -0.07 1.61 1.04 -0.61 -4.99 113.70 107.91 1ekj s SER 313 Ca 0.06 -1.10 -0.03 0.00 0.48 0.00 0.00 55.95 55.36 1ekj s SER 313 Cb -0.01 0.41 0.04 0.00 0.10 0.00 0.00 66.02 66.56 1ekj s SER 313 CO 0.12 -0.87 0.15 0.12 0.98 0.00 0.00 173.24 173.74 1ekj s PHE 314 N -4.05 -0.17 -0.05 5.02 5.36 -1.26 -1.17 117.98 121.65 1ekj s PHE 314 Ca 0.25 0.53 0.02 0.00 -0.96 0.00 0.00 56.93 56.78 1ekj s PHE 314 Cb 0.05 -0.14 -0.03 0.00 -0.34 0.00 0.00 43.02 42.56 1ekj s PHE 314 CO 0.05 -0.20 -0.11 -1.21 -1.46 0.00 0.00 175.22 172.29 1ekj s GLU 315 N 1.52 2.60 -0.02 10.12 2.02 -0.38 -4.95 118.70 129.60 1ekj s GLU 315 Ca -0.05 -0.64 0.03 0.00 0.02 0.00 0.00 54.97 54.32 1ekj s GLU 315 Cb -0.12 -2.47 0.00 0.00 0.10 0.00 0.00 34.13 31.65 1ekj s GLU 315 CO -0.06 0.64 -0.09 -1.17 0.02 0.00 0.00 175.26 174.60 1ekj s LEU 316 N -0.80 1.84 0.07 1.80 2.96 -1.26 -0.51 118.68 122.78 1ekj s LEU 316 Ca 0.12 -0.18 0.01 0.00 -0.22 0.00 0.00 54.13 53.86 1ekj s LEU 316 Cb -0.11 -0.54 -0.04 0.00 0.50 0.00 0.00 46.19 46.01 1ekj s LEU 316 CO 0.01 0.08 -0.06 -1.66 -1.32 0.00 0.00 176.35 173.40 1ekj s TRP 317 N 0.10 0.71 0.23 5.38 -2.14 0.31 -5.00 118.94 118.53 1ekj s TRP 317 Ca -0.02 -0.87 0.09 0.00 2.66 0.00 0.00 56.10 57.97 1ekj s TRP 317 Cb -0.07 -0.44 -0.04 0.00 -3.10 0.00 0.00 33.47 29.81 1ekj s TRP 317 CO 0.00 -0.21 -0.00 0.20 -2.66 0.00 0.00 176.95 174.29 1ekj s GLY 318 N -2.67 1.66 -0.06 3.67 0.00 -1.26 -1.10 107.32 107.56 1ekj s GLY 318 Ca 0.05 -1.55 0.04 0.00 0.00 0.00 0.00 44.72 43.26 1ekj s GLY 318 CO -0.05 -1.60 -0.16 -2.27 0.00 0.00 0.00 173.10 169.02 1ekj s LEU 319 N -3.42 2.61 -0.08 0.66 0.20 -0.81 -4.92 118.68 112.93 1ekj s LEU 319 Ca 0.30 -0.27 0.03 0.00 0.69 0.00 0.00 54.13 54.88 1ekj s LEU 319 Cb -0.07 -1.53 -0.02 0.00 -0.43 0.00 0.00 46.19 44.14 1ekj s LEU 319 CO 0.19 0.31 -0.17 -1.61 -0.29 0.00 0.00 176.35 174.78 1ekj s GLU 320 N -0.51 2.80 -0.08 1.98 8.01 -1.26 -4.47 118.70 125.16 1ekj s GLU 320 Ca 0.07 -0.76 -0.07 0.00 0.01 0.00 0.00 54.97 54.23 1ekj s GLU 320 Cb -0.12 -2.40 0.02 0.00 -4.31 0.00 0.00 34.13 27.33 1ekj s GLU 320 CO 0.01 0.42 0.20 0.12 0.01 0.00 0.00 175.26 176.03 1ekj s PHE 321 N -0.21 -0.23 0.27 1.61 5.36 -1.26 -5.16 117.98 118.36 1ekj s PHE 321 Ca -0.00 0.56 -0.17 0.00 -0.96 0.00 0.00 56.93 56.36 1ekj s PHE 321 Cb -0.13 0.07 0.01 0.00 -0.34 0.00 0.00 43.02 42.62 1ekj s PHE 321 CO 0.03 -0.12 0.63 0.20 -1.46 0.00 0.00 175.22 174.50 1ekj s GLY 322 N 0.27 0.19 -0.05 13.12 0.00 -1.26 -4.47 107.32 115.13 1ekj s GLY 322 Ca -0.01 -0.57 -0.04 0.00 0.00 0.00 0.00 44.72 44.10 1ekj s GLY 322 CO -0.01 -0.32 0.12 1.08 0.00 0.00 0.00 173.10 173.97 1ekj s LEU 323 N -2.97 1.53 -0.15 0.66 1.43 -1.26 -5.05 118.68 112.87 1ekj s LEU 323 Ca 0.16 0.24 -0.11 0.00 -1.03 0.00 0.00 54.13 53.40 1ekj s LEU 323 Cb -0.04 0.42 0.05 0.00 0.03 0.00 0.00 46.19 46.65 1ekj s LEU 323 CO 0.08 -0.04 0.38 -0.94 0.23 0.00 0.00 176.35 176.05 1ekj s SER 324 N 0.06 -0.43 0.14 2.29 1.04 -1.26 -5.08 113.70 110.46 1ekj s SER 324 Ca -0.00 0.79 -0.32 0.00 0.48 0.00 0.00 55.95 56.90 1ekj s SER 324 Cb -0.01 0.73 -0.11 0.00 0.10 0.00 0.00 66.02 66.73 1ekj s SER 324 CO 0.00 -0.16 1.78 -0.24 0.98 0.00 0.00 173.24 175.60 1ekj n SER 325 N 3.62 3.92 -0.13 7.02 2.88 -1.26 -4.93 113.62 124.74 1ekj n SER 325 Ca -0.19 1.02 -0.22 0.00 -1.33 0.00 0.00 58.87 58.15 1ekj n SER 325 Cb 0.56 -1.54 -0.11 0.00 -0.75 0.00 0.00 64.21 62.37 1ekj n SER 325 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 1ekj n THR 326 N 4.38 1.52 -3.62 2.46 -1.04 -1.26 -5.08 114.28 111.64 1ekj n THR 326 Ca 0.18 -0.50 -0.02 0.00 -2.04 0.00 0.00 64.05 61.67 1ekj n THR 326 Cb 0.35 -1.60 -0.01 0.00 -1.82 0.00 0.00 70.33 67.25 1ekj n THR 326 CO 0.00 0.00 0.00 0.72 -0.64 0.00 0.00 175.07 175.15 1ekj s PHE 327 N -2.51 -0.10 -0.21 -1.42 -0.12 -1.26 -5.14 117.98 107.21 1ekj s PHE 327 Ca -0.36 -0.01 -0.04 0.00 -0.05 0.00 0.00 56.93 56.48 1ekj s PHE 327 Cb 0.11 0.55 0.10 0.00 -0.63 0.00 0.00 43.02 43.15 1ekj s PHE 327 CO 0.57 -0.34 0.26 0.45 -0.05 0.00 0.00 175.22 176.11 1ekj s SER 328 N -2.67 1.08 0.00 1.98 0.15 -1.26 -5.28 113.70 107.70 1ekj s SER 328 Ca 0.12 -0.09 0.00 0.00 0.70 0.00 0.00 55.95 56.68 1ekj s SER 328 Cb 0.02 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.88 1ekj s SER 328 CO -0.04 -0.32 0.27 1.33 1.20 0.00 0.00 173.24 175.69