#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ekj h ALA 121 N 0.00 1.54 0.00 4.31 0.00 -2.05 0.29 119.26 123.35 1ekj h ALA 121 Ca 0.00 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 1ekj h ALA 121 Cb 0.00 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1ekj h ALA 121 CO 0.00 0.01 -0.26 0.77 0.00 0.00 0.00 179.25 179.78 1ekj h SER 122 N 0.00 0.00 -0.00 0.00 0.02 -2.05 -1.80 113.55 109.71 1ekj h SER 122 Ca -0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.89 1ekj h SER 122 Cb 0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1ekj h SER 122 CO 0.00 0.26 -0.22 -0.08 -1.14 0.00 0.00 176.83 175.64 1ekj h GLU 123 N 0.00 0.15 -0.91 3.45 4.57 -0.89 -2.17 114.58 118.78 1ekj h GLU 123 Ca -0.00 -0.16 0.23 0.00 -1.18 0.00 0.00 59.36 58.25 1ekj h GLU 123 Cb 0.48 0.05 -0.13 0.00 -0.16 0.00 0.00 28.75 28.99 1ekj h GLU 123 CO 0.03 0.91 0.41 -0.09 -1.18 0.00 0.00 179.01 179.09 1ekj h ARG 124 N -0.53 0.38 -0.20 1.92 1.12 -1.12 0.55 114.38 116.49 1ekj h ARG 124 Ca -0.03 -0.02 -0.11 0.00 -1.11 0.00 0.00 59.98 58.71 1ekj h ARG 124 Cb 0.99 -0.08 -0.01 0.00 -0.01 0.00 0.00 29.97 30.85 1ekj h ARG 124 CO 0.04 0.25 -0.35 0.82 -3.11 0.00 0.00 179.97 177.63 1ekj h ILE 125 N 0.39 1.29 0.27 1.20 2.04 -1.22 -1.53 117.51 119.95 1ekj h ILE 125 Ca 0.58 -1.43 -0.01 0.00 1.00 0.00 0.00 64.86 65.00 1ekj h ILE 125 Cb 1.14 1.52 0.00 0.00 -0.74 0.00 0.00 36.82 38.74 1ekj h ILE 125 CO -0.55 0.44 -0.13 0.50 0.00 0.00 0.00 178.15 178.42 1ekj h LYS 126 N 0.36 -0.35 -0.73 2.37 3.64 0.64 -2.75 116.57 119.75 1ekj h LYS 126 Ca 0.04 0.02 0.16 0.00 -1.27 0.00 0.00 60.65 59.61 1ekj h LYS 126 Cb 0.78 0.08 -0.13 0.00 -0.41 0.00 0.00 32.23 32.55 1ekj h LYS 126 CO 0.06 -0.23 -0.01 1.79 -2.27 0.00 0.00 179.45 178.79 1ekj h THR 127 N -1.04 0.36 -0.89 1.00 1.35 -0.94 0.23 112.91 112.98 1ekj h THR 127 Ca -0.04 -0.03 0.01 0.00 -0.55 0.00 0.00 66.41 65.80 1ekj h THR 127 Cb 0.28 0.26 -0.04 0.00 -1.73 0.00 0.00 68.15 66.91 1ekj h THR 127 CO 0.06 0.02 0.58 1.23 -0.25 0.00 0.00 175.52 177.16 1ekj h GLY 128 N 0.10 1.26 1.96 5.82 0.00 -1.38 0.09 103.07 110.92 1ekj h GLY 128 Ca 0.39 -0.48 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 1ekj h GLY 128 CO -0.65 0.47 -0.76 -2.75 0.00 0.00 0.00 176.54 172.85 1ekj h PHE 129 N 1.21 0.06 -0.42 5.60 3.57 -0.54 -2.79 116.94 123.63 1ekj h PHE 129 Ca 0.33 -0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.70 1ekj h PHE 129 Cb -0.13 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1ekj h PHE 129 CO 0.00 0.78 -0.10 -0.07 -2.23 0.00 0.00 178.31 176.69 1ekj h LEU 130 N 0.02 0.81 0.13 0.59 3.38 0.09 -1.09 115.31 119.25 1ekj h LEU 130 Ca -0.01 -0.36 0.02 0.00 0.09 0.00 0.00 57.88 57.61 1ekj h LEU 130 Cb 1.34 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 41.83 1ekj h LEU 130 CO 0.10 0.99 -0.31 -0.74 0.09 0.00 0.00 178.44 178.57 1ekj h HIS 131 N 0.62 -0.85 -0.43 1.13 2.76 -0.93 -1.65 115.15 115.80 1ekj h HIS 131 Ca 0.10 0.02 0.01 0.00 -2.20 0.00 0.00 60.37 58.30 1ekj h HIS 131 Cb 0.63 0.36 -0.02 0.00 1.55 0.00 0.00 27.41 29.93 1ekj h HIS 131 CO 0.05 -0.42 0.29 0.35 -1.30 0.00 0.00 177.93 176.89 1ekj h PHE 132 N -0.54 0.53 0.48 5.26 3.57 -1.43 0.43 116.94 125.24 1ekj h PHE 132 Ca 0.03 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1ekj h PHE 132 Cb 0.57 -0.18 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 1ekj h PHE 132 CO -0.28 0.33 -0.39 -0.22 -2.23 0.00 0.00 178.31 175.52 1ekj h LYS 133 N 0.57 -0.82 0.13 1.11 3.11 -0.26 0.90 116.57 121.30 1ekj h LYS 133 Ca 0.16 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 58.05 1ekj h LYS 133 Cb -0.04 0.19 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 1ekj h LYS 133 CO -0.04 -0.54 -0.06 1.57 -2.81 0.00 0.00 179.45 177.57 1ekj h LYS 134 N -0.85 -0.16 0.00 1.90 2.10 -1.36 0.09 116.57 118.28 1ekj h LYS 134 Ca -0.06 0.01 0.00 0.00 -2.00 0.00 0.00 60.65 58.60 1ekj h LYS 134 Cb 0.71 0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.08 1ekj h LYS 134 CO 0.00 0.26 0.00 0.39 -2.00 0.00 0.00 179.45 178.10 1ekj n GLU 135 N -4.86 0.04 0.14 0.07 -0.58 0.13 -3.13 120.64 112.46 1ekj n GLU 135 Ca -0.07 0.48 0.00 0.00 -0.42 0.00 0.00 57.16 57.15 1ekj n GLU 135 Cb 0.25 -1.63 0.00 0.00 -0.57 0.00 0.00 31.44 29.49 1ekj n GLU 135 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1ekj n LYS 136 N -1.72 0.00 -0.31 3.49 5.02 -0.71 -4.72 118.16 119.21 1ekj n LYS 136 Ca 0.01 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.39 1ekj n LYS 136 Cb 0.06 0.00 0.26 0.00 -0.02 0.00 0.00 35.03 35.33 1ekj n LYS 136 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1ekj h TYR 137 N 0.00 0.81 0.00 2.13 3.20 -0.59 -2.79 116.97 119.73 1ekj h TYR 137 Ca 0.00 0.04 -0.00 0.00 3.14 0.00 0.00 58.73 61.90 1ekj h TYR 137 Cb 0.00 -0.22 -0.00 0.00 1.54 0.00 0.00 36.73 38.05 1ekj h TYR 137 CO 0.00 0.15 -0.02 -0.44 -1.64 0.00 0.00 178.16 176.21 1ekj h ASP 138 N 0.61 0.00 0.00 -2.11 3.32 -1.10 -3.33 116.42 113.80 1ekj h ASP 138 Ca 0.51 -0.72 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1ekj h ASP 138 Cb 0.79 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.34 1ekj h ASP 138 CO -0.40 0.87 0.00 0.29 -1.72 0.00 0.00 179.24 178.28 1ekj n LYS 139 N -4.65 0.00 -2.76 3.56 5.02 -1.12 -1.88 118.16 116.32 1ekj n LYS 139 Ca -0.08 0.00 -0.09 0.00 -2.02 0.00 0.00 58.31 56.12 1ekj n LYS 139 Cb 0.35 -1.03 0.07 0.00 -0.02 0.00 0.00 35.03 34.41 1ekj n LYS 139 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1ekj n ASN 140 N -0.49 -0.89 -0.34 4.39 3.02 -1.07 -4.98 115.26 114.90 1ekj n ASN 140 Ca 0.00 -2.88 0.03 0.00 -0.03 0.00 0.00 54.58 51.70 1ekj n ASN 140 Cb 0.00 0.67 0.18 0.00 -0.61 0.00 0.00 39.78 40.02 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 2.59 0.99 0.00 3.52 0.13 -1.50 0.12 132.00 137.86 1ekj h PRO 141 Ca -0.15 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.92 1ekj h PRO 141 Cb 1.18 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.09 1ekj h PRO 141 CO 0.18 0.66 0.00 0.00 -0.23 0.00 0.00 178.00 178.61 1ekj h ALA 142 N 1.46 1.00 -0.49 -0.56 0.00 -1.92 0.12 119.26 118.87 1ekj h ALA 142 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.34 1ekj h ALA 142 Cb 0.27 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.06 1ekj h ALA 142 CO -0.21 0.00 0.00 -0.11 0.00 0.00 0.00 179.25 178.93 1ekj n LEU 143 N -2.92 0.41 0.27 0.00 0.00 0.31 -3.55 117.00 111.53 1ekj n LEU 143 Ca 0.02 0.50 0.14 0.00 0.00 0.00 0.00 56.01 56.67 1ekj n LEU 143 Cb 0.36 -0.42 0.74 0.00 0.00 0.00 0.00 43.42 44.10 1ekj n LEU 143 CO 0.28 -0.42 0.98 1.88 0.00 0.00 0.00 177.39 180.11 1ekj h TYR 144 N 0.00 0.00 0.00 1.96 -1.99 -1.34 -0.61 116.97 114.98 1ekj h TYR 144 Ca 0.00 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.71 1ekj h TYR 144 Cb 0.00 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 38.73 1ekj h TYR 144 CO 0.03 0.10 -0.11 0.78 -0.00 0.00 0.00 178.16 178.97 1ekj h GLY 145 N 1.03 0.00 0.09 3.88 0.00 -0.91 -0.62 103.07 106.54 1ekj h GLY 145 Ca -0.00 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.21 1ekj h GLY 145 CO 0.01 0.00 -0.65 0.83 0.00 0.00 0.00 176.54 176.73 1ekj h GLU 146 N 0.00 0.04 -0.42 4.80 4.39 -1.19 -3.37 114.58 118.83 1ekj h GLU 146 Ca -0.00 -0.07 0.09 0.00 0.34 0.00 0.00 59.36 59.72 1ekj h GLU 146 Cb 0.19 0.03 -0.09 0.00 -0.10 0.00 0.00 28.75 28.78 1ekj h GLU 146 CO 0.01 1.03 -0.28 -0.07 -1.16 0.00 0.00 179.01 178.55 1ekj h LEU 147 N -0.90 -0.94 -1.09 1.33 3.38 -1.08 0.22 115.31 116.23 1ekj h LEU 147 Ca -0.17 0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1ekj h LEU 147 Cb 1.22 0.46 -0.00 0.00 0.09 0.00 0.00 40.66 42.44 1ekj h LEU 147 CO -0.06 -0.29 0.64 0.00 0.09 0.00 0.00 178.44 178.81 1ekj h ALA 148 N 0.93 1.64 0.00 1.53 0.00 -1.28 0.35 119.26 122.44 1ekj h ALA 148 Ca 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1ekj h ALA 148 Cb 0.51 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.30 1ekj h ALA 148 CO -0.54 -0.64 -0.46 0.87 0.00 0.00 0.00 179.25 178.48 1ekj h LYS 149 N 0.00 0.00 0.00 0.00 1.57 -0.71 -3.50 116.57 113.93 1ekj h LYS 149 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ekj h LYS 149 Cb 1.28 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.59 1ekj h LYS 149 CO -0.00 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.29 1ekj n GLY 150 N 1.18 -0.24 3.05 3.86 0.00 0.12 -5.15 105.19 108.01 1ekj n GLY 150 Ca 0.02 -1.27 -0.15 0.00 0.00 0.00 0.00 46.02 44.62 1ekj n GLY 150 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1ekj s GLN 151 N -2.00 0.56 -0.43 1.61 -2.07 -1.26 -4.57 119.66 111.50 1ekj s GLN 151 Ca 0.00 -0.60 0.08 0.00 -1.82 0.00 0.00 55.36 53.02 1ekj s GLN 151 Cb 0.00 -0.43 0.29 0.00 -1.09 0.00 0.00 33.01 31.78 1ekj s GLN 151 CO 0.00 0.10 0.81 -1.13 -1.32 0.00 0.00 175.29 173.74 1ekj n SER 152 N 1.95 -1.03 -4.76 12.60 3.41 -1.26 -4.97 113.62 119.55 1ekj n SER 152 Ca -0.19 -3.16 -0.39 0.00 -0.26 0.00 0.00 58.87 54.86 1ekj n SER 152 Cb 0.56 0.59 -0.04 0.00 -0.26 0.00 0.00 64.21 65.06 1ekj n SER 152 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ekj s PRO 153 N -0.68 4.47 0.26 4.33 0.04 -1.23 -4.94 135.00 137.25 1ekj s PRO 153 Ca 0.32 1.75 0.23 0.00 0.04 0.00 0.00 61.00 63.34 1ekj s PRO 153 Cb 0.26 -2.99 0.14 0.00 0.04 0.00 0.00 34.50 31.94 1ekj s PRO 153 CO -0.12 0.08 1.23 -1.00 0.04 0.00 0.00 177.00 177.23 1ekj h PRO 154 N 3.40 0.00 -6.34 0.56 0.13 -1.78 -3.35 132.00 124.62 1ekj h PRO 154 Ca -0.47 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.05 1ekj h PRO 154 Cb 1.21 0.00 -0.11 0.00 0.13 0.00 0.00 31.00 32.23 1ekj h PRO 154 CO 0.65 0.00 -0.66 -0.06 -0.23 0.00 0.00 178.00 177.70 1ekj s PHE 155 N -3.30 2.84 -0.08 1.56 0.40 -1.17 0.19 117.98 118.43 1ekj s PHE 155 Ca 0.02 -0.13 0.01 0.00 -0.60 0.00 0.00 56.93 56.23 1ekj s PHE 155 Cb 0.09 -1.38 0.02 0.00 0.51 0.00 0.00 43.02 42.25 1ekj s PHE 155 CO 0.75 0.51 -0.10 1.41 0.70 0.00 0.00 175.22 178.49 1ekj s MET 156 N -2.91 1.57 -0.03 0.44 1.75 -0.10 -1.69 119.30 118.33 1ekj s MET 156 Ca 0.27 -0.34 0.07 0.00 -1.25 0.00 0.00 55.69 54.44 1ekj s MET 156 Cb -0.09 -1.40 -0.02 0.00 2.84 0.00 0.00 34.83 36.16 1ekj s MET 156 CO 0.18 -0.06 -0.25 0.08 -0.65 0.00 0.00 175.02 174.33 1ekj s VAL 157 N 0.95 2.00 -0.30 10.11 1.01 -0.08 -1.25 120.40 132.85 1ekj s VAL 157 Ca -0.09 -1.07 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1ekj s VAL 157 Cb -0.15 -1.67 0.05 0.00 0.00 0.00 0.00 36.38 34.61 1ekj s VAL 157 CO 0.00 0.56 0.00 -0.36 0.00 0.00 0.00 175.10 175.31 1ekj s PHE 158 N -0.47 3.25 0.11 5.22 0.40 0.13 -0.71 117.98 125.91 1ekj s PHE 158 Ca 0.06 -1.80 0.03 0.00 -0.60 0.00 0.00 56.93 54.63 1ekj s PHE 158 Cb -0.11 -2.12 -0.04 0.00 0.51 0.00 0.00 43.02 41.26 1ekj s PHE 158 CO 0.00 -0.79 -0.09 0.00 0.70 0.00 0.00 175.22 175.05 1ekj s ALA 159 N 1.27 1.17 0.58 5.36 0.00 -0.99 0.15 121.76 129.31 1ekj s ALA 159 Ca -0.04 -1.33 -0.17 0.00 0.00 0.00 0.00 51.96 50.41 1ekj s ALA 159 Cb -0.19 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 22.96 1ekj s ALA 159 CO -0.01 -0.12 1.10 0.00 0.00 0.00 0.00 175.76 176.73 1ekj n SER 161 N -1.75 0.47 -4.51 0.00 7.64 0.24 -4.69 113.62 111.02 1ekj n SER 161 Ca 0.11 0.61 -0.59 0.00 1.01 0.00 0.00 58.87 60.01 1ekj n SER 161 Cb 0.52 -0.71 -0.08 0.00 -1.01 0.00 0.00 64.21 62.92 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 -2.01 0.09 0.15 6.43 -0.08 -1.26 -4.80 116.55 115.06 1ekj n ASP 162 Ca 0.03 1.16 0.12 0.00 -1.51 0.00 0.00 54.79 54.59 1ekj n ASP 162 Cb 0.21 -0.93 0.53 0.00 2.34 0.00 0.00 41.12 43.27 1ekj n ASP 162 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1ekj h SER 163 N 3.10 0.00 0.04 1.67 4.64 -2.04 -2.95 113.55 118.01 1ekj h SER 163 Ca -0.51 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.81 1ekj h SER 163 Cb 1.42 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.51 1ekj h SER 163 CO 0.66 0.00 -0.02 0.54 -0.87 0.00 0.00 176.83 177.14 1ekj n ARG 164 N -2.31 1.29 -1.42 4.77 1.74 -1.26 -4.30 116.66 115.17 1ekj n ARG 164 Ca 0.01 -0.53 0.02 0.00 -0.77 0.00 0.00 57.85 56.59 1ekj n ARG 164 Cb 0.20 -1.49 0.08 0.00 -1.02 0.00 0.00 32.46 30.24 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 1.06 -1.64 1.55 0.24 -1.11 -5.04 118.33 113.00 1ekj n VAL 165 Ca 0.20 -2.21 -0.53 0.00 -2.04 0.00 0.00 64.34 59.77 1ekj n VAL 165 Cb 0.26 0.47 -0.06 0.00 -1.47 0.00 0.00 33.84 33.04 1ekj n VAL 165 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ekj h PRO 167 N 9.22 0.58 0.00 0.00 0.13 -1.96 0.83 132.00 140.80 1ekj h PRO 167 Ca -0.43 -0.04 -0.02 0.00 -0.87 0.00 0.00 66.00 64.65 1ekj h PRO 167 Cb 1.30 -0.13 -0.00 0.00 0.13 0.00 0.00 31.00 32.30 1ekj h PRO 167 CO 0.97 0.39 -0.10 0.77 -0.23 0.00 0.00 178.00 179.80 1ekj h SER 168 N 0.60 0.00 0.04 1.44 0.02 -1.88 -0.50 113.55 113.27 1ekj h SER 168 Ca 0.47 0.00 -0.22 0.00 -0.84 0.00 0.00 61.79 61.20 1ekj h SER 168 Cb 0.89 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.41 1ekj h SER 168 CO -0.22 0.10 -1.20 0.45 -1.14 0.00 0.00 176.83 174.82 1ekj h HIS 169 N 0.00 0.14 -0.22 3.45 3.86 -1.21 -2.37 115.15 118.80 1ekj h HIS 169 Ca -0.00 -0.10 -0.12 0.00 -1.16 0.00 0.00 60.37 58.99 1ekj h HIS 169 Cb 0.32 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 28.77 1ekj h HIS 169 CO 0.00 1.47 -0.36 0.28 0.86 0.00 0.00 177.93 180.18 1ekj h VAL 170 N -0.75 1.29 -0.17 2.45 2.07 -1.21 -3.21 116.25 116.72 1ekj h VAL 170 Ca -0.30 -1.48 0.00 0.00 0.82 0.00 0.00 66.70 65.74 1ekj h VAL 170 Cb 1.43 1.52 0.00 0.00 -1.52 0.00 0.00 31.29 32.72 1ekj h VAL 170 CO -0.10 0.46 0.00 0.18 0.02 0.00 0.00 177.57 178.14 1ekj n LEU 171 N -4.05 3.05 -4.15 2.57 4.77 -0.20 -4.99 117.00 113.99 1ekj n LEU 171 Ca -0.01 -2.71 -0.31 0.00 -0.03 0.00 0.00 56.01 52.95 1ekj n LEU 171 Cb 0.48 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 1ekj n LEU 171 CO 0.44 0.67 -0.19 -0.67 -1.33 0.00 0.00 177.39 176.31 1ekj n ASP 172 N -0.56 -1.36 -4.79 -1.43 4.64 -1.11 -4.92 116.55 107.02 1ekj n ASP 172 Ca 0.15 -1.07 -0.35 0.00 -1.38 0.00 0.00 54.79 52.15 1ekj n ASP 172 Cb 0.65 -2.63 -0.02 0.00 -1.04 0.00 0.00 41.12 38.08 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 -3.73 2.90 0.04 -0.67 0.40 -0.91 -5.01 117.98 111.00 1ekj s PHE 173 Ca 0.34 1.57 0.03 0.00 -0.60 0.00 0.00 56.93 58.27 1ekj s PHE 173 Cb -0.19 -3.16 -0.04 0.00 0.51 0.00 0.00 43.02 40.14 1ekj s PHE 173 CO 0.93 -1.11 -0.02 -0.65 0.70 0.00 0.00 175.22 175.07 1ekj s GLN 174 N -3.17 2.61 -0.12 0.44 -1.52 -1.26 -4.84 119.66 111.80 1ekj s GLN 174 Ca 0.68 -0.74 -0.37 0.00 -1.95 0.00 0.00 55.36 52.98 1ekj s GLN 174 Cb -0.20 -2.56 -0.15 0.00 -0.22 0.00 0.00 33.01 29.88 1ekj s GLN 174 CO 0.24 0.58 1.70 -0.35 -0.25 0.00 0.00 175.29 177.20 1ekj n PRO 175 N 1.10 1.54 0.00 2.91 -0.04 -1.26 -1.13 135.00 138.12 1ekj n PRO 175 Ca -0.13 0.56 0.00 0.00 -0.04 0.00 0.00 63.50 63.89 1ekj n PRO 175 Cb 0.52 -2.29 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 3.89 1.29 0.11 0.55 0.00 -1.26 -4.98 105.19 104.79 1ekj n GLY 176 Ca 0.23 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 46.05 1ekj n GLY 176 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1ekj h GLU 177 N 1.49 0.15 -5.27 1.61 5.08 -1.49 -3.27 114.58 112.87 1ekj h GLU 177 Ca 0.00 -0.25 -0.49 0.00 -1.00 0.00 0.00 59.36 57.62 1ekj h GLU 177 Cb 0.00 0.09 -0.29 0.00 0.50 0.00 0.00 28.75 29.05 1ekj h GLU 177 CO 0.00 1.12 -0.81 0.00 -1.00 0.00 0.00 179.01 178.32 1ekj s ALA 178 N -2.40 1.20 -0.43 3.43 0.00 -1.26 -2.75 121.76 119.55 1ekj s ALA 178 Ca -0.21 -0.61 -0.21 0.00 0.00 0.00 0.00 51.96 50.93 1ekj s ALA 178 Cb 0.03 -0.32 0.02 0.00 0.00 0.00 0.00 23.12 22.85 1ekj s ALA 178 CO 0.72 0.28 0.69 0.12 0.00 0.00 0.00 175.76 177.57 1ekj s PHE 179 N -0.28 3.05 -0.16 0.00 5.36 -0.68 -4.95 117.98 120.32 1ekj s PHE 179 Ca 0.04 0.07 -0.05 0.00 -0.96 0.00 0.00 56.93 56.04 1ekj s PHE 179 Cb -0.06 -3.43 -0.03 0.00 -0.34 0.00 0.00 43.02 39.16 1ekj s PHE 179 CO -0.00 -0.88 -0.01 0.08 -1.46 0.00 0.00 175.22 172.95 1ekj s VAL 180 N 2.97 4.12 -0.24 3.12 1.01 -1.26 -0.90 120.40 129.20 1ekj s VAL 180 Ca 0.25 -0.28 -0.04 0.00 0.00 0.00 0.00 61.98 61.91 1ekj s VAL 180 Cb -0.13 -2.82 0.00 0.00 0.00 0.00 0.00 36.38 33.43 1ekj s VAL 180 CO 0.20 0.49 -0.02 -0.69 0.00 0.00 0.00 175.10 175.08 1ekj s VAL 181 N 0.32 3.42 -0.11 2.92 1.01 0.11 -4.97 120.40 123.11 1ekj s VAL 181 Ca -0.02 -0.64 0.03 0.00 0.00 0.00 0.00 61.98 61.35 1ekj s VAL 181 Cb -0.14 -2.65 0.01 0.00 0.00 0.00 0.00 36.38 33.61 1ekj s VAL 181 CO 0.02 0.29 -0.21 -0.13 0.00 0.00 0.00 175.10 175.08 1ekj s ARG 182 N 1.45 2.75 0.35 2.72 0.52 -1.26 -2.33 118.95 123.15 1ekj s ARG 182 Ca 0.04 -0.77 -0.05 0.00 -0.52 0.00 0.00 55.73 54.43 1ekj s ARG 182 Cb -0.15 -2.16 0.01 0.00 0.52 0.00 0.00 34.95 33.17 1ekj s ARG 182 CO -0.02 0.07 0.53 0.54 0.02 0.00 0.00 175.30 176.45 1ekj s ASN 183 N 0.60 0.73 0.01 0.23 2.20 -1.08 -4.78 114.94 112.85 1ekj s ASN 183 Ca -0.13 -1.41 -0.30 0.00 -0.94 0.00 0.00 52.86 50.07 1ekj s ASN 183 Cb -0.17 0.70 -0.07 0.00 -2.00 0.00 0.00 41.25 39.71 1ekj s ASN 183 CO 0.04 -1.37 1.64 -0.69 -2.94 0.00 0.00 177.10 173.78 1ekj s VAL 184 N -2.94 3.32 -1.89 3.54 1.01 -1.26 -0.59 120.40 121.59 1ekj s VAL 184 Ca 0.27 0.62 0.00 0.00 0.00 0.00 0.00 61.98 62.87 1ekj s VAL 184 Cb -0.01 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1ekj s VAL 184 CO 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 175.10 175.26 1ekj n ALA 185 N 6.23 -0.41 -4.44 5.51 0.00 -1.26 -3.58 120.51 122.56 1ekj n ALA 185 Ca 0.16 0.25 -0.39 0.00 0.00 0.00 0.00 53.44 53.46 1ekj n ALA 185 Cb 0.42 -2.00 -0.08 0.00 0.00 0.00 0.00 19.45 17.79 1ekj n ALA 185 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1ekj n ASN 186 N -1.36 -1.40 -4.81 0.00 0.23 -1.10 -4.83 115.26 101.99 1ekj n ASN 186 Ca -0.21 -1.22 -0.36 0.00 -0.53 0.00 0.00 54.58 52.27 1ekj n ASN 186 Cb 0.65 -1.80 -0.06 0.00 -2.08 0.00 0.00 39.78 36.49 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 -7.27 4.27 -0.32 -4.53 1.43 -1.24 -4.78 118.68 106.24 1ekj s LEU 187 Ca 0.62 1.51 0.04 0.00 -1.03 0.00 0.00 54.13 55.27 1ekj s LEU 187 Cb -0.36 -3.82 0.09 0.00 0.03 0.00 0.00 46.19 42.14 1ekj s LEU 187 CO 1.01 -0.05 0.02 -0.69 0.23 0.00 0.00 176.35 176.87 1ekj s VAL 188 N -1.65 2.20 0.79 -1.59 1.01 -1.26 -4.98 120.40 114.91 1ekj s VAL 188 Ca 0.47 -2.18 -0.11 0.00 0.00 0.00 0.00 61.98 60.17 1ekj s VAL 188 Cb -0.16 -2.57 0.06 0.00 0.00 0.00 0.00 36.38 33.72 1ekj s VAL 188 CO 0.21 -0.49 1.08 -2.16 0.00 0.00 0.00 175.10 173.73 1ekj s PRO 189 N 0.97 2.18 0.88 2.72 0.04 -1.26 -4.61 135.00 135.91 1ekj s PRO 189 Ca 0.07 0.92 -0.12 0.00 0.04 0.00 0.00 61.00 61.92 1ekj s PRO 189 Cb -0.19 -1.91 0.12 0.00 0.04 0.00 0.00 34.50 32.56 1ekj s PRO 189 CO -0.08 -1.63 1.10 -1.25 0.04 0.00 0.00 177.00 175.18 1ekj s PRO 190 N -5.00 1.40 -0.22 0.56 0.04 -1.26 -4.77 135.00 125.75 1ekj s PRO 190 Ca 0.61 0.69 -0.35 0.00 0.04 0.00 0.00 61.00 61.99 1ekj s PRO 190 Cb -0.16 -1.84 -0.12 0.00 0.04 0.00 0.00 34.50 32.43 1ekj s PRO 190 CO 0.56 -2.11 2.00 0.98 0.04 0.00 0.00 177.00 178.46 1ekj n TYR 191 N -3.77 2.01 -3.21 0.56 9.36 -1.26 -4.89 117.16 115.97 1ekj n TYR 191 Ca 0.07 0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.45 1ekj n TYR 191 Cb 0.56 -2.59 -0.03 0.00 -0.63 0.00 0.00 39.34 36.65 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 5.49 -0.93 0.48 2.98 -1.08 -1.26 -5.03 116.67 117.33 1ekj s ASP 192 Ca 1.00 0.48 0.27 0.00 -0.52 0.00 0.00 52.55 53.78 1ekj s ASP 192 Cb -0.78 1.82 1.15 0.00 -1.46 0.00 0.00 42.92 43.66 1ekj s ASP 192 CO 0.52 -0.29 1.92 1.56 0.52 0.00 0.00 175.17 179.40 1ekj h GLN 193 N 8.05 0.00 0.13 4.34 4.20 -1.92 0.11 115.11 130.03 1ekj h GLN 193 Ca -0.16 0.00 -0.24 0.00 0.06 0.00 0.00 58.65 58.31 1ekj h GLN 193 Cb 1.16 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.95 1ekj h GLN 193 CO 0.24 0.16 -1.15 0.00 -0.67 0.00 0.00 178.83 177.40 1ekj h ALA 194 N 1.84 0.05 0.00 3.87 0.00 -2.01 -3.39 119.26 119.62 1ekj h ALA 194 Ca -0.00 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 54.00 1ekj h ALA 194 Cb 0.60 0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.69 1ekj h ALA 194 CO 0.02 0.62 -1.87 1.63 0.00 0.00 0.00 179.25 179.66 1ekj n LYS 195 N -4.01 0.58 -2.58 0.00 5.02 -1.23 -4.77 118.16 111.18 1ekj n LYS 195 Ca -0.20 -0.17 -0.13 0.00 -2.02 0.00 0.00 58.31 55.79 1ekj n LYS 195 Cb 0.87 -1.45 0.03 0.00 -0.02 0.00 0.00 35.03 34.46 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 -2.16 1.90 0.08 2.13 0.53 0.02 -4.87 117.16 114.80 1ekj n TYR 196 Ca -0.03 -2.65 0.01 0.00 -1.02 0.00 0.00 57.90 54.21 1ekj n TYR 196 Cb 0.50 -0.27 0.34 0.00 -1.03 0.00 0.00 39.34 38.87 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 2.71 1.41 0.36 -0.72 0.00 -1.75 -2.27 119.26 119.00 1ekj h ALA 197 Ca 0.04 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 1ekj h ALA 197 Cb 1.19 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 1ekj h ALA 197 CO 0.54 0.41 -0.49 0.78 0.00 0.00 0.00 179.25 180.49 1ekj h GLY 198 N 0.82 -1.16 0.54 0.00 0.00 -1.93 0.13 103.07 101.48 1ekj h GLY 198 Ca 0.06 0.58 -0.02 0.00 0.00 0.00 0.00 47.33 47.95 1ekj h GLY 198 CO 0.02 -0.33 -0.38 -0.84 0.00 0.00 0.00 176.54 175.01 1ekj h THR 199 N -0.89 0.00 -1.10 4.70 2.02 -1.95 -2.77 112.91 112.92 1ekj h THR 199 Ca -0.04 0.00 0.30 0.00 0.77 0.00 0.00 66.41 67.45 1ekj h THR 199 Cb 0.81 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 67.14 1ekj h THR 199 CO -0.14 0.00 0.73 1.23 0.37 0.00 0.00 175.52 177.72 1ekj h GLY 200 N -0.88 0.90 0.87 2.16 0.00 -1.34 -0.16 103.07 104.63 1ekj h GLY 200 Ca -0.07 -0.14 -0.08 0.00 0.00 0.00 0.00 47.33 47.04 1ekj h GLY 200 CO 0.04 -0.13 -0.14 0.00 0.00 0.00 0.00 176.54 176.31 1ekj h ALA 201 N 1.56 0.36 -0.20 3.60 0.00 -0.55 -0.48 119.26 123.56 1ekj h ALA 201 Ca 0.61 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 1ekj h ALA 201 Cb 1.81 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.51 1ekj h ALA 201 CO -0.23 0.25 0.06 0.00 0.00 0.00 0.00 179.25 179.32 1ekj h ALA 202 N 0.72 0.26 -0.13 0.00 0.00 -0.80 0.16 119.26 119.46 1ekj h ALA 202 Ca 0.05 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.83 1ekj h ALA 202 Cb 0.66 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1ekj h ALA 202 CO 0.04 -0.12 0.09 0.82 0.00 0.00 0.00 179.25 180.08 1ekj h ILE 203 N 0.14 1.05 -0.06 0.00 2.04 -1.23 0.16 117.51 119.61 1ekj h ILE 203 Ca 0.06 -0.11 -0.04 0.00 1.00 0.00 0.00 64.86 65.78 1ekj h ILE 203 Cb 0.23 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.19 1ekj h ILE 203 CO -0.00 0.05 -0.13 -0.08 0.00 0.00 0.00 178.15 177.98 1ekj h GLU 204 N 0.17 0.09 0.03 2.37 4.81 -1.00 -0.42 114.58 120.62 1ekj h GLU 204 Ca 0.05 -0.02 -0.00 0.00 -0.13 0.00 0.00 59.36 59.26 1ekj h GLU 204 Cb 0.00 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.37 1ekj h GLU 204 CO -0.01 0.23 -0.01 -0.92 -0.73 0.00 0.00 179.01 177.56 1ekj h TYR 205 N 0.09 -0.03 -0.18 0.92 3.20 -0.36 -2.25 116.97 118.36 1ekj h TYR 205 Ca 0.02 -0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.91 1ekj h TYR 205 Cb 0.29 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.55 1ekj h TYR 205 CO 0.00 0.68 0.06 0.00 -1.64 0.00 0.00 178.16 177.26 1ekj h ALA 206 N -0.03 0.20 0.60 1.82 0.00 -0.60 0.80 119.26 122.05 1ekj h ALA 206 Ca -0.00 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1ekj h ALA 206 Cb 0.73 0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.53 1ekj h ALA 206 CO 0.01 -0.37 -0.29 0.28 0.00 0.00 0.00 179.25 178.88 1ekj h VAL 207 N 0.15 0.00 0.00 0.00 2.07 -1.20 -0.85 116.25 116.41 1ekj h VAL 207 Ca 0.08 -0.34 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1ekj h VAL 207 Cb 0.05 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.82 1ekj h VAL 207 CO -0.08 0.00 -0.23 0.18 0.02 0.00 0.00 177.57 177.46 1ekj n LEU 208 N -5.11 0.41 -0.01 2.57 4.77 -0.84 -3.31 117.00 115.47 1ekj n LEU 208 Ca -0.10 0.35 -0.02 0.00 -0.03 0.00 0.00 56.01 56.21 1ekj n LEU 208 Cb 0.32 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.05 1ekj n LEU 208 CO 0.24 -0.02 -0.52 1.41 -1.33 0.00 0.00 177.39 177.18 1ekj n HIS 209 N -1.76 0.00 0.51 -1.77 8.25 0.16 -4.69 115.22 115.92 1ekj n HIS 209 Ca 0.06 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.65 1ekj n HIS 209 Cb 0.37 -0.08 0.37 0.00 1.12 0.00 0.00 29.99 31.78 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 -0.08 0.00 2.07 2.41 3.38 -1.22 -3.48 115.31 118.38 1ekj h LEU 210 Ca -0.05 0.00 -0.37 0.00 0.09 0.00 0.00 57.88 57.55 1ekj h LEU 210 Cb 0.93 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.69 1ekj h LEU 210 CO -0.03 0.00 -0.50 0.29 0.09 0.00 0.00 178.44 178.29 1ekj n LYS 211 N -2.46 -2.45 -0.85 1.13 4.76 -0.40 -4.60 118.16 113.28 1ekj n LYS 211 Ca 0.05 0.88 -0.34 0.00 -2.87 0.00 0.00 58.31 56.03 1ekj n LYS 211 Cb 0.43 -5.46 0.10 0.00 -1.84 0.00 0.00 35.03 28.27 1ekj n LYS 211 CO 0.00 0.00 0.00 1.33 -1.37 0.00 0.00 177.40 177.36 1ekj n VAL 212 N -4.14 0.09 -0.02 -0.18 0.24 -0.74 -4.94 118.33 108.64 1ekj n VAL 212 Ca -0.18 -0.25 0.06 0.00 -2.04 0.00 0.00 64.34 61.93 1ekj n VAL 212 Cb 0.65 -0.52 -0.13 0.00 -1.47 0.00 0.00 33.84 32.37 1ekj n VAL 212 CO 0.00 0.00 0.00 -1.20 -2.14 0.00 0.00 176.83 173.49 1ekj n SER 213 N -0.47 1.22 -4.09 -1.34 7.64 0.13 -4.78 113.62 111.93 1ekj n SER 213 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 1ekj n SER 213 Cb 0.54 1.65 -0.11 0.00 -1.01 0.00 0.00 64.21 65.28 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 -4.02 0.89 -0.14 6.43 0.01 -0.18 -0.33 114.94 117.60 1ekj s ASN 214 Ca -0.06 -0.68 -0.01 0.00 -0.71 0.00 0.00 52.86 51.40 1ekj s ASN 214 Cb 0.10 0.06 0.04 0.00 0.41 0.00 0.00 41.25 41.86 1ekj s ASN 214 CO 0.68 -0.29 -0.01 -0.63 -1.51 0.00 0.00 177.10 175.34 1ekj s ILE 215 N -2.03 0.70 -0.11 0.60 1.01 -0.54 -0.93 121.20 119.90 1ekj s ILE 215 Ca -0.04 -0.37 0.03 0.00 0.00 0.00 0.00 60.65 60.26 1ekj s ILE 215 Cb -0.06 -0.97 -0.00 0.00 0.01 0.00 0.00 42.46 41.44 1ekj s ILE 215 CO -0.01 0.07 -0.20 -0.69 0.00 0.00 0.00 174.94 174.10 1ekj s VAL 216 N 1.81 2.38 -0.35 2.92 1.01 -0.38 -1.31 120.40 126.49 1ekj s VAL 216 Ca 0.02 -0.90 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 1ekj s VAL 216 Cb -0.15 -1.95 0.01 0.00 0.00 0.00 0.00 36.38 34.29 1ekj s VAL 216 CO -0.07 0.55 0.20 -0.69 0.00 0.00 0.00 175.10 175.08 1ekj s VAL 217 N 0.37 4.72 -0.35 2.92 1.01 -0.05 -0.69 120.40 128.34 1ekj s VAL 217 Ca -0.16 -0.60 -0.09 0.00 0.00 0.00 0.00 61.98 61.13 1ekj s VAL 217 Cb -0.17 -3.52 0.03 0.00 0.00 0.00 0.00 36.38 32.71 1ekj s VAL 217 CO 0.07 -0.10 0.16 -0.63 0.00 0.00 0.00 175.10 174.61 1ekj s ILE 218 N 1.61 4.31 0.75 2.22 1.01 0.12 -0.38 121.20 130.84 1ekj s ILE 218 Ca 0.04 -0.89 -0.07 0.00 0.00 0.00 0.00 60.65 59.74 1ekj s ILE 218 Cb -0.18 -3.39 0.10 0.00 0.01 0.00 0.00 42.46 39.00 1ekj s ILE 218 CO 0.07 -0.17 1.05 -0.83 0.00 0.00 0.00 174.94 175.06 1ekj s GLY 219 N 1.51 1.73 0.04 6.18 0.00 -0.21 -4.14 107.32 112.43 1ekj s GLY 219 Ca 0.01 -1.19 -0.22 0.00 0.00 0.00 0.00 44.72 43.32 1ekj s GLY 219 CO 0.05 -0.68 0.51 -2.38 0.00 0.00 0.00 173.10 170.60 1ekj s HIS 220 N -3.31 -0.42 0.62 1.90 -0.00 -1.26 -1.45 115.29 111.37 1ekj s HIS 220 Ca 0.64 0.48 -0.18 0.00 -0.00 0.00 0.00 55.06 55.99 1ekj s HIS 220 Cb -0.08 0.33 -0.02 0.00 -0.00 0.00 0.00 32.58 32.81 1ekj s HIS 220 CO 0.46 -0.63 1.21 -1.54 -0.00 0.00 0.00 174.74 174.24 1ekj s SER 221 N -1.93 5.02 -1.33 7.38 1.04 -0.19 -3.53 113.70 120.15 1ekj s SER 221 Ca -0.06 2.38 -0.05 0.00 0.48 0.00 0.00 55.95 58.71 1ekj s SER 221 Cb -0.01 -2.60 0.02 0.00 0.10 0.00 0.00 66.02 63.54 1ekj s SER 221 CO -0.01 -1.71 0.93 0.00 0.98 0.00 0.00 173.24 173.43 1ekj n ALA 222 N -1.80 -1.74 -2.67 5.32 0.00 -1.26 -4.83 120.51 113.54 1ekj n ALA 222 Ca 0.14 0.04 -0.43 0.00 0.00 0.00 0.00 53.44 53.19 1ekj n ALA 222 Cb 0.50 -3.26 -0.03 0.00 0.00 0.00 0.00 19.45 16.66 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 8.82 1.26 0.94 0.00 0.00 -1.93 -1.47 103.07 110.69 1ekj h GLY 224 Ca -0.24 -0.74 0.02 0.00 0.00 0.00 0.00 47.33 46.36 1ekj h GLY 224 CO 0.91 0.70 0.44 -1.33 0.00 0.00 0.00 176.54 177.26 1ekj h GLY 225 N 1.12 0.97 1.86 4.60 0.00 -1.94 -1.84 103.07 107.84 1ekj h GLY 225 Ca 0.24 -0.34 -0.14 0.00 0.00 0.00 0.00 47.33 47.09 1ekj h GLY 225 CO -0.01 0.31 -0.60 -2.22 0.00 0.00 0.00 176.54 174.03 1ekj h ILE 226 N 0.89 1.40 -0.57 2.60 1.08 -1.88 -2.38 117.51 118.65 1ekj h ILE 226 Ca 0.26 -1.99 -0.02 0.00 -0.39 0.00 0.00 64.86 62.72 1ekj h ILE 226 Cb -0.05 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 35.71 1ekj h ILE 226 CO -0.08 0.58 0.29 0.50 -0.69 0.00 0.00 178.15 178.75 1ekj h LYS 227 N 0.11 0.82 0.88 2.37 3.64 -0.84 -1.49 116.57 122.05 1ekj h LYS 227 Ca -0.01 -0.11 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 1ekj h LYS 227 Cb 1.08 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 32.76 1ekj h LYS 227 CO 0.09 0.65 -0.42 0.78 -2.27 0.00 0.00 179.45 178.28 1ekj h GLY 228 N 0.78 -1.23 -1.01 5.01 0.00 -1.20 -1.15 103.07 104.27 1ekj h GLY 228 Ca 0.20 0.46 0.42 0.00 0.00 0.00 0.00 47.33 48.40 1ekj h GLY 228 CO -0.03 -0.45 0.55 -0.10 0.00 0.00 0.00 176.54 176.51 1ekj n LEU 229 N -5.58 0.34 -0.04 3.11 7.94 -0.91 -0.40 117.00 121.47 1ekj n LEU 229 Ca -0.15 1.65 -0.15 0.00 -1.11 0.00 0.00 56.01 56.24 1ekj n LEU 229 Cb 0.47 -0.80 -0.08 0.00 0.53 0.00 0.00 43.42 43.53 1ekj n LEU 229 CO 0.38 -1.84 0.45 -0.07 -1.11 0.00 0.00 177.39 175.19 1ekj h LEU 230 N 0.00 0.48 -0.02 -1.96 3.38 -0.67 -3.35 115.31 113.16 1ekj h LEU 230 Ca 0.85 -0.61 -0.02 0.00 0.09 0.00 0.00 57.88 58.19 1ekj h LEU 230 Cb 2.25 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 42.87 1ekj h LEU 230 CO -0.76 1.01 -0.05 0.77 0.09 0.00 0.00 178.44 179.50 1ekj h SER 231 N -0.03 0.08 -2.64 -0.43 4.64 0.51 -3.45 113.55 112.24 1ekj h SER 231 Ca -0.01 -0.58 -0.60 0.00 -0.47 0.00 0.00 61.79 60.13 1ekj h SER 231 Cb 0.97 -0.02 0.11 0.00 -0.31 0.00 0.00 62.40 63.15 1ekj h SER 231 CO 0.07 0.65 0.25 0.49 -0.87 0.00 0.00 176.83 177.42 1ekj n PHE 232 N -4.74 1.55 0.12 4.77 0.99 -0.06 -4.91 117.46 115.18 1ekj n PHE 232 Ca -0.08 0.65 0.02 0.00 -0.00 0.00 0.00 57.45 58.04 1ekj n PHE 232 Cb 0.32 -2.30 0.00 0.00 -1.00 0.00 0.00 39.48 36.51 1ekj n PHE 232 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 1ekj h PRO 233 N 2.34 0.00 -6.59 -1.08 0.13 -1.89 -3.48 132.00 121.43 1ekj h PRO 233 Ca -0.42 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.20 1ekj h PRO 233 Cb 1.32 0.00 -0.06 0.00 0.13 0.00 0.00 31.00 32.39 1ekj h PRO 233 CO 0.62 0.45 -0.91 1.19 -0.23 0.00 0.00 178.00 179.12 1ekj n PHE 234 N -3.15 -1.60 -0.46 1.56 3.01 -1.26 -4.85 117.46 110.71 1ekj n PHE 234 Ca -0.00 0.65 0.06 0.00 1.01 0.00 0.00 57.45 59.17 1ekj n PHE 234 Cb 0.75 -3.50 0.15 0.00 -0.01 0.00 0.00 39.48 36.87 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 -2.89 2.94 0.00 4.37 5.75 -1.26 -4.94 116.55 120.51 1ekj n ASP 235 Ca -0.28 -2.40 0.00 0.00 -0.01 0.00 0.00 54.79 52.10 1ekj n ASP 235 Cb 0.67 -0.29 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 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 -0.18 2.29 3.74 6.12 0.00 -1.26 -5.08 105.19 110.82 1ekj n GLY 236 Ca 0.12 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.30 4.89 -0.02 2.61 -4.23 -1.26 -5.10 115.64 110.22 1ekj s THR 237 Ca 0.00 -0.02 0.06 0.00 -1.18 0.00 0.00 61.69 60.55 1ekj s THR 237 Cb 0.00 -3.12 -0.01 0.00 1.34 0.00 0.00 72.50 70.71 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 -0.62 1.86 -0.21 3.99 1.51 -1.26 -4.64 117.35 117.98 1ekj s TYR 238 Ca 0.11 -0.39 0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1ekj s TYR 238 Cb -0.12 -1.21 0.21 0.00 -0.11 0.00 0.00 41.96 40.73 1ekj s TYR 238 CO 0.02 -0.06 1.14 -1.13 -1.11 0.00 0.00 175.55 174.41 1ekj n SER 239 N 2.69 2.50 -4.15 2.29 3.41 -1.26 -5.02 113.62 114.08 1ekj n SER 239 Ca -0.16 -2.47 -0.10 0.00 -0.26 0.00 0.00 58.87 55.88 1ekj n SER 239 Cb 0.53 -0.24 -0.10 0.00 -0.26 0.00 0.00 64.21 64.14 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 -1.83 0.45 -0.11 6.66 -4.23 -1.26 -5.08 115.64 110.24 1ekj s THR 240 Ca 0.19 -1.90 -0.27 0.00 -1.18 0.00 0.00 61.69 58.53 1ekj s THR 240 Cb 0.15 -1.75 -0.27 0.00 1.34 0.00 0.00 72.50 71.97 1ekj s THR 240 CO 0.05 -0.79 0.81 0.44 -0.54 0.00 0.00 174.62 174.58 1ekj h ASP 241 N 2.97 0.13 0.00 3.99 5.19 -2.04 -3.45 116.42 123.22 1ekj h ASP 241 Ca -0.35 -0.98 0.00 0.00 -0.62 0.00 0.00 57.03 55.08 1ekj h ASP 241 Cb 1.17 -0.04 0.00 0.00 0.18 0.00 0.00 39.33 40.63 1ekj h ASP 241 CO 0.64 1.11 -0.93 0.49 -3.12 0.00 0.00 179.24 177.43 1ekj n PHE 242 N -4.47 0.00 -0.32 4.55 3.01 -1.26 -4.82 117.46 114.15 1ekj n PHE 242 Ca -0.11 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.38 1ekj n PHE 242 Cb 0.58 0.00 0.11 0.00 -0.01 0.00 0.00 39.48 40.15 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 0.09 -0.25 4.37 2.04 -2.00 -0.73 117.51 121.03 1ekj h ILE 243 Ca 0.00 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.69 1ekj h ILE 243 Cb 0.93 0.09 -0.00 0.00 -0.74 0.00 0.00 36.82 37.09 1ekj h ILE 243 CO 0.00 0.00 -0.54 -0.33 0.00 0.00 0.00 178.15 177.28 1ekj h GLU 244 N -0.01 0.74 -0.76 2.37 5.08 -1.90 -2.18 114.58 117.93 1ekj h GLU 244 Ca 0.41 -0.47 0.06 0.00 -1.00 0.00 0.00 59.36 58.37 1ekj h GLU 244 Cb 0.65 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.89 1ekj h GLU 244 CO -0.92 1.09 0.45 1.49 -1.00 0.00 0.00 179.01 180.12 1ekj h GLU 245 N 0.57 0.80 0.49 2.33 4.22 -1.51 -2.23 114.58 119.26 1ekj h GLU 245 Ca 0.01 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.38 1ekj h GLU 245 Cb 1.12 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 30.20 1ekj h GLU 245 CO 0.11 0.53 -0.23 2.35 -2.18 0.00 0.00 179.01 179.59 1ekj h TRP 246 N 0.83 -0.61 0.00 0.92 2.91 -1.11 -3.25 115.95 115.65 1ekj h TRP 246 Ca 0.33 -0.01 0.00 0.00 1.13 0.00 0.00 58.89 60.34 1ekj h TRP 246 Cb 0.17 0.20 0.00 0.00 -0.51 0.00 0.00 29.16 29.02 1ekj h TRP 246 CO -0.05 -0.38 0.00 1.33 -1.03 0.00 0.00 178.44 178.31 1ekj n VAL 247 N -4.87 0.00 0.26 2.65 0.24 -0.83 -2.16 118.33 113.63 1ekj n VAL 247 Ca -0.08 0.00 0.15 0.00 -2.04 0.00 0.00 64.34 62.37 1ekj n VAL 247 Cb 0.26 -0.70 0.62 0.00 -1.47 0.00 0.00 33.84 32.54 1ekj n VAL 247 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 1ekj h LYS 248 N 0.00 0.00 -1.01 7.34 2.10 -1.43 -2.39 116.57 121.19 1ekj h LYS 248 Ca 0.00 0.00 0.23 0.00 -2.00 0.00 0.00 60.65 58.88 1ekj h LYS 248 Cb 0.00 0.00 -0.10 0.00 -0.90 0.00 0.00 32.23 31.23 1ekj h LYS 248 CO 0.00 0.06 0.63 0.82 -2.00 0.00 0.00 179.45 178.96 1ekj h ILE 249 N 0.00 0.60 -0.04 0.07 2.04 -1.65 0.29 117.51 118.82 1ekj h ILE 249 Ca -0.00 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1ekj h ILE 249 Cb 0.58 -0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 1ekj h ILE 249 CO 0.01 0.10 0.00 0.61 0.00 0.00 0.00 178.15 178.87 1ekj n GLY 250 N -1.39 -0.73 0.36 5.37 0.00 -0.90 -4.34 105.19 103.57 1ekj n GLY 250 Ca 0.25 -0.14 0.08 0.00 0.00 0.00 0.00 46.02 46.21 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 0.42 0.89 -1.68 0.99 3.38 -1.09 -1.45 115.31 116.76 1ekj h LEU 251 Ca 0.00 0.05 0.06 0.00 0.09 0.00 0.00 57.88 58.08 1ekj h LEU 251 Cb 0.09 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1ekj h LEU 251 CO 0.00 0.46 0.31 1.55 0.09 0.00 0.00 178.44 180.85 1ekj h PRO 252 N 0.94 0.38 -0.19 1.13 0.13 -1.83 0.24 132.00 132.81 1ekj h PRO 252 Ca 0.50 -0.02 -0.14 0.00 -0.87 0.00 0.00 66.00 65.46 1ekj h PRO 252 Cb 0.54 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.59 1ekj h PRO 252 CO -0.27 0.25 -0.43 0.00 -0.23 0.00 0.00 178.00 177.32 1ekj h ALA 253 N 1.75 0.31 -0.45 -0.56 0.00 -1.58 -1.84 119.26 116.88 1ekj h ALA 253 Ca 0.20 -0.47 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 1ekj h ALA 253 Cb 0.30 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1ekj h ALA 253 CO -0.05 0.44 0.17 -0.22 0.00 0.00 0.00 179.25 179.59 1ekj h LYS 254 N 0.32 0.68 -0.23 0.00 3.64 -0.73 -1.87 116.57 118.38 1ekj h LYS 254 Ca 0.00 -0.13 0.03 0.00 -1.27 0.00 0.00 60.65 59.28 1ekj h LYS 254 Cb 1.04 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.72 1ekj h LYS 254 CO 0.10 0.63 0.05 0.00 -2.27 0.00 0.00 179.45 177.96 1ekj h ALA 255 N 1.02 0.24 0.36 5.00 0.00 -0.51 -1.85 119.26 123.52 1ekj h ALA 255 Ca 0.15 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 1ekj h ALA 255 Cb 0.21 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1ekj h ALA 255 CO -0.01 -0.37 -0.18 -0.22 0.00 0.00 0.00 179.25 178.47 1ekj h LYS 256 N 0.14 -0.47 -0.84 0.00 3.64 -1.16 -2.59 116.57 115.28 1ekj h LYS 256 Ca 0.11 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.52 1ekj h LYS 256 Cb 0.10 0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 31.99 1ekj h LYS 256 CO -0.13 -0.32 0.52 -0.24 -2.27 0.00 0.00 179.45 177.01 1ekj h VAL 257 N -0.49 1.23 0.00 2.00 3.04 -1.28 -0.71 116.25 120.03 1ekj h VAL 257 Ca -0.05 -0.47 0.00 0.00 -1.01 0.00 0.00 66.70 65.17 1ekj h VAL 257 Cb 0.38 0.03 0.00 0.00 -2.01 0.00 0.00 31.29 29.68 1ekj h VAL 257 CO 0.08 0.23 0.00 0.11 -1.01 0.00 0.00 177.57 176.98 1ekj h LYS 258 N 1.15 0.00 0.00 4.17 1.57 -1.28 0.33 116.57 122.52 1ekj h LYS 258 Ca 0.30 0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.99 1ekj h LYS 258 Cb -0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 1ekj h LYS 258 CO -0.06 0.00 -1.53 0.00 -0.57 0.00 0.00 179.45 177.29 1ekj n ALA 259 N -1.99 2.29 0.33 3.86 0.00 -0.51 -3.21 120.51 121.28 1ekj n ALA 259 Ca 0.01 -0.52 0.07 0.00 0.00 0.00 0.00 53.44 53.01 1ekj n ALA 259 Cb 0.31 -0.88 -0.10 0.00 0.00 0.00 0.00 19.45 18.78 1ekj n ALA 259 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1ekj n GLN 260 N -2.65 1.29 -2.72 0.00 6.02 -0.39 -4.65 117.38 114.28 1ekj n GLN 260 Ca -0.08 -0.07 -0.00 0.00 -0.01 0.00 0.00 57.00 56.84 1ekj n GLN 260 Cb 0.71 -1.28 0.06 0.00 1.02 0.00 0.00 30.24 30.76 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 -1.70 0.54 -0.35 1.08 8.25 0.11 -4.95 115.22 118.20 1ekj n HIS 261 Ca -0.00 -1.96 -0.00 0.00 -0.26 0.00 0.00 57.72 55.50 1ekj n HIS 261 Cb 0.31 0.13 0.15 0.00 1.12 0.00 0.00 29.99 31.70 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 2.19 1.39 -3.91 -1.41 0.00 -1.61 -2.59 103.07 97.13 1ekj h GLY 262 Ca -0.21 -0.49 -0.58 0.00 0.00 0.00 0.00 47.33 46.05 1ekj h GLY 262 CO 0.10 0.45 0.69 2.09 0.00 0.00 0.00 176.54 179.87 1ekj n ASP 263 N -4.42 5.45 -4.80 0.19 5.68 -1.26 -4.93 116.55 112.46 1ekj n ASP 263 Ca 0.12 -3.70 -0.32 0.00 -0.50 0.00 0.00 54.79 50.39 1ekj n ASP 263 Cb 0.06 -0.88 -0.07 0.00 -1.14 0.00 0.00 41.12 39.10 1ekj n ASP 263 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1ekj s ALA 264 N -3.54 3.63 0.28 2.12 0.00 -0.98 -5.06 121.76 118.22 1ekj s ALA 264 Ca 0.60 -0.89 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 1ekj s ALA 264 Cb 0.49 -1.59 -0.13 0.00 0.00 0.00 0.00 23.12 21.89 1ekj s ALA 264 CO 0.05 0.71 1.38 -0.35 0.00 0.00 0.00 175.76 177.55 1ekj n PRO 265 N 0.99 2.11 -0.29 0.00 -0.04 -1.26 -4.63 135.00 131.88 1ekj n PRO 265 Ca -0.12 0.75 0.11 0.00 -0.04 0.00 0.00 63.50 64.20 1ekj n PRO 265 Cb 0.52 -2.39 0.22 0.00 -0.04 0.00 0.00 33.50 31.81 1ekj n PRO 265 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 1ekj n PHE 266 N 1.38 0.48 -0.31 0.54 7.35 -1.26 0.75 117.46 126.40 1ekj n PHE 266 Ca 0.09 1.02 0.03 0.00 -0.76 0.00 0.00 57.45 57.82 1ekj n PHE 266 Cb 0.33 -1.10 0.17 0.00 0.35 0.00 0.00 39.48 39.23 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 1.68 1.22 -0.02 3.13 0.00 -2.00 -0.45 119.26 122.82 1ekj h ALA 267 Ca 0.49 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.41 1ekj h ALA 267 Cb 0.95 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 1ekj h ALA 267 CO -0.81 0.17 0.01 0.93 0.00 0.00 0.00 179.25 179.54 1ekj h GLU 268 N 0.87 0.03 -0.46 0.00 5.08 -0.00 -2.93 114.58 117.18 1ekj h GLU 268 Ca 0.40 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 58.85 1ekj h GLU 268 Cb 0.32 -0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.48 1ekj h GLU 268 CO -0.23 0.24 -0.12 1.25 -1.00 0.00 0.00 179.01 179.15 1ekj h LEU 269 N -0.18 -0.45 -0.55 1.33 5.85 -0.55 -0.23 115.31 120.53 1ekj h LEU 269 Ca 0.01 0.14 0.06 0.00 0.84 0.00 0.00 57.88 58.93 1ekj h LEU 269 Cb 0.23 0.29 -0.06 0.00 0.37 0.00 0.00 40.66 41.49 1ekj h LEU 269 CO -0.00 -0.16 0.24 0.00 -0.34 0.00 0.00 178.44 178.18 1ekj h THR 271 N 0.46 1.18 -0.67 0.00 2.02 -1.10 0.17 112.91 114.97 1ekj h THR 271 Ca 0.26 -0.55 0.02 0.00 0.77 0.00 0.00 66.41 66.91 1ekj h THR 271 Cb 0.23 0.93 -0.04 0.00 -1.74 0.00 0.00 68.15 67.53 1ekj h THR 271 CO -0.22 0.19 0.42 0.45 0.37 0.00 0.00 175.52 176.74 1ekj h HIS 272 N 0.39 0.79 -0.43 3.16 -0.00 -0.55 -1.52 115.15 116.99 1ekj h HIS 272 Ca 0.11 0.02 -0.12 0.00 -0.00 0.00 0.00 60.37 60.38 1ekj h HIS 272 Cb 0.18 -0.26 -0.01 0.00 -0.00 0.00 0.00 27.41 27.31 1ekj h HIS 272 CO -0.01 0.47 -0.20 0.00 -0.00 0.00 0.00 177.93 178.19 1ekj h GLU 274 N 0.75 0.42 -0.26 0.00 5.08 -0.36 0.29 114.58 120.49 1ekj h GLU 274 Ca 0.11 -0.09 -0.10 0.00 -1.00 0.00 0.00 59.36 58.28 1ekj h GLU 274 Cb 0.73 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 1ekj h GLU 274 CO 0.06 0.47 -0.23 0.87 -1.00 0.00 0.00 179.01 179.18 1ekj h LYS 275 N 0.28 0.62 0.00 2.33 1.57 -1.15 -2.69 116.57 117.54 1ekj h LYS 275 Ca 0.09 -0.32 -0.03 0.00 -1.87 0.00 0.00 60.65 58.53 1ekj h LYS 275 Cb 0.22 0.01 -0.00 0.00 0.08 0.00 0.00 32.23 32.54 1ekj h LYS 275 CO -0.00 0.91 -0.13 1.49 -0.57 0.00 0.00 179.45 181.14 1ekj h GLU 276 N 0.33 0.00 -0.27 3.15 4.57 -0.36 -1.68 114.58 120.33 1ekj h GLU 276 Ca 0.04 0.00 -0.16 0.00 -1.18 0.00 0.00 59.36 58.07 1ekj h GLU 276 Cb 0.79 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 1ekj h GLU 276 CO 0.06 0.13 -0.47 0.00 -1.18 0.00 0.00 179.01 177.55 1ekj h ALA 277 N 1.87 0.66 -0.54 2.92 0.00 -0.27 -0.53 119.26 123.36 1ekj h ALA 277 Ca -0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1ekj h ALA 277 Cb 0.57 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1ekj h ALA 277 CO 0.02 0.67 0.26 0.28 0.00 0.00 0.00 179.25 180.48 1ekj h VAL 278 N 0.57 1.20 -0.82 0.00 2.07 -0.99 -1.25 116.25 117.03 1ekj h VAL 278 Ca 0.03 -0.57 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1ekj h VAL 278 Cb 1.03 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 31.34 1ekj h VAL 278 CO 0.10 0.23 0.43 0.78 0.02 0.00 0.00 177.57 179.13 1ekj h ASN 279 N 0.73 1.03 -0.53 0.57 2.35 -0.94 0.04 115.58 118.83 1ekj h ASN 279 Ca 0.19 -0.09 -0.01 0.00 -0.55 0.00 0.00 56.30 55.83 1ekj h ASN 279 Cb 0.12 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1ekj h ASN 279 CO -0.02 0.84 0.28 0.00 -1.65 0.00 0.00 177.43 176.87 1ekj h ALA 280 N 1.33 0.68 -0.32 -0.83 0.00 -0.66 -0.92 119.26 118.55 1ekj h ALA 280 Ca 0.29 -0.11 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 1ekj h ALA 280 Cb 0.05 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1ekj h ALA 280 CO -0.04 0.22 0.00 0.77 0.00 0.00 0.00 179.25 180.20 1ekj h SER 281 N 0.71 0.46 -0.43 0.00 0.02 -0.45 0.51 113.55 114.37 1ekj h SER 281 Ca 0.19 -0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.94 1ekj h SER 281 Cb 0.07 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.48 1ekj h SER 281 CO -0.03 0.52 -0.16 -0.07 -1.14 0.00 0.00 176.83 175.95 1ekj h LEU 282 N 0.47 0.93 -0.87 5.07 3.38 -0.34 -0.57 115.31 123.38 1ekj h LEU 282 Ca 0.10 -0.32 -0.09 0.00 0.09 0.00 0.00 57.88 57.67 1ekj h LEU 282 Cb 0.30 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1ekj h LEU 282 CO 0.01 1.07 -0.10 1.23 0.09 0.00 0.00 178.44 180.75 1ekj h GLY 283 N 0.94 0.80 1.78 0.83 0.00 -0.26 -2.44 103.07 104.72 1ekj h GLY 283 Ca 0.12 -0.58 -0.09 0.00 0.00 0.00 0.00 47.33 46.78 1ekj h GLY 283 CO 0.05 0.54 -0.32 3.43 0.00 0.00 0.00 176.54 180.24 1ekj h ASN 284 N 0.67 0.25 0.15 0.19 2.35 -0.52 -1.58 115.58 117.10 1ekj h ASN 284 Ca 0.12 -0.09 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1ekj h ASN 284 Cb 0.56 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 1ekj h ASN 284 CO 0.03 0.57 -0.08 -0.07 -1.65 0.00 0.00 177.43 176.23 1ekj h LEU 285 N 0.22 0.00 0.00 1.61 3.38 -0.62 -1.07 115.31 118.82 1ekj h LEU 285 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ekj h LEU 285 Cb 0.69 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.44 1ekj h LEU 285 CO 0.05 0.08 0.00 0.18 0.09 0.00 0.00 178.44 178.84 1ekj n LEU 286 N -4.01 0.00 -0.73 1.67 4.77 -0.59 -2.67 117.00 115.44 1ekj n LEU 286 Ca -0.03 0.00 0.12 0.00 -0.03 0.00 0.00 56.01 56.08 1ekj n LEU 286 Cb 0.17 0.00 0.22 0.00 -2.33 0.00 0.00 43.42 41.48 1ekj n LEU 286 CO 0.31 0.00 0.65 0.35 -1.33 0.00 0.00 177.39 177.38 1ekj n THR 287 N -0.76 0.00 -3.37 -5.08 -2.24 -0.41 -4.79 114.28 97.63 1ekj n THR 287 Ca 0.12 -0.38 -0.43 0.00 -2.27 0.00 0.00 64.05 61.09 1ekj n THR 287 Cb 0.06 1.13 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 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 -2.09 3.20 0.27 4.78 1.51 -1.09 -4.55 117.35 119.37 1ekj s TYR 288 Ca 0.29 -0.47 -0.04 0.00 -1.01 0.00 0.00 57.07 55.84 1ekj s TYR 288 Cb 0.20 -2.78 0.55 0.00 -0.11 0.00 0.00 41.96 39.82 1ekj s TYR 288 CO 0.36 -0.66 1.60 -1.35 -1.11 0.00 0.00 175.55 174.39 1ekj h PRO 289 N 8.69 0.06 0.00 -1.71 0.11 -1.89 0.12 132.00 137.39 1ekj h PRO 289 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1ekj h PRO 289 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1ekj h PRO 289 CO 0.77 0.04 0.00 1.97 -0.21 0.00 0.00 178.00 180.57 1ekj n PHE 290 N -5.43 0.75 0.01 0.65 1.16 -1.26 -0.57 117.46 112.78 1ekj n PHE 290 Ca 0.17 0.29 -0.21 0.00 -1.87 0.00 0.00 57.45 55.83 1ekj n PHE 290 Cb 0.58 -0.97 -0.14 0.00 -1.61 0.00 0.00 39.48 37.34 1ekj n PHE 290 CO 0.00 0.00 0.00 0.28 -1.87 0.00 0.00 176.76 175.17 1ekj h VAL 291 N 0.00 1.17 -0.46 1.97 2.07 -1.07 -2.81 116.25 117.12 1ekj h VAL 291 Ca 0.00 -2.42 -0.00 0.00 0.82 0.00 0.00 66.70 65.10 1ekj h VAL 291 Cb 0.38 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1ekj h VAL 291 CO 0.00 0.69 0.29 0.03 0.02 0.00 0.00 177.57 178.59 1ekj h ARG 292 N -0.37 0.62 -0.60 1.57 3.08 -0.89 -1.70 114.38 116.08 1ekj h ARG 292 Ca -0.26 -0.05 0.01 0.00 0.07 0.00 0.00 59.98 59.75 1ekj h ARG 292 Cb 1.69 -0.13 -0.03 0.00 0.08 0.00 0.00 29.97 31.58 1ekj h ARG 292 CO 0.07 0.44 0.39 1.49 -1.07 0.00 0.00 179.97 181.29 1ekj h GLU 293 N 0.62 0.77 -0.24 0.04 4.81 -0.94 -0.45 114.58 119.19 1ekj h GLU 293 Ca 0.17 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 59.30 1ekj h GLU 293 Cb -0.03 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 1ekj h GLU 293 CO -0.03 0.51 -0.08 0.78 -0.73 0.00 0.00 179.01 179.46 1ekj h GLY 294 N 0.80 0.40 0.73 1.92 0.00 -1.23 -1.52 103.07 104.17 1ekj h GLY 294 Ca 0.22 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.27 1ekj h GLY 294 CO -0.06 0.23 -0.05 1.41 0.00 0.00 0.00 176.54 178.07 1ekj h LEU 295 N 0.35 0.27 -2.02 3.11 3.38 -0.71 -0.89 115.31 118.81 1ekj h LEU 295 Ca 0.07 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.63 1ekj h LEU 295 Cb 0.37 -0.07 -0.00 0.00 0.09 0.00 0.00 40.66 41.04 1ekj h LEU 295 CO 0.02 0.61 -0.08 0.58 0.09 0.00 0.00 178.44 179.65 1ekj h VAL 296 N -0.07 0.77 -0.01 1.22 2.07 -0.79 -0.79 116.25 118.64 1ekj h VAL 296 Ca 0.03 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.23 1ekj h VAL 296 Cb 0.50 1.19 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1ekj h VAL 296 CO 0.02 0.08 -0.13 0.59 0.02 0.00 0.00 177.57 178.15 1ekj n ASN 297 N -4.01 1.40 -3.68 0.57 3.02 -0.60 -4.93 115.26 107.03 1ekj n ASN 297 Ca -0.03 -1.27 -0.25 0.00 -0.03 0.00 0.00 54.58 53.01 1ekj n ASN 297 Cb 0.17 0.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.48 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 -0.12 -6.93 0.00 3.52 5.02 -0.30 -4.83 118.16 114.51 1ekj n LYS 298 Ca 0.15 0.75 0.03 0.00 -2.02 0.00 0.00 58.31 57.23 1ekj n LYS 298 Cb 0.37 -5.72 0.02 0.00 -0.02 0.00 0.00 35.03 29.67 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 -4.77 0.00 -3.78 -0.18 -2.24 -0.41 -4.98 114.28 97.91 1ekj n THR 299 Ca -0.04 -0.47 -0.13 0.00 -2.27 0.00 0.00 64.05 61.14 1ekj n THR 299 Cb 0.57 1.12 -0.11 0.00 -2.10 0.00 0.00 70.33 69.81 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 -0.93 0.97 0.00 3.22 2.96 -0.94 -4.34 118.68 119.63 1ekj s LEU 300 Ca 0.07 0.52 0.05 0.00 -0.22 0.00 0.00 54.13 54.55 1ekj s LEU 300 Cb 0.06 0.94 -0.02 0.00 0.50 0.00 0.00 46.19 47.67 1ekj s LEU 300 CO 0.12 -0.11 -0.16 0.00 -1.32 0.00 0.00 176.35 174.88 1ekj s ALA 301 N 0.06 1.33 -0.12 5.97 0.00 0.55 -4.21 121.76 125.34 1ekj s ALA 301 Ca -0.01 -0.74 -0.04 0.00 0.00 0.00 0.00 51.96 51.17 1ekj s ALA 301 Cb -0.02 -0.31 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1ekj s ALA 301 CO 0.01 0.31 0.02 -0.51 0.00 0.00 0.00 175.76 175.59 1ekj s LEU 302 N -0.58 3.64 0.01 0.00 1.02 -1.26 -1.47 118.68 120.05 1ekj s LEU 302 Ca 0.05 0.10 -0.01 0.00 0.02 0.00 0.00 54.13 54.30 1ekj s LEU 302 Cb -0.07 -1.87 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1ekj s LEU 302 CO -0.00 0.29 -0.00 -0.54 0.02 0.00 0.00 176.35 176.12 1ekj s LYS 303 N -0.36 0.30 -0.04 1.70 1.02 -0.42 -1.81 119.74 120.13 1ekj s LYS 303 Ca 0.08 -0.51 0.05 0.00 0.02 0.00 0.00 55.97 55.61 1ekj s LYS 303 Cb -0.12 0.11 -0.02 0.00 -0.52 0.00 0.00 37.83 37.28 1ekj s LYS 303 CO 0.02 -0.05 -0.19 0.20 -0.92 0.00 0.00 175.35 174.40 1ekj s GLY 304 N -1.28 1.42 0.24 -3.33 0.00 -0.53 -0.87 107.32 102.97 1ekj s GLY 304 Ca -0.14 -1.03 0.05 0.00 0.00 0.00 0.00 44.72 43.59 1ekj s GLY 304 CO -0.01 -0.81 -0.04 -0.32 0.00 0.00 0.00 173.10 171.92 1ekj s GLY 305 N -0.64 1.59 -0.21 0.20 0.00 0.49 -1.02 107.32 107.73 1ekj s GLY 305 Ca 0.10 -1.78 -0.04 0.00 0.00 0.00 0.00 44.72 43.00 1ekj s GLY 305 CO 0.00 -1.72 0.27 -0.47 0.00 0.00 0.00 173.10 171.18 1ekj s TYR 306 N -3.25 -0.45 -0.28 1.90 5.04 -0.66 -1.05 117.35 118.59 1ekj s TYR 306 Ca 0.27 0.46 -0.12 0.00 -2.44 0.00 0.00 57.07 55.24 1ekj s TYR 306 Cb 0.04 -0.22 -0.05 0.00 0.35 0.00 0.00 41.96 42.08 1ekj s TYR 306 CO 0.09 -0.62 0.24 -0.47 -1.34 0.00 0.00 175.55 173.45 1ekj s TYR 307 N 2.40 3.23 -0.94 4.97 5.04 -0.53 -1.81 117.35 129.71 1ekj s TYR 307 Ca 0.08 0.18 -0.06 0.00 -2.44 0.00 0.00 57.07 54.83 1ekj s TYR 307 Cb -0.15 -2.43 0.24 0.00 0.35 0.00 0.00 41.96 39.96 1ekj s TYR 307 CO -0.13 -0.18 0.87 0.34 -1.34 0.00 0.00 175.55 175.11 1ekj s ASP 308 N 1.73 6.49 0.00 4.32 -1.08 -0.44 -1.02 116.67 126.67 1ekj s ASP 308 Ca 0.09 -3.48 0.03 0.00 -0.52 0.00 0.00 52.55 48.67 1ekj s ASP 308 Cb -0.16 -2.05 0.18 0.00 -1.46 0.00 0.00 42.92 39.44 1ekj s ASP 308 CO 0.11 -0.28 0.84 2.22 0.52 0.00 0.00 175.17 178.58 1ekj n PHE 309 N 2.75 0.00 -0.06 -5.34 1.16 -1.26 0.40 117.46 115.11 1ekj n PHE 309 Ca 0.20 0.00 -0.03 0.00 -1.87 0.00 0.00 57.45 55.75 1ekj n PHE 309 Cb 0.39 -0.19 -0.02 0.00 -1.61 0.00 0.00 39.48 38.05 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 0.23 -0.02 1.97 2.07 -1.93 -3.36 116.25 115.20 1ekj h VAL 310 Ca 0.00 -1.19 0.00 0.00 0.82 0.00 0.00 66.70 66.33 1ekj h VAL 310 Cb 0.02 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.24 1ekj h VAL 310 CO 0.00 0.08 -0.03 0.29 0.02 0.00 0.00 177.57 177.93 1ekj n LYS 311 N -4.71 1.65 -3.39 1.57 4.01 -1.04 -4.96 118.16 111.27 1ekj n LYS 311 Ca -0.04 -1.01 -0.17 0.00 -0.51 0.00 0.00 58.31 56.59 1ekj n LYS 311 Cb 0.13 -1.48 0.09 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 1.21 -0.45 3.43 0.72 0.00 0.16 -5.03 105.19 105.23 1ekj n GLY 312 Ca 0.18 0.15 -0.21 0.00 0.00 0.00 0.00 46.02 46.14 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 -4.23 2.57 -0.10 1.61 1.04 -1.03 -4.99 113.70 108.57 1ekj s SER 313 Ca 0.06 -1.27 -0.08 0.00 0.48 0.00 0.00 55.95 55.14 1ekj s SER 313 Cb -0.01 -0.13 0.03 0.00 0.10 0.00 0.00 66.02 66.02 1ekj s SER 313 CO 0.72 -0.46 0.26 0.12 0.98 0.00 0.00 173.24 174.86 1ekj s PHE 314 N -3.15 -0.32 0.16 5.02 5.36 -1.26 -1.32 117.98 122.47 1ekj s PHE 314 Ca 0.32 0.76 0.10 0.00 -0.96 0.00 0.00 56.93 57.15 1ekj s PHE 314 Cb 0.06 0.09 -0.04 0.00 -0.34 0.00 0.00 43.02 42.79 1ekj s PHE 314 CO 0.13 -0.18 -0.21 -1.21 -1.46 0.00 0.00 175.22 172.29 1ekj s GLU 315 N 0.59 1.63 -0.04 10.12 2.02 -0.75 -4.97 118.70 127.30 1ekj s GLU 315 Ca -0.04 -1.38 -0.06 0.00 0.02 0.00 0.00 54.97 53.52 1ekj s GLU 315 Cb -0.05 -1.96 0.01 0.00 0.10 0.00 0.00 34.13 32.23 1ekj s GLU 315 CO -0.03 0.43 0.15 -1.17 0.02 0.00 0.00 175.26 174.66 1ekj s LEU 316 N -2.46 1.44 0.04 1.80 2.96 -1.26 -1.66 118.68 119.54 1ekj s LEU 316 Ca 0.19 0.15 -0.07 0.00 -0.22 0.00 0.00 54.13 54.19 1ekj s LEU 316 Cb -0.09 0.59 -0.00 0.00 0.50 0.00 0.00 46.19 47.18 1ekj s LEU 316 CO 0.10 -0.16 0.14 -1.66 -1.32 0.00 0.00 176.35 173.45 1ekj s TRP 317 N -0.38 0.13 0.18 5.38 -2.14 -0.19 -4.99 118.94 116.93 1ekj s TRP 317 Ca -0.05 -0.38 0.08 0.00 2.66 0.00 0.00 56.10 58.41 1ekj s TRP 317 Cb -0.03 -0.09 -0.04 0.00 -3.10 0.00 0.00 33.47 30.21 1ekj s TRP 317 CO 0.01 -0.39 -0.01 0.20 -2.66 0.00 0.00 176.95 174.10 1ekj s GLY 318 N -2.05 1.71 -0.10 3.67 0.00 -1.26 -1.45 107.32 107.84 1ekj s GLY 318 Ca -0.06 -1.41 0.03 0.00 0.00 0.00 0.00 44.72 43.29 1ekj s GLY 318 CO -0.04 -1.43 -0.21 -2.27 0.00 0.00 0.00 173.10 169.16 1ekj s LEU 319 N -3.01 2.29 -0.16 0.66 2.96 -0.75 -4.96 118.68 115.71 1ekj s LEU 319 Ca 0.28 -0.47 -0.03 0.00 -0.22 0.00 0.00 54.13 53.69 1ekj s LEU 319 Cb -0.09 -1.47 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1ekj s LEU 319 CO 0.18 0.19 -0.05 -1.61 -1.32 0.00 0.00 176.35 173.74 1ekj s GLU 320 N 0.19 3.59 -0.03 1.98 8.01 -1.26 -4.36 118.70 126.82 1ekj s GLU 320 Ca -0.12 -0.56 0.01 0.00 0.01 0.00 0.00 54.97 54.31 1ekj s GLU 320 Cb -0.16 -2.90 0.01 0.00 -4.31 0.00 0.00 34.13 26.77 1ekj s GLU 320 CO 0.07 0.17 -0.04 0.12 0.01 0.00 0.00 175.26 175.58 1ekj s PHE 321 N 0.55 0.56 0.16 1.61 5.36 -1.26 -5.15 117.98 119.81 1ekj s PHE 321 Ca -0.04 -0.12 -0.17 0.00 -0.96 0.00 0.00 56.93 55.64 1ekj s PHE 321 Cb -0.15 -0.48 0.03 0.00 -0.34 0.00 0.00 43.02 42.09 1ekj s PHE 321 CO 0.03 -0.11 0.46 0.20 -1.46 0.00 0.00 175.22 174.34 1ekj s GLY 322 N 0.52 -0.22 -0.02 13.12 0.00 -1.26 -4.51 107.32 114.95 1ekj s GLY 322 Ca -0.06 -0.09 0.02 0.00 0.00 0.00 0.00 44.72 44.59 1ekj s GLY 322 CO -0.00 -0.26 -0.07 1.08 0.00 0.00 0.00 173.10 173.85 1ekj s LEU 323 N -2.83 1.73 -0.03 0.66 1.43 -1.26 -5.09 118.68 113.29 1ekj s LEU 323 Ca 0.05 -0.14 -0.01 0.00 -1.03 0.00 0.00 54.13 53.01 1ekj s LEU 323 Cb 0.01 -0.43 0.03 0.00 0.03 0.00 0.00 46.19 45.83 1ekj s LEU 323 CO -0.08 0.03 0.05 -0.94 0.23 0.00 0.00 176.35 175.65 1ekj s SER 324 N 0.28 0.04 0.41 2.29 1.04 -1.26 -5.12 113.70 111.38 1ekj s SER 324 Ca -0.04 0.09 -0.26 0.00 0.48 0.00 0.00 55.95 56.23 1ekj s SER 324 Cb -0.08 -0.02 -0.09 0.00 0.10 0.00 0.00 66.02 65.94 1ekj s SER 324 CO 0.00 -0.13 1.32 -0.55 0.98 0.00 0.00 173.24 174.86 1ekj s SER 325 N 1.11 6.22 -0.15 7.02 0.15 -1.26 -4.97 113.70 121.83 1ekj s SER 325 Ca -0.09 2.70 -0.05 0.00 0.70 0.00 0.00 55.95 59.21 1ekj s SER 325 Cb -0.13 -2.64 -0.07 0.00 -1.71 0.00 0.00 66.02 61.47 1ekj s SER 325 CO -0.04 -0.91 -0.18 0.41 1.20 0.00 0.00 173.24 173.72 1ekj n THR 326 N 0.06 0.82 -3.59 6.45 -1.04 -1.26 -5.11 114.28 110.61 1ekj n THR 326 Ca 0.04 -0.24 -0.05 0.00 -2.04 0.00 0.00 64.05 61.77 1ekj n THR 326 Cb 0.43 -1.52 -0.02 0.00 -1.82 0.00 0.00 70.33 67.40 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 -2.28 -0.15 -0.22 -1.42 -0.12 -1.26 -5.13 117.98 107.41 1ekj s PHE 327 Ca -0.20 0.12 -0.04 0.00 -0.05 0.00 0.00 56.93 56.76 1ekj s PHE 327 Cb 0.07 0.51 0.09 0.00 -0.63 0.00 0.00 43.02 43.06 1ekj s PHE 327 CO 0.28 -0.22 0.18 -1.12 -0.05 0.00 0.00 175.22 174.29 1ekj s SER 328 N -2.01 2.02 0.00 1.98 0.01 -1.26 -5.30 113.70 109.14 1ekj s SER 328 Ca 0.08 -0.56 0.24 0.00 1.31 0.00 0.00 55.95 57.02 1ekj s SER 328 Cb -0.01 0.11 0.21 0.00 0.21 0.00 0.00 66.02 66.54 1ekj s SER 328 CO -0.05 -0.36 1.27 0.52 0.41 0.00 0.00 173.24 175.04