#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e90 n SER 144 N 0.00 -2.63 0.14 0.00 3.41 -1.26 -4.74 113.62 108.55 1e90 n SER 144 Ca 0.00 -0.41 0.02 0.00 -0.26 0.00 0.00 58.87 58.23 1e90 n SER 144 Cb 0.00 -1.15 0.38 0.00 -0.26 0.00 0.00 64.21 63.18 1e90 n SER 144 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 1e90 h GLU 145 N -2.99 0.16 -0.17 4.33 4.22 -2.05 -2.69 114.58 115.39 1e90 h GLU 145 Ca -0.56 -0.04 -0.02 0.00 0.08 0.00 0.00 59.36 58.82 1e90 h GLU 145 Cb 1.33 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.56 1e90 h GLU 145 CO 0.41 0.38 0.04 1.49 -2.18 0.00 0.00 179.01 179.15 1e90 h GLU 146 N 0.14 0.27 -0.00 1.92 4.57 -1.99 0.32 114.58 119.82 1e90 h GLU 146 Ca 0.03 -0.06 0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1e90 h GLU 146 Cb 0.48 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 29.01 1e90 h GLU 146 CO 0.03 0.41 -0.12 1.15 -1.18 0.00 0.00 179.01 179.31 1e90 h THR 147 N 0.08 0.70 -0.39 0.32 2.02 -1.82 -1.48 112.91 112.34 1e90 h THR 147 Ca 0.05 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.25 1e90 h THR 147 Cb 0.26 0.70 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1e90 h THR 147 CO 0.00 0.00 0.24 -0.07 0.37 0.00 0.00 175.52 176.06 1e90 h LEU 148 N -0.20 0.40 -0.33 2.58 3.38 -1.42 -2.72 115.31 117.00 1e90 h LEU 148 Ca 0.04 -0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.08 1e90 h LEU 148 Cb 0.26 -0.09 -0.08 0.00 0.09 0.00 0.00 40.66 40.84 1e90 h LEU 148 CO -0.12 0.29 -0.27 0.00 0.09 0.00 0.00 178.44 178.43 1e90 h ALA 149 N 1.16 -0.12 -0.19 1.53 0.00 -0.51 -1.32 119.26 119.82 1e90 h ALA 149 Ca 0.15 0.10 0.05 0.00 0.00 0.00 0.00 54.91 55.21 1e90 h ALA 149 Cb -0.02 0.58 -0.07 0.00 0.00 0.00 0.00 17.79 18.29 1e90 h ALA 149 CO -0.06 -0.68 -0.37 0.35 0.00 0.00 0.00 179.25 178.50 1e90 h PHE 150 N -0.24 -1.03 -0.50 0.00 3.57 -0.99 -1.60 116.94 116.16 1e90 h PHE 150 Ca 0.16 0.05 0.10 0.00 3.53 0.00 0.00 57.97 61.81 1e90 h PHE 150 Cb 0.49 0.48 -0.08 0.00 2.79 0.00 0.00 35.95 39.63 1e90 h PHE 150 CO -0.46 -0.43 -0.03 0.37 -2.23 0.00 0.00 178.31 175.53 1e90 h GLN 151 N -0.41 0.08 -0.23 1.11 5.75 -1.15 -0.30 115.11 119.96 1e90 h GLN 151 Ca 0.10 -0.01 0.05 0.00 -0.15 0.00 0.00 58.65 58.65 1e90 h GLN 151 Cb 0.58 -0.02 -0.07 0.00 1.07 0.00 0.00 27.48 29.04 1e90 h GLN 151 CO -0.41 0.06 -0.40 -0.09 -2.65 0.00 0.00 178.83 175.33 1e90 h ARG 152 N 0.09 -0.40 -0.71 1.69 2.43 -0.32 0.18 114.38 117.34 1e90 h ARG 152 Ca 0.25 0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 59.41 1e90 h ARG 152 Cb 0.38 0.09 -0.03 0.00 -0.42 0.00 0.00 29.97 29.99 1e90 h ARG 152 CO -0.44 -0.27 0.31 -0.56 -1.51 0.00 0.00 179.97 177.50 1e90 h GLN 153 N -0.42 1.02 0.16 0.20 3.07 -0.81 -0.46 115.11 117.88 1e90 h GLN 153 Ca 0.10 -0.16 0.00 0.00 0.09 0.00 0.00 58.65 58.69 1e90 h GLN 153 Cb 0.60 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.97 1e90 h GLN 153 CO -0.45 0.81 -0.14 -0.07 0.09 0.00 0.00 178.83 179.07 1e90 h LEU 154 N 1.01 -0.35 -1.12 0.06 3.38 -0.08 0.53 115.31 118.74 1e90 h LEU 154 Ca 0.24 0.03 0.11 0.00 0.09 0.00 0.00 57.88 58.35 1e90 h LEU 154 Cb 0.15 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.95 1e90 h LEU 154 CO -0.03 -0.21 0.60 0.78 0.09 0.00 0.00 178.44 179.68 1e90 h ASN 155 N -0.31 0.86 -0.42 -0.43 2.35 -0.25 0.19 115.58 117.57 1e90 h ASN 155 Ca -0.00 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 1e90 h ASN 155 Cb 0.29 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1e90 h ASN 155 CO -0.02 0.49 0.27 0.00 -1.65 0.00 0.00 177.43 176.52 1e90 h ALA 156 N 1.54 0.53 -0.39 -0.83 0.00 -0.09 0.10 119.26 120.13 1e90 h ALA 156 Ca 0.45 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 55.25 1e90 h ALA 156 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1e90 h ALA 156 CO -0.21 -0.04 -0.10 -0.07 0.00 0.00 0.00 179.25 178.84 1e90 h LEU 157 N 0.54 0.75 -0.64 0.00 3.38 0.45 -3.18 115.31 116.62 1e90 h LEU 157 Ca 0.16 -0.36 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1e90 h LEU 157 Cb -0.04 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1e90 h LEU 157 CO -0.05 0.94 0.31 0.40 0.09 0.00 0.00 178.44 180.14 1e90 h ILE 158 N 0.55 1.22 0.00 1.22 2.04 -0.40 -3.47 117.51 118.67 1e90 h ILE 158 Ca 0.10 -0.61 0.00 0.00 1.00 0.00 0.00 64.86 65.34 1e90 h ILE 158 Cb 0.61 0.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.14 1e90 h ILE 158 CO 0.04 0.25 0.00 0.61 0.00 0.00 0.00 178.15 179.05 1e90 n GLY 159 N -0.95 0.62 3.24 5.37 0.00 0.33 -4.84 105.19 108.96 1e90 n GLY 159 Ca 0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.94 1e90 n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1e90 s TYR 160 N -2.25 -0.13 -0.78 1.61 5.04 -1.18 -4.91 117.35 114.76 1e90 s TYR 160 Ca 0.00 0.10 -0.18 0.00 -2.44 0.00 0.00 57.07 54.55 1e90 s TYR 160 Cb 0.00 0.09 0.14 0.00 0.35 0.00 0.00 41.96 42.54 1e90 s TYR 160 CO 0.00 -0.44 0.89 0.34 -1.34 0.00 0.00 175.55 175.00 1e90 s ASP 161 N -1.69 6.49 0.00 4.32 2.15 -1.26 -4.55 116.67 122.13 1e90 s ASP 161 Ca -0.09 -1.95 0.01 0.00 0.43 0.00 0.00 52.55 50.94 1e90 s ASP 161 Cb -0.03 -2.32 0.04 0.00 -0.30 0.00 0.00 42.92 40.31 1e90 s ASP 161 CO 0.01 -0.98 1.00 1.33 -0.17 0.00 0.00 175.17 176.35 1e90 n VAL 162 N 5.16 1.82 0.06 1.11 0.24 -1.26 -1.29 118.33 124.16 1e90 n VAL 162 Ca 0.09 0.46 0.04 0.00 -2.04 0.00 0.00 64.34 62.89 1e90 n VAL 162 Cb 0.46 -1.44 -0.05 0.00 -1.47 0.00 0.00 33.84 31.34 1e90 n VAL 162 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 1e90 n THR 163 N -1.47 0.99 -1.48 3.34 -2.24 -1.26 -4.93 114.28 107.23 1e90 n THR 163 Ca 0.00 -0.64 -0.46 0.00 -2.27 0.00 0.00 64.05 60.69 1e90 n THR 163 Cb 0.01 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 67.62 1e90 n THR 163 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1e90 n ASP 164 N -2.82 -0.16 0.00 3.42 2.03 -0.41 -4.91 116.55 113.71 1e90 n ASP 164 Ca -0.06 1.12 0.00 0.00 0.52 0.00 0.00 54.79 56.36 1e90 n ASP 164 Cb 0.74 -1.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.02 1e90 n ASP 164 CO 0.00 0.00 0.00 0.52 -1.92 0.00 0.00 177.20 175.80 1e90 n VAL 165 N -0.04 0.15 0.31 5.18 0.31 -1.26 -4.79 118.33 118.18 1e90 n VAL 165 Ca 0.13 -0.20 0.19 0.00 -0.01 0.00 0.00 64.34 64.46 1e90 n VAL 165 Cb 0.30 1.23 1.04 0.00 -0.91 0.00 0.00 33.84 35.50 1e90 n VAL 165 CO 0.00 0.00 0.00 0.77 -1.32 0.00 0.00 176.83 176.28 1e90 h SER 166 N 0.00 0.00 -2.28 4.52 4.64 -1.99 -3.27 113.55 115.16 1e90 h SER 166 Ca 0.00 0.00 -0.59 0.00 -0.47 0.00 0.00 61.79 60.73 1e90 h SER 166 Cb 0.67 0.00 -0.41 0.00 -0.31 0.00 0.00 62.40 62.36 1e90 h SER 166 CO 0.00 0.01 -0.77 -3.20 -0.87 0.00 0.00 176.83 172.00 1e90 n ASN 167 N -3.37 2.23 -3.56 4.97 5.15 -1.26 -5.05 115.26 114.37 1e90 n ASN 167 Ca -0.03 -3.10 -0.17 0.00 -0.60 0.00 0.00 54.58 50.69 1e90 n ASN 167 Cb 0.11 -0.66 -0.06 0.00 -0.53 0.00 0.00 39.78 38.63 1e90 n ASN 167 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 1e90 s VAL 168 N -1.73 0.00 -0.71 3.44 -7.23 -1.24 -4.78 120.40 108.15 1e90 s VAL 168 Ca 0.36 0.00 0.12 0.00 -1.81 0.00 0.00 61.98 60.65 1e90 s VAL 168 Cb 0.12 -1.00 0.35 0.00 0.56 0.00 0.00 36.38 36.41 1e90 s VAL 168 CO -0.08 0.00 1.29 0.00 -0.31 0.00 0.00 175.10 176.00 1e90 n HIS 169 N 1.46 0.57 -2.23 2.82 1.44 -1.26 -5.02 115.22 113.01 1e90 n HIS 169 Ca -0.17 -0.59 0.00 0.00 -2.01 0.00 0.00 57.72 54.94 1e90 n HIS 169 Cb 0.56 -0.10 0.00 0.00 0.12 0.00 0.00 29.99 30.57 1e90 n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 1e90 n ASP 170 N 0.23 0.00 -1.58 4.39 5.75 -1.26 -5.08 116.55 119.01 1e90 n ASP 170 Ca 0.14 0.00 -0.06 0.00 -0.01 0.00 0.00 54.79 54.86 1e90 n ASP 170 Cb 0.54 0.00 0.09 0.00 -1.03 0.00 0.00 41.12 40.72 1e90 n ASP 170 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 1e90 n ASP 171 N 0.00 2.71 -0.09 -1.12 3.85 -1.26 -4.83 116.55 115.81 1e90 n ASP 171 Ca 0.00 -3.28 -0.11 0.00 -0.71 0.00 0.00 54.79 50.69 1e90 n ASP 171 Cb 0.00 -0.42 -0.04 0.00 -1.35 0.00 0.00 41.12 39.31 1e90 n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 1e90 h GLU 172 N 1.66 0.48 0.33 0.11 4.81 -1.97 0.19 114.58 120.18 1e90 h GLU 172 Ca 0.07 -0.17 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 1e90 h GLU 172 Cb 1.37 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.69 1e90 h GLU 172 CO 0.31 0.67 -0.34 -0.07 -0.73 0.00 0.00 179.01 178.85 1e90 h LEU 173 N 0.24 -0.94 -1.21 1.64 3.38 -1.98 0.72 115.31 117.16 1e90 h LEU 173 Ca 0.07 0.08 0.03 0.00 0.09 0.00 0.00 57.88 58.15 1e90 h LEU 173 Cb 0.48 0.32 -0.05 0.00 0.09 0.00 0.00 40.66 41.50 1e90 h LEU 173 CO 0.02 -0.48 0.54 -0.08 0.09 0.00 0.00 178.44 178.53 1e90 h GLU 174 N -0.71 1.00 -0.06 1.13 4.57 -1.91 -0.59 114.58 118.01 1e90 h GLU 174 Ca -0.02 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.07 1e90 h GLU 174 Cb 0.64 -0.23 -0.01 0.00 -0.16 0.00 0.00 28.75 29.00 1e90 h GLU 174 CO -0.07 0.66 -0.11 0.35 -1.18 0.00 0.00 179.01 178.66 1e90 h PHE 175 N 1.03 0.09 0.11 0.92 3.57 -0.27 -2.69 116.94 119.70 1e90 h PHE 175 Ca 0.33 -0.01 -0.28 0.00 3.53 0.00 0.00 57.97 61.54 1e90 h PHE 175 Cb 0.02 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.73 1e90 h PHE 175 CO -0.00 0.20 -1.36 1.15 -2.23 0.00 0.00 178.31 176.07 1e90 h THR 176 N 0.08 1.35 -0.33 4.41 2.02 0.63 -2.59 112.91 118.48 1e90 h THR 176 Ca 0.02 -2.97 -0.01 0.00 0.77 0.00 0.00 66.41 64.22 1e90 h THR 176 Cb 0.25 2.84 -0.02 0.00 -1.74 0.00 0.00 68.15 69.49 1e90 h THR 176 CO 0.02 0.85 0.17 0.03 0.37 0.00 0.00 175.52 176.96 1e90 h ARG 177 N 0.06 0.45 0.21 6.66 3.08 -0.99 -1.73 114.38 122.11 1e90 h ARG 177 Ca -0.17 -0.04 -0.32 0.00 0.07 0.00 0.00 59.98 59.52 1e90 h ARG 177 Cb 1.97 -0.09 0.03 0.00 0.08 0.00 0.00 29.97 31.96 1e90 h ARG 177 CO 0.18 0.34 -1.40 0.00 -1.07 0.00 0.00 179.97 178.01 1e90 h ARG 178 N 0.45 0.47 0.00 0.04 3.08 -1.51 -3.31 114.38 113.60 1e90 h ARG 178 Ca 0.12 -0.79 0.00 0.00 0.07 0.00 0.00 59.98 59.38 1e90 h ARG 178 Cb 0.02 0.29 0.00 0.00 0.08 0.00 0.00 29.97 30.36 1e90 h ARG 178 CO -0.02 1.38 0.00 0.00 -1.07 0.00 0.00 179.97 180.26 1e90 h ARG 179 N 0.14 0.00 0.00 0.04 3.08 -1.03 -2.91 114.38 113.70 1e90 h ARG 179 Ca -0.22 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.83 1e90 h ARG 179 Cb 2.10 0.00 0.00 0.00 0.08 0.00 0.00 29.97 32.15 1e90 h ARG 179 CO 0.25 0.00 -0.56 1.28 -1.07 0.00 0.00 179.97 179.87 1e90 n LEU 180 N -2.64 0.54 -0.37 3.04 4.77 -0.69 -4.07 117.00 117.58 1e90 n LEU 180 Ca 0.02 0.04 -0.01 0.00 -0.03 0.00 0.00 56.01 56.04 1e90 n LEU 180 Cb 0.29 -0.23 0.13 0.00 -2.33 0.00 0.00 43.42 41.28 1e90 n LEU 180 CO 0.24 0.08 1.29 0.58 -1.33 0.00 0.00 177.39 178.25 1e90 h VAL 181 N 0.00 1.20 0.61 4.08 2.07 -1.61 -1.00 116.25 121.60 1e90 h VAL 181 Ca 0.00 -0.45 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1e90 h VAL 181 Cb 0.56 -0.21 0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1e90 h VAL 181 CO 0.00 0.24 -0.29 0.74 0.02 0.00 0.00 177.57 178.27 1e90 h THR 182 N 1.30 0.05 -0.82 2.57 2.02 -1.77 -2.42 112.91 113.82 1e90 h THR 182 Ca 0.39 -0.40 0.15 0.00 0.77 0.00 0.00 66.41 67.32 1e90 h THR 182 Cb -0.05 0.07 -0.06 0.00 -1.74 0.00 0.00 68.15 66.37 1e90 h THR 182 CO -0.11 0.01 0.54 -0.65 0.37 0.00 0.00 175.52 175.68 1e90 h PRO 183 N -1.20 0.50 0.55 6.66 0.11 -1.75 0.31 132.00 137.18 1e90 h PRO 183 Ca -0.08 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.98 1e90 h PRO 183 Cb 0.64 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.63 1e90 h PRO 183 CO 0.14 0.33 -0.40 -0.09 -0.21 0.00 0.00 178.00 177.77 1e90 h ARG 184 N 0.52 -0.88 -0.47 1.05 2.43 -1.16 -2.11 114.38 113.76 1e90 h ARG 184 Ca 0.41 0.06 -0.05 0.00 -0.81 0.00 0.00 59.98 59.59 1e90 h ARG 184 Cb 0.84 0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 30.57 1e90 h ARG 184 CO -0.16 -0.59 0.09 0.52 -1.51 0.00 0.00 179.97 178.32 1e90 h MET 185 N -0.92 0.71 0.00 0.20 2.86 -0.81 -1.99 114.93 114.98 1e90 h MET 185 Ca -0.06 -0.15 0.00 0.00 -2.06 0.00 0.00 59.70 57.43 1e90 h MET 185 Cb 0.77 -0.11 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1e90 h MET 185 CO 0.03 0.67 0.00 0.00 1.06 0.00 0.00 176.91 178.66 1e90 h ALA 186 N 1.41 1.00 0.03 6.32 0.00 -0.15 -2.17 119.26 125.70 1e90 h ALA 186 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 54.91 54.68 1e90 h ALA 186 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 1e90 h ALA 186 CO 0.00 0.00 -2.36 -1.91 0.00 0.00 0.00 179.25 174.99 1e90 n GLU 187 N -2.62 0.68 0.18 0.00 4.07 -0.81 -4.00 120.64 118.14 1e90 n GLU 187 Ca -0.00 0.18 -0.17 0.00 -0.06 0.00 0.00 57.16 57.11 1e90 n GLU 187 Cb 0.16 -1.57 -0.10 0.00 -0.06 0.00 0.00 31.44 29.88 1e90 n GLU 187 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1e90 h VAL 188 N 0.02 0.02 0.00 6.31 2.07 -1.16 -2.39 116.25 121.12 1e90 h VAL 188 Ca -0.54 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 1e90 h VAL 188 Cb 1.94 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 31.73 1e90 h VAL 188 CO -0.04 0.00 -0.08 0.00 0.02 0.00 0.00 177.57 177.47 1e90 h ALA 189 N -0.61 1.09 -0.25 1.67 0.00 -1.63 -2.89 119.26 116.64 1e90 h ALA 189 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.82 1e90 h ALA 189 Cb 0.80 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1e90 h ALA 189 CO -0.21 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1e90 n GLY 190 N -0.37 0.69 3.71 0.00 0.00 -0.98 -4.88 105.19 103.36 1e90 n GLY 190 Ca -0.01 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.17 1e90 n GLY 190 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1e90 s ARG 191 N -1.68 3.71 0.14 1.61 1.70 -0.94 -5.05 118.95 118.45 1e90 s ARG 191 Ca 0.33 -0.29 -0.31 0.00 -0.47 0.00 0.00 55.73 54.99 1e90 s ARG 191 Cb 0.18 -3.16 -0.11 0.00 -0.57 0.00 0.00 34.95 31.29 1e90 s ARG 191 CO 0.26 0.47 1.84 0.34 -1.08 0.00 0.00 175.30 177.13 1e90 s ASP 192 N -0.18 6.40 0.14 -2.89 2.15 -1.26 -4.90 116.67 116.13 1e90 s ASP 192 Ca 0.08 2.80 -0.18 0.00 0.43 0.00 0.00 52.55 55.68 1e90 s ASP 192 Cb -0.12 -2.57 0.01 0.00 -0.30 0.00 0.00 42.92 39.94 1e90 s ASP 192 CO 0.01 -1.01 1.73 1.55 -0.17 0.00 0.00 175.17 177.28 1e90 h PRO 193 N 8.44 0.12 0.78 4.34 0.13 -1.96 -2.10 132.00 141.75 1e90 h PRO 193 Ca -0.46 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.62 1e90 h PRO 193 Cb 1.22 -0.03 0.01 0.00 0.13 0.00 0.00 31.00 32.33 1e90 h PRO 193 CO 0.95 0.08 -0.38 0.87 -0.23 0.00 0.00 178.00 179.30 1e90 h LYS 194 N 0.13 -1.01 -0.63 0.86 1.57 -1.96 -2.07 116.57 113.46 1e90 h LYS 194 Ca 0.12 0.07 0.18 0.00 -1.87 0.00 0.00 60.65 59.15 1e90 h LYS 194 Cb 0.13 0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.65 1e90 h LYS 194 CO -0.17 -0.67 0.45 -0.07 -0.57 0.00 0.00 179.45 178.41 1e90 h LEU 195 N -1.25 0.01 0.00 2.94 3.38 -1.97 0.53 115.31 118.96 1e90 h LEU 195 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1e90 h LEU 195 Cb 0.80 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 1e90 h LEU 195 CO 0.18 0.01 -0.04 0.22 0.09 0.00 0.00 178.44 178.89 1e90 h TYR 196 N 0.01 0.00 0.14 1.13 3.20 -1.30 -2.20 116.97 117.95 1e90 h TYR 196 Ca 0.30 0.00 -0.29 0.00 3.14 0.00 0.00 58.73 61.88 1e90 h TYR 196 Cb 1.18 0.00 0.01 0.00 1.54 0.00 0.00 36.73 39.45 1e90 h TYR 196 CO -0.00 0.00 -1.33 0.00 -1.64 0.00 0.00 178.16 175.19 1e90 h ALA 197 N 2.28 0.11 -0.29 1.82 0.00 0.80 -3.33 119.26 120.64 1e90 h ALA 197 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 54.91 53.98 1e90 h ALA 197 Cb 0.86 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1e90 h ALA 197 CO 0.00 0.98 0.00 -1.33 0.00 0.00 0.00 179.25 178.90 1e90 n MET 198 N -3.53 2.15 -3.12 0.00 2.81 -0.93 -4.94 117.12 109.56 1e90 n MET 198 Ca -0.11 -1.99 -0.08 0.00 -1.81 0.00 0.00 57.70 53.71 1e90 n MET 198 Cb 1.04 -1.39 0.00 0.00 -0.71 0.00 0.00 33.22 32.15 1e90 n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 1e90 n HIS 199 N 1.09 -0.46 -1.67 2.03 1.44 -0.83 -4.23 115.22 112.59 1e90 n HIS 199 Ca 0.15 0.15 -0.38 0.00 -2.01 0.00 0.00 57.72 55.63 1e90 n HIS 199 Cb 0.50 -0.70 0.05 0.00 0.12 0.00 0.00 29.99 29.96 1e90 n HIS 199 CO 0.00 0.00 0.00 -2.30 -2.81 0.00 0.00 176.34 171.23 1e90 n PRO 200 N -1.32 1.19 -3.99 -1.40 -0.02 -1.26 -4.80 135.00 123.40 1e90 n PRO 200 Ca -0.07 0.45 -0.33 0.00 -2.02 0.00 0.00 63.50 61.53 1e90 n PRO 200 Cb 0.17 -2.34 -0.14 0.00 -0.02 0.00 0.00 33.50 31.16 1e90 n PRO 200 CO 0.00 0.00 0.00 -0.46 1.98 0.00 0.00 175.50 177.02 1e90 s TRP 201 N -1.41 3.35 0.36 6.00 -0.11 -1.26 -5.06 118.94 120.81 1e90 s TRP 201 Ca 0.75 -2.26 0.05 0.00 1.22 0.00 0.00 56.10 55.86 1e90 s TRP 201 Cb -0.42 -2.20 -0.03 0.00 -1.50 0.00 0.00 33.47 29.32 1e90 s TRP 201 CO 0.47 -0.87 0.19 0.14 -4.62 0.00 0.00 176.95 172.26 1e90 s VAL 202 N 1.13 0.32 -0.12 5.86 -7.23 -1.26 -2.76 120.40 116.34 1e90 s VAL 202 Ca -0.04 -2.00 -0.10 0.00 -1.81 0.00 0.00 61.98 58.03 1e90 s VAL 202 Cb -0.20 -2.42 0.03 0.00 0.56 0.00 0.00 36.38 34.35 1e90 s VAL 202 CO -0.04 0.00 0.32 0.28 -0.31 0.00 0.00 175.10 175.35 1e90 s THR 203 N -3.37 -0.01 -1.17 5.32 -1.32 0.07 -4.48 115.64 110.69 1e90 s THR 203 Ca 0.32 0.02 0.17 0.00 -1.21 0.00 0.00 61.69 60.98 1e90 s THR 203 Cb 0.03 -0.45 0.66 0.00 -1.51 0.00 0.00 72.50 71.23 1e90 s THR 203 CO 0.20 0.01 1.56 -1.54 -2.21 0.00 0.00 174.62 172.63 1e90 n SER 204 N 3.13 4.41 -4.87 8.08 3.41 -1.26 -4.73 113.62 121.78 1e90 n SER 204 Ca -0.15 -2.41 -0.30 0.00 -0.26 0.00 0.00 58.87 55.74 1e90 n SER 204 Cb 0.57 -0.56 -0.03 0.00 -0.26 0.00 0.00 64.21 63.93 1e90 n SER 204 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 1e90 s LYS 205 N -1.84 3.80 0.55 4.33 1.02 -1.26 -5.05 119.74 121.28 1e90 s LYS 205 Ca 0.47 0.47 -0.19 0.00 0.02 0.00 0.00 55.97 56.74 1e90 s LYS 205 Cb 0.30 -2.41 -0.06 0.00 -0.52 0.00 0.00 37.83 35.15 1e90 s LYS 205 CO 0.22 -0.00 1.10 -1.25 -0.92 0.00 0.00 175.35 174.50 1e90 s PRO 206 N -3.73 3.39 -0.07 -1.68 0.04 -1.26 -4.95 135.00 126.74 1e90 s PRO 206 Ca 0.51 1.49 -0.29 0.00 0.04 0.00 0.00 61.00 62.75 1e90 s PRO 206 Cb -0.10 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.35 1e90 s PRO 206 CO 0.30 -0.79 1.90 -0.51 0.04 0.00 0.00 177.00 177.94 1e90 s LEU 207 N -3.91 4.13 1.08 -3.56 1.43 -1.26 -4.95 118.68 111.64 1e90 s LEU 207 Ca 0.70 2.27 -0.18 0.00 -1.03 0.00 0.00 54.13 55.89 1e90 s LEU 207 Cb -0.21 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.55 1e90 s LEU 207 CO 0.28 -1.25 -0.03 -2.65 0.23 0.00 0.00 176.35 172.93 1e90 n PRO 208 N 7.73 -1.20 -0.01 1.29 -0.02 -1.26 -4.68 135.00 136.85 1e90 n PRO 208 Ca 0.21 -0.33 -0.09 0.00 -2.02 0.00 0.00 63.50 61.28 1e90 n PRO 208 Cb 0.43 -1.67 0.07 0.00 -0.02 0.00 0.00 33.50 32.31 1e90 n PRO 208 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1e90 h GLU 209 N -1.87 0.59 0.00 -0.52 4.81 -1.87 -2.16 114.58 113.56 1e90 h GLU 209 Ca -0.50 -0.33 0.00 0.00 -0.13 0.00 0.00 59.36 58.39 1e90 h GLU 209 Cb 1.35 0.02 0.00 0.00 0.63 0.00 0.00 28.75 30.75 1e90 h GLU 209 CO 0.36 0.93 0.00 2.48 -0.73 0.00 0.00 179.01 182.05 1e90 n TYR 210 N -4.00 0.00 -0.07 0.92 0.18 -1.26 -2.32 117.16 110.60 1e90 n TYR 210 Ca -0.02 0.00 -0.07 0.00 1.88 0.00 0.00 57.90 59.69 1e90 n TYR 210 Cb 0.56 -0.40 -0.12 0.00 -0.38 0.00 0.00 39.34 39.00 1e90 n TYR 210 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 1e90 n LEU 211 N -1.40 0.00 -0.30 -3.48 4.77 -1.10 -4.32 117.00 111.17 1e90 n LEU 211 Ca 0.06 0.00 0.06 0.00 -0.03 0.00 0.00 56.01 56.09 1e90 n LEU 211 Cb 0.16 0.36 0.20 0.00 -2.33 0.00 0.00 43.42 41.82 1e90 n LEU 211 CO 0.14 0.36 1.13 0.25 -1.33 0.00 0.00 177.39 177.94 1e90 h LEU 212 N 0.00 0.62 0.32 2.23 5.85 -0.98 -1.53 115.31 121.81 1e90 h LEU 212 Ca -0.39 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 58.39 1e90 h LEU 212 Cb 1.88 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.87 1e90 h LEU 212 CO 0.02 0.30 -0.18 0.50 -0.34 0.00 0.00 178.44 178.74 1e90 h LYS 213 N 0.72 -0.46 0.00 1.25 1.63 -1.75 -2.43 116.57 115.53 1e90 h LYS 213 Ca 0.44 0.03 0.00 0.00 -0.85 0.00 0.00 60.65 60.27 1e90 h LYS 213 Cb 0.53 0.10 0.00 0.00 -0.60 0.00 0.00 32.23 32.26 1e90 h LYS 213 CO -0.31 -0.30 0.54 0.87 -3.45 0.00 0.00 179.45 176.80 1e90 h LYS 214 N -0.47 0.00 -5.73 1.90 1.79 -1.47 -3.39 116.57 109.19 1e90 h LYS 214 Ca -0.04 0.00 -0.66 0.00 -2.18 0.00 0.00 60.65 57.77 1e90 h LYS 214 Cb 0.38 0.00 -0.15 0.00 -1.58 0.00 0.00 32.23 30.89 1e90 h LYS 214 CO 0.04 0.00 -0.60 0.42 -1.08 0.00 0.00 179.45 178.24 1e90 s ILE 215 N -3.84 4.51 -0.25 1.86 1.01 -0.92 -5.09 121.20 118.48 1e90 s ILE 215 Ca -0.02 -0.16 -0.03 0.00 0.00 0.00 0.00 60.65 60.44 1e90 s ILE 215 Cb 0.05 -2.94 0.02 0.00 0.01 0.00 0.00 42.46 39.59 1e90 s ILE 215 CO 0.15 0.57 -0.03 -0.89 0.00 0.00 0.00 174.94 174.74 1e90 s THR 216 N -0.55 3.18 -0.93 2.92 2.01 -1.26 -4.80 115.64 116.22 1e90 s THR 216 Ca 0.10 -0.84 -0.09 0.00 0.31 0.00 0.00 61.69 61.16 1e90 s THR 216 Cb -0.12 -2.58 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1e90 s THR 216 CO 0.02 0.23 0.68 0.59 -0.69 0.00 0.00 174.62 175.46 1e90 n ASN 217 N 4.73 -5.56 -4.17 3.53 3.02 -1.26 -2.54 115.26 113.02 1e90 n ASN 217 Ca -0.17 -0.82 -0.34 0.00 -0.03 0.00 0.00 54.58 53.23 1e90 n ASN 217 Cb 0.48 -2.93 -0.08 0.00 -0.61 0.00 0.00 39.78 36.64 1e90 n ASN 217 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1e90 n ASN 218 N -2.40 -0.56 -4.06 6.41 2.85 -1.26 -4.92 115.26 111.31 1e90 n ASN 218 Ca -0.17 -1.12 -0.16 0.00 -0.11 0.00 0.00 54.58 53.02 1e90 n ASN 218 Cb 0.61 -1.41 -0.13 0.00 1.24 0.00 0.00 39.78 40.09 1e90 n ASN 218 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1e90 s VAL 220 N -0.88 0.04 -0.12 0.00 1.01 -0.32 -4.13 120.40 116.01 1e90 s VAL 220 Ca -0.03 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 1e90 s VAL 220 Cb -0.07 -0.17 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1e90 s VAL 220 CO 0.01 -0.18 -0.04 -0.36 0.00 0.00 0.00 175.10 174.53 1e90 s PHE 221 N -0.54 3.03 -0.02 5.22 0.40 -1.26 -0.43 117.98 124.38 1e90 s PHE 221 Ca -0.06 -0.11 0.04 0.00 -0.60 0.00 0.00 56.93 56.19 1e90 s PHE 221 Cb -0.04 -1.86 -0.01 0.00 0.51 0.00 0.00 43.02 41.62 1e90 s PHE 221 CO -0.00 0.16 -0.12 0.96 0.70 0.00 0.00 175.22 176.92 1e90 s ILE 222 N -0.19 1.01 -0.35 0.64 -0.00 -0.21 -4.51 121.20 117.58 1e90 s ILE 222 Ca 0.04 -0.52 -0.13 0.00 -0.00 0.00 0.00 60.65 60.03 1e90 s ILE 222 Cb -0.13 -0.85 -0.01 0.00 -0.00 0.00 0.00 42.46 41.47 1e90 s ILE 222 CO 0.02 0.29 0.25 -0.69 -0.00 0.00 0.00 174.94 174.81 1e90 s VAL 223 N -0.15 5.25 -0.22 8.37 1.01 -0.53 -1.79 120.40 132.35 1e90 s VAL 223 Ca 0.02 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.59 1e90 s VAL 223 Cb -0.07 -3.75 -0.05 0.00 0.00 0.00 0.00 36.38 32.52 1e90 s VAL 223 CO 0.00 -0.07 0.12 -0.63 0.00 0.00 0.00 175.10 174.52 1e90 s ILE 224 N 1.71 5.10 0.09 2.22 -1.09 -0.58 -0.08 121.20 128.57 1e90 s ILE 224 Ca 0.06 0.09 0.06 0.00 -2.23 0.00 0.00 60.65 58.63 1e90 s ILE 224 Cb -0.18 -3.35 -0.04 0.00 -1.58 0.00 0.00 42.46 37.31 1e90 s ILE 224 CO 0.10 0.39 -0.08 -1.00 -1.23 0.00 0.00 174.94 173.12 1e90 s HIS 225 N 0.86 2.79 -0.34 3.97 3.76 0.38 -1.75 115.29 124.96 1e90 s HIS 225 Ca 0.06 -0.13 0.00 0.00 -0.15 0.00 0.00 55.06 54.85 1e90 s HIS 225 Cb -0.13 -1.46 0.14 0.00 1.11 0.00 0.00 32.58 32.23 1e90 s HIS 225 CO 0.03 0.43 0.25 0.50 -0.85 0.00 0.00 174.74 175.10 1e90 s ARG 226 N -2.16 0.49 7.06 1.40 6.06 0.38 -1.96 118.95 130.22 1e90 s ARG 226 Ca 0.22 -0.93 0.00 0.00 -2.50 0.00 0.00 55.73 52.52 1e90 s ARG 226 Cb -0.11 -1.04 0.00 0.00 0.06 0.00 0.00 34.95 33.86 1e90 s ARG 226 CO 0.14 -1.15 0.00 0.43 -2.50 0.00 0.00 175.30 172.22 1e90 n SER 227 N 4.45 0.00 -0.63 -2.12 7.64 -1.26 -0.74 113.62 120.96 1e90 n SER 227 Ca 0.07 0.00 0.06 0.00 1.01 0.00 0.00 58.87 60.01 1e90 n SER 227 Cb 0.41 0.00 0.15 0.00 -1.01 0.00 0.00 64.21 63.77 1e90 n SER 227 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1e90 n THR 228 N 0.00 0.46 -3.78 0.44 -1.04 -1.26 -4.79 114.28 104.30 1e90 n THR 228 Ca 0.00 -0.46 -0.36 0.00 -2.04 0.00 0.00 64.05 61.19 1e90 n THR 228 Cb 0.00 0.23 -0.12 0.00 -1.82 0.00 0.00 70.33 68.62 1e90 n THR 228 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1e90 s THR 229 N -1.54 4.46 -0.02 12.58 2.01 0.08 -5.08 115.64 128.12 1e90 s THR 229 Ca 0.23 -0.13 -0.01 0.00 0.31 0.00 0.00 61.69 62.09 1e90 s THR 229 Cb 0.12 -3.08 0.01 0.00 0.01 0.00 0.00 72.50 69.56 1e90 s THR 229 CO 0.16 0.35 0.05 -0.94 -0.69 0.00 0.00 174.62 173.54 1e90 s SER 230 N 1.46 -0.03 0.10 3.53 1.04 -1.26 0.14 113.70 118.69 1e90 s SER 230 Ca 0.06 0.10 0.06 0.00 0.48 0.00 0.00 55.95 56.65 1e90 s SER 230 Cb -0.15 0.06 -0.03 0.00 0.10 0.00 0.00 66.02 66.00 1e90 s SER 230 CO 0.04 -0.05 -0.16 -1.58 0.98 0.00 0.00 173.24 172.47 1e90 s GLN 231 N 0.38 0.98 -0.17 4.02 2.00 -0.72 -4.98 119.66 121.16 1e90 s GLN 231 Ca -0.03 -1.12 -0.05 0.00 -2.00 0.00 0.00 55.36 52.16 1e90 s GLN 231 Cb -0.04 -0.99 -0.03 0.00 0.80 0.00 0.00 33.01 32.74 1e90 s GLN 231 CO -0.01 0.21 -0.00 0.99 -0.50 0.00 0.00 175.29 175.98 1e90 s THR 232 N -1.61 4.15 0.15 -0.34 2.01 -1.26 -1.52 115.64 117.22 1e90 s THR 232 Ca 0.05 -0.26 0.08 0.00 0.31 0.00 0.00 61.69 61.87 1e90 s THR 232 Cb -0.08 -2.85 -0.04 0.00 0.01 0.00 0.00 72.50 69.54 1e90 s THR 232 CO 0.03 0.47 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.62 1e90 s ILE 233 N 0.51 1.72 -0.25 1.82 1.09 -0.74 -4.99 121.20 120.36 1e90 s ILE 233 Ca -0.01 -1.83 -0.00 0.00 -1.10 0.00 0.00 60.65 57.71 1e90 s ILE 233 Cb -0.14 -1.75 0.04 0.00 -1.06 0.00 0.00 42.46 39.55 1e90 s ILE 233 CO 0.02 -0.29 -0.07 -0.75 -0.10 0.00 0.00 174.94 173.74 1e90 s LYS 234 N -2.65 2.63 0.46 2.79 2.20 -1.26 -1.04 119.74 122.87 1e90 s LYS 234 Ca 0.13 -1.10 0.05 0.00 -0.36 0.00 0.00 55.97 54.69 1e90 s LYS 234 Cb -0.06 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.26 1e90 s LYS 234 CO 0.06 -0.46 0.13 0.08 -0.36 0.00 0.00 175.35 174.80 1e90 s VAL 235 N 1.26 1.84 0.18 4.02 1.01 0.43 -4.93 120.40 124.19 1e90 s VAL 235 Ca -0.03 -1.81 -0.19 0.00 0.00 0.00 0.00 61.98 59.95 1e90 s VAL 235 Cb -0.18 -2.64 -0.08 0.00 0.00 0.00 0.00 36.38 33.48 1e90 s VAL 235 CO -0.05 0.00 0.67 -0.94 0.00 0.00 0.00 175.10 174.79 1e90 s SER 236 N -3.91 7.06 0.00 3.32 1.04 -1.26 -1.17 113.70 118.77 1e90 s SER 236 Ca 0.29 1.36 0.02 0.00 0.48 0.00 0.00 55.95 58.11 1e90 s SER 236 Cb 0.04 -2.40 0.13 0.00 0.10 0.00 0.00 66.02 63.89 1e90 s SER 236 CO 0.16 0.11 0.45 0.00 0.98 0.00 0.00 173.24 174.94 1e90 n ALA 237 N 1.02 1.64 0.02 5.32 0.00 -1.16 -1.57 120.51 125.78 1e90 n ALA 237 Ca -0.05 -0.01 0.00 0.00 0.00 0.00 0.00 53.44 53.38 1e90 n ALA 237 Cb 0.51 -1.04 0.00 0.00 0.00 0.00 0.00 19.45 18.93 1e90 n ALA 237 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1e90 n ASP 238 N -0.78 1.26 -4.78 0.00 9.92 -1.26 -3.31 116.55 117.61 1e90 n ASP 238 Ca 0.02 -1.23 -0.37 0.00 -0.53 0.00 0.00 54.79 52.67 1e90 n ASP 238 Cb 0.01 -0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1e90 n ASP 238 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 1e90 s ASP 239 N -0.25 6.92 0.27 -2.24 1.01 -0.61 -4.60 116.67 117.17 1e90 s ASP 239 Ca 0.01 2.08 -0.15 0.00 0.71 0.00 0.00 52.55 55.21 1e90 s ASP 239 Cb 0.01 -2.60 -0.08 0.00 1.01 0.00 0.00 42.92 41.26 1e90 s ASP 239 CO 0.01 -0.38 0.68 0.42 0.21 0.00 0.00 175.17 176.11 1e90 s THR 240 N -1.53 4.73 0.51 -1.27 -4.23 -1.26 -2.15 115.64 110.43 1e90 s THR 240 Ca 0.54 0.90 0.11 0.00 -1.18 0.00 0.00 61.69 62.06 1e90 s THR 240 Cb -0.24 -3.66 0.11 0.00 1.34 0.00 0.00 72.50 70.05 1e90 s THR 240 CO 0.31 -0.06 1.29 -0.65 -0.54 0.00 0.00 174.62 174.97 1e90 h PRO 241 N 2.62 0.00 0.13 3.99 0.11 -1.77 0.81 132.00 137.91 1e90 h PRO 241 Ca -0.48 0.00 -0.29 0.00 0.11 0.00 0.00 66.00 65.34 1e90 h PRO 241 Cb 1.18 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.29 1e90 h PRO 241 CO 0.66 0.00 -1.49 0.78 -0.21 0.00 0.00 178.00 177.74 1e90 h GLY 242 N 0.00 0.33 1.96 -0.55 0.00 -1.91 -2.69 103.07 100.20 1e90 h GLY 242 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 47.33 46.50 1e90 h GLY 242 CO 0.00 0.73 0.00 2.41 0.00 0.00 0.00 176.54 179.68 1e90 n THR 243 N -3.84 1.34 -0.10 4.70 -1.04 0.27 -0.35 114.28 115.26 1e90 n THR 243 Ca -0.25 0.34 -0.21 0.00 -2.04 0.00 0.00 64.05 61.89 1e90 n THR 243 Cb 0.95 -1.18 -0.10 0.00 -1.82 0.00 0.00 70.33 68.17 1e90 n THR 243 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 1e90 n ILE 244 N -1.48 1.52 -0.26 12.58 5.41 -0.55 -3.06 119.36 133.52 1e90 n ILE 244 Ca 0.02 -0.03 -0.06 0.00 1.00 0.00 0.00 62.75 63.68 1e90 n ILE 244 Cb 0.10 -2.06 0.05 0.00 -0.71 0.00 0.00 39.64 37.02 1e90 n ILE 244 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1e90 h LEU 245 N -1.00 0.88 -0.56 1.39 3.38 -1.06 0.56 115.31 118.90 1e90 h LEU 245 Ca -0.35 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.52 1e90 h LEU 245 Cb 1.25 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1e90 h LEU 245 CO -0.21 0.72 0.31 -0.61 0.09 0.00 0.00 178.44 178.73 1e90 h GLN 246 N 0.97 0.78 0.00 1.13 4.15 -0.87 -1.36 115.11 119.92 1e90 h GLN 246 Ca 0.25 -0.09 0.00 0.00 0.77 0.00 0.00 58.65 59.58 1e90 h GLN 246 Cb 0.03 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 27.57 1e90 h GLN 246 CO -0.04 0.60 0.00 0.45 -1.93 0.00 0.00 178.83 177.91 1e90 n SER 247 N -4.60 0.04 -0.01 -0.69 2.88 -0.93 -2.66 113.62 107.64 1e90 n SER 247 Ca 0.03 0.51 -0.06 0.00 -1.33 0.00 0.00 58.87 58.02 1e90 n SER 247 Cb 0.09 -0.52 -0.13 0.00 -0.75 0.00 0.00 64.21 62.90 1e90 n SER 247 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1e90 n PHE 248 N -1.54 0.88 0.46 0.66 7.35 0.14 -2.91 117.46 122.51 1e90 n PHE 248 Ca 0.05 0.31 0.13 0.00 -0.76 0.00 0.00 57.45 57.18 1e90 n PHE 248 Cb 0.25 -1.13 0.31 0.00 0.35 0.00 0.00 39.48 39.26 1e90 n PHE 248 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 1e90 h PHE 249 N 0.00 0.00 0.00 -5.13 0.05 -1.07 -2.90 116.94 107.89 1e90 h PHE 249 Ca -0.27 0.00 -0.10 0.00 3.82 0.00 0.00 57.97 61.42 1e90 h PHE 249 Cb 1.90 0.00 -0.01 0.00 2.00 0.00 0.00 35.95 39.84 1e90 h PHE 249 CO 0.00 0.00 -0.57 1.79 -0.18 0.00 0.00 178.31 179.35 1e90 h THR 250 N 0.00 1.13 0.52 -1.55 1.35 -1.60 -3.39 112.91 109.37 1e90 h THR 250 Ca 0.00 -2.06 -0.02 0.00 -0.55 0.00 0.00 66.41 63.78 1e90 h THR 250 Cb 0.84 2.35 -0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1e90 h THR 250 CO 0.00 0.38 -0.34 0.50 -0.25 0.00 0.00 175.52 175.82 1e90 h LYS 251 N -1.00 -0.78 0.00 4.72 3.64 -1.61 -3.52 116.57 118.03 1e90 h LYS 251 Ca -0.15 0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1e90 h LYS 251 Cb 1.01 0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.00 1e90 h LYS 251 CO -0.09 -0.52 0.00 -1.33 -2.27 0.00 0.00 179.45 175.24 1e90 n MET 252 N -4.47 0.00 0.00 1.90 2.81 -1.09 -5.11 117.12 111.16 1e90 n MET 252 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1e90 n MET 252 Cb 0.34 -0.38 0.00 0.00 -0.71 0.00 0.00 33.22 32.46 1e90 n MET 252 CO 0.00 0.00 0.00 0.27 1.51 0.00 0.00 175.97 177.75 1e90 n ASN 266 N -0.68 0.00 0.07 7.83 6.94 -1.26 -4.65 115.26 123.50 1e90 n ASN 266 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 54.58 54.56 1e90 n ASN 266 Cb 0.00 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.42 1e90 n ASN 266 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1e90 n GLU 267 N -0.37 0.00 -1.80 -3.83 1.02 -1.26 -4.81 120.64 109.59 1e90 n GLU 267 Ca 0.00 0.00 -0.37 0.00 -0.02 0.00 0.00 57.16 56.77 1e90 n GLU 267 Cb 0.00 -0.30 0.03 0.00 -0.02 0.00 0.00 31.44 31.14 1e90 n GLU 267 CO 0.00 0.00 0.00 -2.13 1.18 0.00 0.00 177.13 176.18 1e90 n ARG 268 N -3.33 2.68 -1.39 3.49 3.00 -1.26 -4.59 116.66 115.26 1e90 n ARG 268 Ca 0.00 -3.30 -0.24 0.00 -0.00 0.00 0.00 57.85 54.32 1e90 n ARG 268 Cb 0.07 -2.24 0.10 0.00 0.00 0.00 0.00 32.46 30.39 1e90 n ARG 268 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 1e90 n ASP 269 N -0.34 5.28 -4.26 6.15 -0.08 -1.26 -4.99 116.55 117.06 1e90 n ASP 269 Ca 0.54 -3.76 -0.28 0.00 -1.51 0.00 0.00 54.79 49.78 1e90 n ASP 269 Cb 0.32 -0.71 -0.08 0.00 2.34 0.00 0.00 41.12 42.99 1e90 n ASP 269 CO 0.00 0.00 0.00 -0.36 0.12 0.00 0.00 177.20 176.96 1e90 s PHE 270 N -3.57 1.80 0.03 -0.67 0.40 -1.26 -4.55 117.98 110.15 1e90 s PHE 270 Ca 0.56 -1.22 -0.23 0.00 -0.60 0.00 0.00 56.93 55.43 1e90 s PHE 270 Cb 0.46 -1.27 0.05 0.00 0.51 0.00 0.00 43.02 42.77 1e90 s PHE 270 CO 0.02 -0.18 0.54 0.54 0.70 0.00 0.00 175.22 176.83 1e90 s VAL 271 N -3.11 0.02 -0.30 -0.44 0.11 -0.59 -4.80 120.40 111.29 1e90 s VAL 271 Ca 0.18 -0.20 -0.21 0.00 -2.93 0.00 0.00 61.98 58.82 1e90 s VAL 271 Cb 0.02 -0.96 -0.01 0.00 -1.53 0.00 0.00 36.38 33.90 1e90 s VAL 271 CO 0.12 -0.11 0.64 -0.76 -3.33 0.00 0.00 175.10 171.65 1e90 s LEU 272 N -1.85 4.13 0.20 2.54 1.43 -1.26 -2.48 118.68 121.38 1e90 s LEU 272 Ca -0.06 0.47 0.10 0.00 -1.03 0.00 0.00 54.13 53.61 1e90 s LEU 272 Cb -0.01 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.33 1e90 s LEU 272 CO -0.00 -0.48 -0.21 -0.60 0.23 0.00 0.00 176.35 175.29 1e90 s ARG 273 N 2.63 1.46 -0.10 1.70 3.52 -0.89 -1.11 118.95 126.16 1e90 s ARG 273 Ca 0.26 -1.53 -0.29 0.00 -0.13 0.00 0.00 55.73 54.04 1e90 s ARG 273 Cb -0.15 -1.65 -0.01 0.00 -1.56 0.00 0.00 34.95 31.58 1e90 s ARG 273 CO 0.12 0.34 0.98 0.08 -0.81 0.00 0.00 175.30 176.00 1e90 s VAL 274 N -1.96 4.81 -0.26 7.11 1.01 0.22 0.21 120.40 131.54 1e90 s VAL 274 Ca 0.21 1.99 -0.39 0.00 0.00 0.00 0.00 61.98 63.79 1e90 s VAL 274 Cb -0.07 -4.29 -0.15 0.00 0.00 0.00 0.00 36.38 31.87 1e90 s VAL 274 CO 0.10 0.03 1.77 0.00 0.00 0.00 0.00 175.10 177.00 1e90 n GLY 276 N 4.25 0.59 3.41 0.00 0.00 -1.23 -4.58 105.19 107.63 1e90 n GLY 276 Ca 0.26 -0.71 -0.14 0.00 0.00 0.00 0.00 46.02 45.42 1e90 n GLY 276 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e90 s ARG 277 N -3.19 0.73 -1.39 1.61 0.52 -0.39 -4.75 118.95 112.10 1e90 s ARG 277 Ca 0.00 0.43 -0.11 0.00 -0.52 0.00 0.00 55.73 55.53 1e90 s ARG 277 Cb 0.00 0.35 0.09 0.00 0.52 0.00 0.00 34.95 35.91 1e90 s ARG 277 CO 0.00 -0.15 2.16 -0.25 0.02 0.00 0.00 175.30 177.08 1e90 n ASP 278 N 2.04 5.22 -3.74 0.23 8.00 -0.43 -4.09 116.55 123.79 1e90 n ASP 278 Ca -0.16 -2.96 -0.26 0.00 0.71 0.00 0.00 54.79 52.12 1e90 n ASP 278 Cb 0.56 -1.54 -0.17 0.00 -0.02 0.00 0.00 41.12 39.95 1e90 n ASP 278 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 1e90 s GLU 279 N 1.48 0.61 -0.10 -1.24 2.56 -1.26 -4.76 118.70 115.99 1e90 s GLU 279 Ca 0.46 -0.19 -0.03 0.00 0.00 0.00 0.00 54.97 55.21 1e90 s GLU 279 Cb 0.13 -1.65 -0.03 0.00 2.00 0.00 0.00 34.13 34.58 1e90 s GLU 279 CO -0.05 -0.51 0.03 0.71 -0.56 0.00 0.00 175.26 174.89 1e90 s TYR 280 N 1.92 3.26 -0.82 5.30 1.51 -1.26 -0.61 117.35 126.64 1e90 s TYR 280 Ca 0.02 0.24 -0.14 0.00 -1.01 0.00 0.00 57.07 56.17 1e90 s TYR 280 Cb -0.15 -1.85 0.21 0.00 -0.11 0.00 0.00 41.96 40.07 1e90 s TYR 280 CO -0.07 0.49 0.77 -0.51 -1.11 0.00 0.00 175.55 175.12 1e90 s LEU 281 N -0.79 6.69 0.26 -1.29 1.43 -0.27 -4.48 118.68 120.23 1e90 s LEU 281 Ca 0.12 -2.63 0.01 0.00 -1.03 0.00 0.00 54.13 50.60 1e90 s LEU 281 Cb -0.12 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 43.85 1e90 s LEU 281 CO 0.02 -0.60 0.14 0.68 0.23 0.00 0.00 176.35 176.82 1e90 s VAL 282 N 0.30 0.25 0.00 -1.59 -7.23 -1.26 -4.51 120.40 106.36 1e90 s VAL 282 Ca 0.18 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 1e90 s VAL 282 Cb -0.11 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.29 1e90 s VAL 282 CO -0.08 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.32 1e90 n GLY 283 N -0.44 0.77 3.24 2.32 0.00 -1.26 -4.74 105.19 105.09 1e90 n GLY 283 Ca 0.02 -1.83 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 1e90 n GLY 283 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1e90 n GLU 284 N 0.94 2.62 -3.80 1.61 -0.58 -1.26 -4.39 120.64 115.78 1e90 n GLU 284 Ca 0.00 -2.75 -0.13 0.00 -0.42 0.00 0.00 57.16 53.87 1e90 n GLU 284 Cb 0.00 -3.39 -0.12 0.00 -0.57 0.00 0.00 31.44 27.36 1e90 n GLU 284 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 1e90 s THR 285 N 5.02 0.00 0.33 2.62 2.01 -1.26 -5.11 115.64 119.25 1e90 s THR 285 Ca 0.54 -0.03 -0.29 0.00 0.31 0.00 0.00 61.69 62.22 1e90 s THR 285 Cb 0.08 -0.30 -0.11 0.00 0.01 0.00 0.00 72.50 72.17 1e90 s THR 285 CO 0.04 -0.02 1.55 -2.84 -0.69 0.00 0.00 174.62 172.67 1e90 s PRO 286 N 0.05 4.11 0.55 4.92 0.02 -1.26 -4.30 135.00 139.08 1e90 s PRO 286 Ca -0.01 2.58 0.29 0.00 0.02 0.00 0.00 61.00 63.88 1e90 s PRO 286 Cb -0.02 -3.00 1.45 0.00 0.02 0.00 0.00 34.50 32.96 1e90 s PRO 286 CO 0.00 -0.60 1.94 -0.84 -0.33 0.00 0.00 177.00 177.18 1e90 h ILE 287 N 3.22 0.58 0.00 2.83 -0.00 -1.57 0.25 117.51 122.82 1e90 h ILE 287 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 64.37 1e90 h ILE 287 Cb 1.23 0.64 0.00 0.00 -0.00 0.00 0.00 36.82 38.69 1e90 h ILE 287 CO 0.73 0.00 0.00 2.29 -0.00 0.00 0.00 178.15 181.17 1e90 n LYS 288 N -4.19 0.20 -0.27 0.16 2.85 -1.21 -2.55 118.16 113.15 1e90 n LYS 288 Ca 0.13 0.38 0.07 0.00 -1.05 0.00 0.00 58.31 57.84 1e90 n LYS 288 Cb 0.75 -1.85 0.21 0.00 -0.65 0.00 0.00 35.03 33.49 1e90 n LYS 288 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 177.40 177.44 1e90 n ASN 289 N -2.22 2.61 -4.72 -5.58 3.02 0.88 -4.67 115.26 104.57 1e90 n ASN 289 Ca 0.03 -2.06 -0.36 0.00 -0.03 0.00 0.00 54.58 52.16 1e90 n ASN 289 Cb 0.27 -0.34 -0.08 0.00 -0.61 0.00 0.00 39.78 39.02 1e90 n ASN 289 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 1e90 s PHE 290 N -1.47 3.41 0.20 3.10 0.40 -1.06 -0.75 117.98 121.82 1e90 s PHE 290 Ca 0.31 0.42 -0.11 0.00 -0.60 0.00 0.00 56.93 56.95 1e90 s PHE 290 Cb 0.17 -2.25 0.25 0.00 0.51 0.00 0.00 43.02 41.70 1e90 s PHE 290 CO 0.20 0.23 1.72 1.96 0.70 0.00 0.00 175.22 180.03 1e90 h GLN 291 N 6.80 0.30 -0.87 0.44 1.08 -1.84 -1.83 115.11 119.19 1e90 h GLN 291 Ca -0.40 -0.02 0.07 0.00 -1.45 0.00 0.00 58.65 56.85 1e90 h GLN 291 Cb 1.16 -0.07 -0.07 0.00 -0.05 0.00 0.00 27.48 28.45 1e90 h GLN 291 CO 0.75 0.20 0.54 2.35 -0.95 0.00 0.00 178.83 181.71 1e90 h TRP 292 N 0.31 0.99 0.08 2.96 2.91 -1.95 0.32 115.95 121.57 1e90 h TRP 292 Ca 0.29 0.03 -0.00 0.00 1.13 0.00 0.00 58.89 60.33 1e90 h TRP 292 Cb 0.38 -0.32 0.00 0.00 -0.51 0.00 0.00 29.16 28.72 1e90 h TRP 292 CO -0.21 0.48 -0.04 0.28 -1.03 0.00 0.00 178.44 177.91 1e90 h VAL 293 N 0.95 0.91 0.00 2.65 2.07 -1.65 0.25 116.25 121.43 1e90 h VAL 293 Ca 0.39 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.86 1e90 h VAL 293 Cb 0.23 0.91 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1e90 h VAL 293 CO -0.19 0.00 -0.23 0.03 0.02 0.00 0.00 177.57 177.19 1e90 h ARG 294 N -0.12 0.00 -0.27 1.57 3.08 -0.82 -1.20 114.38 116.62 1e90 h ARG 294 Ca -0.01 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.86 1e90 h ARG 294 Cb 0.09 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.14 1e90 h ARG 294 CO 0.02 0.23 -0.55 0.37 -1.07 0.00 0.00 179.97 178.97 1e90 h GLN 295 N 0.00 0.83 -0.39 0.04 4.15 0.21 -2.53 115.11 117.42 1e90 h GLN 295 Ca -0.00 -0.53 -0.07 0.00 0.77 0.00 0.00 58.65 58.82 1e90 h GLN 295 Cb 0.44 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.18 1e90 h GLN 295 CO 0.03 1.16 -0.03 0.00 -1.93 0.00 0.00 178.83 178.06 1e90 h LEU 297 N 0.54 -1.02 -0.65 0.00 3.38 -1.18 0.22 115.31 116.59 1e90 h LEU 297 Ca 0.11 0.10 0.12 0.00 0.09 0.00 0.00 57.88 58.29 1e90 h LEU 297 Cb 0.53 0.36 -0.09 0.00 0.09 0.00 0.00 40.66 41.55 1e90 h LEU 297 CO 0.03 -0.49 0.19 0.50 0.09 0.00 0.00 178.44 178.76 1e90 h LYS 298 N -0.70 0.32 -0.08 1.13 3.64 -1.44 0.43 116.57 119.87 1e90 h LYS 298 Ca -0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 1e90 h LYS 298 Cb 0.66 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1e90 h LYS 298 CO -0.12 0.21 0.00 0.09 -2.27 0.00 0.00 179.45 177.36 1e90 n ASN 299 N -5.08 0.45 -3.31 4.20 3.02 -1.02 -4.86 115.26 108.66 1e90 n ASN 299 Ca 0.10 -1.96 -0.22 0.00 -0.03 0.00 0.00 54.58 52.48 1e90 n ASN 299 Cb 0.34 -0.05 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1e90 n ASN 299 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1e90 n GLY 300 N 0.65 -0.48 3.90 7.41 0.00 0.15 -4.93 105.19 111.89 1e90 n GLY 300 Ca 0.04 0.07 -0.21 0.00 0.00 0.00 0.00 46.02 45.92 1e90 n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e90 s GLU 301 N -5.94 3.14 0.34 1.61 2.02 0.62 -5.01 118.70 115.48 1e90 s GLU 301 Ca 0.37 -0.95 -0.25 0.00 0.02 0.00 0.00 54.97 54.16 1e90 s GLU 301 Cb -0.20 -2.71 -0.10 0.00 0.10 0.00 0.00 34.13 31.22 1e90 s GLU 301 CO 0.45 0.37 0.95 -1.21 0.02 0.00 0.00 175.26 175.84 1e90 s GLU 302 N -3.93 4.53 -0.73 1.61 2.02 -1.26 -4.43 118.70 116.51 1e90 s GLU 302 Ca 0.35 1.30 -0.17 0.00 0.02 0.00 0.00 54.97 56.47 1e90 s GLU 302 Cb -0.08 -2.71 0.15 0.00 0.10 0.00 0.00 34.13 31.58 1e90 s GLU 302 CO 0.27 0.23 0.79 0.42 0.02 0.00 0.00 175.26 177.00 1e90 s ILE 303 N -1.69 5.08 -0.33 -1.63 1.09 -1.26 -5.02 121.20 117.44 1e90 s ILE 303 Ca 0.52 -1.62 -0.16 0.00 -1.10 0.00 0.00 60.65 58.29 1e90 s ILE 303 Cb -0.17 -4.53 -0.01 0.00 -1.06 0.00 0.00 42.46 36.68 1e90 s ILE 303 CO 0.22 -1.15 0.41 -1.00 -0.10 0.00 0.00 174.94 173.32 1e90 s HIS 304 N 1.81 3.21 0.09 3.97 3.76 -1.26 -1.45 115.29 125.42 1e90 s HIS 304 Ca 0.17 0.14 0.08 0.00 -0.15 0.00 0.00 55.06 55.30 1e90 s HIS 304 Cb -0.16 -2.73 -0.04 0.00 1.11 0.00 0.00 32.58 30.76 1e90 s HIS 304 CO -0.02 -0.42 -0.16 -0.51 -0.85 0.00 0.00 174.74 172.78 1e90 s LEU 305 N 2.15 2.76 -0.07 0.89 1.43 0.88 -2.00 118.68 124.72 1e90 s LEU 305 Ca 0.15 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.81 1e90 s LEU 305 Cb -0.16 -1.60 -0.02 0.00 0.03 0.00 0.00 46.19 44.44 1e90 s LEU 305 CO 0.12 0.20 -0.16 0.54 0.23 0.00 0.00 176.35 177.28 1e90 s VAL 306 N -1.09 2.83 -0.67 -1.59 0.11 0.13 -0.47 120.40 119.65 1e90 s VAL 306 Ca 0.18 -0.79 -0.24 0.00 -2.93 0.00 0.00 61.98 58.20 1e90 s VAL 306 Cb -0.11 -2.11 0.06 0.00 -1.53 0.00 0.00 36.38 32.69 1e90 s VAL 306 CO 0.09 0.57 1.04 -0.22 -3.33 0.00 0.00 175.10 173.25 1e90 s LEU 307 N -0.33 4.06 0.42 2.54 2.96 -0.83 -2.09 118.68 125.42 1e90 s LEU 307 Ca 0.02 -0.81 0.03 0.00 -0.22 0.00 0.00 54.13 53.16 1e90 s LEU 307 Cb -0.13 -2.48 -0.03 0.00 0.50 0.00 0.00 46.19 44.05 1e90 s LEU 307 CO 0.02 -1.53 0.10 1.51 -1.32 0.00 0.00 176.35 175.14 1e90 s ASP 308 N 3.64 2.96 0.19 3.68 -4.77 -1.04 -4.90 116.67 116.43 1e90 s ASP 308 Ca 0.26 -1.64 -0.30 0.00 -3.30 0.00 0.00 52.55 47.57 1e90 s ASP 308 Cb -0.14 0.44 -0.08 0.00 -1.09 0.00 0.00 42.92 42.05 1e90 s ASP 308 CO 0.12 -0.88 1.02 -0.89 0.70 0.00 0.00 175.17 175.24 1e90 s THR 309 N -3.16 4.05 0.24 2.11 2.01 -1.26 -1.54 115.64 118.08 1e90 s THR 309 Ca 0.23 1.86 -0.30 0.00 0.31 0.00 0.00 61.69 63.78 1e90 s THR 309 Cb 0.03 -4.18 -0.10 0.00 0.01 0.00 0.00 72.50 68.26 1e90 s THR 309 CO 0.13 0.36 1.42 -2.84 -0.69 0.00 0.00 174.62 173.00 1e90 s PRO 310 N -0.63 4.29 0.55 4.92 0.02 -1.26 -4.90 135.00 137.98 1e90 s PRO 310 Ca 0.46 2.26 -0.22 0.00 0.02 0.00 0.00 61.00 63.52 1e90 s PRO 310 Cb -0.27 -3.12 -0.05 0.00 0.02 0.00 0.00 34.50 31.08 1e90 s PRO 310 CO 0.33 -0.39 1.37 -1.25 -0.33 0.00 0.00 177.00 176.74 1e90 s PRO 311 N -0.33 3.12 -0.38 5.54 0.04 -1.26 -4.94 135.00 136.79 1e90 s PRO 311 Ca 0.59 2.26 -0.28 0.00 0.04 0.00 0.00 61.00 63.61 1e90 s PRO 311 Cb -0.41 -2.26 0.02 0.00 0.04 0.00 0.00 34.50 31.89 1e90 s PRO 311 CO 0.42 -1.21 1.06 0.34 0.04 0.00 0.00 177.00 177.65 1e90 s ASP 312 N -0.92 6.78 0.48 6.66 2.15 -1.26 -4.91 116.67 125.64 1e90 s ASP 312 Ca 0.72 0.75 0.20 0.00 0.43 0.00 0.00 52.55 54.65 1e90 s ASP 312 Cb -0.41 -2.53 1.10 0.00 -0.30 0.00 0.00 42.92 40.78 1e90 s ASP 312 CO 0.49 -1.00 1.57 1.55 -0.17 0.00 0.00 175.17 177.60 1e90 h PRO 313 N 8.56 0.00 0.00 4.34 0.13 -1.92 -0.11 132.00 142.99 1e90 h PRO 313 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1e90 h PRO 313 Cb 1.06 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.19 1e90 h PRO 313 CO 1.05 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.82 1e90 h ALA 314 N 1.25 1.00 0.00 -0.56 0.00 -1.95 -1.57 119.26 117.43 1e90 h ALA 314 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1e90 h ALA 314 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1e90 h ALA 314 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.53 1e90 n LEU 315 N -2.88 0.46 -1.19 0.00 4.77 -0.05 -2.35 117.00 115.76 1e90 n LEU 315 Ca -0.00 0.57 0.12 0.00 -0.03 0.00 0.00 56.01 56.67 1e90 n LEU 315 Cb 0.22 -0.45 0.26 0.00 -2.33 0.00 0.00 43.42 41.12 1e90 n LEU 315 CO 0.23 -0.25 0.73 0.47 -1.33 0.00 0.00 177.39 177.25 1e90 n ASP 316 N -1.96 3.52 -4.51 -1.43 8.00 -0.59 -1.40 116.55 118.18 1e90 n ASP 316 Ca 0.05 -1.99 -0.49 0.00 0.71 0.00 0.00 54.79 53.07 1e90 n ASP 316 Cb 0.32 -0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.05 1e90 n ASP 316 CO 0.00 0.00 0.00 1.21 -0.39 0.00 0.00 177.20 178.02 1e90 n GLU 317 N 1.48 0.63 -3.99 -1.24 2.13 -0.99 -4.04 120.64 114.62 1e90 n GLU 317 Ca 0.21 0.22 -0.35 0.00 0.66 0.00 0.00 57.16 57.90 1e90 n GLU 317 Cb 0.59 -1.51 -0.09 0.00 0.27 0.00 0.00 31.44 30.71 1e90 n GLU 317 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1e90 s VAL 318 N -0.66 4.96 0.96 6.31 1.01 -1.26 -2.31 120.40 129.41 1e90 s VAL 318 Ca 0.69 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 62.57 1e90 s VAL 318 Cb -0.90 -3.20 0.10 0.00 0.00 0.00 0.00 36.38 32.37 1e90 s VAL 318 CO 0.56 0.51 0.72 0.54 0.00 0.00 0.00 175.10 177.42 1e90 n ARG 319 N 3.05 -0.56 -2.13 2.72 1.74 -1.26 -4.93 116.66 115.29 1e90 n ARG 319 Ca -0.17 -0.11 -0.41 0.00 -0.77 0.00 0.00 57.85 56.38 1e90 n ARG 319 Cb 0.53 -2.08 -0.03 0.00 -1.02 0.00 0.00 32.46 29.87 1e90 n ARG 319 CO 0.00 0.00 0.00 -1.59 -1.52 0.00 0.00 177.63 174.52 1e90 s LYS 320 N -4.07 4.34 0.00 5.56 -2.85 -1.26 -5.08 119.74 116.38 1e90 s LYS 320 Ca 0.61 2.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.74 1e90 s LYS 320 Cb -0.22 -3.16 0.00 0.00 -2.06 0.00 0.00 37.83 32.40 1e90 s LYS 320 CO 0.63 -0.32 0.00 -1.91 0.10 0.00 0.00 175.35 173.86 1e90 n GLU 321 N 2.45 3.37 0.00 1.78 4.07 -1.26 -5.20 120.64 125.85 1e90 n GLU 321 Ca 0.06 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.16 1e90 n GLU 321 Cb 0.42 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.80 1e90 n GLU 321 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1e90 h ASP 358 N 0.00 0.00 -2.63 0.00 3.58 -1.98 -3.00 116.42 112.39 1e90 h ASP 358 Ca 0.00 0.00 -0.58 0.00 0.42 0.00 0.00 57.03 56.87 1e90 h ASP 358 Cb 0.00 0.00 0.08 0.00 1.72 0.00 0.00 39.33 41.13 1e90 h ASP 358 CO 0.00 0.00 0.67 -1.14 -2.88 0.00 0.00 179.24 175.89 1e90 n ARG 359 N -2.96 2.11 -2.04 0.28 3.00 -1.26 -4.62 116.66 111.17 1e90 n ARG 359 Ca 0.00 0.75 -0.39 0.00 -0.00 0.00 0.00 57.85 58.21 1e90 n ARG 359 Cb 0.25 -2.44 -0.00 0.00 0.00 0.00 0.00 32.46 30.26 1e90 n ARG 359 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 1e90 s LYS 360 N -0.12 3.94 0.40 -0.14 -0.14 -1.26 -2.23 119.74 120.19 1e90 s LYS 360 Ca 0.70 2.16 -0.26 0.00 -1.36 0.00 0.00 55.97 57.22 1e90 s LYS 360 Cb -0.64 -2.74 -0.09 0.00 -1.68 0.00 0.00 37.83 32.68 1e90 s LYS 360 CO 0.47 -0.52 1.20 0.12 -0.76 0.00 0.00 175.35 175.86 1e90 s PHE 361 N -1.26 3.03 -0.03 3.18 5.36 -0.77 -4.81 117.98 122.67 1e90 s PHE 361 Ca 0.57 1.53 -0.13 0.00 -0.96 0.00 0.00 56.93 57.94 1e90 s PHE 361 Cb -0.38 -3.45 0.02 0.00 -0.34 0.00 0.00 43.02 38.87 1e90 s PHE 361 CO 0.49 -1.47 0.29 -0.98 -1.46 0.00 0.00 175.22 172.09 1e90 s ARG 362 N -2.25 0.59 0.05 10.12 1.70 -1.26 0.05 118.95 127.96 1e90 s ARG 362 Ca 0.57 -0.11 0.03 0.00 -0.47 0.00 0.00 55.73 55.75 1e90 s ARG 362 Cb -0.32 0.26 -0.03 0.00 -0.57 0.00 0.00 34.95 34.29 1e90 s ARG 362 CO 0.41 -0.15 -0.09 0.54 -1.08 0.00 0.00 175.30 174.93 1e90 s VAL 363 N -1.07 0.67 -0.18 4.99 0.11 0.88 -4.48 120.40 121.32 1e90 s VAL 363 Ca -0.11 -1.18 -0.02 0.00 -2.93 0.00 0.00 61.98 57.74 1e90 s VAL 363 Cb -0.05 -0.77 -0.01 0.00 -1.53 0.00 0.00 36.38 34.02 1e90 s VAL 363 CO 0.03 -0.38 -0.10 -0.75 -3.33 0.00 0.00 175.10 170.58 1e90 s LYS 364 N -1.75 3.34 -0.47 1.54 2.20 -0.43 0.30 119.74 124.47 1e90 s LYS 364 Ca -0.07 -0.67 -0.18 0.00 -0.36 0.00 0.00 55.97 54.69 1e90 s LYS 364 Cb -0.09 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.47 1e90 s LYS 364 CO 0.01 -0.04 0.51 0.42 -0.36 0.00 0.00 175.35 175.89 1e90 s ILE 365 N 1.01 5.03 -0.09 5.43 -1.09 -0.80 -1.12 121.20 129.57 1e90 s ILE 365 Ca -0.01 -0.57 -0.25 0.00 -2.23 0.00 0.00 60.65 57.59 1e90 s ILE 365 Cb -0.15 -4.17 -0.29 0.00 -1.58 0.00 0.00 42.46 36.27 1e90 s ILE 365 CO -0.01 -0.63 0.84 0.03 -1.23 0.00 0.00 174.94 173.94 1e90 h ARG 366 N 8.85 0.17 0.00 2.79 3.08 -1.60 0.55 114.38 128.22 1e90 h ARG 366 Ca -0.27 -0.29 0.00 0.00 0.07 0.00 0.00 59.98 59.48 1e90 h ARG 366 Cb 1.10 0.11 0.00 0.00 0.08 0.00 0.00 29.97 31.26 1e90 h ARG 366 CO 0.89 1.14 0.00 0.41 -1.07 0.00 0.00 179.97 181.34 1e90 n GLY 367 N 1.64 0.65 3.26 0.04 0.00 -1.20 -0.36 105.19 109.23 1e90 n GLY 367 Ca -0.12 -1.01 -0.28 0.00 0.00 0.00 0.00 46.02 44.60 1e90 n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1e90 s ILE 368 N -2.00 1.80 -0.07 -0.61 -4.36 -0.49 -1.15 121.20 114.32 1e90 s ILE 368 Ca 0.00 -1.02 0.02 0.00 -0.26 0.00 0.00 60.65 59.39 1e90 s ILE 368 Cb 0.00 -1.50 0.01 0.00 1.25 0.00 0.00 42.46 42.22 1e90 s ILE 368 CO 0.00 0.46 -0.12 -1.81 0.24 0.00 0.00 174.94 173.71 1e90 s ASP 369 N -0.65 1.87 -0.05 4.36 1.11 -0.10 -2.25 116.67 120.96 1e90 s ASP 369 Ca 0.09 -0.31 -0.02 0.00 0.18 0.00 0.00 52.55 52.49 1e90 s ASP 369 Cb -0.09 -0.85 0.03 0.00 1.07 0.00 0.00 42.92 43.08 1e90 s ASP 369 CO -0.00 0.02 0.04 -0.51 1.18 0.00 0.00 175.17 175.89 1e90 s ILE 370 N 0.80 0.09 0.21 0.77 2.07 -1.00 -1.17 121.20 122.96 1e90 s ILE 370 Ca -0.12 0.30 -0.14 0.00 -1.41 0.00 0.00 60.65 59.28 1e90 s ILE 370 Cb -0.15 -0.31 0.22 0.00 0.13 0.00 0.00 42.46 42.35 1e90 s ILE 370 CO 0.02 0.21 1.62 -0.65 -1.91 0.00 0.00 174.94 174.24 1e90 h PRO 371 N 8.37 -0.02 -4.93 3.50 0.11 -1.84 -3.42 132.00 133.77 1e90 h PRO 371 Ca -0.16 0.00 -0.31 0.00 0.11 0.00 0.00 66.00 65.65 1e90 h PRO 371 Cb 1.12 0.00 -0.15 0.00 0.11 0.00 0.00 31.00 32.09 1e90 h PRO 371 CO 0.20 -0.01 -0.69 0.08 -0.21 0.00 0.00 178.00 177.37 1e90 s VAL 372 N -6.21 0.93 0.20 3.15 1.01 -1.26 -4.97 120.40 113.25 1e90 s VAL 372 Ca -0.14 -2.01 0.01 0.00 0.00 0.00 0.00 61.98 59.83 1e90 s VAL 372 Cb 0.19 -1.99 -0.05 0.00 0.00 0.00 0.00 36.38 34.53 1e90 s VAL 372 CO 0.73 -0.61 0.06 -1.48 0.00 0.00 0.00 175.10 173.80 1e90 s LEU 373 N -3.18 1.76 0.77 3.92 2.34 -1.26 -5.04 118.68 117.99 1e90 s LEU 373 Ca 0.20 -1.28 -0.15 0.00 0.06 0.00 0.00 54.13 52.97 1e90 s LEU 373 Cb 0.05 0.10 0.02 0.00 -0.56 0.00 0.00 46.19 45.79 1e90 s LEU 373 CO 0.02 -0.69 0.90 -2.65 -1.06 0.00 0.00 176.35 172.88 1e90 n PRO 374 N -0.29 0.31 0.30 1.48 -0.02 -1.26 -5.00 135.00 130.53 1e90 n PRO 374 Ca -0.03 0.17 -0.13 0.00 -2.02 0.00 0.00 63.50 61.49 1e90 n PRO 374 Cb 0.65 -2.18 -0.06 0.00 -0.02 0.00 0.00 33.50 31.89 1e90 n PRO 374 CO 0.00 0.00 0.00 0.07 1.98 0.00 0.00 175.50 177.55 1e90 h ARG 375 N -0.56 -0.77 -5.46 -0.52 0.11 -2.06 -3.34 114.38 101.78 1e90 h ARG 375 Ca -0.46 0.05 -0.41 0.00 0.10 0.00 0.00 59.98 59.26 1e90 h ARG 375 Cb 1.32 0.18 -0.01 0.00 1.11 0.00 0.00 29.97 32.57 1e90 h ARG 375 CO 0.45 -0.51 1.47 -2.37 0.10 0.00 0.00 179.97 179.10 1e90 n THR 376 N -4.30 -0.06 -0.95 0.08 5.66 -1.26 -4.75 114.28 108.69 1e90 n THR 376 Ca -0.10 -0.63 0.06 0.00 -3.05 0.00 0.00 64.05 60.34 1e90 n THR 376 Cb 0.33 -2.25 0.35 0.00 -1.55 0.00 0.00 70.33 67.21 1e90 n THR 376 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1e90 n ALA 377 N 15.13 3.68 -1.42 1.79 0.00 -1.26 -4.43 120.51 134.01 1e90 n ALA 377 Ca 0.44 -2.09 -0.17 0.00 0.00 0.00 0.00 53.44 51.61 1e90 n ALA 377 Cb 0.44 -1.00 0.16 0.00 0.00 0.00 0.00 19.45 19.04 1e90 n ALA 377 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1e90 n ASP 378 N 0.20 3.89 -4.79 0.00 8.00 -1.26 -4.91 116.55 117.69 1e90 n ASP 378 Ca 0.27 -3.73 -0.30 0.00 0.71 0.00 0.00 54.79 51.74 1e90 n ASP 378 Cb 1.12 -0.73 0.10 0.00 -0.02 0.00 0.00 41.12 41.59 1e90 n ASP 378 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1e90 s LEU 379 N -3.39 2.58 0.04 0.64 1.43 -1.26 -4.92 118.68 113.79 1e90 s LEU 379 Ca 0.52 1.38 0.04 0.00 -1.03 0.00 0.00 54.13 55.04 1e90 s LEU 379 Cb 0.45 -3.97 -0.02 0.00 0.03 0.00 0.00 46.19 42.67 1e90 s LEU 379 CO 0.04 -2.08 -0.11 0.28 0.23 0.00 0.00 176.35 174.70 1e90 s THR 380 N -3.09 0.87 0.05 5.49 -1.32 -1.26 -0.64 115.64 115.74 1e90 s THR 380 Ca 0.61 -0.96 -0.11 0.00 -1.21 0.00 0.00 61.69 60.02 1e90 s THR 380 Cb -0.15 -0.83 0.01 0.00 -1.51 0.00 0.00 72.50 70.02 1e90 s THR 380 CO 0.55 -0.11 0.24 0.68 -2.21 0.00 0.00 174.62 173.76 1e90 s VAL 381 N -0.95 0.10 0.19 5.08 -7.23 0.73 -3.96 120.40 114.35 1e90 s VAL 381 Ca -0.02 -0.85 -0.08 0.00 -1.81 0.00 0.00 61.98 59.22 1e90 s VAL 381 Cb -0.08 -0.99 -0.01 0.00 0.56 0.00 0.00 36.38 35.86 1e90 s VAL 381 CO 0.01 -0.47 0.29 0.72 -0.31 0.00 0.00 175.10 175.34 1e90 s PHE 382 N -2.78 0.53 -0.20 2.82 -0.71 -0.96 -1.54 117.98 115.16 1e90 s PHE 382 Ca -0.03 -0.88 -0.05 0.00 -1.04 0.00 0.00 56.93 54.93 1e90 s PHE 382 Cb -0.00 -0.10 -0.02 0.00 -1.21 0.00 0.00 43.02 41.68 1e90 s PHE 382 CO -0.05 -0.76 -0.00 0.08 -1.34 0.00 0.00 175.22 173.15 1e90 s VAL 383 N -4.01 3.90 -0.23 -2.49 1.01 -1.26 -2.20 120.40 115.11 1e90 s VAL 383 Ca 0.22 -0.33 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 1e90 s VAL 383 Cb 0.03 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.61 1e90 s VAL 383 CO 0.04 0.43 0.09 -0.70 0.00 0.00 0.00 175.10 174.96 1e90 s GLU 384 N 1.01 3.81 -0.20 2.72 2.12 -0.05 -2.46 118.70 125.66 1e90 s GLU 384 Ca 0.02 -0.40 -0.04 0.00 0.36 0.00 0.00 54.97 54.90 1e90 s GLU 384 Cb -0.14 -3.35 -0.02 0.00 0.26 0.00 0.00 34.13 30.88 1e90 s GLU 384 CO 0.02 -0.04 -0.03 0.00 -0.54 0.00 0.00 175.26 174.67 1e90 s ALA 385 N 1.24 2.89 -0.01 6.30 0.00 0.56 -1.00 121.76 131.74 1e90 s ALA 385 Ca 0.05 -1.06 0.07 0.00 0.00 0.00 0.00 51.96 51.02 1e90 s ALA 385 Cb -0.14 -1.69 -0.02 0.00 0.00 0.00 0.00 23.12 21.26 1e90 s ALA 385 CO 0.04 -0.25 -0.22 -0.80 0.00 0.00 0.00 175.76 174.54 1e90 s ASN 386 N 1.17 2.54 -0.82 0.00 0.01 -0.65 -1.58 114.94 115.60 1e90 s ASN 386 Ca 0.02 -0.41 -0.13 0.00 -0.71 0.00 0.00 52.86 51.64 1e90 s ASN 386 Cb -0.14 -0.27 0.22 0.00 0.41 0.00 0.00 41.25 41.46 1e90 s ASN 386 CO -0.00 0.25 0.76 -0.63 -1.51 0.00 0.00 177.10 175.97 1e90 s ILE 387 N -0.54 5.48 0.54 0.60 1.01 -1.01 -0.63 121.20 126.66 1e90 s ILE 387 Ca 0.08 -2.56 -0.04 0.00 0.00 0.00 0.00 60.65 58.14 1e90 s ILE 387 Cb -0.08 -4.39 0.00 0.00 0.01 0.00 0.00 42.46 38.00 1e90 s ILE 387 CO -0.00 -1.02 0.83 -1.10 0.00 0.00 0.00 174.94 173.64 1e90 s GLN 388 N 0.08 3.00 -0.30 2.79 -0.21 0.17 -1.29 119.66 123.89 1e90 s GLN 388 Ca 0.18 -0.14 -0.16 0.00 0.02 0.00 0.00 55.36 55.26 1e90 s GLN 388 Cb -0.11 -2.36 0.18 0.00 1.00 0.00 0.00 33.01 31.72 1e90 s GLN 388 CO -0.09 -0.54 1.13 -0.47 -2.12 0.00 0.00 175.29 173.20 1e90 s TYR 389 N -2.85 -0.38 -1.00 0.91 5.04 -0.81 -0.99 117.35 117.28 1e90 s TYR 389 Ca 0.52 0.54 0.00 0.00 -2.44 0.00 0.00 57.07 55.69 1e90 s TYR 389 Cb -0.10 0.19 0.00 0.00 0.35 0.00 0.00 41.96 42.39 1e90 s TYR 389 CO 0.43 -0.20 0.00 0.41 -1.34 0.00 0.00 175.55 174.85 1e90 n GLY 390 N 5.05 0.16 3.14 8.97 0.00 -1.26 -2.57 105.19 118.68 1e90 n GLY 390 Ca -0.08 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.51 1e90 n GLY 390 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1e90 n GLN 391 N -2.19 -0.08 -4.50 1.61 7.27 -1.24 -4.36 117.38 113.89 1e90 n GLN 391 Ca -0.13 0.02 -0.33 0.00 0.07 0.00 0.00 57.00 56.63 1e90 n GLN 391 Cb 0.56 -3.14 -0.10 0.00 2.41 0.00 0.00 30.24 29.96 1e90 n GLN 391 CO 0.00 0.00 0.00 1.14 0.07 0.00 0.00 177.06 178.27 1e90 s GLN 392 N -0.33 2.71 -0.18 3.69 -2.07 -1.06 -5.07 119.66 117.34 1e90 s GLN 392 Ca 0.00 -0.60 -0.22 0.00 -1.82 0.00 0.00 55.36 52.71 1e90 s GLN 392 Cb 0.00 -2.59 -0.02 0.00 -1.09 0.00 0.00 33.01 29.31 1e90 s GLN 392 CO 0.00 0.64 0.70 0.14 -1.32 0.00 0.00 175.29 175.45 1e90 s VAL 393 N -0.92 4.97 0.05 3.63 -7.23 -1.26 -1.92 120.40 117.72 1e90 s VAL 393 Ca 0.15 1.35 0.05 0.00 -1.81 0.00 0.00 61.98 61.72 1e90 s VAL 393 Cb -0.11 -4.02 -0.24 0.00 0.56 0.00 0.00 36.38 32.58 1e90 s VAL 393 CO 0.05 0.08 1.04 -0.07 -0.31 0.00 0.00 175.10 175.89 1e90 h LEU 394 N 8.21 0.14 -7.56 1.32 3.38 -1.54 -3.48 115.31 115.77 1e90 h LEU 394 Ca -0.31 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.45 1e90 h LEU 394 Cb 1.14 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.73 1e90 h LEU 394 CO 0.80 1.14 -0.02 0.00 0.09 0.00 0.00 178.44 180.45 1e90 s GLN 396 N -3.85 0.62 0.04 0.00 0.74 -1.26 -2.39 119.66 113.56 1e90 s GLN 396 Ca 0.07 0.48 -0.07 0.00 0.05 0.00 0.00 55.36 55.89 1e90 s GLN 396 Cb 0.00 0.30 -0.00 0.00 1.10 0.00 0.00 33.01 34.41 1e90 s GLN 396 CO -0.06 -0.11 0.14 1.03 -0.55 0.00 0.00 175.29 175.74 1e90 s ARG 397 N -0.15 0.64 0.27 1.67 1.81 -0.62 -5.01 118.95 117.57 1e90 s ARG 397 Ca -0.03 -0.70 0.03 0.00 -1.72 0.00 0.00 55.73 53.31 1e90 s ARG 397 Cb -0.03 0.26 -0.03 0.00 -0.45 0.00 0.00 34.95 34.69 1e90 s ARG 397 CO 0.02 -0.17 0.23 1.03 -0.68 0.00 0.00 175.30 175.73 1e90 s ARG 398 N -2.59 1.52 0.45 3.54 0.52 -1.26 -0.33 118.95 120.80 1e90 s ARG 398 Ca -0.05 -1.82 0.05 0.00 -0.52 0.00 0.00 55.73 53.38 1e90 s ARG 398 Cb -0.01 0.31 -0.05 0.00 0.52 0.00 0.00 34.95 35.72 1e90 s ARG 398 CO -0.04 -0.55 0.02 0.95 0.02 0.00 0.00 175.30 175.71 1e90 s THR 399 N -3.74 1.71 0.27 0.02 -4.23 -1.03 -4.99 115.64 103.65 1e90 s THR 399 Ca 0.39 -1.97 -0.29 0.00 -1.18 0.00 0.00 61.69 58.64 1e90 s THR 399 Cb 0.04 -2.68 -0.10 0.00 1.34 0.00 0.00 72.50 71.11 1e90 s THR 399 CO 0.20 0.00 1.27 -0.94 -0.54 0.00 0.00 174.62 174.61 1e90 s SER 400 N -3.79 6.92 0.34 3.99 1.04 -1.26 -4.64 113.70 116.29 1e90 s SER 400 Ca 0.25 2.50 -0.28 0.00 0.48 0.00 0.00 55.95 58.90 1e90 s SER 400 Cb 0.06 -2.63 -0.10 0.00 0.10 0.00 0.00 66.02 63.45 1e90 s SER 400 CO 0.13 -0.45 1.30 -2.84 0.98 0.00 0.00 173.24 172.35 1e90 s PRO 401 N -1.12 4.32 0.16 4.02 0.02 -1.26 -4.73 135.00 136.41 1e90 s PRO 401 Ca 0.51 2.19 -0.02 0.00 0.02 0.00 0.00 61.00 63.70 1e90 s PRO 401 Cb -0.37 -3.03 -0.04 0.00 0.02 0.00 0.00 34.50 31.08 1e90 s PRO 401 CO 0.45 -0.21 0.11 0.15 -0.33 0.00 0.00 177.00 177.17 1e90 s LYS 402 N -1.84 1.06 0.31 5.54 1.02 -0.59 -4.94 119.74 120.30 1e90 s LYS 402 Ca 0.50 -1.48 -0.29 0.00 0.02 0.00 0.00 55.97 54.71 1e90 s LYS 402 Cb -0.39 0.27 -0.10 0.00 -0.52 0.00 0.00 37.83 37.08 1e90 s LYS 402 CO 0.52 -0.33 1.28 -1.25 -0.92 0.00 0.00 175.35 174.65 1e90 s PRO 403 N -4.08 4.40 -0.56 -1.68 0.04 -1.26 -0.19 135.00 131.66 1e90 s PRO 403 Ca 0.29 2.15 -0.28 0.00 0.04 0.00 0.00 61.00 63.20 1e90 s PRO 403 Cb 0.07 -3.10 0.02 0.00 0.04 0.00 0.00 34.50 31.53 1e90 s PRO 403 CO 0.06 -0.14 1.32 0.12 0.04 0.00 0.00 177.00 178.40 1e90 s PHE 404 N -1.04 2.42 0.37 0.56 5.36 0.18 -4.74 117.98 121.10 1e90 s PHE 404 Ca 0.49 0.46 0.05 0.00 -0.96 0.00 0.00 56.93 56.97 1e90 s PHE 404 Cb -0.38 -4.44 -0.07 0.00 -0.34 0.00 0.00 43.02 37.79 1e90 s PHE 404 CO 0.50 -1.82 0.04 -0.08 -1.46 0.00 0.00 175.22 172.40 1e90 s THR 405 N 5.57 1.49 -0.05 0.12 -1.32 -1.26 -4.80 115.64 115.39 1e90 s THR 405 Ca 0.49 -2.00 0.26 0.00 -1.21 0.00 0.00 61.69 59.23 1e90 s THR 405 Cb -0.10 -2.83 0.26 0.00 -1.51 0.00 0.00 72.50 68.33 1e90 s THR 405 CO 0.26 0.00 1.80 -0.33 -2.21 0.00 0.00 174.62 174.14 1e90 h GLU 406 N 1.92 0.00 -2.69 7.08 5.08 -1.93 -3.40 114.58 120.64 1e90 h GLU 406 Ca -0.42 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.81 1e90 h GLU 406 Cb 1.25 0.00 -0.27 0.00 0.50 0.00 0.00 28.75 30.22 1e90 h GLU 406 CO 0.74 0.00 -0.35 -2.00 -1.00 0.00 0.00 179.01 176.40 1e90 s GLU 407 N -3.65 0.34 -0.16 2.33 2.12 -1.26 -2.37 118.70 116.06 1e90 s GLU 407 Ca -0.02 0.79 -0.01 0.00 0.36 0.00 0.00 54.97 56.08 1e90 s GLU 407 Cb 0.08 0.02 0.04 0.00 0.26 0.00 0.00 34.13 34.53 1e90 s GLU 407 CO 0.25 -0.18 -0.01 0.08 -0.54 0.00 0.00 175.26 174.86 1e90 s VAL 408 N 1.63 0.76 0.13 3.70 1.01 -0.95 -5.02 120.40 121.67 1e90 s VAL 408 Ca -0.08 -0.45 0.02 0.00 0.00 0.00 0.00 61.98 61.47 1e90 s VAL 408 Cb -0.09 -1.05 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 1e90 s VAL 408 CO -0.12 0.04 0.27 -0.76 0.00 0.00 0.00 175.10 174.53 1e90 s LEU 409 N 1.78 4.34 0.00 3.92 1.43 -1.26 -1.40 118.68 127.49 1e90 s LEU 409 Ca 0.01 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.29 1e90 s LEU 409 Cb -0.15 -2.91 0.00 0.00 0.03 0.00 0.00 46.19 43.15 1e90 s LEU 409 CO -0.07 0.07 0.00 0.79 0.23 0.00 0.00 176.35 177.37 1e90 n TRP 410 N -0.41 0.00 -3.98 0.29 8.01 0.52 -4.94 117.44 116.93 1e90 n TRP 410 Ca -0.07 0.00 -0.32 0.00 -1.31 0.00 0.00 57.50 55.80 1e90 n TRP 410 Cb 0.53 0.41 0.00 0.00 -2.01 0.00 0.00 31.31 30.24 1e90 n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 1e90 n ASN 411 N -2.36 -4.10 -4.68 -0.99 5.15 0.14 -4.93 115.26 103.49 1e90 n ASN 411 Ca 0.00 -0.83 -0.35 0.00 -0.60 0.00 0.00 54.58 52.80 1e90 n ASN 411 Cb 0.02 -3.31 -0.09 0.00 -0.53 0.00 0.00 39.78 35.86 1e90 n ASN 411 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 1e90 s VAL 412 N -3.24 4.84 -0.09 3.44 1.01 -0.89 -4.93 120.40 120.54 1e90 s VAL 412 Ca 0.67 -0.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.37 1e90 s VAL 412 Cb -0.35 -3.15 -0.02 0.00 0.00 0.00 0.00 36.38 32.85 1e90 s VAL 412 CO 0.83 0.50 0.85 0.26 0.00 0.00 0.00 175.10 177.54 1e90 s TRP 413 N 0.02 3.54 -0.29 5.22 0.52 -1.26 -1.90 118.94 124.78 1e90 s TRP 413 Ca 0.06 1.40 -0.05 0.00 0.02 0.00 0.00 56.10 57.53 1e90 s TRP 413 Cb -0.12 -3.00 0.02 0.00 -1.15 0.00 0.00 33.47 29.22 1e90 s TRP 413 CO 0.01 -0.08 0.04 -0.51 0.02 0.00 0.00 176.95 176.42 1e90 s LEU 414 N 1.44 3.72 -0.25 2.99 1.43 0.15 -4.98 118.68 123.18 1e90 s LEU 414 Ca 0.43 -0.84 -0.07 0.00 -1.03 0.00 0.00 54.13 52.62 1e90 s LEU 414 Cb -0.18 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 44.21 1e90 s LEU 414 CO 0.19 -0.19 0.05 -0.70 0.23 0.00 0.00 176.35 175.92 1e90 s GLU 415 N 1.42 3.55 0.81 1.70 2.12 -1.26 -0.08 118.70 126.96 1e90 s GLU 415 Ca 0.01 -0.54 -0.09 0.00 0.36 0.00 0.00 54.97 54.71 1e90 s GLU 415 Cb -0.17 -3.27 0.13 0.00 0.26 0.00 0.00 34.13 31.07 1e90 s GLU 415 CO 0.00 -0.21 1.13 -0.06 -0.54 0.00 0.00 175.26 175.58 1e90 s PHE 416 N 1.58 2.16 -0.06 5.30 0.40 0.11 -4.98 117.98 122.49 1e90 s PHE 416 Ca 0.06 0.26 0.13 0.00 -0.60 0.00 0.00 56.93 56.78 1e90 s PHE 416 Cb -0.15 -3.50 -0.23 0.00 0.51 0.00 0.00 43.02 39.65 1e90 s PHE 416 CO 0.02 -1.94 0.59 -1.13 0.70 0.00 0.00 175.22 173.46 1e90 n SER 417 N -3.23 0.78 -4.77 1.36 3.41 -1.26 -4.24 113.62 105.67 1e90 n SER 417 Ca 0.12 0.36 -0.40 0.00 -0.26 0.00 0.00 58.87 58.69 1e90 n SER 417 Cb 0.60 0.06 -0.02 0.00 -0.26 0.00 0.00 64.21 64.59 1e90 n SER 417 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1e90 s ILE 418 N -2.58 2.81 0.42 -1.33 2.07 -1.26 -4.80 121.20 116.52 1e90 s ILE 418 Ca -0.05 0.78 -0.21 0.00 -1.41 0.00 0.00 60.65 59.75 1e90 s ILE 418 Cb 0.08 -3.48 -0.11 0.00 0.13 0.00 0.00 42.46 39.08 1e90 s ILE 418 CO 0.82 0.16 0.95 -0.54 -1.91 0.00 0.00 174.94 174.43 1e90 s LYS 419 N -1.91 4.25 0.43 3.50 1.02 -1.26 -1.84 119.74 123.93 1e90 s LYS 419 Ca 0.51 1.14 0.17 0.00 0.02 0.00 0.00 55.97 57.82 1e90 s LYS 419 Cb -0.38 -2.23 1.10 0.00 -0.52 0.00 0.00 37.83 35.80 1e90 s LYS 419 CO 0.50 -0.02 1.90 0.82 -0.92 0.00 0.00 175.35 177.63 1e90 h ILE 420 N 1.96 0.75 0.00 2.17 2.04 -1.43 0.29 117.51 123.28 1e90 h ILE 420 Ca -0.49 -0.13 -0.01 0.00 1.00 0.00 0.00 64.86 65.24 1e90 h ILE 420 Cb 1.18 0.34 -0.00 0.00 -0.74 0.00 0.00 36.82 37.60 1e90 h ILE 420 CO 0.61 0.07 -0.03 0.07 0.00 0.00 0.00 178.15 178.87 1e90 h LYS 421 N 0.38 0.00 0.00 2.37 2.10 -1.82 -3.12 116.57 116.47 1e90 h LYS 421 Ca 0.40 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.05 1e90 h LYS 421 Cb 0.98 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.31 1e90 h LYS 421 CO -0.12 0.03 -0.50 -0.44 -2.00 0.00 0.00 179.45 176.41 1e90 h ASP 422 N 0.00 0.00 -1.86 7.07 3.32 -1.26 -3.41 116.42 120.27 1e90 h ASP 422 Ca -0.00 -0.02 -0.63 0.00 0.02 0.00 0.00 57.03 56.40 1e90 h ASP 422 Cb 0.66 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.22 1e90 h ASP 422 CO 0.00 0.01 1.18 0.18 -1.72 0.00 0.00 179.24 178.89 1e90 n LEU 423 N -2.75 3.19 -4.78 1.55 4.77 -1.18 -4.04 117.00 113.76 1e90 n LEU 423 Ca 0.02 0.82 -0.37 0.00 -0.03 0.00 0.00 56.01 56.45 1e90 n LEU 423 Cb 0.52 -1.36 -0.06 0.00 -2.33 0.00 0.00 43.42 40.19 1e90 n LEU 423 CO 0.37 -0.23 0.60 -2.16 -1.33 0.00 0.00 177.39 174.64 1e90 s PRO 424 N 4.61 4.56 -0.15 3.23 0.04 -1.26 -4.98 135.00 141.05 1e90 s PRO 424 Ca 0.96 1.26 -0.29 0.00 0.04 0.00 0.00 61.00 62.97 1e90 s PRO 424 Cb -0.70 -2.90 -0.05 0.00 0.04 0.00 0.00 34.50 30.89 1e90 s PRO 424 CO 0.50 0.34 1.89 0.21 0.04 0.00 0.00 177.00 179.99 1e90 s LYS 425 N -1.89 3.69 0.00 4.56 2.20 -1.26 -1.49 119.74 125.56 1e90 s LYS 425 Ca 0.47 2.03 0.00 0.00 -0.36 0.00 0.00 55.97 58.11 1e90 s LYS 425 Cb -0.19 -4.17 0.00 0.00 -1.51 0.00 0.00 37.83 31.95 1e90 s LYS 425 CO 0.24 -1.44 0.00 0.41 -0.36 0.00 0.00 175.35 174.20 1e90 n GLY 426 N 4.96 1.01 3.77 5.54 0.00 -1.26 -4.63 105.19 114.57 1e90 n GLY 426 Ca 0.22 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.86 1e90 n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e90 s ALA 427 N -1.96 3.23 -0.01 4.61 0.00 -0.55 -4.85 121.76 122.23 1e90 s ALA 427 Ca 0.00 0.99 0.05 0.00 0.00 0.00 0.00 51.96 53.00 1e90 s ALA 427 Cb 0.00 -3.38 -0.03 0.00 0.00 0.00 0.00 23.12 19.71 1e90 s ALA 427 CO 0.00 -0.48 -0.17 -0.51 0.00 0.00 0.00 175.76 174.60 1e90 s LEU 428 N -2.26 2.62 -0.69 0.00 1.43 -0.16 -2.82 118.68 116.80 1e90 s LEU 428 Ca 0.54 -0.32 -0.15 0.00 -1.03 0.00 0.00 54.13 53.17 1e90 s LEU 428 Cb -0.32 -1.53 0.17 0.00 0.03 0.00 0.00 46.19 44.54 1e90 s LEU 428 CO 0.40 0.30 0.66 -0.22 0.23 0.00 0.00 176.35 177.73 1e90 s LEU 429 N -1.03 6.37 -0.53 1.79 2.96 0.22 -0.65 118.68 127.81 1e90 s LEU 429 Ca 0.13 -2.20 -0.23 0.00 -0.22 0.00 0.00 54.13 51.61 1e90 s LEU 429 Cb -0.11 -2.22 0.05 0.00 0.50 0.00 0.00 46.19 44.41 1e90 s LEU 429 CO 0.03 -0.75 0.83 0.21 -1.32 0.00 0.00 176.35 175.35 1e90 s ASN 430 N 2.92 6.31 -0.21 3.68 3.84 0.20 -2.47 114.94 129.22 1e90 s ASN 430 Ca 0.12 -0.51 -0.17 0.00 0.21 0.00 0.00 52.86 52.51 1e90 s ASN 430 Cb -0.19 -2.39 -0.04 0.00 -0.55 0.00 0.00 41.25 38.08 1e90 s ASN 430 CO -0.03 -1.10 0.44 -0.76 -2.79 0.00 0.00 177.10 172.85 1e90 s LEU 431 N 3.50 4.14 0.16 3.21 1.43 -0.57 -1.64 118.68 128.92 1e90 s LEU 431 Ca 0.26 0.54 0.07 0.00 -1.03 0.00 0.00 54.13 53.97 1e90 s LEU 431 Cb -0.15 -2.57 -0.04 0.00 0.03 0.00 0.00 46.19 43.46 1e90 s LEU 431 CO 0.17 -0.12 -0.15 -1.10 0.23 0.00 0.00 176.35 175.38 1e90 s GLN 432 N 1.50 1.21 -0.11 1.70 -0.21 -0.17 -1.49 119.66 122.09 1e90 s GLN 432 Ca 0.20 -1.42 0.02 0.00 0.02 0.00 0.00 55.36 54.18 1e90 s GLN 432 Cb -0.15 -1.09 0.01 0.00 1.00 0.00 0.00 33.01 32.78 1e90 s GLN 432 CO 0.09 0.20 -0.16 0.42 -2.12 0.00 0.00 175.29 173.72 1e90 s ILE 433 N -2.46 1.57 0.01 1.08 -1.09 0.66 -0.87 121.20 120.10 1e90 s ILE 433 Ca 0.16 -0.68 0.03 0.00 -2.23 0.00 0.00 60.65 57.93 1e90 s ILE 433 Cb -0.03 -1.43 -0.03 0.00 -1.58 0.00 0.00 42.46 39.38 1e90 s ILE 433 CO 0.05 0.45 -0.05 -0.31 -1.23 0.00 0.00 174.94 173.86 1e90 s TYR 434 N 0.98 2.93 -0.08 3.97 2.02 -0.94 -0.60 117.35 125.63 1e90 s TYR 434 Ca -0.06 -0.02 0.12 0.00 -0.37 0.00 0.00 57.07 56.74 1e90 s TYR 434 Cb -0.15 -1.61 -0.17 0.00 -0.40 0.00 0.00 41.96 39.63 1e90 s TYR 434 CO -0.02 0.40 0.14 0.00 -1.57 0.00 0.00 175.55 174.50 1e90 n GLN 459 N -2.26 -3.82 -2.38 0.00 7.27 -1.26 -4.79 117.38 110.15 1e90 n GLN 459 Ca -0.13 2.78 -0.41 0.00 0.07 0.00 0.00 57.00 59.31 1e90 n GLN 459 Cb 0.68 -3.00 -0.04 0.00 2.41 0.00 0.00 30.24 30.30 1e90 n GLN 459 CO 0.00 0.00 0.00 -1.17 0.07 0.00 0.00 177.06 175.96 1e90 s LEU 460 N -1.34 4.49 0.00 1.69 2.96 -1.26 -4.93 118.68 120.29 1e90 s LEU 460 Ca 0.00 2.32 0.00 0.00 -0.22 0.00 0.00 54.13 56.23 1e90 s LEU 460 Cb 0.00 -3.62 0.00 0.00 0.50 0.00 0.00 46.19 43.07 1e90 s LEU 460 CO 0.00 -0.30 0.00 0.18 -1.32 0.00 0.00 176.35 174.91 1e90 n LEU 461 N 1.70 0.73 -4.25 -0.68 4.77 0.23 -4.77 117.00 114.73 1e90 n LEU 461 Ca 0.01 0.00 -0.25 0.00 -0.03 0.00 0.00 56.01 55.75 1e90 n LEU 461 Cb 0.44 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.39 1e90 n LEU 461 CO 0.56 -0.00 -0.52 -0.31 -1.33 0.00 0.00 177.39 175.79 1e90 s TYR 462 N -1.70 1.76 -0.07 -1.77 2.02 -1.19 0.35 117.35 116.75 1e90 s TYR 462 Ca 0.00 -0.38 -0.23 0.00 -0.37 0.00 0.00 57.07 56.09 1e90 s TYR 462 Cb 0.00 -1.03 0.05 0.00 -0.40 0.00 0.00 41.96 40.58 1e90 s TYR 462 CO 0.00 0.11 0.53 1.52 -1.57 0.00 0.00 175.55 176.14 1e90 s TYR 463 N -0.87 -0.49 -0.04 2.71 -0.85 -0.68 -0.24 117.35 116.89 1e90 s TYR 463 Ca 0.07 0.90 -0.19 0.00 -0.52 0.00 0.00 57.07 57.33 1e90 s TYR 463 Cb -0.09 0.27 0.04 0.00 0.38 0.00 0.00 41.96 42.55 1e90 s TYR 463 CO 0.02 -0.48 0.43 0.54 -1.52 0.00 0.00 175.55 174.55 1e90 s VAL 464 N -0.96 0.04 0.19 -3.49 0.11 -0.55 -1.01 120.40 114.72 1e90 s VAL 464 Ca -0.10 -0.29 0.11 0.00 -2.93 0.00 0.00 61.98 58.78 1e90 s VAL 464 Cb -0.03 -0.73 -0.04 0.00 -1.53 0.00 0.00 36.38 34.06 1e90 s VAL 464 CO 0.06 -0.16 -0.24 0.20 -3.33 0.00 0.00 175.10 171.63 1e90 s ASN 465 N -1.12 3.41 -0.07 3.54 0.01 -1.26 -1.51 114.94 117.95 1e90 s ASN 465 Ca -0.11 -0.86 -0.03 0.00 -0.71 0.00 0.00 52.86 51.15 1e90 s ASN 465 Cb -0.04 -0.25 0.04 0.00 0.41 0.00 0.00 41.25 41.42 1e90 s ASN 465 CO 0.05 0.12 0.15 -0.22 -1.51 0.00 0.00 177.10 175.70 1e90 s LEU 466 N -2.62 0.52 -0.16 0.60 2.96 -1.03 -4.75 118.68 114.19 1e90 s LEU 466 Ca 0.20 0.31 -0.29 0.00 -0.22 0.00 0.00 54.13 54.13 1e90 s LEU 466 Cb -0.08 0.34 -0.02 0.00 0.50 0.00 0.00 46.19 46.93 1e90 s LEU 466 CO 0.09 -0.17 1.30 -0.76 -1.32 0.00 0.00 176.35 175.50 1e90 s LEU 467 N 1.45 4.18 0.25 -0.68 1.43 -1.26 -0.61 118.68 123.44 1e90 s LEU 467 Ca -0.06 1.72 0.01 0.00 -1.03 0.00 0.00 54.13 54.77 1e90 s LEU 467 Cb -0.12 -3.54 0.31 0.00 0.03 0.00 0.00 46.19 42.88 1e90 s LEU 467 CO -0.06 -0.79 1.65 -0.07 0.23 0.00 0.00 176.35 177.31 1e90 h LEU 468 N 9.84 0.51 -8.44 1.79 3.38 -1.89 -3.40 115.31 117.12 1e90 h LEU 468 Ca -0.28 -0.21 -0.66 0.00 0.09 0.00 0.00 57.88 56.82 1e90 h LEU 468 Cb 1.11 -0.14 -0.26 0.00 0.09 0.00 0.00 40.66 41.45 1e90 h LEU 468 CO 0.97 0.83 -0.67 -0.63 0.09 0.00 0.00 178.44 179.03 1e90 s ILE 469 N -4.32 3.75 0.94 1.22 1.09 -1.26 -0.24 121.20 122.38 1e90 s ILE 469 Ca -0.07 -0.52 -0.14 0.00 -1.10 0.00 0.00 60.65 58.82 1e90 s ILE 469 Cb 0.13 -2.81 0.17 0.00 -1.06 0.00 0.00 42.46 38.89 1e90 s ILE 469 CO 0.81 0.28 1.21 1.51 -0.10 0.00 0.00 174.94 178.64 1e90 s ASP 470 N 1.51 3.25 0.19 3.58 1.47 -0.72 -4.67 116.67 121.29 1e90 s ASP 470 Ca 0.04 0.62 0.11 0.00 1.18 0.00 0.00 52.55 54.51 1e90 s ASP 470 Cb -0.16 -0.94 0.62 0.00 -0.34 0.00 0.00 42.92 42.10 1e90 s ASP 470 CO 0.00 -2.68 1.30 0.00 0.68 0.00 0.00 175.17 174.48 1e90 n HIS 471 N -3.79 0.39 0.71 2.11 -0.00 -1.26 -0.82 115.22 112.55 1e90 n HIS 471 Ca 0.11 0.20 0.10 0.00 -0.00 0.00 0.00 57.72 58.13 1e90 n HIS 471 Cb 0.60 -0.76 0.10 0.00 -0.00 0.00 0.00 29.99 29.93 1e90 n HIS 471 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.34 176.88 1e90 n ARG 472 N -1.89 1.88 -0.91 -1.40 1.74 -1.26 -4.96 116.66 109.86 1e90 n ARG 472 Ca -0.01 -1.78 0.00 0.00 -0.77 0.00 0.00 57.85 55.30 1e90 n ARG 472 Cb 0.10 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.15 1e90 n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1e90 n PHE 473 N 1.15 0.00 -3.17 -1.55 3.01 0.00 -4.96 117.46 111.94 1e90 n PHE 473 Ca 0.13 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.32 1e90 n PHE 473 Cb 0.51 -0.27 -0.02 0.00 -0.01 0.00 0.00 39.48 39.70 1e90 n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1e90 s LEU 474 N 0.00 3.92 -0.21 4.37 1.43 -1.26 -1.12 118.68 125.81 1e90 s LEU 474 Ca 0.00 0.67 -0.21 0.00 -1.03 0.00 0.00 54.13 53.56 1e90 s LEU 474 Cb 0.00 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.66 1e90 s LEU 474 CO 0.00 -0.34 0.64 -0.22 0.23 0.00 0.00 176.35 176.66 1e90 s LEU 475 N -4.19 4.12 0.25 1.79 2.96 -0.89 -1.75 118.68 120.98 1e90 s LEU 475 Ca 0.43 0.82 -0.31 0.00 -0.22 0.00 0.00 54.13 54.85 1e90 s LEU 475 Cb -0.10 -2.90 -0.13 0.00 0.50 0.00 0.00 46.19 43.56 1e90 s LEU 475 CO 0.36 -0.31 1.53 -1.14 -1.32 0.00 0.00 176.35 175.48 1e90 n ARG 476 N 5.26 2.40 -4.02 1.98 0.63 0.67 -4.84 116.66 118.74 1e90 n ARG 476 Ca -0.01 0.86 -0.15 0.00 -0.92 0.00 0.00 57.85 57.63 1e90 n ARG 476 Cb 0.49 -2.60 -0.03 0.00 0.45 0.00 0.00 32.46 30.78 1e90 n ARG 476 CO 0.00 0.00 0.00 -2.39 -2.51 0.00 0.00 177.63 172.73 1e90 n HIS 477 N 2.33 -1.51 0.00 -0.14 1.44 -1.26 -4.83 115.22 111.25 1e90 n HIS 477 Ca 0.11 -2.38 0.00 0.00 -2.01 0.00 0.00 57.72 53.44 1e90 n HIS 477 Cb 0.34 0.58 0.00 0.00 0.12 0.00 0.00 29.99 31.02 1e90 n HIS 477 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 1e90 n GLY 478 N -0.59 -0.43 3.81 -1.39 0.00 -1.17 -4.87 105.19 100.56 1e90 n GLY 478 Ca 0.00 -1.82 -0.37 0.00 0.00 0.00 0.00 46.02 43.82 1e90 n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1e90 s GLU 479 N -1.05 4.23 -0.00 1.61 0.41 -1.26 -2.33 118.70 120.30 1e90 s GLU 479 Ca 0.00 0.79 0.01 0.00 -0.41 0.00 0.00 54.97 55.36 1e90 s GLU 479 Cb 0.00 -3.09 0.00 0.00 -1.78 0.00 0.00 34.13 29.26 1e90 s GLU 479 CO 0.00 0.53 -0.02 0.71 -0.49 0.00 0.00 175.26 176.00 1e90 s TYR 480 N -1.29 0.19 -0.44 1.61 1.51 -0.45 -5.02 117.35 113.46 1e90 s TYR 480 Ca 0.35 -0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.41 1e90 s TYR 480 Cb -0.18 -0.14 0.12 0.00 -0.11 0.00 0.00 41.96 41.65 1e90 s TYR 480 CO 0.21 -0.01 0.20 0.08 -1.11 0.00 0.00 175.55 174.92 1e90 s VAL 481 N 0.04 1.82 -0.10 0.71 1.01 -1.26 -0.50 120.40 122.13 1e90 s VAL 481 Ca -0.00 -2.63 -0.17 0.00 0.00 0.00 0.00 61.98 59.18 1e90 s VAL 481 Cb -0.02 -2.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.03 1e90 s VAL 481 CO -0.00 -0.80 0.42 -0.76 0.00 0.00 0.00 175.10 173.96 1e90 s LEU 482 N 0.37 4.32 -0.46 3.92 1.43 -0.06 -4.90 118.68 123.30 1e90 s LEU 482 Ca 0.16 0.79 -0.19 0.00 -1.03 0.00 0.00 54.13 53.86 1e90 s LEU 482 Cb -0.23 -2.61 0.04 0.00 0.03 0.00 0.00 46.19 43.41 1e90 s LEU 482 CO -0.04 0.10 0.56 -1.00 0.23 0.00 0.00 176.35 176.20 1e90 s HIS 483 N 0.19 3.10 0.97 0.29 3.76 -1.26 -0.48 115.29 121.87 1e90 s HIS 483 Ca 0.24 -0.34 -0.13 0.00 -0.15 0.00 0.00 55.06 54.67 1e90 s HIS 483 Cb -0.15 -3.25 0.17 0.00 1.11 0.00 0.00 32.58 30.46 1e90 s HIS 483 CO 0.10 -0.86 1.13 -1.64 -0.85 0.00 0.00 174.74 172.61 1e90 s MET 484 N 2.50 0.63 0.09 1.40 1.00 -0.50 -0.25 119.30 124.17 1e90 s MET 484 Ca 0.16 0.28 0.04 0.00 0.00 0.00 0.00 55.69 56.17 1e90 s MET 484 Cb -0.17 -1.78 -0.04 0.00 0.00 0.00 0.00 34.83 32.84 1e90 s MET 484 CO 0.15 -2.54 0.04 -1.58 0.00 0.00 0.00 175.02 171.08 1e90 s TRP 485 N -3.19 3.07 0.01 -0.03 0.52 -0.18 -4.47 118.94 114.68 1e90 s TRP 485 Ca 0.66 0.01 -0.08 0.00 0.02 0.00 0.00 56.10 56.70 1e90 s TRP 485 Cb -0.15 -1.56 -0.05 0.00 -1.15 0.00 0.00 33.47 30.56 1e90 s TRP 485 CO 0.55 0.50 0.30 -1.14 0.02 0.00 0.00 176.95 177.18 1e90 s GLN 486 N -2.41 3.64 -0.03 4.98 0.74 -1.26 -1.68 119.66 123.64 1e90 s GLN 486 Ca 0.28 0.03 -0.19 0.00 0.05 0.00 0.00 55.36 55.53 1e90 s GLN 486 Cb -0.12 -3.09 -0.05 0.00 1.10 0.00 0.00 33.01 30.85 1e90 s GLN 486 CO 0.20 0.65 0.52 -1.17 -0.55 0.00 0.00 175.29 174.94 1e90 s LEU 487 N -1.64 4.40 -0.13 3.68 0.20 0.16 -4.98 118.68 120.36 1e90 s LEU 487 Ca 0.27 1.03 0.08 0.00 0.69 0.00 0.00 54.13 56.20 1e90 s LEU 487 Cb -0.14 -2.79 -0.23 0.00 -0.43 0.00 0.00 46.19 42.60 1e90 s LEU 487 CO 0.15 0.13 0.33 -0.24 -0.29 0.00 0.00 176.35 176.42 1e90 n SER 488 N 2.75 1.12 0.00 3.68 2.88 -1.26 -4.91 113.62 117.88 1e90 n SER 488 Ca -0.08 0.19 0.00 0.00 -1.33 0.00 0.00 58.87 57.64 1e90 n SER 488 Cb 0.51 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.93 1e90 n SER 488 CO 0.00 0.00 0.00 0.49 -1.23 0.00 0.00 175.04 174.30 1e90 n PHE 497 N -3.11 0.00 -4.36 0.66 3.72 -1.26 -5.09 117.46 108.02 1e90 n PHE 497 Ca -0.28 0.00 -0.20 0.00 -0.05 0.00 0.00 57.45 56.92 1e90 n PHE 497 Cb 1.07 0.00 -0.09 0.00 -0.94 0.00 0.00 39.48 39.52 1e90 n PHE 497 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1e90 s ASN 498 N 0.00 1.79 0.27 4.37 2.20 -1.26 -3.49 114.94 118.81 1e90 s ASN 498 Ca 0.00 -1.61 -0.04 0.00 -0.94 0.00 0.00 52.86 50.27 1e90 s ASN 498 Cb 0.00 0.43 0.35 0.00 -2.00 0.00 0.00 41.25 40.03 1e90 s ASN 498 CO 0.00 -0.92 1.89 0.00 -2.94 0.00 0.00 177.10 175.13 1e90 h ALA 499 N 2.12 1.27 -0.32 3.54 0.00 -1.37 -3.16 119.26 121.35 1e90 h ALA 499 Ca -0.32 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.47 1e90 h ALA 499 Cb 1.25 -0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 1e90 h ALA 499 CO 0.50 0.59 0.20 -0.44 0.00 0.00 0.00 179.25 180.10 1e90 h ASP 500 N 1.10 0.37 0.00 0.00 3.32 -1.94 -2.08 116.42 117.18 1e90 h ASP 500 Ca 0.28 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.32 1e90 h ASP 500 Cb 0.03 -0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.49 1e90 h ASP 500 CO -0.04 0.27 0.00 0.29 -1.72 0.00 0.00 179.24 178.04 1e90 n LYS 501 N -4.48 0.48 -0.00 3.56 5.02 -1.19 -2.39 118.16 119.16 1e90 n LYS 501 Ca 0.02 0.00 0.06 0.00 -2.02 0.00 0.00 58.31 56.37 1e90 n LYS 501 Cb 0.07 -1.34 -0.09 0.00 -0.02 0.00 0.00 35.03 33.65 1e90 n LYS 501 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1e90 n LEU 502 N -0.84 0.36 -4.67 -0.35 4.77 -0.78 -4.94 117.00 110.54 1e90 n LEU 502 Ca 0.08 -0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.38 1e90 n LEU 502 Cb 0.04 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.17 1e90 n LEU 502 CO 0.06 0.09 0.76 1.07 -1.33 0.00 0.00 177.39 178.04 1e90 n THR 503 N -1.58 3.46 0.42 -5.08 5.66 -1.00 -4.92 114.28 111.23 1e90 n THR 503 Ca 0.00 -0.50 0.12 0.00 -3.05 0.00 0.00 64.05 60.62 1e90 n THR 503 Cb 0.26 -1.39 0.05 0.00 -1.55 0.00 0.00 70.33 67.71 1e90 n THR 503 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1e90 n SER 504 N -0.58 0.67 -4.75 1.09 3.41 -1.26 -4.14 113.62 108.06 1e90 n SER 504 Ca 0.11 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.39 1e90 n SER 504 Cb 0.44 0.57 0.03 0.00 -0.26 0.00 0.00 64.21 64.99 1e90 n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1e90 s ALA 505 N -3.25 2.71 0.16 7.33 0.00 -1.26 -4.76 121.76 122.69 1e90 s ALA 505 Ca 0.03 1.11 0.05 0.00 0.00 0.00 0.00 51.96 53.14 1e90 s ALA 505 Cb 0.13 -3.48 -0.04 0.00 0.00 0.00 0.00 23.12 19.73 1e90 s ALA 505 CO 0.78 -1.14 0.11 0.95 0.00 0.00 0.00 175.76 176.46 1e90 s THR 506 N -1.48 4.38 -0.06 0.00 -4.23 -1.26 -4.74 115.64 108.25 1e90 s THR 506 Ca 0.73 -1.10 -0.29 0.00 -1.18 0.00 0.00 61.69 59.84 1e90 s THR 506 Cb -0.33 -3.22 -0.07 0.00 1.34 0.00 0.00 72.50 70.22 1e90 s THR 506 CO 0.38 -0.09 1.93 0.21 -0.54 0.00 0.00 174.62 176.51 1e90 s ASN 507 N -3.01 6.28 0.22 3.99 3.84 0.65 -4.88 114.94 122.03 1e90 s ASN 507 Ca 0.30 2.33 -0.08 0.00 0.21 0.00 0.00 52.86 55.62 1e90 s ASN 507 Cb -0.10 -2.53 0.17 0.00 -0.55 0.00 0.00 41.25 38.24 1e90 s ASN 507 CO 0.23 -1.24 1.81 1.55 -2.79 0.00 0.00 177.10 176.65 1e90 h PRO 508 N 11.33 1.20 -5.93 0.43 0.13 -1.92 -3.40 132.00 133.84 1e90 h PRO 508 Ca -0.44 -0.19 -0.50 0.00 -0.87 0.00 0.00 66.00 64.00 1e90 h PRO 508 Cb 1.22 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 32.11 1e90 h PRO 508 CO 0.95 0.94 1.40 0.34 -0.23 0.00 0.00 178.00 181.40 1e90 s ASP 509 N -6.29 5.15 -0.08 1.44 2.15 -1.26 -4.81 116.67 112.97 1e90 s ASP 509 Ca -0.13 0.52 -0.10 0.00 0.43 0.00 0.00 52.55 53.28 1e90 s ASP 509 Cb 0.16 -2.52 -0.29 0.00 -0.30 0.00 0.00 42.92 39.97 1e90 s ASP 509 CO 0.83 -2.43 0.54 0.11 -0.17 0.00 0.00 175.17 174.05 1e90 h LYS 510 N 15.67 0.34 0.00 4.34 1.57 -1.93 -3.13 116.57 133.43 1e90 h LYS 510 Ca -0.26 -0.58 0.00 0.00 -1.87 0.00 0.00 60.65 57.94 1e90 h LYS 510 Cb 1.18 0.22 0.00 0.00 0.08 0.00 0.00 32.23 33.71 1e90 h LYS 510 CO 1.20 1.28 0.00 0.39 -0.57 0.00 0.00 179.45 181.75 1e90 n GLU 511 N -3.57 0.09 0.00 3.15 1.02 -1.26 -3.35 120.64 116.72 1e90 n GLU 511 Ca -0.28 0.59 0.00 0.00 -0.02 0.00 0.00 57.16 57.45 1e90 n GLU 511 Cb 1.06 -1.79 0.00 0.00 -0.02 0.00 0.00 31.44 30.69 1e90 n GLU 511 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1e90 n ASN 512 N -1.97 3.01 -4.86 1.62 3.02 -1.26 -4.83 115.26 109.98 1e90 n ASN 512 Ca -0.01 0.00 -0.31 0.00 -0.03 0.00 0.00 54.58 54.23 1e90 n ASN 512 Cb 0.02 0.56 -0.03 0.00 -0.61 0.00 0.00 39.78 39.73 1e90 n ASN 512 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1e90 s SER 513 N -1.33 6.52 0.46 6.41 1.04 -1.18 -4.75 113.70 120.87 1e90 s SER 513 Ca 0.00 1.30 -0.22 0.00 0.48 0.00 0.00 55.95 57.50 1e90 s SER 513 Cb 0.00 -2.40 -0.08 0.00 0.10 0.00 0.00 66.02 63.65 1e90 s SER 513 CO 0.00 -0.52 1.12 -0.32 0.98 0.00 0.00 173.24 174.51 1e90 s MET 514 N -4.10 3.80 0.00 4.02 1.75 -1.26 -4.72 119.30 118.79 1e90 s MET 514 Ca 0.54 1.66 0.04 0.00 -1.25 0.00 0.00 55.69 56.68 1e90 s MET 514 Cb -0.10 -2.36 -0.01 0.00 2.84 0.00 0.00 34.83 35.20 1e90 s MET 514 CO 0.34 -0.49 -0.11 -1.54 -0.65 0.00 0.00 175.02 172.57 1e90 s SER 515 N -1.51 1.33 -0.15 1.11 1.04 -0.32 -1.41 113.70 113.79 1e90 s SER 515 Ca 0.64 -0.25 -0.02 0.00 0.48 0.00 0.00 55.95 56.79 1e90 s SER 515 Cb -0.25 -0.13 -0.02 0.00 0.10 0.00 0.00 66.02 65.71 1e90 s SER 515 CO 0.31 0.11 -0.08 -0.51 0.98 0.00 0.00 173.24 174.05 1e90 s ILE 516 N -0.39 3.47 -0.22 -1.02 1.10 0.37 -0.92 121.20 123.59 1e90 s ILE 516 Ca 0.03 -0.50 -0.06 0.00 -0.51 0.00 0.00 60.65 59.61 1e90 s ILE 516 Cb -0.05 -2.51 -0.02 0.00 0.15 0.00 0.00 42.46 40.03 1e90 s ILE 516 CO -0.00 0.50 0.02 -0.44 -2.11 0.00 0.00 174.94 172.91 1e90 s SER 517 N 0.50 4.87 0.27 4.50 0.01 -0.30 -0.88 113.70 122.68 1e90 s SER 517 Ca -0.06 -0.23 0.02 0.00 1.31 0.00 0.00 55.95 56.99 1e90 s SER 517 Cb -0.15 -1.85 -0.05 0.00 0.21 0.00 0.00 66.02 64.18 1e90 s SER 517 CO 0.03 0.02 0.12 0.27 0.41 0.00 0.00 173.24 174.09 1e90 s ILE 518 N 1.30 0.44 -0.00 1.44 -4.36 0.34 -1.60 121.20 118.75 1e90 s ILE 518 Ca 0.04 -2.00 0.01 0.00 -0.26 0.00 0.00 60.65 58.44 1e90 s ILE 518 Cb -0.15 -2.58 -0.00 0.00 1.25 0.00 0.00 42.46 40.98 1e90 s ILE 518 CO 0.02 0.00 -0.03 -0.22 0.24 0.00 0.00 174.94 174.94 1e90 s LEU 519 N -3.32 2.02 -0.02 0.37 2.96 -0.27 -1.35 118.68 119.07 1e90 s LEU 519 Ca 0.37 -0.08 0.06 0.00 -0.22 0.00 0.00 54.13 54.26 1e90 s LEU 519 Cb 0.07 -0.14 -0.01 0.00 0.50 0.00 0.00 46.19 46.60 1e90 s LEU 519 CO 0.15 0.02 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.23 1e90 s LEU 520 N -0.15 2.03 0.00 -0.68 1.02 -0.99 -1.31 118.68 118.60 1e90 s LEU 520 Ca 0.00 -0.38 0.00 0.00 0.02 0.00 0.00 54.13 53.78 1e90 s LEU 520 Cb -0.02 -1.06 0.00 0.00 0.02 0.00 0.00 46.19 45.13 1e90 s LEU 520 CO -0.00 0.24 0.00 0.47 0.02 0.00 0.00 176.35 177.08 1e90 n ASP 521 N 2.65 0.00 -4.14 2.29 8.00 -1.26 -3.03 116.55 121.05 1e90 n ASP 521 Ca -0.16 0.00 -0.39 0.00 0.71 0.00 0.00 54.79 54.95 1e90 n ASP 521 Cb 0.53 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.59 1e90 n ASP 521 CO 0.00 0.00 0.00 1.41 -0.39 0.00 0.00 177.20 178.22 1e90 n HIS 525 N 0.00 4.39 -1.82 1.24 -0.00 -1.26 -4.28 115.22 113.49 1e90 n HIS 525 Ca 0.00 -3.94 -0.42 0.00 -0.00 0.00 0.00 57.72 53.36 1e90 n HIS 525 Cb 0.00 -1.30 -0.03 0.00 -0.00 0.00 0.00 29.99 28.66 1e90 n HIS 525 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 176.34 174.20 1e90 s PRO 526 N -1.53 4.17 -0.09 -0.41 0.02 -1.26 -4.90 135.00 131.00 1e90 s PRO 526 Ca 0.30 2.47 0.01 0.00 0.02 0.00 0.00 61.00 63.79 1e90 s PRO 526 Cb -0.06 -3.58 -0.03 0.00 0.02 0.00 0.00 34.50 30.85 1e90 s PRO 526 CO -0.09 -0.79 -0.09 0.42 -0.33 0.00 0.00 177.00 176.12 1e90 s ILE 527 N 2.64 3.45 -0.32 2.83 1.09 -1.26 -2.09 121.20 127.53 1e90 s ILE 527 Ca 0.77 -0.55 -0.25 0.00 -1.10 0.00 0.00 60.65 59.52 1e90 s ILE 527 Cb -0.43 -2.42 0.01 0.00 -1.06 0.00 0.00 42.46 38.55 1e90 s ILE 527 CO 0.34 0.57 0.86 0.00 -0.10 0.00 0.00 174.94 176.61 1e90 s ALA 528 N -0.37 3.49 0.12 9.38 0.00 -0.28 -5.01 121.76 129.10 1e90 s ALA 528 Ca 0.05 -0.39 -0.31 0.00 0.00 0.00 0.00 51.96 51.31 1e90 s ALA 528 Cb -0.12 -3.41 -0.08 0.00 0.00 0.00 0.00 23.12 19.51 1e90 s ALA 528 CO 0.02 -1.35 1.34 -0.51 0.00 0.00 0.00 175.76 175.27 1e90 s LEU 529 N 3.18 4.38 0.21 0.00 1.43 -1.26 -4.90 118.68 121.71 1e90 s LEU 529 Ca 0.35 2.29 -0.32 0.00 -1.03 0.00 0.00 54.13 55.43 1e90 s LEU 529 Cb -0.13 -3.59 -0.11 0.00 0.03 0.00 0.00 46.19 42.39 1e90 s LEU 529 CO 0.14 -0.60 1.64 -2.84 0.23 0.00 0.00 176.35 174.93 1e90 s PRO 530 N 0.86 4.16 0.00 1.29 0.02 -1.26 -5.16 135.00 134.91 1e90 s PRO 530 Ca 0.62 2.51 0.00 0.00 0.02 0.00 0.00 61.00 64.15 1e90 s PRO 530 Cb -0.35 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.07 1e90 s PRO 530 CO 0.31 -0.67 0.00 -1.91 -0.33 0.00 0.00 177.00 174.40 1e90 n GLU 546 N 3.69 0.00 -3.61 5.54 2.13 -1.26 -5.28 120.64 121.85 1e90 n GLU 546 Ca 0.14 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.86 1e90 n GLU 546 Cb 0.37 0.00 -0.06 0.00 0.27 0.00 0.00 31.44 32.01 1e90 n GLU 546 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1e90 s MET 547 N 0.00 0.55 0.94 5.31 0.23 -1.26 -5.16 119.30 119.91 1e90 s MET 547 Ca 0.00 0.43 -0.14 0.00 -1.03 0.00 0.00 55.69 54.94 1e90 s MET 547 Cb 0.00 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.54 1e90 s MET 547 CO 0.00 -0.11 0.06 -2.30 -2.03 0.00 0.00 175.02 170.64 1e90 n PRO 548 N 1.65 -0.16 -0.28 3.16 -0.02 -1.26 -4.67 135.00 133.42 1e90 n PRO 548 Ca -0.12 -0.02 -0.06 0.00 -2.02 0.00 0.00 63.50 61.28 1e90 n PRO 548 Cb 0.57 -1.60 0.06 0.00 -0.02 0.00 0.00 33.50 32.51 1e90 n PRO 548 CO 0.00 0.00 0.00 -0.97 1.98 0.00 0.00 175.50 176.51 1e90 h ASN 549 N -1.29 1.10 0.93 2.55 -0.73 -2.02 -1.02 115.58 115.10 1e90 h ASN 549 Ca -0.44 -0.20 -0.17 0.00 1.87 0.00 0.00 56.30 57.36 1e90 h ASN 549 Cb 1.29 -0.29 -0.02 0.00 0.27 0.00 0.00 38.32 39.57 1e90 h ASN 549 CO 0.32 1.01 -0.82 -0.61 -0.37 0.00 0.00 177.43 176.96 1e90 h GLN 550 N 1.14 0.00 -0.14 6.67 -0.00 -1.97 -0.25 115.11 120.56 1e90 h GLN 550 Ca 0.25 0.00 -0.05 0.00 -0.00 0.00 0.00 58.65 58.85 1e90 h GLN 550 Cb 0.28 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.76 1e90 h GLN 550 CO -0.01 0.82 -0.09 1.25 0.00 0.00 0.00 178.83 180.79 1e90 h LEU 551 N 0.00 0.32 0.19 -2.39 5.85 -1.90 -0.64 115.31 116.74 1e90 h LEU 551 Ca -0.01 -0.44 0.01 0.00 0.84 0.00 0.00 57.88 58.28 1e90 h LEU 551 Cb 1.50 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 42.41 1e90 h LEU 551 CO 0.11 0.69 -0.29 -0.09 -0.34 0.00 0.00 178.44 178.52 1e90 h ARG 552 N -0.06 -0.53 0.00 1.25 9.65 -1.13 -0.36 114.38 123.20 1e90 h ARG 552 Ca 0.03 0.04 0.00 0.00 -1.10 0.00 0.00 59.98 58.94 1e90 h ARG 552 Cb 0.59 0.12 0.00 0.00 -1.39 0.00 0.00 29.97 29.29 1e90 h ARG 552 CO 0.03 -0.35 0.00 0.87 2.80 0.00 0.00 179.97 183.31 1e90 h LYS 553 N -0.55 0.00 0.00 0.20 1.57 -0.97 0.25 116.57 117.08 1e90 h LYS 553 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1e90 h LYS 553 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1e90 h LYS 553 CO -0.13 0.00 -1.17 0.94 -0.57 0.00 0.00 179.45 178.52 1e90 n GLN 554 N -2.78 0.46 -0.03 3.15 -0.06 -0.25 -3.31 117.38 114.55 1e90 n GLN 554 Ca -0.02 0.01 -0.15 0.00 -2.00 0.00 0.00 57.00 54.83 1e90 n GLN 554 Cb 0.08 -1.66 -0.12 0.00 -4.06 0.00 0.00 30.24 24.47 1e90 n GLN 554 CO 0.00 0.00 0.00 1.25 -0.20 0.00 0.00 177.06 178.11 1e90 h LEU 555 N 0.00 0.15 -1.80 1.69 5.85 0.64 -3.18 115.31 118.66 1e90 h LEU 555 Ca 0.00 -0.88 -0.03 0.00 0.84 0.00 0.00 57.88 57.81 1e90 h LEU 555 Cb 0.87 -0.05 -0.00 0.00 0.37 0.00 0.00 40.66 41.85 1e90 h LEU 555 CO 0.00 1.01 -0.15 -0.33 -0.34 0.00 0.00 178.44 178.63 1e90 h GLU 556 N -0.69 0.00 -0.31 1.25 5.08 -1.50 -1.30 114.58 117.10 1e90 h GLU 556 Ca -0.03 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.20 1e90 h GLU 556 Cb 1.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.30 1e90 h GLU 556 CO 0.04 0.15 -0.32 0.00 -1.00 0.00 0.00 179.01 177.88 1e90 h ALA 557 N 1.85 0.87 -0.02 3.43 0.00 -1.60 0.11 119.26 123.89 1e90 h ALA 557 Ca -0.00 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.48 1e90 h ALA 557 Cb 0.34 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1e90 h ALA 557 CO 0.02 0.63 -0.09 0.82 0.00 0.00 0.00 179.25 180.63 1e90 h ILE 558 N 0.56 1.50 -0.58 0.00 1.08 -1.34 -3.00 117.51 115.73 1e90 h ILE 558 Ca 0.06 -1.61 0.06 0.00 -0.39 0.00 0.00 64.86 62.99 1e90 h ILE 558 Cb 0.82 2.51 -0.03 0.00 -3.07 0.00 0.00 36.82 37.05 1e90 h ILE 558 CO 0.07 0.43 0.39 0.40 -0.69 0.00 0.00 178.15 178.75 1e90 h ILE 559 N -0.51 0.98 0.00 -0.67 2.04 -1.22 0.91 117.51 119.05 1e90 h ILE 559 Ca -0.01 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.67 1e90 h ILE 559 Cb 0.75 0.40 0.00 0.00 -0.74 0.00 0.00 36.82 37.24 1e90 h ILE 559 CO 0.02 0.10 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1e90 n ALA 560 N -2.49 2.00 -1.48 1.87 0.00 0.38 -4.83 120.51 115.95 1e90 n ALA 560 Ca 0.08 -0.08 -0.33 0.00 0.00 0.00 0.00 53.44 53.12 1e90 n ALA 560 Cb 0.25 -1.34 0.05 0.00 0.00 0.00 0.00 19.45 18.41 1e90 n ALA 560 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1e90 s THR 561 N -2.91 3.22 1.06 0.00 2.01 0.31 -5.03 115.64 114.30 1e90 s THR 561 Ca 0.12 0.55 -0.15 0.00 0.31 0.00 0.00 61.69 62.52 1e90 s THR 561 Cb 0.14 -3.06 0.22 0.00 0.01 0.00 0.00 72.50 69.80 1e90 s THR 561 CO 0.37 -0.37 1.12 1.51 -0.69 0.00 0.00 174.62 176.57 1e90 s ASP 562 N -2.65 2.14 0.19 3.53 -4.77 -1.26 -4.98 116.67 108.86 1e90 s ASP 562 Ca 0.67 0.87 -0.09 0.00 -3.30 0.00 0.00 52.55 50.69 1e90 s ASP 562 Cb -0.20 -1.32 0.09 0.00 -1.09 0.00 0.00 42.92 40.39 1e90 s ASP 562 CO 0.43 -3.39 1.68 -0.65 0.70 0.00 0.00 175.17 173.94 1e90 h PRO 563 N -2.08 1.08 0.00 2.11 0.11 -1.95 -3.17 132.00 128.09 1e90 h PRO 563 Ca -0.50 -0.29 0.00 0.00 0.11 0.00 0.00 66.00 65.32 1e90 h PRO 563 Cb 1.31 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1e90 h PRO 563 CO 0.49 1.00 0.00 1.28 -0.21 0.00 0.00 178.00 180.55 1e90 n LEU 564 N -4.24 0.00 -4.60 2.35 4.77 -1.26 -4.73 117.00 109.28 1e90 n LEU 564 Ca 0.04 0.26 -0.42 0.00 -0.03 0.00 0.00 56.01 55.85 1e90 n LEU 564 Cb 0.29 -0.26 -0.04 0.00 -2.33 0.00 0.00 43.42 41.08 1e90 n LEU 564 CO 0.43 -0.03 0.71 0.21 -1.33 0.00 0.00 177.39 177.37 1e90 s ASN 565 N -2.51 6.67 1.33 -1.43 2.47 -1.20 -5.03 114.94 115.24 1e90 s ASN 565 Ca 0.26 0.59 -0.20 0.00 0.42 0.00 0.00 52.86 53.93 1e90 s ASN 565 Cb 0.18 -2.45 0.34 0.00 -1.45 0.00 0.00 41.25 37.87 1e90 s ASN 565 CO 0.39 -0.78 0.98 -2.16 -3.72 0.00 0.00 177.10 171.81 1e90 s PRO 566 N 3.31 -2.25 0.21 0.43 0.04 -1.26 -4.91 135.00 130.57 1e90 s PRO 566 Ca 0.36 0.24 0.11 0.00 0.04 0.00 0.00 61.00 61.75 1e90 s PRO 566 Cb -0.13 -1.45 -0.05 0.00 0.04 0.00 0.00 34.50 32.92 1e90 s PRO 566 CO 0.17 -4.45 -0.19 -0.51 0.04 0.00 0.00 177.00 172.05 1e90 s LEU 567 N -7.57 2.60 0.46 -3.56 1.43 -1.26 -5.14 118.68 105.65 1e90 s LEU 567 Ca 0.69 -0.84 0.08 0.00 -1.03 0.00 0.00 54.13 53.03 1e90 s LEU 567 Cb -0.15 -1.27 0.03 0.00 0.03 0.00 0.00 46.19 44.83 1e90 s LEU 567 CO 0.59 0.09 0.63 0.42 0.23 0.00 0.00 176.35 178.32 1e90 s THR 568 N -1.89 2.76 0.15 5.49 -4.23 -1.26 -4.92 115.64 111.74 1e90 s THR 568 Ca 0.24 -0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 59.59 1e90 s THR 568 Cb -0.07 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 71.00 1e90 s THR 568 CO 0.12 0.00 1.77 0.00 -0.54 0.00 0.00 174.62 175.98 1e90 h ALA 569 N 0.50 0.41 -0.55 3.99 0.00 -2.01 -0.02 119.26 121.58 1e90 h ALA 569 Ca -0.37 0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.49 1e90 h ALA 569 Cb 1.28 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1e90 h ALA 569 CO 0.44 -0.21 0.11 1.49 0.00 0.00 0.00 179.25 181.07 1e90 h GLU 570 N 0.34 0.90 -0.12 0.00 4.81 -1.98 -1.48 114.58 117.04 1e90 h GLU 570 Ca 0.14 -0.23 0.04 0.00 -0.13 0.00 0.00 59.36 59.18 1e90 h GLU 570 Cb 0.06 -0.11 -0.06 0.00 0.63 0.00 0.00 28.75 29.26 1e90 h GLU 570 CO -0.10 0.86 -0.38 -0.44 -0.73 0.00 0.00 179.01 178.22 1e90 h ASP 571 N 0.79 -1.18 -0.59 1.04 3.45 -1.72 0.33 116.42 118.55 1e90 h ASP 571 Ca 0.17 0.16 -0.01 0.00 0.43 0.00 0.00 57.03 57.78 1e90 h ASP 571 Cb 0.38 0.49 -0.03 0.00 -0.56 0.00 0.00 39.33 39.61 1e90 h ASP 571 CO 0.01 -0.40 0.31 0.11 -1.57 0.00 0.00 179.24 177.70 1e90 h LYS 572 N -0.46 0.83 -0.48 3.56 1.57 -0.89 -1.06 116.57 119.65 1e90 h LYS 572 Ca 0.08 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1e90 h LYS 572 Cb 0.60 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.73 1e90 h LYS 572 CO -0.37 0.64 0.31 0.93 -0.57 0.00 0.00 179.45 180.39 1e90 h GLU 573 N 0.80 0.63 -0.08 3.15 5.08 -0.80 0.51 114.58 123.87 1e90 h GLU 573 Ca 0.21 -0.04 -0.19 0.00 -1.00 0.00 0.00 59.36 58.34 1e90 h GLU 573 Cb 0.07 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.19 1e90 h GLU 573 CO -0.03 0.42 -0.67 1.25 -1.00 0.00 0.00 179.01 178.97 1e90 h LEU 574 N 0.65 0.73 -0.19 1.33 5.85 -0.48 -1.09 115.31 122.10 1e90 h LEU 574 Ca 0.17 -0.68 -0.00 0.00 0.84 0.00 0.00 57.88 58.21 1e90 h LEU 574 Cb -0.07 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.73 1e90 h LEU 574 CO -0.04 1.30 0.11 -0.07 -0.34 0.00 0.00 178.44 179.40 1e90 h LEU 575 N 0.22 0.24 -0.26 2.25 4.07 -0.64 -2.91 115.31 118.28 1e90 h LEU 575 Ca -0.06 -0.08 -0.08 0.00 0.08 0.00 0.00 57.88 57.75 1e90 h LEU 575 Cb 1.33 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 43.00 1e90 h LEU 575 CO 0.14 0.25 -0.14 -0.25 -1.08 0.00 0.00 178.44 177.36 1e90 h TRP 576 N 0.21 0.64 -0.90 1.13 2.91 -0.97 -3.11 115.95 115.86 1e90 h TRP 576 Ca 0.07 -0.16 0.14 0.00 1.13 0.00 0.00 58.89 60.06 1e90 h TRP 576 Cb 0.06 -0.15 -0.09 0.00 -0.51 0.00 0.00 29.16 28.47 1e90 h TRP 576 CO -0.04 0.81 0.51 1.25 -1.03 0.00 0.00 178.44 179.94 1e90 h HIS 577 N 0.28 0.92 -2.32 2.65 2.76 -1.18 -2.37 115.15 115.88 1e90 h HIS 577 Ca 0.06 0.03 -0.74 0.00 -2.20 0.00 0.00 60.37 57.52 1e90 h HIS 577 Cb 0.65 -0.27 -0.32 0.00 1.55 0.00 0.00 27.41 29.02 1e90 h HIS 577 CO 0.06 0.29 0.48 1.19 -1.30 0.00 0.00 177.93 178.65 1e90 n PHE 578 N -4.77 3.11 0.24 5.26 3.01 -1.10 -4.81 117.46 118.41 1e90 n PHE 578 Ca 0.18 -3.03 -0.15 0.00 1.01 0.00 0.00 57.45 55.46 1e90 n PHE 578 Cb 0.40 -0.98 -0.08 0.00 -0.01 0.00 0.00 39.48 38.81 1e90 n PHE 578 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1e90 h ARG 579 N 3.99 -0.57 0.00 -1.08 3.08 -1.38 -1.43 114.38 117.00 1e90 h ARG 579 Ca 0.38 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.47 1e90 h ARG 579 Cb 0.41 0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.59 1e90 h ARG 579 CO 1.08 -0.33 0.00 0.66 -1.07 0.00 0.00 179.97 180.32 1e90 n TYR 580 N -5.30 0.67 -0.06 3.04 4.02 -1.26 -0.29 117.16 117.97 1e90 n TYR 580 Ca -0.11 0.31 -0.13 0.00 -0.01 0.00 0.00 57.90 57.97 1e90 n TYR 580 Cb 0.27 -1.00 -0.14 0.00 -0.02 0.00 0.00 39.34 38.45 1e90 n TYR 580 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1e90 n GLU 581 N -2.16 0.68 0.05 -0.72 4.07 -1.11 -3.94 120.64 117.50 1e90 n GLU 581 Ca 0.00 0.16 0.13 0.00 -0.06 0.00 0.00 57.16 57.39 1e90 n GLU 581 Cb 0.11 -1.64 0.43 0.00 -0.06 0.00 0.00 31.44 30.28 1e90 n GLU 581 CO 0.00 0.00 0.00 0.43 -0.06 0.00 0.00 177.13 177.50 1e90 n SER 582 N -3.04 0.46 0.13 4.31 7.64 -0.56 -3.38 113.62 119.18 1e90 n SER 582 Ca -0.30 0.37 0.00 0.00 1.01 0.00 0.00 58.87 59.95 1e90 n SER 582 Cb 1.08 -0.40 0.06 0.00 -1.01 0.00 0.00 64.21 63.94 1e90 n SER 582 CO 0.00 0.00 0.00 0.25 -3.01 0.00 0.00 175.04 172.28 1e90 h LEU 583 N 0.00 0.00 0.00 -3.43 5.85 -0.77 -3.21 115.31 113.75 1e90 h LEU 583 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1e90 h LEU 583 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1e90 h LEU 583 CO 0.00 0.63 0.00 0.29 -0.34 0.00 0.00 178.44 179.02 1e90 n LYS 584 N -3.37 0.03 -4.05 1.25 5.02 -1.22 -4.44 118.16 111.38 1e90 n LYS 584 Ca 0.01 0.27 -0.32 0.00 -2.02 0.00 0.00 58.31 56.25 1e90 n LYS 584 Cb 0.74 -1.50 -0.16 0.00 -0.02 0.00 0.00 35.03 34.09 1e90 n LYS 584 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1e90 s ASP 585 N -2.94 3.70 0.28 4.39 -1.08 -1.21 -5.02 116.67 114.79 1e90 s ASP 585 Ca 0.07 -1.01 0.01 0.00 -0.52 0.00 0.00 52.55 51.10 1e90 s ASP 585 Cb 0.08 -1.39 0.56 0.00 -1.46 0.00 0.00 42.92 40.71 1e90 s ASP 585 CO 0.23 -0.13 1.83 -0.65 0.52 0.00 0.00 175.17 176.97 1e90 h PRO 586 N 7.90 0.96 0.00 4.34 0.11 -1.85 -1.86 132.00 141.61 1e90 h PRO 586 Ca -0.29 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.77 1e90 h PRO 586 Cb 1.09 -0.22 0.00 0.00 0.11 0.00 0.00 31.00 31.98 1e90 h PRO 586 CO 0.50 0.64 0.00 1.63 -0.21 0.00 0.00 178.00 180.56 1e90 n LYS 587 N -4.62 0.29 -0.05 1.05 5.02 -1.26 -1.99 118.16 116.60 1e90 n LYS 587 Ca 0.19 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.50 1e90 n LYS 587 Cb 0.36 -1.41 -0.16 0.00 -0.02 0.00 0.00 35.03 33.79 1e90 n LYS 587 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1e90 n ALA 588 N -0.91 2.24 -0.33 7.82 0.00 -0.70 -4.62 120.51 124.01 1e90 n ALA 588 Ca 0.06 -0.86 -0.06 0.00 0.00 0.00 0.00 53.44 52.58 1e90 n ALA 588 Cb 0.03 -0.52 -0.01 0.00 0.00 0.00 0.00 19.45 18.95 1e90 n ALA 588 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 1e90 h TYR 589 N 0.00 -1.32 -0.05 0.00 -1.99 -1.53 0.35 116.97 112.44 1e90 h TYR 589 Ca -0.23 0.10 0.03 0.00 2.00 0.00 0.00 58.73 60.63 1e90 h TYR 589 Cb 1.54 0.70 -0.06 0.00 2.00 0.00 0.00 36.73 40.90 1e90 h TYR 589 CO 0.00 -0.40 -0.47 -1.35 -0.00 0.00 0.00 178.16 175.94 1e90 h PRO 590 N -0.07 -0.57 -0.22 4.88 0.11 -1.82 0.18 132.00 134.50 1e90 h PRO 590 Ca 0.25 0.04 0.04 0.00 0.11 0.00 0.00 66.00 66.44 1e90 h PRO 590 Cb 0.54 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.75 1e90 h PRO 590 CO -0.88 -0.38 -0.02 0.87 -0.21 0.00 0.00 178.00 177.39 1e90 h LYS 591 N -0.59 0.04 -0.98 1.05 1.79 -1.61 -2.82 116.57 113.46 1e90 h LYS 591 Ca 0.04 -0.00 0.03 0.00 -2.18 0.00 0.00 60.65 58.55 1e90 h LYS 591 Cb 0.67 -0.01 -0.06 0.00 -1.58 0.00 0.00 32.23 31.26 1e90 h LYS 591 CO -0.36 0.03 0.64 1.25 -1.08 0.00 0.00 179.45 179.93 1e90 h LEU 592 N 0.04 1.07 -0.35 2.94 5.85 0.14 -2.70 115.31 122.31 1e90 h LEU 592 Ca 0.11 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.81 1e90 h LEU 592 Cb 0.14 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 40.93 1e90 h LEU 592 CO -0.20 0.74 -0.00 0.49 -0.34 0.00 0.00 178.44 179.13 1e90 n PHE 593 N -4.43 0.00 0.78 1.25 3.01 0.60 -2.80 117.46 115.86 1e90 n PHE 593 Ca 0.13 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.67 1e90 n PHE 593 Cb 0.09 -0.01 -0.06 0.00 -0.01 0.00 0.00 39.48 39.50 1e90 n PHE 593 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 1e90 n SER 594 N -0.58 1.16 -0.67 4.37 3.41 -1.03 -3.97 113.62 116.31 1e90 n SER 594 Ca 0.22 -1.08 0.11 0.00 -0.26 0.00 0.00 58.87 57.86 1e90 n SER 594 Cb 0.20 0.79 0.34 0.00 -0.26 0.00 0.00 64.21 65.28 1e90 n SER 594 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1e90 n SER 595 N -0.87 2.00 -4.79 4.04 7.64 -1.12 -4.90 113.62 115.63 1e90 n SER 595 Ca 0.05 -1.76 -0.39 0.00 1.01 0.00 0.00 58.87 57.78 1e90 n SER 595 Cb 0.30 -0.12 -0.06 0.00 -1.01 0.00 0.00 64.21 63.32 1e90 n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1e90 s VAL 596 N -1.75 4.41 -1.16 0.44 1.01 -1.25 -4.82 120.40 117.28 1e90 s VAL 596 Ca 0.33 1.61 -0.11 0.00 0.00 0.00 0.00 61.98 63.82 1e90 s VAL 596 Cb 0.18 -4.07 0.24 0.00 0.00 0.00 0.00 36.38 32.73 1e90 s VAL 596 CO 0.27 0.44 1.25 0.29 0.00 0.00 0.00 175.10 177.35 1e90 n LYS 597 N 1.36 3.48 0.31 2.72 5.02 -1.26 -4.83 118.16 124.96 1e90 n LYS 597 Ca -0.05 -4.22 0.19 0.00 -2.02 0.00 0.00 58.31 52.21 1e90 n LYS 597 Cb 0.49 -2.74 1.04 0.00 -0.02 0.00 0.00 35.03 33.80 1e90 n LYS 597 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 1e90 h TRP 598 N 6.82 0.00 0.00 2.13 4.06 -1.96 -2.06 115.95 124.95 1e90 h TRP 598 Ca 0.23 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.18 1e90 h TRP 598 Cb 0.87 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.03 1e90 h TRP 598 CO 0.89 0.01 0.00 0.41 -3.56 0.00 0.00 178.44 176.19 1e90 n GLY 599 N -1.01 1.34 2.67 1.49 0.00 -1.26 -4.39 105.19 104.03 1e90 n GLY 599 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.77 1e90 n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1e90 s GLN 600 N -0.64 0.16 0.31 1.61 -0.21 -0.77 -4.83 119.66 115.28 1e90 s GLN 600 Ca 0.00 -0.05 0.04 0.00 0.02 0.00 0.00 55.36 55.37 1e90 s GLN 600 Cb 0.00 -1.35 0.81 0.00 1.00 0.00 0.00 33.01 33.47 1e90 s GLN 600 CO 0.00 -0.76 1.61 0.37 -2.12 0.00 0.00 175.29 174.39 1e90 h GLN 601 N 8.36 0.10 0.25 2.91 5.75 -1.79 -1.54 115.11 129.15 1e90 h GLN 601 Ca -0.16 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.32 1e90 h GLN 601 Cb 1.12 -0.02 0.00 0.00 1.07 0.00 0.00 27.48 29.65 1e90 h GLN 601 CO 0.32 0.07 -0.12 0.93 -2.65 0.00 0.00 178.83 177.37 1e90 h GLU 602 N 0.11 -0.33 -0.53 1.69 3.07 -1.94 -1.55 114.58 115.11 1e90 h GLU 602 Ca 0.61 0.02 0.05 0.00 -0.50 0.00 0.00 59.36 59.55 1e90 h GLU 602 Cb 1.31 0.07 -0.05 0.00 -0.84 0.00 0.00 28.75 29.25 1e90 h GLU 602 CO -0.77 -0.18 0.25 0.82 -1.40 0.00 0.00 179.01 177.74 1e90 h ILE 603 N -0.40 0.92 -0.02 3.13 1.08 -1.57 -1.66 117.51 118.99 1e90 h ILE 603 Ca -0.03 -0.17 -0.00 0.00 -0.39 0.00 0.00 64.86 64.27 1e90 h ILE 603 Cb 0.30 0.40 -0.00 0.00 -3.07 0.00 0.00 36.82 34.45 1e90 h ILE 603 CO 0.06 0.09 0.01 0.58 -0.69 0.00 0.00 178.15 178.20 1e90 h VAL 604 N 0.48 1.06 -0.85 1.67 2.07 -1.38 -1.03 116.25 118.28 1e90 h VAL 604 Ca 0.24 -0.18 0.15 0.00 0.82 0.00 0.00 66.70 67.73 1e90 h VAL 604 Cb 0.18 1.14 -0.10 0.00 -1.52 0.00 0.00 31.29 30.99 1e90 h VAL 604 CO -0.18 0.05 0.43 0.00 0.02 0.00 0.00 177.57 177.89 1e90 h ALA 605 N 0.94 1.28 -0.53 1.67 0.00 -0.91 0.25 119.26 121.96 1e90 h ALA 605 Ca 0.01 0.09 -0.08 0.00 0.00 0.00 0.00 54.91 54.93 1e90 h ALA 605 Cb 0.07 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.83 1e90 h ALA 605 CO -0.00 -0.10 0.01 0.87 0.00 0.00 0.00 179.25 180.02 1e90 h LYS 606 N 0.61 0.90 -0.06 0.00 1.57 -0.91 -2.52 116.57 116.16 1e90 h LYS 606 Ca 0.47 -0.25 0.02 0.00 -1.87 0.00 0.00 60.65 59.01 1e90 h LYS 606 Cb 0.67 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.87 1e90 h LYS 606 CO -0.37 0.89 -0.05 1.15 -0.57 0.00 0.00 179.45 180.49 1e90 h THR 607 N 0.83 0.84 -0.77 -0.16 2.02 0.78 0.23 112.91 116.69 1e90 h THR 607 Ca 0.16 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.41 1e90 h THR 607 Cb 0.48 0.84 -0.05 0.00 -1.74 0.00 0.00 68.15 67.68 1e90 h THR 607 CO 0.02 0.00 0.50 1.88 0.37 0.00 0.00 175.52 178.30 1e90 h TYR 608 N -0.07 0.80 -0.04 3.16 0.99 -0.97 0.35 116.97 121.20 1e90 h TYR 608 Ca 0.04 0.02 -0.00 0.00 2.00 0.00 0.00 58.73 60.79 1e90 h TYR 608 Cb 0.13 -0.26 -0.00 0.00 1.00 0.00 0.00 36.73 37.59 1e90 h TYR 608 CO -0.15 0.41 0.01 1.96 -0.00 0.00 0.00 178.16 180.38 1e90 h GLN 609 N 0.78 0.06 -0.30 4.88 4.20 -0.88 0.22 115.11 124.06 1e90 h GLN 609 Ca 0.34 -0.02 0.07 0.00 0.06 0.00 0.00 58.65 59.10 1e90 h GLN 609 Cb 0.32 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.01 1e90 h GLN 609 CO -0.12 0.27 -0.25 1.25 -0.67 0.00 0.00 178.83 179.31 1e90 h LEU 610 N -0.16 -0.82 -1.45 1.46 6.46 0.14 -0.65 115.31 120.29 1e90 h LEU 610 Ca 0.01 0.15 -0.04 0.00 -0.12 0.00 0.00 57.88 57.89 1e90 h LEU 610 Cb 0.24 0.39 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 1e90 h LEU 610 CO 0.00 -0.28 -0.03 -0.07 -0.62 0.00 0.00 178.44 177.44 1e90 h LEU 611 N -0.23 0.29 -0.95 2.25 3.38 -0.18 -3.07 115.31 116.80 1e90 h LEU 611 Ca 0.16 -0.04 0.23 0.00 0.09 0.00 0.00 57.88 58.31 1e90 h LEU 611 Cb 0.47 -0.07 -0.18 0.00 0.09 0.00 0.00 40.66 40.97 1e90 h LEU 611 CO -0.43 0.37 -0.06 0.00 0.09 0.00 0.00 178.44 178.41 1e90 h ALA 612 N 1.67 0.95 -2.07 1.53 0.00 0.11 -3.07 119.26 118.38 1e90 h ALA 612 Ca 0.07 0.34 -0.70 0.00 0.00 0.00 0.00 54.91 54.61 1e90 h ALA 612 Cb 0.27 0.62 -0.19 0.00 0.00 0.00 0.00 17.79 18.48 1e90 h ALA 612 CO 0.01 -0.49 0.54 0.15 0.00 0.00 0.00 179.25 179.46 1e90 s LYS 613 N -6.10 3.46 -0.28 0.00 1.02 -1.16 -4.86 119.74 111.81 1e90 s LYS 613 Ca -0.14 -1.73 0.09 0.00 0.02 0.00 0.00 55.97 54.22 1e90 s LYS 613 Cb 0.27 -4.64 0.48 0.00 -0.52 0.00 0.00 37.83 33.42 1e90 s LYS 613 CO 0.77 -1.65 1.39 0.54 -0.92 0.00 0.00 175.35 175.49 1e90 n ARG 614 N 6.14 1.96 -0.04 1.68 1.74 -1.16 -4.79 116.66 122.19 1e90 n ARG 614 Ca 0.13 -3.33 -0.08 0.00 -0.77 0.00 0.00 57.85 53.81 1e90 n ARG 614 Cb 0.47 -1.82 -0.02 0.00 -1.02 0.00 0.00 32.46 30.07 1e90 n ARG 614 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 1e90 h GLU 615 N 1.14 -0.13 -1.00 5.56 5.08 -1.91 0.40 114.58 123.72 1e90 h GLU 615 Ca 0.19 0.01 0.13 0.00 -1.00 0.00 0.00 59.36 58.68 1e90 h GLU 615 Cb 1.45 0.03 -0.09 0.00 0.50 0.00 0.00 28.75 30.64 1e90 h GLU 615 CO 0.36 -0.08 0.63 0.28 -1.00 0.00 0.00 179.01 179.19 1e90 h VAL 616 N -0.13 0.90 0.04 3.13 2.07 -1.92 -0.21 116.25 120.12 1e90 h VAL 616 Ca 0.12 -0.33 -0.00 0.00 0.82 0.00 0.00 66.70 67.31 1e90 h VAL 616 Cb 0.31 -0.16 0.00 0.00 -1.52 0.00 0.00 31.29 29.92 1e90 h VAL 616 CO -0.29 0.18 -0.02 -0.25 0.02 0.00 0.00 177.57 177.21 1e90 h TRP 617 N 0.97 -0.05 -0.84 1.57 2.91 -1.64 -2.28 115.95 116.61 1e90 h TRP 617 Ca 0.50 -0.00 0.16 0.00 1.13 0.00 0.00 58.89 60.68 1e90 h TRP 617 Cb 0.52 0.02 -0.06 0.00 -0.51 0.00 0.00 29.16 29.13 1e90 h TRP 617 CO -0.00 0.61 0.55 -0.44 -1.03 0.00 0.00 178.44 178.12 1e90 h ASP 618 N -0.80 0.49 0.22 2.65 3.32 0.07 -0.78 116.42 121.59 1e90 h ASP 618 Ca -0.01 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.08 1e90 h ASP 618 Cb 0.68 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.16 1e90 h ASP 618 CO 0.01 0.24 -0.31 0.00 -1.72 0.00 0.00 179.24 177.45 1e90 n GLN 619 N -4.52 0.81 -1.19 3.56 6.02 -0.12 -4.94 117.38 117.01 1e90 n GLN 619 Ca 0.17 -0.51 -0.30 0.00 -0.01 0.00 0.00 57.00 56.35 1e90 n GLN 619 Cb 0.55 -1.49 0.14 0.00 1.02 0.00 0.00 30.24 30.46 1e90 n GLN 619 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 1e90 s SER 620 N -2.54 3.45 0.16 1.08 1.04 -0.30 -5.00 113.70 111.59 1e90 s SER 620 Ca 0.22 1.50 -0.22 0.00 0.48 0.00 0.00 55.95 57.93 1e90 s SER 620 Cb 0.19 -2.18 -0.08 0.00 0.10 0.00 0.00 66.02 64.05 1e90 s SER 620 CO 0.54 -2.65 0.71 0.00 0.98 0.00 0.00 173.24 172.82 1e90 s ALA 621 N -2.92 3.48 0.20 5.32 0.00 -1.26 -4.99 121.76 121.58 1e90 s ALA 621 Ca 0.63 0.22 -0.33 0.00 0.00 0.00 0.00 51.96 52.49 1e90 s ALA 621 Cb -0.18 -2.83 -0.13 0.00 0.00 0.00 0.00 23.12 19.97 1e90 s ALA 621 CO 0.57 0.33 1.55 -0.11 0.00 0.00 0.00 175.76 178.10 1e90 n LEU 622 N 1.40 3.29 -3.65 0.00 7.94 -1.26 -4.97 117.00 119.75 1e90 n LEU 622 Ca -0.06 1.10 -0.29 0.00 -1.11 0.00 0.00 56.01 55.65 1e90 n LEU 622 Cb 0.50 -1.46 -0.14 0.00 0.53 0.00 0.00 43.42 42.85 1e90 n LEU 622 CO 0.44 -0.26 -0.30 -0.62 -1.11 0.00 0.00 177.39 175.54 1e90 s ASP 623 N 0.74 3.65 0.21 1.96 -1.08 -1.26 -5.02 116.67 115.88 1e90 s ASP 623 Ca 0.74 -1.98 -0.12 0.00 -0.52 0.00 0.00 52.55 50.67 1e90 s ASP 623 Cb -0.64 -0.76 0.27 0.00 -1.46 0.00 0.00 42.92 40.33 1e90 s ASP 623 CO 0.41 -0.36 1.64 0.58 0.52 0.00 0.00 175.17 177.96 1e90 h VAL 624 N 5.84 0.41 -0.61 1.11 2.07 -1.98 0.19 116.25 123.29 1e90 h VAL 624 Ca -0.07 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.51 1e90 h VAL 624 Cb 0.98 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 31.05 1e90 h VAL 624 CO 0.43 0.01 0.29 1.23 0.02 0.00 0.00 177.57 179.54 1e90 h GLY 625 N 0.04 0.88 0.88 2.17 0.00 -1.92 0.47 103.07 105.59 1e90 h GLY 625 Ca 0.31 -0.18 -0.06 0.00 0.00 0.00 0.00 47.33 47.40 1e90 h GLY 625 CO -0.61 0.07 -0.06 -2.00 0.00 0.00 0.00 176.54 173.94 1e90 h LEU 626 N 0.53 0.54 -1.05 3.11 6.46 -1.57 -2.67 115.31 120.66 1e90 h LEU 626 Ca 0.29 -0.36 -0.03 0.00 -0.12 0.00 0.00 57.88 57.66 1e90 h LEU 626 Cb 0.27 -0.15 -0.03 0.00 -0.73 0.00 0.00 40.66 40.02 1e90 h LEU 626 CO -0.23 0.77 0.26 0.74 -0.62 0.00 0.00 178.44 179.36 1e90 h THR 627 N 0.30 1.22 -0.61 1.05 2.02 -0.01 -2.47 112.91 114.41 1e90 h THR 627 Ca 0.07 -0.70 -0.05 0.00 0.77 0.00 0.00 66.41 66.51 1e90 h THR 627 Cb 0.53 0.45 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1e90 h THR 627 CO 0.03 0.28 0.18 0.24 0.37 0.00 0.00 175.52 176.62 1e90 h MET 628 N 0.92 0.93 -0.01 6.66 2.86 0.05 -2.61 114.93 123.73 1e90 h MET 628 Ca 0.22 -0.18 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1e90 h MET 628 Cb 0.17 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 31.69 1e90 h MET 628 CO -0.02 0.81 0.01 1.96 1.06 0.00 0.00 176.91 180.73 1e90 h GLN 629 N 0.90 0.00 -0.01 1.72 4.20 -1.09 0.16 115.11 120.99 1e90 h GLN 629 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 1e90 h GLN 629 Cb 0.27 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.05 1e90 h GLN 629 CO -0.01 0.00 -0.03 1.28 -0.67 0.00 0.00 178.83 179.40 1e90 n LEU 630 N -3.92 1.41 -0.47 1.46 4.77 -0.98 -3.90 117.00 115.37 1e90 n LEU 630 Ca -0.03 -0.46 0.04 0.00 -0.03 0.00 0.00 56.01 55.54 1e90 n LEU 630 Cb 0.10 -0.02 0.10 0.00 -2.33 0.00 0.00 43.42 41.28 1e90 n LEU 630 CO 0.28 0.24 0.56 0.18 -1.33 0.00 0.00 177.39 177.31 1e90 n LEU 631 N 0.04 2.51 0.00 2.23 4.77 0.04 -4.51 117.00 122.08 1e90 n LEU 631 Ca 0.18 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.38 1e90 n LEU 631 Cb 0.35 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 1e90 n LEU 631 CO 0.18 0.61 0.00 -0.90 -1.33 0.00 0.00 177.39 175.94 1e90 n ASP 632 N 0.34 0.00 0.17 -1.43 5.68 -1.19 -4.79 116.55 115.34 1e90 n ASP 632 Ca 0.08 -0.51 0.13 0.00 -0.50 0.00 0.00 54.79 54.00 1e90 n ASP 632 Cb 0.35 0.00 0.57 0.00 -1.14 0.00 0.00 41.12 40.90 1e90 n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 1e90 h ASN 634 N 0.00 0.00 -3.88 0.00 4.21 -1.90 -3.30 115.58 110.71 1e90 h ASN 634 Ca 0.00 0.00 -0.61 0.00 1.21 0.00 0.00 56.30 56.90 1e90 h ASN 634 Cb 0.32 0.00 -0.32 0.00 -1.12 0.00 0.00 38.32 37.21 1e90 h ASN 634 CO 0.00 0.00 -0.86 -0.36 -1.29 0.00 0.00 177.43 174.92 1e90 s PHE 635 N -3.29 2.00 0.00 1.19 0.40 -1.21 -4.59 117.98 112.48 1e90 s PHE 635 Ca 0.06 -0.61 0.00 0.00 -0.60 0.00 0.00 56.93 55.78 1e90 s PHE 635 Cb 0.10 -1.34 0.00 0.00 0.51 0.00 0.00 43.02 42.29 1e90 s PHE 635 CO 0.51 -0.21 0.45 0.43 0.70 0.00 0.00 175.22 177.11 1e90 n SER 636 N 3.13 0.84 -4.67 1.36 7.64 -1.26 -4.84 113.62 115.82 1e90 n SER 636 Ca -0.18 -1.14 -0.42 0.00 1.01 0.00 0.00 58.87 58.14 1e90 n SER 636 Cb 0.53 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.69 1e90 n SER 636 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1e90 s ASP 637 N -0.14 7.09 0.28 6.43 -1.08 -1.26 -4.71 116.67 123.28 1e90 s ASP 637 Ca 0.00 1.35 0.01 0.00 -0.52 0.00 0.00 52.55 53.39 1e90 s ASP 637 Cb 0.00 -2.51 0.57 0.00 -1.46 0.00 0.00 42.92 39.52 1e90 s ASP 637 CO 0.00 -0.48 1.82 -0.08 0.52 0.00 0.00 175.17 176.95 1e90 h GLU 638 N 7.28 0.90 -0.22 4.34 4.81 -1.96 -2.21 114.58 127.52 1e90 h GLU 638 Ca -0.28 -0.05 -0.10 0.00 -0.13 0.00 0.00 59.36 58.80 1e90 h GLU 638 Cb 1.12 -0.20 -0.00 0.00 0.63 0.00 0.00 28.75 30.30 1e90 h GLU 638 CO 0.87 0.59 -0.25 -0.97 -0.73 0.00 0.00 179.01 178.53 1e90 h ASN 639 N 0.92 0.60 -0.26 1.04 -1.24 -1.97 -1.78 115.58 112.89 1e90 h ASN 639 Ca 0.50 -0.49 -0.00 0.00 0.71 0.00 0.00 56.30 57.02 1e90 h ASN 639 Cb 0.55 -0.17 -0.01 0.00 0.73 0.00 0.00 38.32 39.42 1e90 h ASN 639 CO -0.29 0.97 0.15 0.58 -1.29 0.00 0.00 177.43 177.55 1e90 h VAL 640 N 0.24 1.11 -0.60 2.57 2.07 -1.87 -2.82 116.25 116.95 1e90 h VAL 640 Ca 0.03 -0.27 -0.08 0.00 0.82 0.00 0.00 66.70 67.20 1e90 h VAL 640 Cb 0.81 0.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1e90 h VAL 640 CO 0.06 0.10 0.06 0.03 0.02 0.00 0.00 177.57 177.85 1e90 h ARG 641 N 0.31 0.99 -0.92 1.57 3.08 -1.46 -2.95 114.38 115.01 1e90 h ARG 641 Ca 0.09 -0.27 0.15 0.00 0.07 0.00 0.00 59.98 60.03 1e90 h ARG 641 Cb 0.04 -0.11 -0.08 0.00 0.08 0.00 0.00 29.97 29.90 1e90 h ARG 641 CO -0.02 0.93 0.59 0.00 -1.07 0.00 0.00 179.97 180.40 1e90 h ALA 642 N 1.14 1.82 0.00 0.04 0.00 -1.07 0.12 119.26 121.30 1e90 h ALA 642 Ca 0.18 0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.07 1e90 h ALA 642 Cb 0.45 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1e90 h ALA 642 CO 0.02 -0.08 -0.19 -0.84 0.00 0.00 0.00 179.25 178.16 1e90 h ILE 643 N 0.70 0.44 0.02 0.00 -0.00 -1.36 -0.84 117.51 116.47 1e90 h ILE 643 Ca 0.47 -1.07 -0.00 0.00 -0.00 0.00 0.00 64.86 64.26 1e90 h ILE 643 Cb 0.76 1.78 0.00 0.00 -0.00 0.00 0.00 36.82 39.36 1e90 h ILE 643 CO -0.23 0.18 -0.01 0.00 -0.00 0.00 0.00 178.15 178.10 1e90 h ALA 644 N 1.81 -0.02 -0.84 0.16 0.00 -0.84 -2.97 119.26 116.56 1e90 h ALA 644 Ca -0.00 -0.30 0.09 0.00 0.00 0.00 0.00 54.91 54.70 1e90 h ALA 644 Cb 0.76 0.01 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1e90 h ALA 644 CO 0.02 -0.20 0.55 0.28 0.00 0.00 0.00 179.25 179.90 1e90 h VAL 645 N -0.65 0.97 -0.77 0.00 2.07 -1.19 -1.21 116.25 115.48 1e90 h VAL 645 Ca -0.00 -0.28 0.13 0.00 0.82 0.00 0.00 66.70 67.36 1e90 h VAL 645 Cb 0.61 0.07 -0.09 0.00 -1.52 0.00 0.00 31.29 30.36 1e90 h VAL 645 CO 0.00 0.15 0.35 -0.61 0.02 0.00 0.00 177.57 177.48 1e90 h GLN 646 N 0.83 0.51 0.00 1.57 4.15 -1.03 -0.27 115.11 120.87 1e90 h GLN 646 Ca 0.38 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.72 1e90 h GLN 646 Cb 0.39 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.96 1e90 h GLN 646 CO -0.15 0.34 -0.27 0.87 -1.93 0.00 0.00 178.83 177.69 1e90 h LYS 647 N 0.53 0.00 0.00 1.69 1.79 -1.08 -2.96 116.57 116.54 1e90 h LYS 647 Ca 0.41 0.00 -0.05 0.00 -2.18 0.00 0.00 60.65 58.83 1e90 h LYS 647 Cb 0.57 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.21 1e90 h LYS 647 CO -0.36 0.27 -0.24 -0.07 -1.08 0.00 0.00 179.45 177.97 1e90 h LEU 648 N 0.00 0.00 -2.32 2.94 3.38 -0.73 -2.82 115.31 115.77 1e90 h LEU 648 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 1e90 h LEU 648 Cb 0.95 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.69 1e90 h LEU 648 CO 0.03 0.24 0.19 -0.33 0.09 0.00 0.00 178.44 178.67 1e90 h GLU 649 N 0.00 0.00 0.00 1.13 4.39 -1.29 -1.07 114.58 117.74 1e90 h GLU 649 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1e90 h GLU 649 Cb 0.71 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 1e90 h GLU 649 CO 0.03 0.00 0.00 1.03 -1.16 0.00 0.00 179.01 178.91 1e90 h SER 650 N 0.00 0.00 -3.36 1.42 0.87 -1.69 -3.46 113.55 107.33 1e90 h SER 650 Ca 0.06 0.00 -0.53 0.00 -1.23 0.00 0.00 61.79 60.09 1e90 h SER 650 Cb 0.45 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 62.46 1e90 h SER 650 CO -0.00 0.00 0.75 -0.76 -0.53 0.00 0.00 176.83 176.29 1e90 s LEU 651 N -5.49 4.39 0.37 2.23 1.43 -0.41 -5.01 118.68 116.20 1e90 s LEU 651 Ca 0.07 2.62 -0.15 0.00 -1.03 0.00 0.00 54.13 55.65 1e90 s LEU 651 Cb 0.08 -3.62 -0.09 0.00 0.03 0.00 0.00 46.19 42.60 1e90 s LEU 651 CO 0.61 -0.68 0.80 -1.83 0.23 0.00 0.00 176.35 175.48 1e90 s GLU 652 N -0.28 4.00 0.31 1.70 -1.05 -1.26 -4.82 118.70 117.29 1e90 s GLU 652 Ca 0.59 0.73 0.08 0.00 -0.15 0.00 0.00 54.97 56.22 1e90 s GLU 652 Cb -0.41 -2.36 0.90 0.00 -0.44 0.00 0.00 34.13 31.82 1e90 s GLU 652 CO 0.42 0.06 1.45 -0.25 0.95 0.00 0.00 175.26 177.89 1e90 n ASP 653 N -0.68 0.04 -0.30 0.83 8.00 -1.26 -0.39 116.55 122.79 1e90 n ASP 653 Ca 0.04 1.56 0.02 0.00 0.71 0.00 0.00 54.79 57.12 1e90 n ASP 653 Cb 0.53 -0.63 0.16 0.00 -0.02 0.00 0.00 41.12 41.16 1e90 n ASP 653 CO 0.00 0.00 0.00 -0.78 -0.39 0.00 0.00 177.20 176.03 1e90 h ASP 654 N 0.00 0.76 0.27 -2.24 3.58 -1.93 -1.21 116.42 115.65 1e90 h ASP 654 Ca 0.64 0.03 -0.25 0.00 0.42 0.00 0.00 57.03 57.88 1e90 h ASP 654 Cb 1.48 -0.12 0.01 0.00 1.72 0.00 0.00 39.33 42.42 1e90 h ASP 654 CO -0.81 0.46 -1.03 0.44 -2.88 0.00 0.00 179.24 175.41 1e90 h ASP 655 N 0.88 0.64 -0.43 2.28 3.32 -1.09 -3.11 116.42 118.92 1e90 h ASP 655 Ca 0.39 -0.54 0.06 0.00 0.02 0.00 0.00 57.03 56.96 1e90 h ASP 655 Cb 0.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.62 1e90 h ASP 655 CO -0.22 1.35 0.29 0.58 -1.72 0.00 0.00 179.24 179.52 1e90 h VAL 656 N 0.26 0.97 -0.52 -1.35 2.07 -0.82 -0.60 116.25 116.25 1e90 h VAL 656 Ca -0.11 -0.12 -0.07 0.00 0.82 0.00 0.00 66.70 67.22 1e90 h VAL 656 Cb 1.68 0.59 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1e90 h VAL 656 CO 0.18 0.06 0.03 -0.07 0.02 0.00 0.00 177.57 177.80 1e90 h LEU 657 N 0.35 0.82 -0.58 2.57 3.38 -1.17 0.21 115.31 120.89 1e90 h LEU 657 Ca 0.19 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 1e90 h LEU 657 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 1e90 h LEU 657 CO -0.04 0.86 0.01 0.45 0.09 0.00 0.00 178.44 179.81 1e90 h HIS 658 N 0.80 1.10 -0.43 1.13 3.86 -1.13 -3.23 115.15 117.25 1e90 h HIS 658 Ca 0.16 -0.19 0.00 0.00 -1.16 0.00 0.00 60.37 59.18 1e90 h HIS 658 Cb 0.43 -0.29 0.00 0.00 1.06 0.00 0.00 27.41 28.62 1e90 h HIS 658 CO 0.02 0.98 0.00 0.66 0.86 0.00 0.00 177.93 180.45 1e90 n TYR 659 N -4.24 0.56 0.03 2.45 4.02 -1.03 -4.64 117.16 114.32 1e90 n TYR 659 Ca 0.02 -0.33 -0.11 0.00 -0.01 0.00 0.00 57.90 57.47 1e90 n TYR 659 Cb 0.33 -0.01 -0.04 0.00 -0.02 0.00 0.00 39.34 39.60 1e90 n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1e90 h LEU 660 N 3.78 -0.89 -0.02 7.72 5.85 -0.60 0.05 115.31 131.20 1e90 h LEU 660 Ca 0.00 0.13 0.03 0.00 0.84 0.00 0.00 57.88 58.88 1e90 h LEU 660 Cb 0.90 0.37 -0.05 0.00 0.37 0.00 0.00 40.66 42.24 1e90 h LEU 660 CO 0.00 -0.35 -0.36 0.25 -0.34 0.00 0.00 178.44 177.64 1e90 h LEU 661 N -0.41 -1.09 -0.35 2.25 5.85 -1.82 0.20 115.31 119.94 1e90 h LEU 661 Ca 0.08 0.14 0.05 0.00 0.84 0.00 0.00 57.88 58.99 1e90 h LEU 661 Cb 0.52 0.44 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1e90 h LEU 661 CO -0.29 -0.41 0.06 1.56 -0.34 0.00 0.00 178.44 179.01 1e90 h GLN 662 N -0.50 0.16 -0.50 1.25 1.08 -1.83 -0.95 115.11 113.83 1e90 h GLN 662 Ca 0.06 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.24 1e90 h GLN 662 Cb 0.60 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.97 1e90 h GLN 662 CO -0.30 0.11 0.26 -0.07 -0.95 0.00 0.00 178.83 177.88 1e90 h LEU 663 N 0.17 0.61 -1.09 1.46 3.38 -0.44 -0.56 115.31 118.85 1e90 h LEU 663 Ca 0.17 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 1e90 h LEU 663 Cb 0.20 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 1e90 h LEU 663 CO -0.23 0.50 -0.35 0.58 0.09 0.00 0.00 178.44 179.03 1e90 h VAL 664 N 0.69 1.28 -0.02 1.22 2.07 0.23 -2.47 116.25 119.25 1e90 h VAL 664 Ca 0.18 -1.35 -0.19 0.00 0.82 0.00 0.00 66.70 66.16 1e90 h VAL 664 Cb 0.03 1.61 -0.01 0.00 -1.52 0.00 0.00 31.29 31.40 1e90 h VAL 664 CO -0.03 0.40 -0.82 1.56 0.02 0.00 0.00 177.57 178.70 1e90 h GLN 665 N 0.16 0.25 0.00 1.57 1.08 -0.05 -3.11 115.11 115.00 1e90 h GLN 665 Ca 0.02 -0.24 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 1e90 h GLN 665 Cb 0.71 0.06 0.00 0.00 -0.05 0.00 0.00 27.48 28.20 1e90 h GLN 665 CO 0.05 0.94 0.06 0.00 -0.95 0.00 0.00 178.83 178.93 1e90 h ALA 666 N 0.99 1.06 0.00 3.87 0.00 -0.66 -1.04 119.26 123.47 1e90 h ALA 666 Ca -0.04 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 1e90 h ALA 666 Cb 1.42 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.20 1e90 h ALA 666 CO 0.13 -0.06 -0.14 0.28 0.00 0.00 0.00 179.25 179.46 1e90 h VAL 667 N 0.00 0.79 0.00 0.00 2.07 -1.53 -1.18 116.25 116.41 1e90 h VAL 667 Ca 0.00 -0.56 0.00 0.00 0.82 0.00 0.00 66.70 66.96 1e90 h VAL 667 Cb 0.13 1.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1e90 h VAL 667 CO 0.00 0.14 0.00 0.11 0.02 0.00 0.00 177.57 177.84 1e90 h LYS 668 N 0.00 0.00 -0.01 1.57 1.57 -1.41 -1.54 116.57 116.75 1e90 h LYS 668 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1e90 h LYS 668 Cb 0.32 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.63 1e90 h LYS 668 CO 0.02 0.00 -0.28 1.19 -0.57 0.00 0.00 179.45 179.81 1e90 n PHE 669 N -2.94 0.00 -2.77 -1.35 0.99 -0.44 -4.82 117.46 106.13 1e90 n PHE 669 Ca -0.01 0.00 -0.41 0.00 -0.00 0.00 0.00 57.45 57.03 1e90 n PHE 669 Cb 0.16 -0.14 -0.04 0.00 -1.00 0.00 0.00 39.48 38.45 1e90 n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1e90 s GLU 670 N -2.56 4.66 0.34 -1.08 0.41 -0.58 -4.85 118.70 115.03 1e90 s GLU 670 Ca 0.23 1.39 0.26 0.00 -0.41 0.00 0.00 54.97 56.44 1e90 s GLU 670 Cb 0.19 -3.38 0.88 0.00 -1.78 0.00 0.00 34.13 30.04 1e90 s GLU 670 CO 0.54 0.21 1.77 -1.00 -0.49 0.00 0.00 175.26 176.28 1e90 h PRO 671 N 5.67 0.00 -5.27 0.39 0.13 -1.88 -3.45 132.00 127.59 1e90 h PRO 671 Ca -0.43 0.00 -0.41 0.00 -0.87 0.00 0.00 66.00 64.29 1e90 h PRO 671 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1e90 h PRO 671 CO 0.72 0.00 -0.78 0.71 -0.23 0.00 0.00 178.00 178.42 1e90 s TYR 672 N -3.29 1.17 0.16 1.56 1.51 -1.26 -4.98 117.35 112.22 1e90 s TYR 672 Ca 0.06 -0.41 -0.16 0.00 -1.01 0.00 0.00 57.07 55.55 1e90 s TYR 672 Cb 0.09 -0.68 0.06 0.00 -0.11 0.00 0.00 41.96 41.32 1e90 s TYR 672 CO 0.54 0.04 1.77 0.45 -1.11 0.00 0.00 175.55 177.24 1e90 h HIS 673 N 4.58 0.31 -3.42 2.71 3.86 -1.93 -3.38 115.15 117.88 1e90 h HIS 673 Ca -0.39 0.02 -0.59 0.00 -1.16 0.00 0.00 60.37 58.24 1e90 h HIS 673 Cb 1.19 -0.08 -0.09 0.00 1.06 0.00 0.00 27.41 29.48 1e90 h HIS 673 CO 0.59 0.15 0.06 0.34 0.86 0.00 0.00 177.93 179.93 1e90 s ASP 674 N -5.41 6.68 0.27 2.45 2.15 -1.26 -4.89 116.67 116.66 1e90 s ASP 674 Ca -0.13 0.82 -0.12 0.00 0.43 0.00 0.00 52.55 53.55 1e90 s ASP 674 Cb 0.12 -2.33 0.00 0.00 -0.30 0.00 0.00 42.92 40.40 1e90 s ASP 674 CO 0.71 -0.22 0.50 -0.94 -0.17 0.00 0.00 175.17 175.06 1e90 s SER 675 N 1.11 0.04 0.05 -0.34 1.04 -1.26 -5.03 113.70 109.31 1e90 s SER 675 Ca 0.28 -1.00 -0.24 0.00 0.48 0.00 0.00 55.95 55.46 1e90 s SER 675 Cb -0.16 0.62 -0.17 0.00 0.10 0.00 0.00 66.02 66.41 1e90 s SER 675 CO 0.11 -1.20 1.58 0.00 0.98 0.00 0.00 173.24 174.71 1e90 h ALA 676 N 2.22 -0.07 -0.84 5.32 0.00 -1.95 -0.91 119.26 123.02 1e90 h ALA 676 Ca -0.26 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 54.59 1e90 h ALA 676 Cb 1.25 0.03 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1e90 h ALA 676 CO 0.36 -0.46 0.54 1.25 0.00 0.00 0.00 179.25 180.94 1e90 h LEU 677 N -0.22 0.90 -0.66 0.00 5.85 -1.96 0.28 115.31 119.51 1e90 h LEU 677 Ca -0.01 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1e90 h LEU 677 Cb 0.19 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1e90 h LEU 677 CO 0.01 0.62 0.37 0.00 -0.34 0.00 0.00 178.44 179.10 1e90 h ALA 678 N 1.35 0.84 -0.05 1.25 0.00 -1.86 -1.80 119.26 119.00 1e90 h ALA 678 Ca 0.33 -0.10 -0.16 0.00 0.00 0.00 0.00 54.91 54.99 1e90 h ALA 678 Cb -0.00 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1e90 h ALA 678 CO -0.11 0.35 -0.67 0.00 0.00 0.00 0.00 179.25 178.82 1e90 h ARG 679 N 0.90 0.20 -0.62 0.00 3.08 -0.37 -2.58 114.38 114.99 1e90 h ARG 679 Ca 0.23 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.10 1e90 h ARG 679 Cb 0.03 0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.08 1e90 h ARG 679 CO -0.04 0.80 0.30 0.35 -1.07 0.00 0.00 179.97 180.31 1e90 h PHE 680 N 0.14 0.90 -0.07 3.04 3.57 -0.04 0.41 116.94 124.89 1e90 h PHE 680 Ca -0.01 -0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 1e90 h PHE 680 Cb 1.20 -0.28 -0.00 0.00 2.79 0.00 0.00 35.95 39.66 1e90 h PHE 680 CO 0.02 0.67 -0.02 -0.07 -2.23 0.00 0.00 178.31 176.69 1e90 h LEU 681 N 0.86 0.13 -0.28 0.59 3.38 -1.30 -0.90 115.31 117.79 1e90 h LEU 681 Ca 0.22 -0.37 0.06 0.00 0.09 0.00 0.00 57.88 57.87 1e90 h LEU 681 Cb 0.11 -0.04 -0.06 0.00 0.09 0.00 0.00 40.66 40.76 1e90 h LEU 681 CO -0.03 0.47 -0.14 0.25 0.09 0.00 0.00 178.44 179.08 1e90 h LEU 682 N -0.22 -0.48 -0.05 1.67 6.46 -1.33 -0.19 115.31 121.19 1e90 h LEU 682 Ca 0.02 0.11 0.03 0.00 -0.12 0.00 0.00 57.88 57.92 1e90 h LEU 682 Cb 0.42 0.26 -0.03 0.00 -0.73 0.00 0.00 40.66 40.57 1e90 h LEU 682 CO 0.01 -0.18 -0.13 0.50 -0.62 0.00 0.00 178.44 178.02 1e90 h LYS 683 N -0.11 -0.19 0.00 1.25 3.64 -0.84 -2.06 116.57 118.27 1e90 h LYS 683 Ca 0.15 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 1e90 h LYS 683 Cb 0.33 0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 32.19 1e90 h LYS 683 CO -0.35 -0.12 -0.04 0.00 -2.27 0.00 0.00 179.45 176.67 1e90 h ARG 684 N -0.19 0.00 0.11 1.90 2.47 -0.69 -1.88 114.38 116.10 1e90 h ARG 684 Ca 0.06 0.00 -0.30 0.00 -1.26 0.00 0.00 59.98 58.49 1e90 h ARG 684 Cb 0.28 0.00 0.03 0.00 -1.65 0.00 0.00 29.97 28.62 1e90 h ARG 684 CO -0.16 0.04 -1.22 0.78 0.56 0.00 0.00 179.97 179.97 1e90 h GLY 685 N 1.37 0.71 2.00 0.04 0.00 -0.48 -3.00 103.07 103.72 1e90 h GLY 685 Ca -0.00 -1.46 -0.06 0.00 0.00 0.00 0.00 47.33 45.80 1e90 h GLY 685 CO 0.01 1.29 -0.30 1.41 0.00 0.00 0.00 176.54 178.94 1e90 h LEU 686 N 0.27 0.00 -0.17 3.11 3.38 -1.13 -3.04 115.31 117.72 1e90 h LEU 686 Ca -0.19 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1e90 h LEU 686 Cb 1.90 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.65 1e90 h LEU 686 CO 0.24 0.30 -0.17 -1.14 0.09 0.00 0.00 178.44 177.75 1e90 n ARG 687 N -3.39 0.46 -3.65 1.13 0.63 -0.73 -4.84 116.66 106.27 1e90 n ARG 687 Ca 0.00 -0.17 -0.06 0.00 -0.92 0.00 0.00 57.85 56.70 1e90 n ARG 687 Cb 0.50 -1.50 -0.07 0.00 0.45 0.00 0.00 32.46 31.85 1e90 n ARG 687 CO 0.00 0.00 0.00 1.21 -2.51 0.00 0.00 177.63 176.33 1e90 s ASN 688 N -2.66 -0.91 0.27 6.15 3.84 -1.14 -4.97 114.94 115.53 1e90 s ASN 688 Ca 0.23 1.44 -0.01 0.00 0.21 0.00 0.00 52.86 54.73 1e90 s ASN 688 Cb 0.19 1.52 0.38 0.00 -0.55 0.00 0.00 41.25 42.79 1e90 s ASN 688 CO 0.53 -0.23 1.78 0.11 -2.79 0.00 0.00 177.10 176.50 1e90 h LYS 689 N 7.29 0.74 -0.19 0.43 1.57 -1.85 0.37 116.57 124.93 1e90 h LYS 689 Ca -0.27 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.24 1e90 h LYS 689 Cb 1.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 33.41 1e90 h LYS 689 CO 0.16 0.76 -0.17 -0.09 -0.57 0.00 0.00 179.45 179.53 1e90 h ARG 690 N 0.70 0.45 -0.70 3.15 2.43 -1.91 0.18 114.38 118.67 1e90 h ARG 690 Ca 0.14 -0.23 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 1e90 h ARG 690 Cb 0.43 0.01 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 1e90 h ARG 690 CO 0.02 0.80 0.42 0.82 -1.51 0.00 0.00 179.97 180.52 1e90 h ILE 691 N 0.12 1.20 -0.67 1.20 2.04 -1.84 -2.79 117.51 116.77 1e90 h ILE 691 Ca 0.03 -0.45 -0.08 0.00 1.00 0.00 0.00 64.86 65.36 1e90 h ILE 691 Cb 0.71 0.23 -0.03 0.00 -0.74 0.00 0.00 36.82 37.00 1e90 h ILE 691 CO 0.04 0.21 0.11 1.23 0.00 0.00 0.00 178.15 179.74 1e90 h GLY 692 N 0.96 1.19 0.93 5.37 0.00 -0.75 -1.11 103.07 109.66 1e90 h GLY 692 Ca 0.25 -0.79 0.01 0.00 0.00 0.00 0.00 47.33 46.80 1e90 h GLY 692 CO -0.05 0.73 0.06 0.84 0.00 0.00 0.00 176.54 178.12 1e90 h HIS 693 N 1.03 0.11 -0.01 5.60 -0.00 -0.41 -1.31 115.15 120.16 1e90 h HIS 693 Ca 0.20 0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.45 1e90 h HIS 693 Cb 0.44 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.81 1e90 h HIS 693 CO 0.03 0.06 -0.60 0.74 -0.00 0.00 0.00 177.93 178.16 1e90 h PHE 694 N 0.13 0.04 -0.38 5.26 -1.00 -1.44 -2.77 116.94 116.78 1e90 h PHE 694 Ca 0.05 -0.02 -0.05 0.00 2.81 0.00 0.00 57.97 60.76 1e90 h PHE 694 Cb 0.02 -0.01 -0.02 0.00 3.61 0.00 0.00 35.95 39.55 1e90 h PHE 694 CO -0.09 0.63 0.00 1.25 -1.61 0.00 0.00 178.31 178.49 1e90 h LEU 695 N 0.02 0.56 0.95 1.54 5.85 -0.91 0.14 115.31 123.46 1e90 h LEU 695 Ca -0.01 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.56 1e90 h LEU 695 Cb 1.07 -0.15 0.01 0.00 0.37 0.00 0.00 40.66 41.97 1e90 h LEU 695 CO 0.08 0.63 -0.46 0.15 -0.34 0.00 0.00 178.44 178.50 1e90 h PHE 696 N 0.57 -1.19 -0.73 1.25 3.57 -0.96 -1.67 116.94 117.77 1e90 h PHE 696 Ca 0.12 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 1e90 h PHE 696 Cb 0.36 0.39 -0.03 0.00 2.79 0.00 0.00 35.95 39.46 1e90 h PHE 696 CO 0.01 -0.74 0.25 -1.49 -2.23 0.00 0.00 178.31 174.11 1e90 h TRP 697 N -1.32 1.15 -0.25 0.41 4.06 -1.38 0.10 115.95 118.73 1e90 h TRP 697 Ca -0.13 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 60.74 1e90 h TRP 697 Cb 0.98 -0.34 -0.03 0.00 -1.00 0.00 0.00 29.16 28.78 1e90 h TRP 697 CO -0.00 0.90 0.09 0.74 -3.56 0.00 0.00 178.44 176.61 1e90 h PHE 698 N 1.08 0.17 -0.37 0.49 0.05 -0.73 0.83 116.94 118.46 1e90 h PHE 698 Ca 0.24 0.01 -0.09 0.00 3.82 0.00 0.00 57.97 61.95 1e90 h PHE 698 Cb 0.27 -0.04 -0.01 0.00 2.00 0.00 0.00 35.95 38.17 1e90 h PHE 698 CO 0.02 0.08 -0.12 -0.07 -0.18 0.00 0.00 178.31 178.05 1e90 h LEU 699 N 0.21 0.74 -1.61 1.54 3.38 -1.08 -3.07 115.31 115.42 1e90 h LEU 699 Ca 0.11 -0.38 -0.02 0.00 0.09 0.00 0.00 57.88 57.68 1e90 h LEU 699 Cb 0.07 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 1e90 h LEU 699 CO -0.10 0.95 0.05 -0.09 0.09 0.00 0.00 178.44 179.33 1e90 h ARG 700 N 0.52 0.30 -0.66 1.13 2.43 -0.37 0.44 114.38 118.17 1e90 h ARG 700 Ca 0.09 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.15 1e90 h ARG 700 Cb 0.64 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 30.10 1e90 h ARG 700 CO 0.04 0.28 0.12 0.66 -1.51 0.00 0.00 179.97 179.56 1e90 h SER 701 N 0.30 1.03 0.49 -3.80 4.64 -0.75 -1.30 113.55 114.15 1e90 h SER 701 Ca 0.07 -0.23 -0.20 0.00 -0.47 0.00 0.00 61.79 60.96 1e90 h SER 701 Cb 0.12 -0.27 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 1e90 h SER 701 CO -0.00 1.01 -0.89 -0.33 -0.87 0.00 0.00 176.83 175.75 1e90 h GLU 702 N 1.01 0.27 -0.53 4.77 4.39 -1.32 -2.97 114.58 120.20 1e90 h GLU 702 Ca 0.20 -0.29 -0.08 0.00 0.34 0.00 0.00 59.36 59.53 1e90 h GLU 702 Cb 0.41 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 29.12 1e90 h GLU 702 CO 0.01 1.00 0.00 0.82 -1.16 0.00 0.00 179.01 179.68 1e90 h ILE 703 N 0.15 1.25 -0.25 3.13 1.08 -0.67 -1.14 117.51 121.06 1e90 h ILE 703 Ca -0.05 -1.07 -0.13 0.00 -0.39 0.00 0.00 64.86 63.22 1e90 h ILE 703 Cb 1.51 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 36.10 1e90 h ILE 703 CO 0.14 0.38 -0.34 0.00 -0.69 0.00 0.00 178.15 177.64 1e90 h ALA 704 N 1.16 0.38 -0.17 1.87 0.00 -1.24 -3.37 119.26 117.89 1e90 h ALA 704 Ca 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1e90 h ALA 704 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1e90 h ALA 704 CO 0.02 0.44 0.00 0.00 0.00 0.00 0.00 179.25 179.71 1e90 n GLN 705 N -4.25 2.83 -3.81 0.00 10.64 -1.12 -4.46 117.38 117.21 1e90 n GLN 705 Ca -0.05 -1.91 -0.30 0.00 -1.83 0.00 0.00 57.00 52.92 1e90 n GLN 705 Cb 0.50 -1.21 -0.13 0.00 -0.86 0.00 0.00 30.24 28.54 1e90 n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 1e90 s SER 706 N -1.18 3.95 0.52 2.61 0.15 -0.43 -4.93 113.70 114.38 1e90 s SER 706 Ca 0.15 -2.74 0.34 0.00 0.70 0.00 0.00 55.95 54.40 1e90 s SER 706 Cb 0.10 -1.28 1.63 0.00 -1.71 0.00 0.00 66.02 64.75 1e90 s SER 706 CO 0.08 -0.26 2.03 0.08 1.20 0.00 0.00 173.24 176.37 1e90 h ARG 707 N 6.69 0.00 0.00 5.44 0.11 -1.86 0.60 114.38 125.36 1e90 h ARG 707 Ca -0.04 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.92 1e90 h ARG 707 Cb 0.92 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 31.98 1e90 h ARG 707 CO 0.56 0.00 -0.55 0.45 0.10 0.00 0.00 179.97 180.54 1e90 h HIS 708 N 0.00 0.00 0.00 4.08 3.86 -1.93 -3.37 115.15 117.79 1e90 h HIS 708 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1e90 h HIS 708 Cb 0.27 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.74 1e90 h HIS 708 CO 0.00 0.55 0.00 0.66 0.86 0.00 0.00 177.93 180.00 1e90 n TYR 709 N -3.64 0.00 -0.07 2.45 4.02 -0.94 -4.56 117.16 114.43 1e90 n TYR 709 Ca -0.01 -0.12 -0.01 0.00 -0.01 0.00 0.00 57.90 57.75 1e90 n TYR 709 Cb 0.61 -0.01 0.26 0.00 -0.02 0.00 0.00 39.34 40.17 1e90 n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 1e90 h GLN 710 N 0.00 0.69 -0.12 -0.72 3.07 -1.05 -1.87 115.11 115.11 1e90 h GLN 710 Ca 0.00 -0.13 -0.00 0.00 0.09 0.00 0.00 58.65 58.61 1e90 h GLN 710 Cb 0.86 -0.11 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 1e90 h GLN 710 CO 0.00 0.63 0.05 1.96 0.09 0.00 0.00 178.83 181.56 1e90 h GLN 711 N 0.67 0.17 -0.14 0.06 4.20 -1.85 0.12 115.11 118.34 1e90 h GLN 711 Ca 0.15 -0.03 -0.01 0.00 0.06 0.00 0.00 58.65 58.83 1e90 h GLN 711 Cb 0.25 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.00 1e90 h GLN 711 CO -0.00 0.24 0.05 -0.09 -0.67 0.00 0.00 178.83 178.35 1e90 h ARG 712 N 0.06 0.22 -0.73 1.46 2.43 -1.89 -2.78 114.38 113.15 1e90 h ARG 712 Ca 0.04 -0.05 -0.06 0.00 -0.81 0.00 0.00 59.98 59.10 1e90 h ARG 712 Cb 0.13 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.61 1e90 h ARG 712 CO -0.00 0.35 0.22 0.74 -1.51 0.00 0.00 179.97 179.76 1e90 h PHE 713 N 0.05 1.19 -0.83 2.20 0.05 -1.31 -2.68 116.94 115.61 1e90 h PHE 713 Ca 0.05 -0.13 0.07 0.00 3.82 0.00 0.00 57.97 61.78 1e90 h PHE 713 Cb 0.22 -0.34 -0.05 0.00 2.00 0.00 0.00 35.95 37.77 1e90 h PHE 713 CO -0.00 0.95 0.54 0.00 -0.18 0.00 0.00 178.31 179.62 1e90 h ALA 714 N 1.11 1.61 -0.27 2.45 0.00 -0.70 0.27 119.26 123.74 1e90 h ALA 714 Ca 0.23 -0.02 -0.13 0.00 0.00 0.00 0.00 54.91 55.00 1e90 h ALA 714 Cb 0.32 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1e90 h ALA 714 CO -0.01 0.25 -0.37 0.28 0.00 0.00 0.00 179.25 179.41 1e90 h VAL 715 N 0.89 1.29 -0.09 0.00 2.07 -1.20 -1.46 116.25 117.76 1e90 h VAL 715 Ca 0.36 -1.51 -0.19 0.00 0.82 0.00 0.00 66.70 66.19 1e90 h VAL 715 Cb 0.27 1.48 -0.00 0.00 -1.52 0.00 0.00 31.29 31.52 1e90 h VAL 715 CO -0.14 0.48 -0.73 0.40 0.02 0.00 0.00 177.57 177.60 1e90 h ILE 716 N 0.50 1.36 0.03 4.57 5.03 -0.81 -2.69 117.51 125.51 1e90 h ILE 716 Ca 0.05 -2.10 -0.00 0.00 -0.12 0.00 0.00 64.86 62.68 1e90 h ILE 716 Cb 0.86 2.08 0.00 0.00 -3.03 0.00 0.00 36.82 36.74 1e90 h ILE 716 CO 0.07 0.64 -0.02 0.25 -0.68 0.00 0.00 178.15 178.42 1e90 h LEU 717 N 0.32 -0.04 -0.48 1.44 6.46 -0.41 -2.69 115.31 119.92 1e90 h LEU 717 Ca -0.03 -0.36 0.10 0.00 -0.12 0.00 0.00 57.88 57.47 1e90 h LEU 717 Cb 1.32 0.01 -0.09 0.00 -0.73 0.00 0.00 40.66 41.16 1e90 h LEU 717 CO 0.13 0.34 -0.14 -0.08 -0.62 0.00 0.00 178.44 178.07 1e90 h GLU 718 N -0.42 -0.02 -0.99 1.25 4.81 -1.32 0.31 114.58 118.20 1e90 h GLU 718 Ca -0.00 0.00 0.21 0.00 -0.13 0.00 0.00 59.36 59.44 1e90 h GLU 718 Cb 0.39 0.01 -0.09 0.00 0.63 0.00 0.00 28.75 29.68 1e90 h GLU 718 CO 0.01 -0.01 0.62 0.00 -0.73 0.00 0.00 179.01 178.89 1e90 h ALA 719 N 1.43 1.94 0.05 2.92 0.00 -1.39 0.41 119.26 124.62 1e90 h ALA 719 Ca 0.23 0.06 -0.24 0.00 0.00 0.00 0.00 54.91 54.96 1e90 h ALA 719 Cb 0.37 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1e90 h ALA 719 CO -0.51 -0.31 -1.05 -0.92 0.00 0.00 0.00 179.25 176.47 1e90 h TYR 720 N 0.58 0.55 0.00 0.00 3.20 -0.18 -3.25 116.97 117.87 1e90 h TYR 720 Ca 0.56 -0.34 -0.04 0.00 3.14 0.00 0.00 58.73 62.06 1e90 h TYR 720 Cb 1.12 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 39.34 1e90 h TYR 720 CO -0.00 1.19 -0.18 -0.07 -1.64 0.00 0.00 178.16 177.46 1e90 h LEU 721 N 0.16 0.00 -1.49 2.82 3.38 0.11 -2.64 115.31 117.65 1e90 h LEU 721 Ca -0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.87 1e90 h LEU 721 Cb 1.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.47 1e90 h LEU 721 CO 0.18 0.18 0.00 0.54 0.09 0.00 0.00 178.44 179.43 1e90 n ARG 722 N -3.36 1.98 -0.23 1.13 1.74 -0.10 -4.09 116.66 113.74 1e90 n ARG 722 Ca 0.00 -0.90 0.00 0.00 -0.77 0.00 0.00 57.85 56.19 1e90 n ARG 722 Cb 0.40 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.26 1e90 n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1e90 n GLY 723 N 0.37 0.97 0.09 -0.13 0.00 -1.02 -4.85 105.19 100.63 1e90 n GLY 723 Ca 0.08 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.13 1e90 n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e90 n GLY 725 N 1.36 1.96 0.08 0.00 0.00 -1.26 -4.64 105.19 102.69 1e90 n GLY 725 Ca -0.09 -2.17 -0.07 0.00 0.00 0.00 0.00 46.02 43.69 1e90 n GLY 725 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1e90 h THR 726 N 0.33 1.16 0.46 2.61 2.02 -1.54 -2.89 112.91 115.06 1e90 h THR 726 Ca 0.00 -2.92 -0.02 0.00 0.77 0.00 0.00 66.41 64.24 1e90 h THR 726 Cb 0.00 2.56 0.00 0.00 -1.74 0.00 0.00 68.15 68.97 1e90 h THR 726 CO 0.00 0.66 -0.22 0.00 0.37 0.00 0.00 175.52 176.33 1e90 h ALA 727 N 1.04 -0.61 -0.27 6.16 0.00 -1.54 -1.40 119.26 122.63 1e90 h ALA 727 Ca -0.16 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1e90 h ALA 727 Cb 1.87 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.89 1e90 h ALA 727 CO 0.10 -0.75 -0.17 0.52 0.00 0.00 0.00 179.25 178.95 1e90 h MET 728 N -0.81 0.48 0.00 0.00 2.07 -1.83 -0.87 114.93 113.98 1e90 h MET 728 Ca -0.06 -0.15 -0.01 0.00 -2.07 0.00 0.00 59.70 57.41 1e90 h MET 728 Cb 0.56 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1e90 h MET 728 CO 0.10 0.64 -0.04 1.25 1.07 0.00 0.00 176.91 179.93 1e90 h LEU 729 N 0.44 0.00 0.17 1.22 5.85 -1.40 -0.97 115.31 120.61 1e90 h LEU 729 Ca 0.08 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.45 1e90 h LEU 729 Cb 0.55 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 1e90 h LEU 729 CO 0.04 0.04 -1.75 -0.74 -0.34 0.00 0.00 178.44 175.68 1e90 h HIS 730 N 0.00 0.64 -0.06 1.25 2.76 -0.05 -3.17 115.15 116.52 1e90 h HIS 730 Ca -0.00 -0.47 -0.00 0.00 -2.20 0.00 0.00 60.37 57.70 1e90 h HIS 730 Cb 0.14 -0.03 -0.00 0.00 1.55 0.00 0.00 27.41 29.07 1e90 h HIS 730 CO 0.00 1.69 0.04 -0.44 -1.30 0.00 0.00 177.93 177.91 1e90 h ASP 731 N 0.04 0.08 -0.88 3.26 3.32 -0.72 -1.38 116.42 120.14 1e90 h ASP 731 Ca -0.36 -0.06 0.13 0.00 0.02 0.00 0.00 57.03 56.76 1e90 h ASP 731 Cb 2.04 -0.02 -0.07 0.00 0.22 0.00 0.00 39.33 41.50 1e90 h ASP 731 CO 0.14 0.11 0.57 -0.26 -1.72 0.00 0.00 179.24 178.09 1e90 h PHE 732 N 0.03 0.84 -0.05 4.55 0.05 -1.35 0.10 116.94 121.11 1e90 h PHE 732 Ca 0.02 0.02 -0.01 0.00 3.82 0.00 0.00 57.97 61.83 1e90 h PHE 732 Cb 0.05 -0.27 -0.00 0.00 2.00 0.00 0.00 35.95 37.73 1e90 h PHE 732 CO -0.05 0.34 0.01 1.15 -0.18 0.00 0.00 178.31 179.57 1e90 h THR 733 N 0.73 1.19 -0.66 -1.55 2.02 -1.38 -0.04 112.91 113.23 1e90 h THR 733 Ca 0.43 -0.59 0.02 0.00 0.77 0.00 0.00 66.41 67.04 1e90 h THR 733 Cb 0.62 1.50 -0.04 0.00 -1.74 0.00 0.00 68.15 68.49 1e90 h THR 733 CO -0.19 0.16 0.42 1.56 0.37 0.00 0.00 175.52 177.84 1e90 h GLN 734 N -0.14 0.81 -0.16 6.66 1.08 -0.12 -0.74 115.11 122.50 1e90 h GLN 734 Ca 0.02 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.15 1e90 h GLN 734 Cb 0.25 -0.18 -0.01 0.00 -0.05 0.00 0.00 27.48 27.49 1e90 h GLN 734 CO 0.00 0.54 0.04 1.96 -0.95 0.00 0.00 178.83 180.42 1e90 h GLN 735 N 0.84 0.25 -0.68 1.46 4.20 -0.74 -0.70 115.11 119.74 1e90 h GLN 735 Ca 0.26 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.90 1e90 h GLN 735 Cb -0.03 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.69 1e90 h GLN 735 CO -0.08 0.38 0.39 0.28 -0.67 0.00 0.00 178.83 179.13 1e90 h VAL 736 N 0.07 1.20 0.36 -0.54 2.07 -0.72 0.64 116.25 119.33 1e90 h VAL 736 Ca 0.05 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 67.09 1e90 h VAL 736 Cb 0.24 0.29 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 1e90 h VAL 736 CO -0.00 0.22 -0.32 1.56 0.02 0.00 0.00 177.57 179.04 1e90 h GLN 737 N 0.92 -0.68 -0.46 1.57 4.20 -0.99 0.14 115.11 119.82 1e90 h GLN 737 Ca 0.24 0.05 0.07 0.00 0.06 0.00 0.00 58.65 59.07 1e90 h GLN 737 Cb 0.00 0.15 -0.06 0.00 0.30 0.00 0.00 27.48 27.87 1e90 h GLN 737 CO -0.04 -0.45 0.10 0.28 -0.67 0.00 0.00 178.83 178.05 1e90 h VAL 738 N -0.70 0.77 0.78 -0.54 2.07 -0.84 -1.79 116.25 115.99 1e90 h VAL 738 Ca -0.03 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.38 1e90 h VAL 738 Cb 0.62 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.89 1e90 h VAL 738 CO -0.04 0.04 -0.50 0.40 0.02 0.00 0.00 177.57 177.50 1e90 h ILE 739 N 0.24 0.01 -0.33 4.57 1.08 -0.54 -1.94 117.51 120.60 1e90 h ILE 739 Ca 0.23 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.76 1e90 h ILE 739 Cb 0.28 0.01 -0.08 0.00 -3.07 0.00 0.00 36.82 33.96 1e90 h ILE 739 CO -0.28 0.00 -0.38 0.44 -0.69 0.00 0.00 178.15 177.23 1e90 h ASP 740 N -1.20 -1.25 -0.69 1.72 3.32 -0.54 0.24 116.42 118.02 1e90 h ASP 740 Ca -0.10 0.19 0.12 0.00 0.02 0.00 0.00 57.03 57.26 1e90 h ASP 740 Cb 0.97 0.55 -0.08 0.00 0.22 0.00 0.00 39.33 40.98 1e90 h ASP 740 CO 0.09 -0.36 0.27 0.24 -1.72 0.00 0.00 179.24 177.76 1e90 h MET 741 N -0.34 0.43 0.00 3.56 2.86 -1.32 -0.45 114.93 119.66 1e90 h MET 741 Ca 0.13 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1e90 h MET 741 Cb 0.57 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 32.13 1e90 h MET 741 CO -0.51 0.28 -0.34 -0.07 1.06 0.00 0.00 176.91 177.33 1e90 h LEU 742 N 0.44 0.00 0.27 1.22 3.38 -0.47 -3.13 115.31 117.02 1e90 h LEU 742 Ca 0.37 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 1e90 h LEU 742 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 1e90 h LEU 742 CO -0.36 0.34 -0.13 1.56 0.09 0.00 0.00 178.44 179.94 1e90 h GLN 743 N 0.00 -0.35 -0.44 1.13 1.08 0.11 -0.97 115.11 115.67 1e90 h GLN 743 Ca -0.00 0.02 0.09 0.00 -1.45 0.00 0.00 58.65 57.31 1e90 h GLN 743 Cb 0.90 0.08 -0.08 0.00 -0.05 0.00 0.00 27.48 28.33 1e90 h GLN 743 CO 0.04 -0.10 -0.07 -0.22 -0.95 0.00 0.00 178.83 177.53 1e90 h LYS 744 N -0.55 0.03 0.42 1.46 3.64 -1.44 -1.69 116.57 118.43 1e90 h LYS 744 Ca -0.04 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.33 1e90 h LYS 744 Cb 0.41 -0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.21 1e90 h LYS 744 CO 0.06 0.02 -0.36 0.28 -2.27 0.00 0.00 179.45 177.18 1e90 h VAL 745 N 0.03 0.00 -0.99 2.00 2.07 -1.48 0.38 116.25 118.26 1e90 h VAL 745 Ca 0.22 0.00 0.33 0.00 0.82 0.00 0.00 66.70 68.07 1e90 h VAL 745 Cb 0.33 0.00 -0.18 0.00 -1.52 0.00 0.00 31.29 29.92 1e90 h VAL 745 CO -0.43 0.00 0.25 0.74 0.02 0.00 0.00 177.57 178.16 1e90 h THR 746 N -0.76 0.02 0.18 2.57 2.02 -0.75 0.39 112.91 116.59 1e90 h THR 746 Ca -0.05 -0.01 -0.31 0.00 0.77 0.00 0.00 66.41 66.81 1e90 h THR 746 Cb 0.64 0.00 0.03 0.00 -1.74 0.00 0.00 68.15 67.09 1e90 h THR 746 CO -0.01 0.00 -1.34 0.40 0.37 0.00 0.00 175.52 174.94 1e90 h ILE 747 N 0.02 1.33 0.00 3.11 5.03 -1.01 -2.89 117.51 123.10 1e90 h ILE 747 Ca 0.71 -2.68 0.00 0.00 -0.12 0.00 0.00 64.86 62.77 1e90 h ILE 747 Cb 1.66 2.88 0.00 0.00 -3.03 0.00 0.00 36.82 38.33 1e90 h ILE 747 CO -0.85 0.80 0.00 0.44 -0.68 0.00 0.00 178.15 177.86 1e90 h ASP 748 N 0.18 0.00 0.16 1.72 3.45 0.38 -2.75 116.42 119.56 1e90 h ASP 748 Ca -0.20 0.00 -0.36 0.00 0.43 0.00 0.00 57.03 56.90 1e90 h ASP 748 Cb 2.03 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 40.78 1e90 h ASP 748 CO 0.25 0.00 -1.95 0.40 -1.57 0.00 0.00 179.24 176.37 1e90 h ILE 749 N 0.00 0.68 0.00 0.35 2.04 -0.82 -3.35 117.51 116.41 1e90 h ILE 749 Ca 0.00 -2.39 -0.02 0.00 1.00 0.00 0.00 64.86 63.46 1e90 h ILE 749 Cb 0.32 2.54 -0.00 0.00 -0.74 0.00 0.00 36.82 38.93 1e90 h ILE 749 CO 0.00 0.88 -0.08 0.50 0.00 0.00 0.00 178.15 179.44 1e90 h LYS 750 N 0.07 0.00 0.00 2.37 3.64 -1.27 -2.23 116.57 119.15 1e90 h LYS 750 Ca -0.41 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 58.97 1e90 h LYS 750 Cb 2.04 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.86 1e90 h LYS 750 CO 0.10 0.08 0.00 -1.13 -2.27 0.00 0.00 179.45 176.23 1e90 n SER 751 N -3.68 0.52 -4.37 4.20 3.41 -1.06 -4.09 113.62 108.56 1e90 n SER 751 Ca -0.02 0.71 -0.46 0.00 -0.26 0.00 0.00 58.87 58.84 1e90 n SER 751 Cb 0.19 -0.79 -0.02 0.00 -0.26 0.00 0.00 64.21 63.33 1e90 n SER 751 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1e90 s LEU 752 N -4.34 6.24 0.00 1.04 1.43 -0.84 -4.76 118.68 117.45 1e90 s LEU 752 Ca -0.00 -2.50 0.00 0.00 -1.03 0.00 0.00 54.13 50.60 1e90 s LEU 752 Cb 0.06 -2.27 0.00 0.00 0.03 0.00 0.00 46.19 44.02 1e90 s LEU 752 CO 0.22 -0.72 0.00 -0.24 0.23 0.00 0.00 176.35 175.84 1e90 n SER 753 N 4.76 -1.90 0.00 2.29 2.88 -1.26 -5.01 113.62 115.38 1e90 n SER 753 Ca 0.17 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.71 1e90 n SER 753 Cb 0.48 -0.95 0.00 0.00 -0.75 0.00 0.00 64.21 62.99 1e90 n SER 753 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1e90 n ALA 754 N 0.13 2.13 -0.24 -1.46 0.00 -1.26 -4.69 120.51 115.11 1e90 n ALA 754 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1e90 n ALA 754 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1e90 n ALA 754 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1e90 n GLU 755 N -0.17 -0.46 -3.43 0.00 2.13 -1.26 -4.97 120.64 112.49 1e90 n GLU 755 Ca 0.00 -0.36 -0.20 0.00 0.66 0.00 0.00 57.16 57.26 1e90 n GLU 755 Cb 0.02 -0.85 -0.11 0.00 0.27 0.00 0.00 31.44 30.78 1e90 n GLU 755 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1e90 s LYS 756 N -0.04 0.34 -0.13 5.31 -0.14 -1.26 -5.11 119.74 118.71 1e90 s LYS 756 Ca 0.00 -0.37 -0.36 0.00 -1.36 0.00 0.00 55.97 53.88 1e90 s LYS 756 Cb 0.00 -0.80 -0.14 0.00 -1.68 0.00 0.00 37.83 35.21 1e90 s LYS 756 CO 0.00 -1.06 1.79 2.48 -0.76 0.00 0.00 175.35 177.80 1e90 n TYR 757 N 5.11 2.19 0.00 3.18 0.18 -1.26 -4.85 117.16 121.71 1e90 n TYR 757 Ca -0.01 0.24 0.00 0.00 1.88 0.00 0.00 57.90 60.01 1e90 n TYR 757 Cb 0.45 -2.57 0.00 0.00 -0.38 0.00 0.00 39.34 36.84 1e90 n TYR 757 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1e90 n ASP 758 N 5.76 0.00 -4.57 9.48 -0.08 -1.26 -5.08 116.55 120.81 1e90 n ASP 758 Ca 0.23 0.00 -0.19 0.00 -1.51 0.00 0.00 54.79 53.33 1e90 n ASP 758 Cb 0.23 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.61 1e90 n ASP 758 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1e90 s VAL 759 N 0.00 3.19 0.64 5.18 1.01 -1.26 -4.90 120.40 124.27 1e90 s VAL 759 Ca 0.00 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 61.57 1e90 s VAL 759 Cb 0.00 -3.73 -0.11 0.00 0.00 0.00 0.00 36.38 32.54 1e90 s VAL 759 CO 0.00 -0.38 0.05 -1.20 0.00 0.00 0.00 175.10 173.57 1e90 n SER 760 N 17.30 -2.96 -0.05 3.32 7.64 -1.26 -4.83 113.62 132.79 1e90 n SER 760 Ca 0.44 0.58 -0.09 0.00 1.01 0.00 0.00 58.87 60.81 1e90 n SER 760 Cb 0.45 -0.98 0.08 0.00 -1.01 0.00 0.00 64.21 62.75 1e90 n SER 760 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 1e90 h SER 761 N -0.21 0.73 -0.02 6.43 4.64 -2.00 -2.87 113.55 120.25 1e90 h SER 761 Ca -0.43 -0.31 -0.10 0.00 -0.47 0.00 0.00 61.79 60.47 1e90 h SER 761 Cb 1.39 -0.20 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 1e90 h SER 761 CO 0.40 1.01 -0.30 0.06 -0.87 0.00 0.00 176.83 177.14 1e90 h GLN 762 N 0.58 0.47 -0.35 4.77 3.07 -1.98 -2.08 115.11 119.58 1e90 h GLN 762 Ca 0.06 -0.19 -0.03 0.00 0.09 0.00 0.00 58.65 58.58 1e90 h GLN 762 Cb 0.88 -0.02 -0.01 0.00 0.08 0.00 0.00 27.48 28.40 1e90 h GLN 762 CO 0.08 0.72 0.12 -0.24 0.09 0.00 0.00 178.83 179.60 1e90 h VAL 763 N 0.41 1.20 0.00 1.86 3.04 -1.85 0.24 116.25 121.15 1e90 h VAL 763 Ca 0.05 -0.65 -0.01 0.00 -1.01 0.00 0.00 66.70 65.08 1e90 h VAL 763 Cb 0.73 0.98 -0.00 0.00 -2.01 0.00 0.00 31.29 30.98 1e90 h VAL 763 CO 0.06 0.23 -0.07 0.40 -1.01 0.00 0.00 177.57 177.18 1e90 h ILE 764 N 0.41 0.29 0.06 3.17 1.08 -1.39 0.32 117.51 121.46 1e90 h ILE 764 Ca 0.11 -0.43 -0.23 0.00 -0.39 0.00 0.00 64.86 63.92 1e90 h ILE 764 Cb 0.23 1.32 0.02 0.00 -3.07 0.00 0.00 36.82 35.33 1e90 h ILE 764 CO -0.01 0.06 -0.94 -1.28 -0.69 0.00 0.00 178.15 175.30 1e90 h SER 765 N 0.00 0.72 0.53 1.72 0.87 -0.48 -3.05 113.55 113.86 1e90 h SER 765 Ca -0.00 -0.80 -0.17 0.00 -1.23 0.00 0.00 61.79 59.58 1e90 h SER 765 Cb 0.32 -0.23 -0.01 0.00 -0.44 0.00 0.00 62.40 62.04 1e90 h SER 765 CO 0.01 1.45 -0.75 -0.61 -0.53 0.00 0.00 176.83 176.39 1e90 h GLN 766 N 0.09 0.17 0.60 2.24 4.15 0.32 -2.99 115.11 119.69 1e90 h GLN 766 Ca -0.14 -0.16 -0.03 0.00 0.77 0.00 0.00 58.65 59.10 1e90 h GLN 766 Cb 1.64 0.04 0.01 0.00 0.21 0.00 0.00 27.48 29.38 1e90 h GLN 766 CO 0.18 0.85 -0.29 1.25 -1.93 0.00 0.00 178.83 178.89 1e90 h LEU 767 N 0.11 -0.68 -2.36 -2.39 7.12 -0.46 -0.47 115.31 116.18 1e90 h LEU 767 Ca -0.02 -0.00 0.03 0.00 0.13 0.00 0.00 57.88 58.02 1e90 h LEU 767 Cb 1.33 0.18 -0.00 0.00 -0.53 0.00 0.00 40.66 41.63 1e90 h LEU 767 CO 0.11 -0.44 0.14 0.11 -0.13 0.00 0.00 178.44 178.23 1e90 h LYS 768 N -0.87 0.00 -0.01 1.25 1.57 -1.60 -1.99 116.57 114.93 1e90 h LYS 768 Ca -0.08 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 1e90 h LYS 768 Cb 0.64 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.95 1e90 h LYS 768 CO 0.13 0.00 -0.11 0.37 -0.57 0.00 0.00 179.45 179.28 1e90 h GLN 769 N 0.00 0.09 -0.23 3.15 5.75 -1.21 -2.71 115.11 119.95 1e90 h GLN 769 Ca 0.05 -0.08 -0.01 0.00 -0.15 0.00 0.00 58.65 58.46 1e90 h GLN 769 Cb 0.33 0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.88 1e90 h GLN 769 CO -0.00 0.80 0.11 0.87 -2.65 0.00 0.00 178.83 177.95 1e90 h LYS 770 N -0.59 0.31 -0.22 1.69 1.57 -0.37 -1.36 116.57 117.60 1e90 h LYS 770 Ca -0.01 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.55 1e90 h LYS 770 Cb 0.83 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.07 1e90 h LYS 770 CO 0.02 0.25 -0.63 -0.07 -0.57 0.00 0.00 179.45 178.45 1e90 h LEU 771 N 0.32 0.89 -0.07 2.94 3.38 -1.53 -2.83 115.31 118.41 1e90 h LEU 771 Ca 0.08 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.57 1e90 h LEU 771 Cb 0.04 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 1e90 h LEU 771 CO -0.01 1.30 -0.15 -0.33 0.09 0.00 0.00 178.44 179.34 1e90 h GLU 772 N 0.58 -0.21 -0.69 1.13 4.39 -0.94 0.28 114.58 119.12 1e90 h GLU 772 Ca -0.01 0.01 0.14 0.00 0.34 0.00 0.00 59.36 59.84 1e90 h GLU 772 Cb 1.23 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.89 1e90 h GLU 772 CO 0.13 -0.14 0.47 -0.91 -1.16 0.00 0.00 179.01 177.40 1e90 h ASN 773 N -0.21 0.34 0.02 1.42 2.35 -1.30 -1.28 115.58 116.92 1e90 h ASN 773 Ca 0.07 0.02 -0.04 0.00 -0.55 0.00 0.00 56.30 55.80 1e90 h ASN 773 Cb 0.32 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.64 1e90 h ASN 773 CO -0.20 0.18 -0.17 -0.07 -1.65 0.00 0.00 177.43 175.52 1e90 h LEU 774 N 0.37 0.11 -1.46 1.61 3.38 -0.95 -3.28 115.31 115.09 1e90 h LEU 774 Ca 0.34 -0.93 0.00 0.00 0.09 0.00 0.00 57.88 57.37 1e90 h LEU 774 Cb 0.80 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1e90 h LEU 774 CO -0.09 1.03 0.00 -0.61 0.09 0.00 0.00 178.44 178.86 1e90 h GLN 775 N -0.79 0.00 -0.36 1.13 -0.00 -0.05 0.63 115.11 115.67 1e90 h GLN 775 Ca -0.03 0.00 0.03 0.00 -0.00 0.00 0.00 58.65 58.65 1e90 h GLN 775 Cb 1.08 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.52 1e90 h GLN 775 CO 0.03 0.00 -0.21 0.09 0.00 0.00 0.00 178.83 178.74 1e90 n ASN 776 N -2.41 -0.38 0.00 -0.69 3.02 -0.52 -4.54 115.26 109.73 1e90 n ASN 776 Ca -0.01 1.02 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1e90 n ASN 776 Cb 0.10 -0.27 0.00 0.00 -0.61 0.00 0.00 39.78 39.00 1e90 n ASN 776 CO 0.00 0.00 0.00 -0.11 -2.62 0.00 0.00 177.26 174.53 1e90 n LEU 777 N -3.81 0.00 -0.01 3.41 0.00 -1.24 -4.96 117.00 110.39 1e90 n LEU 777 Ca 0.01 -0.00 -0.06 0.00 0.00 0.00 0.00 56.01 55.95 1e90 n LEU 777 Cb 0.09 0.00 -0.13 0.00 0.00 0.00 0.00 43.42 43.39 1e90 n LEU 777 CO -0.06 0.07 -0.46 -3.20 0.00 0.00 0.00 177.39 173.74 1e90 n ASN 778 N 0.00 0.88 -4.77 1.96 5.15 -1.17 -4.89 115.26 112.42 1e90 n ASN 778 Ca 0.00 0.41 -0.39 0.00 -0.60 0.00 0.00 54.58 54.00 1e90 n ASN 778 Cb 0.07 -0.02 -0.06 0.00 -0.53 0.00 0.00 39.78 39.24 1e90 n ASN 778 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1e90 s LEU 779 N -6.02 4.60 0.08 1.20 2.96 0.21 -4.98 118.68 116.74 1e90 s LEU 779 Ca -0.04 1.76 -0.31 0.00 -0.22 0.00 0.00 54.13 55.31 1e90 s LEU 779 Cb 0.08 -3.43 -0.10 0.00 0.50 0.00 0.00 46.19 43.24 1e90 s LEU 779 CO 0.82 0.18 1.87 -2.65 -1.32 0.00 0.00 176.35 175.25 1e90 n PRO 780 N 1.51 2.73 -0.33 0.98 -0.02 -1.26 -4.83 135.00 133.79 1e90 n PRO 780 Ca -0.04 1.00 0.22 0.00 -2.02 0.00 0.00 63.50 62.66 1e90 n PRO 780 Cb 0.48 -2.90 0.45 0.00 -0.02 0.00 0.00 33.50 31.51 1e90 n PRO 780 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1e90 h GLN 781 N 9.06 0.29 -4.37 -0.52 4.20 -1.93 -3.43 115.11 118.41 1e90 h GLN 781 Ca -0.47 -0.02 -0.35 0.00 0.06 0.00 0.00 58.65 57.87 1e90 h GLN 781 Cb 1.23 -0.07 -0.09 0.00 0.30 0.00 0.00 27.48 28.86 1e90 h GLN 781 CO 0.94 0.19 -0.27 -1.54 -0.67 0.00 0.00 178.83 177.49 1e90 s SER 782 N -4.93 1.24 -0.24 1.46 1.04 -1.26 -3.45 113.70 107.56 1e90 s SER 782 Ca -0.10 -1.61 -0.36 0.00 0.48 0.00 0.00 55.95 54.37 1e90 s SER 782 Cb 0.30 0.65 0.15 0.00 0.10 0.00 0.00 66.02 67.22 1e90 s SER 782 CO 0.79 -1.25 1.29 0.72 0.98 0.00 0.00 173.24 175.76 1e90 s PHE 783 N -3.07 -0.08 0.09 5.02 -0.71 -0.71 -4.89 117.98 113.64 1e90 s PHE 783 Ca 0.34 0.06 -0.27 0.00 -1.04 0.00 0.00 56.93 56.02 1e90 s PHE 783 Cb 0.00 0.51 -0.06 0.00 -1.21 0.00 0.00 43.02 42.26 1e90 s PHE 783 CO 0.24 -0.11 0.84 1.03 -1.34 0.00 0.00 175.22 175.87 1e90 s ARG 784 N -2.05 4.59 -0.27 1.99 0.52 -1.26 -0.97 118.95 121.49 1e90 s ARG 784 Ca 0.10 1.22 -0.29 0.00 -0.52 0.00 0.00 55.73 56.24 1e90 s ARG 784 Cb -0.01 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.09 1e90 s ARG 784 CO -0.04 0.30 1.54 0.08 0.02 0.00 0.00 175.30 177.21 1e90 s VAL 785 N -0.22 3.80 0.37 3.52 1.01 -0.92 -4.85 120.40 123.12 1e90 s VAL 785 Ca 0.41 0.88 0.18 0.00 0.00 0.00 0.00 61.98 63.46 1e90 s VAL 785 Cb -0.22 -3.86 0.38 0.00 0.00 0.00 0.00 36.38 32.68 1e90 s VAL 785 CO 0.26 -0.40 1.69 -0.65 0.00 0.00 0.00 175.10 176.00 1e90 h PRO 786 N 10.60 0.31 -0.01 2.72 0.11 -1.94 0.53 132.00 144.32 1e90 h PRO 786 Ca -0.31 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.78 1e90 h PRO 786 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 1e90 h PRO 786 CO 1.02 0.20 -0.29 2.48 -0.21 0.00 0.00 178.00 181.21 1e90 n TYR 787 N -4.86 0.00 -2.92 0.65 0.18 -1.26 -4.47 117.16 104.48 1e90 n TYR 787 Ca 0.31 0.00 -0.14 0.00 1.88 0.00 0.00 57.90 59.95 1e90 n TYR 787 Cb 1.03 -0.07 0.00 0.00 -0.38 0.00 0.00 39.34 39.92 1e90 n TYR 787 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 1e90 n ASP 788 N -0.35 -1.75 0.31 9.48 2.03 0.06 -4.86 116.55 121.47 1e90 n ASP 788 Ca 0.12 -3.05 0.12 0.00 0.52 0.00 0.00 54.79 52.49 1e90 n ASP 788 Cb 0.39 0.89 0.58 0.00 -0.72 0.00 0.00 41.12 42.26 1e90 n ASP 788 CO 0.00 0.00 0.00 1.55 -1.92 0.00 0.00 177.20 176.83 1e90 h PRO 789 N 4.06 0.00 0.00 -0.67 0.13 -1.46 0.15 132.00 134.21 1e90 h PRO 789 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.07 1e90 h PRO 789 Cb 0.98 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1e90 h PRO 789 CO 0.37 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.55 1e90 n GLY 790 N -1.32 -1.48 3.83 1.56 0.00 -1.26 -4.72 105.19 101.80 1e90 n GLY 790 Ca -0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1e90 n GLY 790 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1e90 s LEU 791 N -4.12 4.36 -0.30 0.99 1.43 0.54 -1.31 118.68 120.27 1e90 s LEU 791 Ca 0.09 0.52 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 1e90 s LEU 791 Cb 0.12 -2.20 0.07 0.00 0.03 0.00 0.00 46.19 44.21 1e90 s LEU 791 CO 0.49 0.32 -0.02 -0.75 0.23 0.00 0.00 176.35 176.63 1e90 s LYS 792 N -0.64 2.19 0.31 1.70 2.36 -1.26 -2.16 119.74 122.23 1e90 s LYS 792 Ca 0.16 -1.43 -0.28 0.00 -2.55 0.00 0.00 55.97 51.87 1e90 s LYS 792 Cb -0.13 -3.11 -0.09 0.00 -1.05 0.00 0.00 37.83 33.45 1e90 s LYS 792 CO 0.05 -0.68 1.03 0.00 1.55 0.00 0.00 175.35 177.29 1e90 s ALA 793 N 1.13 3.29 0.00 3.13 0.00 -0.15 0.57 121.76 129.74 1e90 s ALA 793 Ca -0.03 0.73 0.00 0.00 0.00 0.00 0.00 51.96 52.66 1e90 s ALA 793 Cb -0.20 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1e90 s ALA 793 CO -0.04 -0.04 0.00 0.41 0.00 0.00 0.00 175.76 176.09 1e90 n GLY 794 N 0.96 1.08 3.85 0.00 0.00 0.32 -1.74 105.19 109.66 1e90 n GLY 794 Ca 0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 1e90 n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e90 s ALA 795 N -2.59 2.62 0.15 4.61 0.00 -1.22 -4.48 121.76 120.85 1e90 s ALA 795 Ca 0.00 -0.29 -0.22 0.00 0.00 0.00 0.00 51.96 51.45 1e90 s ALA 795 Cb 0.00 -3.06 -0.08 0.00 0.00 0.00 0.00 23.12 19.99 1e90 s ALA 795 CO 0.00 -1.40 0.70 -0.51 0.00 0.00 0.00 175.76 174.55 1e90 s LEU 796 N -5.54 4.50 -0.99 0.00 1.43 -1.26 -1.57 118.68 115.25 1e90 s LEU 796 Ca 0.59 1.47 -0.01 0.00 -1.03 0.00 0.00 54.13 55.15 1e90 s LEU 796 Cb -0.12 -3.26 0.32 0.00 0.03 0.00 0.00 46.19 43.15 1e90 s LEU 796 CO 0.53 0.18 1.70 0.52 0.23 0.00 0.00 176.35 179.51 1e90 n VAL 797 N 1.37 5.73 -0.24 -1.59 0.31 -0.60 -4.87 118.33 118.45 1e90 n VAL 797 Ca -0.06 -5.94 0.22 0.00 -0.01 0.00 0.00 64.34 58.54 1e90 n VAL 797 Cb 0.50 -1.60 0.38 0.00 -0.91 0.00 0.00 33.84 32.20 1e90 n VAL 797 CO 0.00 0.00 0.00 -0.38 -1.32 0.00 0.00 176.83 175.13 1e90 n ILE 798 N 0.09 -0.20 -0.11 2.52 5.41 -1.26 -0.16 119.36 125.65 1e90 n ILE 798 Ca 0.43 1.14 -0.05 0.00 1.00 0.00 0.00 62.75 65.27 1e90 n ILE 798 Cb 0.28 -1.86 0.02 0.00 -0.71 0.00 0.00 39.64 37.36 1e90 n ILE 798 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 1e90 h GLU 799 N 0.00 0.09 0.00 0.38 3.07 -1.97 -2.30 114.58 113.85 1e90 h GLU 799 Ca 0.52 -0.01 0.00 0.00 -0.50 0.00 0.00 59.36 59.37 1e90 h GLU 799 Cb 1.51 -0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.40 1e90 h GLU 799 CO -0.37 0.06 0.00 0.87 -1.40 0.00 0.00 179.01 178.17 1e90 h LYS 800 N 0.10 0.00 -7.16 2.33 1.57 -0.95 -3.46 116.57 109.00 1e90 h LYS 800 Ca 0.18 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.43 1e90 h LYS 800 Cb 0.25 0.00 0.14 0.00 0.08 0.00 0.00 32.23 32.70 1e90 h LYS 800 CO -0.30 0.00 0.41 0.00 -0.57 0.00 0.00 179.45 178.99 1e90 s LYS 802 N -3.80 0.59 -0.23 0.00 -2.85 -0.96 -4.96 119.74 107.53 1e90 s LYS 802 Ca 0.74 -0.35 -0.08 0.00 -1.00 0.00 0.00 55.97 55.28 1e90 s LYS 802 Cb -0.29 0.18 -0.04 0.00 -2.06 0.00 0.00 37.83 35.63 1e90 s LYS 802 CO 0.42 -0.27 0.08 0.08 0.10 0.00 0.00 175.35 175.76 1e90 s VAL 803 N -2.35 4.60 0.39 1.79 1.01 -1.26 -1.41 120.40 123.15 1e90 s VAL 803 Ca 0.19 -0.08 -0.27 0.00 0.00 0.00 0.00 61.98 61.82 1e90 s VAL 803 Cb 0.02 -3.13 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1e90 s VAL 803 CO -0.01 0.37 1.34 -0.04 0.00 0.00 0.00 175.10 176.75 1e90 s MET 804 N 1.21 4.06 0.00 2.72 1.00 -0.75 -4.84 119.30 122.71 1e90 s MET 804 Ca 0.05 2.25 -0.03 0.00 0.00 0.00 0.00 55.69 57.96 1e90 s MET 804 Cb -0.14 -2.86 -0.13 0.00 0.00 0.00 0.00 34.83 31.70 1e90 s MET 804 CO 0.04 -0.45 2.14 0.00 0.00 0.00 0.00 175.02 176.75 1e90 n ALA 805 N 0.32 4.01 -2.75 3.03 0.00 -1.26 -4.43 120.51 119.43 1e90 n ALA 805 Ca 0.02 -0.85 -0.22 0.00 0.00 0.00 0.00 53.44 52.39 1e90 n ALA 805 Cb 0.42 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 17.75 1e90 n ALA 805 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1e90 s SER 806 N 2.29 5.14 0.08 0.00 0.15 -1.26 -5.01 113.70 115.08 1e90 s SER 806 Ca 0.31 -0.40 -0.35 0.00 0.70 0.00 0.00 55.95 56.21 1e90 s SER 806 Cb 0.15 -1.18 -0.17 0.00 -1.71 0.00 0.00 66.02 63.10 1e90 s SER 806 CO 0.00 -0.02 1.58 0.11 1.20 0.00 0.00 173.24 176.11 1e90 h LYS 807 N 1.66 -0.98 0.00 5.44 6.56 -1.99 -1.67 116.57 125.60 1e90 h LYS 807 Ca -0.47 0.07 0.00 0.00 -1.06 0.00 0.00 60.65 59.19 1e90 h LYS 807 Cb 1.24 0.22 0.00 0.00 -0.57 0.00 0.00 32.23 33.13 1e90 h LYS 807 CO 0.61 -0.65 0.00 1.63 -2.06 0.00 0.00 179.45 178.97 1e90 n LYS 808 N -5.56 0.69 -3.19 3.15 5.02 -1.26 -4.90 118.16 112.11 1e90 n LYS 808 Ca -0.13 0.00 -0.25 0.00 -2.02 0.00 0.00 58.31 55.91 1e90 n LYS 808 Cb 0.45 -1.17 0.02 0.00 -0.02 0.00 0.00 35.03 34.31 1e90 n LYS 808 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1e90 n LYS 809 N -0.67 -1.34 -1.83 1.97 5.02 -0.63 -4.59 118.16 116.09 1e90 n LYS 809 Ca 0.06 0.84 -0.29 0.00 -2.02 0.00 0.00 58.31 56.89 1e90 n LYS 809 Cb 0.03 -1.60 0.11 0.00 -0.02 0.00 0.00 35.03 33.55 1e90 n LYS 809 CO 0.00 0.00 0.00 -2.14 -0.52 0.00 0.00 177.40 174.74 1e90 s PRO 810 N -3.00 1.64 -0.18 1.97 0.02 -1.26 -4.63 135.00 129.55 1e90 s PRO 810 Ca 0.16 0.08 -0.07 0.00 0.02 0.00 0.00 61.00 61.19 1e90 s PRO 810 Cb -0.02 -1.92 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1e90 s PRO 810 CO 0.68 -1.82 0.05 -0.51 -0.33 0.00 0.00 177.00 175.07 1e90 s LEU 811 N -5.71 3.74 -0.71 -5.54 1.43 0.39 -1.80 118.68 110.48 1e90 s LEU 811 Ca 0.64 0.05 -0.10 0.00 -1.03 0.00 0.00 54.13 53.69 1e90 s LEU 811 Cb -0.11 -1.94 0.19 0.00 0.03 0.00 0.00 46.19 44.36 1e90 s LEU 811 CO 0.50 0.17 0.61 0.86 0.23 0.00 0.00 176.35 178.73 1e90 s TRP 812 N 0.37 3.59 0.05 0.29 -0.11 -0.50 -2.00 118.94 120.63 1e90 s TRP 812 Ca 0.02 -2.14 0.01 0.00 1.22 0.00 0.00 56.10 55.21 1e90 s TRP 812 Cb -0.13 -3.61 -0.04 0.00 -1.50 0.00 0.00 33.47 28.20 1e90 s TRP 812 CO 0.00 -0.95 0.14 -0.51 -4.62 0.00 0.00 176.95 171.02 1e90 s LEU 813 N 0.31 4.10 -0.02 5.86 1.43 -0.41 -2.26 118.68 127.69 1e90 s LEU 813 Ca 0.15 0.16 0.02 0.00 -1.03 0.00 0.00 54.13 53.43 1e90 s LEU 813 Cb -0.16 -2.65 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1e90 s LEU 813 CO -0.06 0.20 -0.07 -1.61 0.23 0.00 0.00 176.35 175.04 1e90 s GLU 814 N -2.29 0.75 0.24 1.70 2.02 -1.26 -0.51 118.70 119.35 1e90 s GLU 814 Ca 0.30 -0.23 0.10 0.00 0.02 0.00 0.00 54.97 55.17 1e90 s GLU 814 Cb -0.13 -0.72 -0.05 0.00 0.10 0.00 0.00 34.13 33.33 1e90 s GLU 814 CO 0.23 0.08 -0.17 -0.06 0.02 0.00 0.00 175.26 175.35 1e90 s PHE 815 N 0.22 2.01 0.28 1.61 0.40 -0.45 -1.56 117.98 120.49 1e90 s PHE 815 Ca -0.03 -0.45 -0.09 0.00 -0.60 0.00 0.00 56.93 55.76 1e90 s PHE 815 Cb -0.08 -0.90 -0.07 0.00 0.51 0.00 0.00 43.02 42.49 1e90 s PHE 815 CO 0.00 0.54 0.61 0.15 0.70 0.00 0.00 175.22 177.22 1e90 s LYS 816 N -3.57 3.79 -0.17 0.44 1.02 -0.61 -0.46 119.74 120.18 1e90 s LYS 816 Ca 0.26 0.30 -0.29 0.00 0.02 0.00 0.00 55.97 56.26 1e90 s LYS 816 Cb -0.03 -2.58 -0.01 0.00 -0.52 0.00 0.00 37.83 34.69 1e90 s LYS 816 CO 0.11 0.22 1.24 0.00 -0.92 0.00 0.00 175.35 176.00 1e90 n ALA 818 N 6.60 1.32 -2.56 0.00 0.00 0.19 -4.55 120.51 121.53 1e90 n ALA 818 Ca 0.14 -0.02 -0.41 0.00 0.00 0.00 0.00 53.44 53.15 1e90 n ALA 818 Cb 0.45 -1.08 -0.09 0.00 0.00 0.00 0.00 19.45 18.73 1e90 n ALA 818 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1e90 s ASP 819 N -2.80 6.22 0.48 0.00 -1.08 -1.26 -4.96 116.67 113.28 1e90 s ASP 819 Ca 0.04 -0.12 0.26 0.00 -0.52 0.00 0.00 52.55 52.21 1e90 s ASP 819 Cb 0.03 -2.21 1.14 0.00 -1.46 0.00 0.00 42.92 40.42 1e90 s ASP 819 CO 0.08 -0.35 1.92 1.55 0.52 0.00 0.00 175.17 178.90 1e90 h PRO 820 N 8.42 0.00 0.00 4.34 0.13 -1.98 -2.78 132.00 140.13 1e90 h PRO 820 Ca -0.30 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.83 1e90 h PRO 820 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1e90 h PRO 820 CO 0.70 0.17 0.00 2.41 -0.23 0.00 0.00 178.00 181.05 1e90 n THR 821 N -3.41 0.12 -1.89 1.56 -1.04 -1.26 -4.83 114.28 103.53 1e90 n THR 821 Ca -0.00 0.03 -0.40 0.00 -2.04 0.00 0.00 64.05 61.64 1e90 n THR 821 Cb 0.36 -0.62 0.00 0.00 -1.82 0.00 0.00 70.33 68.25 1e90 n THR 821 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1e90 s ALA 822 N -2.33 3.32 -0.96 2.41 0.00 -1.05 -3.49 121.76 119.67 1e90 s ALA 822 Ca 0.30 1.41 -0.02 0.00 0.00 0.00 0.00 51.96 53.64 1e90 s ALA 822 Cb 0.17 -3.56 0.28 0.00 0.00 0.00 0.00 23.12 20.01 1e90 s ALA 822 CO 0.34 -1.03 2.04 1.28 0.00 0.00 0.00 175.76 178.40 1e90 n LEU 823 N 0.08 7.43 0.00 0.00 4.32 -1.26 -4.88 117.00 122.70 1e90 n LEU 823 Ca 0.04 -5.04 0.00 0.00 -0.02 0.00 0.00 56.01 50.98 1e90 n LEU 823 Cb 0.42 -1.17 0.00 0.00 -1.62 0.00 0.00 43.42 41.05 1e90 n LEU 823 CO 0.59 1.94 0.00 -0.24 -1.22 0.00 0.00 177.39 178.45 1e90 n SER 824 N 0.10 0.00 0.00 -1.43 2.88 -1.26 -5.03 113.62 108.88 1e90 n SER 824 Ca 0.51 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.05 1e90 n SER 824 Cb 0.27 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.73 1e90 n SER 824 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1e90 n ASN 825 N 0.00 0.59 -4.67 -3.46 3.02 -1.26 -5.03 115.26 104.45 1e90 n ASN 825 Ca 0.00 -0.90 -0.40 0.00 -0.03 0.00 0.00 54.58 53.25 1e90 n ASN 825 Cb 0.00 0.11 0.02 0.00 -0.61 0.00 0.00 39.78 39.30 1e90 n ASN 825 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1e90 n GLU 826 N -0.11 1.59 -1.31 3.52 1.02 -1.26 -4.95 120.64 119.14 1e90 n GLU 826 Ca 0.00 0.57 -0.15 0.00 -0.02 0.00 0.00 57.16 57.57 1e90 n GLU 826 Cb 0.06 -2.28 0.09 0.00 -0.02 0.00 0.00 31.44 29.30 1e90 n GLU 826 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1e90 n THR 827 N -0.61 0.00 -3.97 2.62 -2.24 -1.26 -4.63 114.28 104.19 1e90 n THR 827 Ca 0.09 -0.67 -0.33 0.00 -2.27 0.00 0.00 64.05 60.86 1e90 n THR 827 Cb 0.41 -1.48 -0.14 0.00 -2.10 0.00 0.00 70.33 67.02 1e90 n THR 827 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1e90 s ILE 828 N -2.21 2.61 -0.29 2.28 -1.09 0.40 -4.91 121.20 117.98 1e90 s ILE 828 Ca 0.40 -1.66 -0.22 0.00 -2.23 0.00 0.00 60.65 56.94 1e90 s ILE 828 Cb -0.01 -2.59 -0.01 0.00 -1.58 0.00 0.00 42.46 38.27 1e90 s ILE 828 CO 0.27 -0.18 0.72 -0.83 -1.23 0.00 0.00 174.94 173.69 1e90 s GLY 829 N 1.20 1.75 -0.05 6.18 0.00 -1.26 -1.35 107.32 113.79 1e90 s GLY 829 Ca -0.04 -0.48 0.05 0.00 0.00 0.00 0.00 44.72 44.26 1e90 s GLY 829 CO -0.04 1.62 -0.21 -0.42 0.00 0.00 0.00 173.10 174.05 1e90 s ILE 830 N 2.77 1.73 -0.21 0.90 1.01 0.33 -0.88 121.20 126.85 1e90 s ILE 830 Ca 0.29 -0.89 -0.03 0.00 0.00 0.00 0.00 60.65 60.02 1e90 s ILE 830 Cb -0.15 -1.47 -0.01 0.00 0.01 0.00 0.00 42.46 40.84 1e90 s ILE 830 CO 0.11 0.49 -0.06 -0.63 0.00 0.00 0.00 174.94 174.85 1e90 s ILE 831 N -0.06 3.34 -0.23 2.92 1.01 -0.03 -1.29 121.20 126.86 1e90 s ILE 831 Ca -0.04 -0.51 -0.09 0.00 0.00 0.00 0.00 60.65 60.01 1e90 s ILE 831 Cb -0.13 -2.50 -0.04 0.00 0.01 0.00 0.00 42.46 39.80 1e90 s ILE 831 CO 0.03 0.44 0.11 -0.36 0.00 0.00 0.00 174.94 175.16 1e90 s PHE 832 N 1.28 3.23 0.04 3.97 0.40 -0.85 0.16 117.98 126.21 1e90 s PHE 832 Ca 0.03 0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.41 1e90 s PHE 832 Cb -0.14 -2.21 -0.02 0.00 0.51 0.00 0.00 43.02 41.15 1e90 s PHE 832 CO -0.02 -0.03 -0.11 0.21 0.70 0.00 0.00 175.22 175.97 1e90 s LYS 833 N 1.05 0.73 -0.07 0.44 2.20 -0.83 -0.46 119.74 122.79 1e90 s LYS 833 Ca 0.06 -0.72 0.03 0.00 -0.36 0.00 0.00 55.97 54.97 1e90 s LYS 833 Cb -0.14 -0.66 0.01 0.00 -1.51 0.00 0.00 37.83 35.53 1e90 s LYS 833 CO 0.04 0.15 -0.16 -1.58 -0.36 0.00 0.00 175.35 173.44 1e90 s HIS 834 N -1.00 1.74 0.00 4.03 5.65 -1.26 -2.90 115.29 121.55 1e90 s HIS 834 Ca -0.03 -0.63 0.00 0.00 0.25 0.00 0.00 55.06 54.66 1e90 s HIS 834 Cb -0.08 -1.22 0.00 0.00 -1.18 0.00 0.00 32.58 30.10 1e90 s HIS 834 CO 0.01 -0.28 0.00 0.41 -0.65 0.00 0.00 174.74 174.23 1e90 n GLY 835 N 3.60 3.96 3.89 1.59 0.00 -1.02 -4.84 105.19 112.36 1e90 n GLY 835 Ca -0.21 -0.86 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1e90 n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1e90 s ASP 836 N 0.00 6.53 -0.88 1.61 1.01 -1.26 -5.02 116.67 118.66 1e90 s ASP 836 Ca 0.00 0.66 -0.23 0.00 0.71 0.00 0.00 52.55 53.69 1e90 s ASP 836 Cb 0.00 -2.12 0.07 0.00 1.01 0.00 0.00 42.92 41.87 1e90 s ASP 836 CO 0.00 0.06 1.27 -0.62 0.21 0.00 0.00 175.17 176.09 1e90 s ASP 837 N -2.29 6.40 0.00 0.27 -1.08 -1.26 -4.55 116.67 114.16 1e90 s ASP 837 Ca 0.40 -1.28 0.12 0.00 -0.52 0.00 0.00 52.55 51.27 1e90 s ASP 837 Cb -0.12 -2.51 0.53 0.00 -1.46 0.00 0.00 42.92 39.36 1e90 s ASP 837 CO 0.23 -1.48 1.37 0.18 0.52 0.00 0.00 175.17 175.99 1e90 n LEU 838 N 8.32 0.00 0.18 -1.34 4.77 -1.26 -2.09 117.00 125.59 1e90 n LEU 838 Ca 0.19 0.47 0.03 0.00 -0.03 0.00 0.00 56.01 56.66 1e90 n LEU 838 Cb 0.49 -0.47 0.39 0.00 -2.33 0.00 0.00 43.42 41.50 1e90 n LEU 838 CO 0.64 -0.28 0.78 0.03 -1.33 0.00 0.00 177.39 177.23 1e90 h ARG 839 N 0.00 0.04 -0.04 3.23 3.08 -1.95 0.11 114.38 118.86 1e90 h ARG 839 Ca 0.00 -0.01 -0.05 0.00 0.07 0.00 0.00 59.98 59.99 1e90 h ARG 839 Cb 0.19 -0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1e90 h ARG 839 CO 0.00 0.34 -0.17 1.96 -1.07 0.00 0.00 179.97 181.02 1e90 h GLN 840 N 0.04 0.18 -0.30 0.04 4.20 -1.70 -2.10 115.11 115.47 1e90 h GLN 840 Ca 0.00 -0.15 0.02 0.00 0.06 0.00 0.00 58.65 58.59 1e90 h GLN 840 Cb 0.55 0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 1e90 h GLN 840 CO 0.04 0.80 0.15 -0.44 -0.67 0.00 0.00 178.83 178.71 1e90 h ASP 841 N -0.40 0.22 -0.68 1.46 5.19 -1.60 -0.43 116.42 120.18 1e90 h ASP 841 Ca -0.01 0.01 0.11 0.00 -0.62 0.00 0.00 57.03 56.52 1e90 h ASP 841 Cb 0.84 -0.03 -0.08 0.00 0.18 0.00 0.00 39.33 40.24 1e90 h ASP 841 CO 0.04 0.16 0.28 -0.03 -3.12 0.00 0.00 179.24 176.57 1e90 h MET 842 N 0.31 0.45 -0.22 3.56 4.05 -0.79 0.33 114.93 122.61 1e90 h MET 842 Ca 0.12 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.46 1e90 h MET 842 Cb 0.04 -0.10 -0.01 0.00 -0.80 0.00 0.00 31.60 30.73 1e90 h MET 842 CO -0.09 0.30 -0.07 1.25 0.23 0.00 0.00 176.91 178.53 1e90 h LEU 843 N 0.46 0.45 -0.22 3.39 5.85 -0.86 -2.59 115.31 121.78 1e90 h LEU 843 Ca 0.35 -0.38 -0.00 0.00 0.84 0.00 0.00 57.88 58.69 1e90 h LEU 843 Cb 0.46 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.36 1e90 h LEU 843 CO -0.33 0.72 0.12 0.40 -0.34 0.00 0.00 178.44 179.02 1e90 h ILE 844 N 0.16 1.11 -0.78 4.05 5.03 -0.47 -2.20 117.51 124.40 1e90 h ILE 844 Ca 0.05 -0.29 0.11 0.00 -0.12 0.00 0.00 64.86 64.61 1e90 h ILE 844 Cb 0.54 0.90 -0.05 0.00 -3.03 0.00 0.00 36.82 35.17 1e90 h ILE 844 CO 0.03 0.11 0.51 -0.07 -0.68 0.00 0.00 178.15 178.04 1e90 h LEU 845 N 0.25 0.61 -0.37 1.44 -0.00 -0.38 -1.77 115.31 115.09 1e90 h LEU 845 Ca 0.08 0.02 -0.11 0.00 -0.00 0.00 0.00 57.88 57.87 1e90 h LEU 845 Cb 0.06 -0.11 -0.01 0.00 -0.00 0.00 0.00 40.66 40.60 1e90 h LEU 845 CO -0.01 0.35 -0.18 -0.61 -0.00 0.00 0.00 178.44 177.99 1e90 h GLN 846 N 0.67 0.78 -1.00 1.13 5.75 -1.00 -2.16 115.11 119.29 1e90 h GLN 846 Ca 0.37 -0.34 0.01 0.00 -0.15 0.00 0.00 58.65 58.54 1e90 h GLN 846 Cb 0.52 -0.02 -0.05 0.00 1.07 0.00 0.00 27.48 29.00 1e90 h GLN 846 CO -0.14 0.96 0.66 0.82 -2.65 0.00 0.00 178.83 178.48 1e90 h ILE 847 N 0.58 1.25 -0.97 2.39 5.03 -0.90 -0.64 117.51 124.25 1e90 h ILE 847 Ca 0.08 -0.46 0.03 0.00 -0.12 0.00 0.00 64.86 64.39 1e90 h ILE 847 Cb 0.73 -0.22 -0.05 0.00 -3.03 0.00 0.00 36.82 34.24 1e90 h ILE 847 CO 0.05 0.25 0.64 -0.07 -0.68 0.00 0.00 178.15 178.34 1e90 h LEU 848 N 1.35 1.07 -0.99 1.44 4.07 -1.04 0.18 115.31 121.38 1e90 h LEU 848 Ca 0.37 -0.02 -0.10 0.00 0.08 0.00 0.00 57.88 58.21 1e90 h LEU 848 Cb -0.14 -0.25 -0.01 0.00 1.08 0.00 0.00 40.66 41.33 1e90 h LEU 848 CO -0.08 0.75 -0.44 0.03 -1.08 0.00 0.00 178.44 177.61 1e90 h ARG 849 N 1.25 0.12 0.00 1.13 3.08 -0.63 -1.84 114.38 117.49 1e90 h ARG 849 Ca 0.38 -0.06 -0.10 0.00 0.07 0.00 0.00 59.98 60.26 1e90 h ARG 849 Cb -0.04 -0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.00 1e90 h ARG 849 CO -0.11 0.55 -0.49 0.82 -1.07 0.00 0.00 179.97 179.67 1e90 h ILE 850 N 0.10 1.35 0.00 2.04 2.04 0.50 -2.78 117.51 120.77 1e90 h ILE 850 Ca 0.01 -1.70 -0.19 0.00 1.00 0.00 0.00 64.86 63.98 1e90 h ILE 850 Cb 0.83 1.92 -0.02 0.00 -0.74 0.00 0.00 36.82 38.80 1e90 h ILE 850 CO 0.06 0.48 -0.91 0.24 0.00 0.00 0.00 178.15 178.03 1e90 h MET 851 N 0.00 0.02 -0.16 2.37 2.86 -0.14 -2.07 114.93 117.82 1e90 h MET 851 Ca -0.00 -0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1e90 h MET 851 Cb 0.88 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.54 1e90 h MET 851 CO 0.06 0.91 -0.01 0.93 1.06 0.00 0.00 176.91 179.87 1e90 h GLU 852 N 0.01 0.28 -0.63 1.72 5.08 -1.15 -1.59 114.58 118.31 1e90 h GLU 852 Ca -0.02 -0.10 -0.05 0.00 -1.00 0.00 0.00 59.36 58.20 1e90 h GLU 852 Cb 1.59 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 30.79 1e90 h GLU 852 CO 0.12 0.52 0.20 0.66 -1.00 0.00 0.00 179.01 179.51 1e90 h SER 853 N 0.02 0.92 -0.99 1.42 4.64 -1.55 -1.55 113.55 116.46 1e90 h SER 853 Ca 0.04 -0.21 0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1e90 h SER 853 Cb 0.40 -0.24 -0.07 0.00 -0.31 0.00 0.00 62.40 62.17 1e90 h SER 853 CO 0.01 0.88 0.63 0.40 -0.87 0.00 0.00 176.83 177.89 1e90 h ILE 854 N 0.91 1.00 0.00 0.95 2.04 -1.23 0.27 117.51 121.46 1e90 h ILE 854 Ca 0.20 -0.37 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 1e90 h ILE 854 Cb 0.29 -0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.21 1e90 h ILE 854 CO -0.01 0.19 -0.13 -0.50 0.00 0.00 0.00 178.15 177.70 1e90 h TRP 855 N 1.07 0.00 -0.50 1.37 6.55 -0.77 -3.06 115.95 120.62 1e90 h TRP 855 Ca 0.46 0.00 -0.03 0.00 0.95 0.00 0.00 58.89 60.27 1e90 h TRP 855 Cb 0.33 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.61 1e90 h TRP 855 CO -0.00 0.13 0.21 1.49 -1.05 0.00 0.00 178.44 179.22 1e90 h GLU 856 N 0.00 0.74 -0.23 0.49 4.81 0.52 0.42 114.58 121.32 1e90 h GLU 856 Ca -0.00 -0.13 0.07 0.00 -0.13 0.00 0.00 59.36 59.17 1e90 h GLU 856 Cb 0.84 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 30.09 1e90 h GLU 856 CO 0.02 0.65 0.25 1.79 -0.73 0.00 0.00 179.01 180.98 1e90 h THR 857 N 0.66 0.48 -0.40 0.32 1.35 -1.30 0.37 112.91 114.39 1e90 h THR 857 Ca 0.17 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.03 1e90 h THR 857 Cb 0.18 0.80 0.00 0.00 -1.73 0.00 0.00 68.15 67.41 1e90 h THR 857 CO -0.02 0.00 0.00 -0.62 -0.25 0.00 0.00 175.52 174.63 1e90 n GLU 858 N -3.84 2.45 -3.02 4.72 -0.58 -0.61 -4.98 120.64 114.77 1e90 n GLU 858 Ca 0.03 -2.14 -0.12 0.00 -0.42 0.00 0.00 57.16 54.51 1e90 n GLU 858 Cb 0.38 -1.39 0.06 0.00 -0.57 0.00 0.00 31.44 29.92 1e90 n GLU 858 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1e90 n SER 859 N 1.03 -2.40 -4.25 1.62 7.64 0.13 -5.00 113.62 112.39 1e90 n SER 859 Ca 0.16 -0.42 -0.26 0.00 1.01 0.00 0.00 58.87 59.36 1e90 n SER 859 Cb 0.50 -3.69 -0.14 0.00 -1.01 0.00 0.00 64.21 59.87 1e90 n SER 859 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1e90 s LEU 860 N -5.05 2.17 -0.21 -3.43 1.43 0.13 -4.58 118.68 109.14 1e90 s LEU 860 Ca 0.05 -0.53 -0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1e90 s LEU 860 Cb -0.02 -0.98 0.06 0.00 0.03 0.00 0.00 46.19 45.27 1e90 s LEU 860 CO 0.50 0.16 -0.01 -0.62 0.23 0.00 0.00 176.35 176.61 1e90 s ASP 861 N -1.18 3.35 0.00 2.29 -1.08 -1.26 -3.91 116.67 114.87 1e90 s ASP 861 Ca 0.08 -0.98 0.22 0.00 -0.52 0.00 0.00 52.55 51.35 1e90 s ASP 861 Cb -0.09 -0.90 0.59 0.00 -1.46 0.00 0.00 42.92 41.06 1e90 s ASP 861 CO 0.02 -0.26 1.50 0.18 0.52 0.00 0.00 175.17 177.12 1e90 n LEU 862 N 4.86 3.65 -2.93 -1.34 7.99 -1.26 -4.94 117.00 123.03 1e90 n LEU 862 Ca -0.11 -1.78 -0.18 0.00 -0.01 0.00 0.00 56.01 53.93 1e90 n LEU 862 Cb 0.46 -0.42 -0.00 0.00 -0.11 0.00 0.00 43.42 43.35 1e90 n LEU 862 CO 0.16 0.89 -0.08 0.00 -1.51 0.00 0.00 177.39 176.84 1e90 s LEU 864 N -6.12 1.41 -0.42 0.00 1.43 -1.26 -4.61 118.68 109.11 1e90 s LEU 864 Ca 0.22 1.43 0.06 0.00 -1.03 0.00 0.00 54.13 54.81 1e90 s LEU 864 Cb -0.11 -3.53 0.22 0.00 0.03 0.00 0.00 46.19 42.79 1e90 s LEU 864 CO 0.27 -3.55 0.47 -0.11 0.23 0.00 0.00 176.35 173.66 1e90 n LEU 865 N -4.47 0.26 -3.50 1.79 7.94 -1.26 -5.03 117.00 112.73 1e90 n LEU 865 Ca 0.05 -4.64 -0.37 0.00 -1.11 0.00 0.00 56.01 49.94 1e90 n LEU 865 Cb 0.55 0.48 -0.03 0.00 0.53 0.00 0.00 43.42 44.95 1e90 n LEU 865 CO 0.57 1.98 2.45 -2.65 -1.11 0.00 0.00 177.39 178.63 1e90 n PRO 866 N 1.90 2.19 -1.27 1.96 -0.02 -1.26 -4.95 135.00 133.55 1e90 n PRO 866 Ca 0.25 -1.95 -0.38 0.00 -2.02 0.00 0.00 63.50 59.40 1e90 n PRO 866 Cb 0.50 -2.87 0.03 0.00 -0.02 0.00 0.00 33.50 31.14 1e90 n PRO 866 CO 0.00 0.00 0.00 2.48 1.98 0.00 0.00 175.50 179.96 1e90 n TYR 867 N 5.91 -2.24 -2.20 6.00 0.18 -1.26 -4.88 117.16 118.67 1e90 n TYR 867 Ca 0.52 0.37 -0.37 0.00 1.88 0.00 0.00 57.90 60.30 1e90 n TYR 867 Cb 0.31 -1.76 -0.00 0.00 -0.38 0.00 0.00 39.34 37.50 1e90 n TYR 867 CO 0.00 0.00 0.00 0.20 -2.08 0.00 0.00 176.86 174.98 1e90 s GLY 868 N -1.14 2.80 -0.25 -7.48 0.00 -1.26 -4.87 107.32 95.13 1e90 s GLY 868 Ca 0.59 0.99 -0.10 0.00 0.00 0.00 0.00 44.72 46.20 1e90 s GLY 868 CO 0.64 1.46 0.56 0.00 0.00 0.00 0.00 173.10 175.76 1e90 s ILE 870 N 2.26 0.88 -0.72 0.00 -1.09 -1.15 -4.67 121.20 116.72 1e90 s ILE 870 Ca -0.06 -0.27 -0.26 0.00 -2.23 0.00 0.00 60.65 57.82 1e90 s ILE 870 Cb -0.10 -0.88 0.00 0.00 -1.58 0.00 0.00 42.46 39.91 1e90 s ILE 870 CO -0.17 0.32 1.61 -0.55 -1.23 0.00 0.00 174.94 174.93 1e90 s SER 871 N 1.22 5.69 0.33 3.58 0.15 -1.26 -1.98 113.70 121.43 1e90 s SER 871 Ca -0.05 -0.18 0.09 0.00 0.70 0.00 0.00 55.95 56.51 1e90 s SER 871 Cb -0.14 -2.55 0.59 0.00 -1.71 0.00 0.00 66.02 62.21 1e90 s SER 871 CO -0.02 -2.14 1.78 0.71 1.20 0.00 0.00 173.24 174.77 1e90 h THR 872 N 6.58 1.27 -1.37 6.45 1.35 -1.69 -3.38 112.91 122.12 1e90 h THR 872 Ca -0.21 -1.32 0.15 0.00 -0.55 0.00 0.00 66.41 64.49 1e90 h THR 872 Cb 1.09 1.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.08 1e90 h THR 872 CO 1.26 0.39 0.36 0.61 -0.25 0.00 0.00 175.52 177.89 1e90 n GLY 873 N -0.39 0.30 3.33 5.82 0.00 -0.41 -4.69 105.19 109.14 1e90 n GLY 873 Ca -0.01 -0.88 -0.61 0.00 0.00 0.00 0.00 46.02 44.52 1e90 n GLY 873 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1e90 n ASP 874 N -0.37 0.82 0.00 1.61 4.64 -1.26 -0.88 116.55 121.11 1e90 n ASP 874 Ca 0.02 0.76 0.00 0.00 -1.38 0.00 0.00 54.79 54.19 1e90 n ASP 874 Cb 0.21 -0.90 0.00 0.00 -1.04 0.00 0.00 41.12 39.39 1e90 n ASP 874 CO 0.00 0.00 0.00 0.29 -0.82 0.00 0.00 177.20 176.67 1e90 n LYS 875 N 6.97 -0.73 -4.16 -0.67 4.76 -1.26 -4.93 118.16 118.14 1e90 n LYS 875 Ca 0.51 0.18 -0.15 0.00 -2.87 0.00 0.00 58.31 55.99 1e90 n LYS 875 Cb -0.04 -4.63 -0.11 0.00 -1.84 0.00 0.00 35.03 28.41 1e90 n LYS 875 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 1e90 s ILE 876 N -0.98 0.91 -0.01 -0.18 1.01 -0.06 -2.44 121.20 119.44 1e90 s ILE 876 Ca 0.00 -1.50 -0.15 0.00 0.00 0.00 0.00 60.65 59.00 1e90 s ILE 876 Cb 0.00 -1.20 0.05 0.00 0.01 0.00 0.00 42.46 41.32 1e90 s ILE 876 CO 0.00 -0.48 0.67 0.61 0.00 0.00 0.00 174.94 175.74 1e90 n GLY 877 N 0.81 0.40 3.70 6.18 0.00 -1.14 -1.28 105.19 113.86 1e90 n GLY 877 Ca -0.18 -0.94 -0.23 0.00 0.00 0.00 0.00 46.02 44.67 1e90 n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1e90 s MET 878 N -2.01 2.40 -0.03 1.61 0.23 -0.84 -1.97 119.30 118.70 1e90 s MET 878 Ca 0.16 -1.43 -0.00 0.00 -1.03 0.00 0.00 55.69 53.38 1e90 s MET 878 Cb -0.00 -2.21 0.03 0.00 -1.53 0.00 0.00 34.83 31.11 1e90 s MET 878 CO -0.00 0.26 0.02 0.42 -2.03 0.00 0.00 175.02 173.69 1e90 s ILE 879 N -2.35 0.01 0.28 3.16 -1.09 0.12 -2.93 121.20 118.41 1e90 s ILE 879 Ca 0.34 0.20 -0.29 0.00 -2.23 0.00 0.00 60.65 58.67 1e90 s ILE 879 Cb -0.05 -0.15 -0.10 0.00 -1.58 0.00 0.00 42.46 40.58 1e90 s ILE 879 CO 0.22 0.12 1.35 -0.70 -1.23 0.00 0.00 174.94 174.70 1e90 s GLU 880 N 1.18 4.33 -0.28 2.79 2.12 -0.37 -0.85 118.70 127.62 1e90 s GLU 880 Ca -0.08 2.22 -0.17 0.00 0.36 0.00 0.00 54.97 57.31 1e90 s GLU 880 Cb -0.13 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.13 1e90 s GLU 880 CO -0.03 -0.28 0.46 0.42 -0.54 0.00 0.00 175.26 175.29 1e90 s ILE 881 N -0.53 5.10 -0.32 -3.70 -1.09 -0.06 -4.81 121.20 115.79 1e90 s ILE 881 Ca 0.54 0.65 -0.24 0.00 -2.23 0.00 0.00 60.65 59.37 1e90 s ILE 881 Cb -0.40 -3.80 0.00 0.00 -1.58 0.00 0.00 42.46 36.68 1e90 s ILE 881 CO 0.47 0.06 0.81 -0.69 -1.23 0.00 0.00 174.94 174.36 1e90 s VAL 882 N 2.22 4.76 0.53 2.92 1.01 -1.26 -4.65 120.40 125.93 1e90 s VAL 882 Ca 0.18 1.14 -0.21 0.00 0.00 0.00 0.00 61.98 63.09 1e90 s VAL 882 Cb -0.16 -4.18 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 1e90 s VAL 882 CO 0.10 -0.32 1.22 -0.54 0.00 0.00 0.00 175.10 175.57 1e90 s LYS 883 N 3.04 3.33 -1.23 2.72 1.02 -1.26 -3.86 119.74 123.51 1e90 s LYS 883 Ca 0.33 1.89 -0.00 0.00 0.02 0.00 0.00 55.97 58.21 1e90 s LYS 883 Cb -0.14 -2.19 -0.00 0.00 -0.52 0.00 0.00 37.83 34.98 1e90 s LYS 883 CO 0.14 -0.94 0.90 -0.25 -0.92 0.00 0.00 175.35 174.29 1e90 n ASP 884 N -1.03 -1.84 -4.03 2.83 8.00 -1.26 -4.81 116.55 114.41 1e90 n ASP 884 Ca 0.10 -0.68 -0.11 0.00 0.71 0.00 0.00 54.79 54.81 1e90 n ASP 884 Cb 0.48 -4.79 -0.11 0.00 -0.02 0.00 0.00 41.12 36.68 1e90 n ASP 884 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1e90 s ALA 885 N -3.46 0.39 0.17 2.24 0.00 -1.25 -0.38 121.76 119.47 1e90 s ALA 885 Ca 0.01 -0.75 -0.04 0.00 0.00 0.00 0.00 51.96 51.18 1e90 s ALA 885 Cb -0.00 0.11 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1e90 s ALA 885 CO 0.76 -0.12 0.16 0.99 0.00 0.00 0.00 175.76 177.55 1e90 s THR 886 N -1.70 0.06 0.19 0.00 2.01 -0.48 -4.95 115.64 110.76 1e90 s THR 886 Ca -0.10 -1.76 -0.30 0.00 0.31 0.00 0.00 61.69 59.83 1e90 s THR 886 Cb -0.08 -2.12 -0.08 0.00 0.01 0.00 0.00 72.50 70.24 1e90 s THR 886 CO -0.01 -0.27 1.00 -0.89 -0.69 0.00 0.00 174.62 173.75 1e90 s THR 887 N -4.05 4.11 0.30 -0.82 2.01 -1.26 -1.74 115.64 114.19 1e90 s THR 887 Ca 0.26 1.93 0.02 0.00 0.31 0.00 0.00 61.69 64.20 1e90 s THR 887 Cb 0.06 -4.23 0.29 0.00 0.01 0.00 0.00 72.50 68.63 1e90 s THR 887 CO 0.04 0.38 1.88 0.40 -0.69 0.00 0.00 174.62 176.64 1e90 h ILE 888 N 3.55 0.99 -0.44 1.82 1.08 -1.39 -0.58 117.51 122.55 1e90 h ILE 888 Ca -0.44 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 63.67 1e90 h ILE 888 Cb 1.21 -0.08 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 1e90 h ILE 888 CO 0.70 0.18 0.18 0.00 -0.69 0.00 0.00 178.15 178.52 1e90 h ALA 889 N 1.53 0.57 -1.01 1.87 0.00 -1.75 -1.84 119.26 118.63 1e90 h ALA 889 Ca 0.43 -0.14 0.12 0.00 0.00 0.00 0.00 54.91 55.32 1e90 h ALA 889 Cb 0.35 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.89 1e90 h ALA 889 CO -0.19 0.16 0.63 0.87 0.00 0.00 0.00 179.25 180.73 1e90 h LYS 890 N 0.56 0.98 -0.82 0.00 1.79 -1.46 0.37 116.57 117.99 1e90 h LYS 890 Ca 0.15 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.53 1e90 h LYS 890 Cb 0.17 -0.22 -0.04 0.00 -1.58 0.00 0.00 32.23 30.56 1e90 h LYS 890 CO -0.01 0.65 0.40 0.82 -1.08 0.00 0.00 179.45 180.23 1e90 h ILE 891 N 1.01 1.25 -0.12 1.86 2.04 -0.52 -1.78 117.51 121.25 1e90 h ILE 891 Ca 0.49 -0.70 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 1e90 h ILE 891 Cb 0.46 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.74 1e90 h ILE 891 CO -0.26 0.30 -0.36 1.56 0.00 0.00 0.00 178.15 179.39 1e90 h GLN 892 N 1.16 0.46 -0.92 2.37 1.08 -0.15 -3.30 115.11 115.81 1e90 h GLN 892 Ca 0.28 -0.33 0.05 0.00 -1.45 0.00 0.00 58.65 57.20 1e90 h GLN 892 Cb 0.10 0.06 -0.06 0.00 -0.05 0.00 0.00 27.48 27.53 1e90 h GLN 892 CO -0.04 0.95 0.60 1.96 -0.95 0.00 0.00 178.83 181.36 1e90 h GLN 893 N 0.05 1.09 0.71 1.46 4.20 -0.15 -0.00 115.11 122.47 1e90 h GLN 893 Ca -0.01 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.60 1e90 h GLN 893 Cb 0.98 -0.25 0.00 0.00 0.30 0.00 0.00 27.48 28.52 1e90 h GLN 893 CO 0.08 0.72 -0.40 0.77 -0.67 0.00 0.00 178.83 179.33 1e90 h SER 894 N 1.13 -1.00 0.22 1.46 0.02 -1.41 -1.66 113.55 112.31 1e90 h SER 894 Ca 0.38 0.05 -0.01 0.00 -0.84 0.00 0.00 61.79 61.37 1e90 h SER 894 Cb 0.07 0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1e90 h SER 894 CO -0.12 -0.64 -0.24 0.74 -1.14 0.00 0.00 176.83 175.42 1e90 h THR 895 N -1.03 0.00 0.00 -2.27 2.02 -1.61 -3.42 112.91 106.60 1e90 h THR 895 Ca -0.10 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.08 1e90 h THR 895 Cb 0.82 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 67.23 1e90 h THR 895 CO 0.12 0.00 0.00 0.52 0.37 0.00 0.00 175.52 176.53 1e90 n VAL 896 N -3.81 0.00 0.00 3.16 0.31 -0.02 -5.12 118.33 112.85 1e90 n VAL 896 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.27 1e90 n VAL 896 Cb 0.22 -0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.14 1e90 n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1e90 n GLY 897 N 4.88 2.01 2.56 2.92 0.00 -0.63 -4.84 105.19 112.09 1e90 n GLY 897 Ca 0.00 0.02 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 1e90 n GLY 897 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1e90 n ASN 898 N 0.00 7.15 -4.18 1.61 3.02 -1.26 -4.22 115.26 117.38 1e90 n ASN 898 Ca 0.00 -3.32 -0.11 0.00 -0.03 0.00 0.00 54.58 51.11 1e90 n ASN 898 Cb 0.00 -1.24 -0.10 0.00 -0.61 0.00 0.00 39.78 37.83 1e90 n ASN 898 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1e90 s THR 899 N -2.55 0.23 -2.39 3.41 -4.23 -1.26 -5.05 115.64 103.79 1e90 s THR 899 Ca 0.55 -1.94 0.27 0.00 -1.18 0.00 0.00 61.69 59.38 1e90 s THR 899 Cb 0.32 -2.15 0.56 0.00 1.34 0.00 0.00 72.50 72.57 1e90 s THR 899 CO -0.21 -0.38 1.75 0.61 -0.54 0.00 0.00 174.62 175.85 1e90 n GLY 900 N -0.17 -0.05 2.66 3.99 0.00 -1.26 -4.60 105.19 105.76 1e90 n GLY 900 Ca -0.04 -0.41 -0.15 0.00 0.00 0.00 0.00 46.02 45.42 1e90 n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e90 n ALA 901 N 0.08 3.66 -1.73 4.61 0.00 -1.26 -4.89 120.51 120.98 1e90 n ALA 901 Ca 0.19 -1.37 -0.42 0.00 0.00 0.00 0.00 53.44 51.83 1e90 n ALA 901 Cb 0.32 -2.79 -0.02 0.00 0.00 0.00 0.00 19.45 16.97 1e90 n ALA 901 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1e90 n PHE 902 N 4.21 2.67 -2.67 0.00 0.99 -1.26 -4.95 117.46 116.44 1e90 n PHE 902 Ca 0.31 0.33 -0.21 0.00 -0.00 0.00 0.00 57.45 57.88 1e90 n PHE 902 Cb 0.13 -2.55 0.04 0.00 -1.00 0.00 0.00 39.48 36.10 1e90 n PHE 902 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 176.76 176.91 1e90 s LYS 903 N -0.72 2.54 -0.00 -1.08 -0.14 -1.26 -5.05 119.74 114.03 1e90 s LYS 903 Ca 0.63 -0.85 0.10 0.00 -1.36 0.00 0.00 55.97 54.50 1e90 s LYS 903 Cb -0.53 -2.51 -0.12 0.00 -1.68 0.00 0.00 37.83 32.99 1e90 s LYS 903 CO 0.51 -0.70 0.40 -0.25 -0.76 0.00 0.00 175.35 174.55 1e90 n ASP 904 N -2.31 0.84 -0.00 2.83 10.43 -1.26 -4.59 116.55 122.49 1e90 n ASP 904 Ca 0.08 -0.61 0.06 0.00 2.57 0.00 0.00 54.79 56.88 1e90 n ASP 904 Cb 0.60 1.08 -0.08 0.00 1.84 0.00 0.00 41.12 44.56 1e90 n ASP 904 CO 0.00 0.00 0.00 -1.84 -1.07 0.00 0.00 177.20 174.29 1e90 n GLU 905 N -1.35 2.10 -0.30 -1.24 -0.00 -1.26 -4.15 120.64 114.44 1e90 n GLU 905 Ca 0.01 -0.04 0.10 0.00 -0.00 0.00 0.00 57.16 57.23 1e90 n GLU 905 Cb 0.18 -1.14 0.22 0.00 -0.00 0.00 0.00 31.44 30.70 1e90 n GLU 905 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.13 177.41 1e90 h VAL 906 N 0.00 0.18 0.89 3.84 2.07 -1.94 -0.36 116.25 120.93 1e90 h VAL 906 Ca 0.00 -0.02 -0.04 0.00 0.82 0.00 0.00 66.70 67.45 1e90 h VAL 906 Cb 0.38 0.11 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1e90 h VAL 906 CO 0.00 0.01 -0.43 0.25 0.02 0.00 0.00 177.57 177.43 1e90 h LEU 907 N 0.07 -1.01 -2.16 2.57 6.46 -1.85 -0.84 115.31 118.54 1e90 h LEU 907 Ca 0.50 0.03 0.07 0.00 -0.12 0.00 0.00 57.88 58.36 1e90 h LEU 907 Cb 0.96 0.26 -0.01 0.00 -0.73 0.00 0.00 40.66 41.14 1e90 h LEU 907 CO -0.80 -0.70 0.22 -1.28 -0.62 0.00 0.00 178.44 175.26 1e90 h SER 908 N -1.22 0.00 1.60 1.25 0.87 -1.67 0.47 113.55 114.85 1e90 h SER 908 Ca -0.12 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.40 1e90 h SER 908 Cb 0.92 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1e90 h SER 908 CO 0.20 0.00 -0.21 0.45 -0.53 0.00 0.00 176.83 176.74 1e90 h HIS 909 N 0.00 0.00 0.11 2.24 3.86 -0.63 -2.50 115.15 118.23 1e90 h HIS 909 Ca 0.11 0.00 -0.32 0.00 -1.16 0.00 0.00 60.37 59.00 1e90 h HIS 909 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 1e90 h HIS 909 CO 0.00 0.21 -1.65 2.35 0.86 0.00 0.00 177.93 179.70 1e90 h TRP 910 N 0.00 0.42 -0.06 2.45 7.01 0.13 -3.19 115.95 122.71 1e90 h TRP 910 Ca -0.00 -0.31 -0.12 0.00 2.11 0.00 0.00 58.89 60.57 1e90 h TRP 910 Cb 1.06 -0.02 0.01 0.00 -2.10 0.00 0.00 29.16 28.11 1e90 h TRP 910 CO 0.00 1.43 -0.43 1.25 -2.79 0.00 0.00 178.44 177.90 1e90 h LEU 911 N 0.06 0.48 -1.12 0.65 6.46 -1.11 -2.70 115.31 118.04 1e90 h LEU 911 Ca -0.29 -0.67 -0.03 0.00 -0.12 0.00 0.00 57.88 56.77 1e90 h LEU 911 Cb 2.02 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 41.78 1e90 h LEU 911 CO 0.14 1.08 0.22 0.11 -0.62 0.00 0.00 178.44 179.38 1e90 h LYS 912 N -0.08 0.85 -0.09 1.25 1.57 -1.62 0.87 116.57 119.33 1e90 h LYS 912 Ca -0.04 -0.13 -0.08 0.00 -1.87 0.00 0.00 60.65 58.53 1e90 h LYS 912 Cb 1.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 33.24 1e90 h LYS 912 CO 0.09 0.70 -0.29 1.05 -0.57 0.00 0.00 179.45 180.43 1e90 h GLU 913 N 0.84 0.16 0.00 3.15 -0.00 -1.58 -2.42 114.58 114.72 1e90 h GLU 913 Ca 0.20 -0.05 -0.11 0.00 -0.00 0.00 0.00 59.36 59.39 1e90 h GLU 913 Cb 0.18 -0.01 -0.02 0.00 -0.00 0.00 0.00 28.75 28.90 1e90 h GLU 913 CO -0.02 0.44 -0.65 0.87 -0.00 0.00 0.00 179.01 179.65 1e90 h LYS 914 N 0.14 0.00 -2.28 1.06 1.79 -0.96 -3.37 116.57 112.95 1e90 h LYS 914 Ca 0.02 0.00 -0.70 0.00 -2.18 0.00 0.00 60.65 57.79 1e90 h LYS 914 Cb 0.60 0.00 -0.34 0.00 -1.58 0.00 0.00 32.23 30.90 1e90 h LYS 914 CO 0.04 0.47 0.20 0.00 -1.08 0.00 0.00 179.45 179.08 1e90 h PRO 916 N 3.63 0.21 -6.22 0.00 0.11 -1.74 -3.36 132.00 124.63 1e90 h PRO 916 Ca 0.33 -0.01 -0.57 0.00 0.11 0.00 0.00 66.00 65.86 1e90 h PRO 916 Cb 0.42 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.46 1e90 h PRO 916 CO 1.00 0.14 1.27 0.42 -0.21 0.00 0.00 178.00 180.62 1e90 s ILE 917 N -6.08 3.40 0.14 4.15 1.09 -1.26 -4.87 121.20 117.78 1e90 s ILE 917 Ca -0.13 0.43 -0.26 0.00 -1.10 0.00 0.00 60.65 59.59 1e90 s ILE 917 Cb 0.21 -3.46 -0.01 0.00 -1.06 0.00 0.00 42.46 38.14 1e90 s ILE 917 CO 0.75 -0.24 1.60 -0.33 -0.10 0.00 0.00 174.94 176.61 1e90 h GLU 918 N 12.47 -0.37 0.00 2.79 4.39 -1.99 0.14 114.58 132.01 1e90 h GLU 918 Ca -0.37 0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.36 1e90 h GLU 918 Cb 1.19 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.92 1e90 h GLU 918 CO 1.00 -0.24 0.53 0.93 -1.16 0.00 0.00 179.01 180.07 1e90 h GLU 919 N -0.38 0.00 -0.02 2.33 5.08 -1.90 1.28 114.58 120.97 1e90 h GLU 919 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1e90 h GLU 919 Cb 0.57 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.82 1e90 h GLU 919 CO -0.42 0.00 -0.29 1.17 -1.00 0.00 0.00 179.01 178.47 1e90 n LYS 920 N -2.36 1.52 -0.08 2.33 4.81 0.03 -3.59 118.16 120.82 1e90 n LYS 920 Ca -0.01 -1.21 -0.10 0.00 -0.87 0.00 0.00 58.31 56.12 1e90 n LYS 920 Cb 0.55 -1.47 -0.05 0.00 0.02 0.00 0.00 35.03 34.07 1e90 n LYS 920 CO 0.00 0.00 0.00 0.35 1.17 0.00 0.00 177.40 178.92 1e90 h PHE 921 N 2.96 0.00 -0.20 5.64 3.57 0.17 -2.43 116.94 126.65 1e90 h PHE 921 Ca 0.00 0.00 0.06 0.00 3.53 0.00 0.00 57.97 61.56 1e90 h PHE 921 Cb 0.78 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.52 1e90 h PHE 921 CO 0.00 0.55 0.16 1.96 -2.23 0.00 0.00 178.31 178.76 1e90 h GLN 922 N -1.00 0.00 -0.03 1.11 1.08 -1.75 0.94 115.11 115.45 1e90 h GLN 922 Ca -0.11 0.00 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 1e90 h GLN 922 Cb 0.74 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.17 1e90 h GLN 922 CO -0.07 0.00 -0.14 0.00 -0.95 0.00 0.00 178.83 177.67 1e90 h ALA 923 N 1.86 0.06 0.00 3.87 0.00 -1.68 -1.49 119.26 121.88 1e90 h ALA 923 Ca 0.10 -0.38 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1e90 h ALA 923 Cb 0.43 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1e90 h ALA 923 CO -0.00 -0.01 -0.26 0.00 0.00 0.00 0.00 179.25 178.98 1e90 h ALA 924 N 0.39 1.49 -0.03 0.00 0.00 -0.62 -1.48 119.26 119.00 1e90 h ALA 924 Ca -0.01 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1e90 h ALA 924 Cb 0.79 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 1e90 h ALA 924 CO 0.03 0.33 -0.05 0.28 0.00 0.00 0.00 179.25 179.83 1e90 h VAL 925 N 0.00 1.42 -0.69 0.00 2.07 0.90 -1.22 116.25 118.73 1e90 h VAL 925 Ca -0.00 -1.33 -0.02 0.00 0.82 0.00 0.00 66.70 66.17 1e90 h VAL 925 Cb 0.49 2.25 -0.03 0.00 -1.52 0.00 0.00 31.29 32.47 1e90 h VAL 925 CO 0.03 0.36 0.36 -0.08 0.02 0.00 0.00 177.57 178.26 1e90 h GLU 926 N -0.43 0.97 0.29 1.57 4.81 -1.11 -0.98 114.58 119.71 1e90 h GLU 926 Ca 0.00 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 1e90 h GLU 926 Cb 0.61 -0.19 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1e90 h GLU 926 CO 0.01 0.73 -0.33 0.00 -0.73 0.00 0.00 179.01 178.69 1e90 h ARG 927 N 0.97 -0.64 -0.44 1.92 2.47 -1.20 -1.70 114.38 115.76 1e90 h ARG 927 Ca 0.24 0.04 0.09 0.00 -1.26 0.00 0.00 59.98 59.10 1e90 h ARG 927 Cb 0.06 0.15 -0.09 0.00 -1.65 0.00 0.00 29.97 28.43 1e90 h ARG 927 CO -0.04 -0.43 -0.17 0.35 0.56 0.00 0.00 179.97 180.24 1e90 h PHE 928 N -0.67 -0.42 -0.82 3.04 3.57 0.08 0.42 116.94 122.14 1e90 h PHE 928 Ca -0.01 0.05 0.14 0.00 3.53 0.00 0.00 57.97 61.68 1e90 h PHE 928 Cb 0.62 0.25 -0.09 0.00 2.79 0.00 0.00 35.95 39.52 1e90 h PHE 928 CO -0.21 -0.26 0.41 0.28 -2.23 0.00 0.00 178.31 176.30 1e90 h VAL 929 N -0.08 0.73 0.07 1.41 2.07 -0.80 0.37 116.25 120.02 1e90 h VAL 929 Ca 0.21 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.53 1e90 h VAL 929 Cb 0.41 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.26 1e90 h VAL 929 CO -0.50 0.11 -0.03 1.88 0.02 0.00 0.00 177.57 179.05 1e90 h TYR 930 N 0.59 -0.09 -0.53 1.57 -1.99 -0.19 -2.13 116.97 114.19 1e90 h TYR 930 Ca 0.45 -0.00 0.08 0.00 2.00 0.00 0.00 58.73 61.26 1e90 h TYR 930 Cb 0.63 0.03 -0.07 0.00 2.00 0.00 0.00 36.73 39.32 1e90 h TYR 930 CO -0.10 0.42 0.15 0.66 -0.00 0.00 0.00 178.16 179.28 1e90 h SER 931 N -0.94 0.10 0.20 3.88 4.64 -0.10 1.19 113.55 122.53 1e90 h SER 931 Ca -0.01 0.08 -0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1e90 h SER 931 Cb 0.55 0.09 -0.00 0.00 -0.31 0.00 0.00 62.40 62.72 1e90 h SER 931 CO 0.02 0.08 -0.13 0.00 -0.87 0.00 0.00 176.83 175.92 1e90 h ALA 933 N 0.46 0.57 0.00 0.00 0.00 -0.69 0.05 119.26 119.65 1e90 h ALA 933 Ca -0.02 -0.03 0.02 0.00 0.00 0.00 0.00 54.91 54.89 1e90 h ALA 933 Cb 0.28 -0.17 -0.06 0.00 0.00 0.00 0.00 17.79 17.84 1e90 h ALA 933 CO 0.01 0.00 -0.49 0.78 0.00 0.00 0.00 179.25 179.55 1e90 h GLY 934 N 0.59 -0.99 1.67 0.00 0.00 0.18 -0.45 103.07 104.08 1e90 h GLY 934 Ca 0.17 0.60 -0.03 0.00 0.00 0.00 0.00 47.33 48.07 1e90 h GLY 934 CO -0.05 -0.24 0.02 -0.97 0.00 0.00 0.00 176.54 175.30 1e90 h TYR 935 N -0.64 0.42 -0.20 5.60 -1.99 -0.94 -1.94 116.97 117.28 1e90 h TYR 935 Ca 0.03 -0.03 0.04 0.00 2.00 0.00 0.00 58.73 60.77 1e90 h TYR 935 Cb 0.70 -0.13 -0.04 0.00 2.00 0.00 0.00 36.73 39.27 1e90 h TYR 935 CO -0.48 0.41 -0.03 0.00 -0.00 0.00 0.00 178.16 178.06 1e90 h VAL 937 N 0.02 0.83 -0.01 0.00 2.07 -0.79 -2.72 116.25 115.65 1e90 h VAL 937 Ca 0.09 -0.73 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1e90 h VAL 937 Cb 0.14 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1e90 h VAL 937 CO -0.19 0.15 -0.12 0.00 0.02 0.00 0.00 177.57 177.43 1e90 h ALA 938 N -0.07 -0.13 -0.72 1.67 0.00 -1.31 -2.56 119.26 116.15 1e90 h ALA 938 Ca -0.03 0.01 0.07 0.00 0.00 0.00 0.00 54.91 54.96 1e90 h ALA 938 Cb 0.48 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1e90 h ALA 938 CO 0.05 -0.61 0.40 1.15 0.00 0.00 0.00 179.25 180.24 1e90 h THR 939 N -0.20 0.96 0.35 0.00 2.02 -0.85 -2.41 112.91 112.79 1e90 h THR 939 Ca 0.05 -0.25 -0.01 0.00 0.77 0.00 0.00 66.41 66.97 1e90 h THR 939 Cb 0.26 0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.83 1e90 h THR 939 CO -0.13 0.13 -0.25 0.15 0.37 0.00 0.00 175.52 175.79 1e90 h PHE 940 N 0.73 -0.67 -0.63 3.16 3.57 -1.24 -2.33 116.94 119.53 1e90 h PHE 940 Ca 0.33 -0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.99 1e90 h PHE 940 Cb 0.22 0.25 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 1e90 h PHE 940 CO -0.07 -0.39 0.45 0.28 -2.23 0.00 0.00 178.31 176.35 1e90 h VAL 941 N -0.60 0.72 -0.01 1.41 2.07 -1.15 0.86 116.25 119.54 1e90 h VAL 941 Ca -0.03 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.46 1e90 h VAL 941 Cb 0.52 0.62 0.00 0.00 -1.52 0.00 0.00 31.29 30.90 1e90 h VAL 941 CO 0.01 0.02 -0.03 0.18 0.02 0.00 0.00 177.57 177.77 1e90 n LEU 942 N -4.39 1.38 -2.95 2.57 4.77 -0.93 -4.65 117.00 112.80 1e90 n LEU 942 Ca 0.12 -0.45 -0.19 0.00 -0.03 0.00 0.00 56.01 55.46 1e90 n LEU 942 Cb 0.64 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.77 1e90 n LEU 942 CO 0.36 0.23 0.17 0.61 -1.33 0.00 0.00 177.39 177.43 1e90 n GLY 943 N 1.19 -0.28 2.52 -0.72 0.00 0.29 -4.92 105.19 103.28 1e90 n GLY 943 Ca 0.18 0.07 -0.00 0.00 0.00 0.00 0.00 46.02 46.27 1e90 n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1e90 n ILE 944 N -4.52 1.11 0.07 -0.61 -5.35 -1.00 -4.91 119.36 104.15 1e90 n ILE 944 Ca -0.01 -2.64 -0.17 0.00 -0.27 0.00 0.00 62.75 59.67 1e90 n ILE 944 Cb 0.56 1.11 -0.14 0.00 -1.74 0.00 0.00 39.64 39.42 1e90 n ILE 944 CO 0.00 0.00 0.00 1.23 -1.76 0.00 0.00 176.55 176.02 1e90 h GLY 945 N 2.27 0.29 -7.38 3.28 0.00 -1.71 -3.43 103.07 96.38 1e90 h GLY 945 Ca -0.13 -0.73 -0.52 0.00 0.00 0.00 0.00 47.33 45.95 1e90 h GLY 945 CO 0.19 0.64 1.24 -0.35 0.00 0.00 0.00 176.54 178.26 1e90 s ASP 946 N -6.99 5.65 0.02 0.19 -1.08 -1.25 -3.55 116.67 109.66 1e90 s ASP 946 Ca -0.08 0.12 -0.04 0.00 -0.52 0.00 0.00 52.55 52.03 1e90 s ASP 946 Cb 0.07 -2.54 -0.01 0.00 -1.46 0.00 0.00 42.92 38.98 1e90 s ASP 946 CO 0.86 -2.12 0.06 -0.13 0.52 0.00 0.00 175.17 174.35 1e90 s ARG 947 N 6.44 0.44 0.63 4.34 0.52 -1.26 -5.05 118.95 125.00 1e90 s ARG 947 Ca 0.56 -0.58 -0.19 0.00 -0.52 0.00 0.00 55.73 55.00 1e90 s ARG 947 Cb -0.11 0.17 -0.02 0.00 0.52 0.00 0.00 34.95 35.51 1e90 s ARG 947 CO 0.20 -0.10 1.28 1.58 0.02 0.00 0.00 175.30 178.28 1e90 n HIS 948 N 1.32 1.92 0.28 -0.53 -0.00 -1.26 -4.88 115.22 112.07 1e90 n HIS 948 Ca -0.22 0.42 0.17 0.00 -0.00 0.00 0.00 57.72 58.09 1e90 n HIS 948 Cb 0.56 -2.28 0.87 0.00 -0.00 0.00 0.00 29.99 29.15 1e90 n HIS 948 CO 0.00 0.00 0.00 -0.97 -0.00 0.00 0.00 176.34 175.37 1e90 h ASN 949 N 0.70 0.00 1.22 0.26 -0.73 -1.96 -2.28 115.58 112.79 1e90 h ASN 949 Ca -0.51 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.66 1e90 h ASN 949 Cb 1.34 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.93 1e90 h ASN 949 CO 0.54 0.00 -0.32 -0.78 -0.37 0.00 0.00 177.43 176.50 1e90 h ASP 950 N 0.00 0.00 -0.71 1.15 3.58 -1.96 -2.76 116.42 115.73 1e90 h ASP 950 Ca 0.00 -0.09 -0.18 0.00 0.42 0.00 0.00 57.03 57.17 1e90 h ASP 950 Cb 0.10 0.00 -0.11 0.00 1.72 0.00 0.00 39.33 41.04 1e90 h ASP 950 CO 0.00 0.05 0.23 0.59 -2.88 0.00 0.00 179.24 177.22 1e90 n ASN 951 N -2.27 4.95 -4.01 2.28 5.03 -0.86 -4.82 115.26 115.56 1e90 n ASN 951 Ca 0.04 -3.19 -0.22 0.00 0.87 0.00 0.00 54.58 52.08 1e90 n ASN 951 Cb 0.45 -0.74 -0.16 0.00 -1.02 0.00 0.00 39.78 38.31 1e90 n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1e90 s ILE 952 N -2.97 0.92 0.32 2.41 1.01 -1.25 -2.03 121.20 119.60 1e90 s ILE 952 Ca 0.55 -0.41 0.09 0.00 0.00 0.00 0.00 60.65 60.88 1e90 s ILE 952 Cb 0.44 -0.82 -0.06 0.00 0.01 0.00 0.00 42.46 42.02 1e90 s ILE 952 CO 0.14 0.29 -0.09 -0.04 0.00 0.00 0.00 174.94 175.23 1e90 s MET 953 N 0.34 1.71 0.02 2.79 -1.94 -0.71 -1.56 119.30 119.94 1e90 s MET 953 Ca -0.06 -1.87 -0.00 0.00 -1.71 0.00 0.00 55.69 52.05 1e90 s MET 953 Cb -0.11 -1.51 -0.02 0.00 2.01 0.00 0.00 34.83 35.20 1e90 s MET 953 CO 0.01 0.12 -0.02 -1.50 -0.01 0.00 0.00 175.02 173.62 1e90 s ILE 954 N -2.75 0.10 0.27 2.53 1.10 -0.71 -0.72 121.20 121.03 1e90 s ILE 954 Ca 0.31 -0.80 0.07 0.00 -0.51 0.00 0.00 60.65 59.72 1e90 s ILE 954 Cb 0.02 -0.24 -0.03 0.00 0.15 0.00 0.00 42.46 42.36 1e90 s ILE 954 CO 0.15 -0.44 0.20 -0.94 -2.11 0.00 0.00 174.94 171.79 1e90 s SER 955 N -1.30 5.37 0.00 4.50 1.04 -0.05 -1.39 113.70 121.88 1e90 s SER 955 Ca -0.14 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 55.94 1e90 s SER 955 Cb -0.09 -1.26 0.00 0.00 0.10 0.00 0.00 66.02 64.78 1e90 s SER 955 CO -0.01 -0.10 0.48 -0.62 0.98 0.00 0.00 173.24 173.96 1e90 n GLU 956 N -1.19 0.53 -0.00 4.02 1.02 0.49 0.10 120.64 125.61 1e90 n GLU 956 Ca -0.06 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.08 1e90 n GLU 956 Cb 0.58 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.95 1e90 n GLU 956 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1e90 n THR 957 N -0.35 0.47 -1.31 2.62 -2.24 -1.26 -4.78 114.28 107.43 1e90 n THR 957 Ca 0.00 -0.74 0.00 0.00 -2.27 0.00 0.00 64.05 61.04 1e90 n THR 957 Cb 0.03 0.76 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1e90 n THR 957 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e90 n GLY 958 N -0.23 0.47 3.57 3.38 0.00 0.12 -4.15 105.19 108.34 1e90 n GLY 958 Ca 0.00 -0.92 -0.39 0.00 0.00 0.00 0.00 46.02 44.72 1e90 n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1e90 s ASN 959 N -2.91 6.05 0.10 1.61 3.84 -1.24 -1.28 114.94 121.11 1e90 s ASN 959 Ca 0.00 -0.13 -0.15 0.00 0.21 0.00 0.00 52.86 52.79 1e90 s ASN 959 Cb 0.00 -2.13 -0.06 0.00 -0.55 0.00 0.00 41.25 38.50 1e90 s ASN 959 CO 0.00 -0.13 0.50 -0.22 -2.79 0.00 0.00 177.10 174.46 1e90 s LEU 960 N 1.78 4.40 -0.29 3.21 2.96 -1.26 -0.87 118.68 128.61 1e90 s LEU 960 Ca 0.07 1.05 -0.14 0.00 -0.22 0.00 0.00 54.13 54.89 1e90 s LEU 960 Cb -0.16 -3.04 0.11 0.00 0.50 0.00 0.00 46.19 43.60 1e90 s LEU 960 CO 0.11 0.18 0.73 0.72 -1.32 0.00 0.00 176.35 176.77 1e90 s PHE 961 N -1.32 -1.09 0.68 5.38 -0.12 0.11 -4.61 117.98 117.00 1e90 s PHE 961 Ca 0.33 2.03 -0.15 0.00 -0.05 0.00 0.00 56.93 59.09 1e90 s PHE 961 Cb -0.16 0.65 0.01 0.00 -0.63 0.00 0.00 43.02 42.89 1e90 s PHE 961 CO 0.18 -0.54 1.12 -1.01 -0.05 0.00 0.00 175.22 174.92 1e90 s HIS 962 N 2.14 2.53 0.00 3.49 3.76 -1.26 -1.74 115.29 124.20 1e90 s HIS 962 Ca -0.08 1.56 0.00 0.00 -0.15 0.00 0.00 55.06 56.39 1e90 s HIS 962 Cb -0.08 -3.20 0.00 0.00 1.11 0.00 0.00 32.58 30.41 1e90 s HIS 962 CO -0.19 -1.83 0.00 0.44 -0.85 0.00 0.00 174.74 172.31 1e90 n ILE 963 N -2.55 0.00 -0.21 0.60 -5.35 -0.86 -4.88 119.36 106.11 1e90 n ILE 963 Ca 0.11 0.00 -0.05 0.00 -0.27 0.00 0.00 62.75 62.54 1e90 n ILE 963 Cb 0.52 0.00 -0.03 0.00 -1.74 0.00 0.00 39.64 38.39 1e90 n ILE 963 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1e90 n ASP 964 N 0.00 -0.06 -1.40 7.28 -0.08 -1.26 -4.69 116.55 116.34 1e90 n ASP 964 Ca 0.00 -0.02 0.02 0.00 -1.51 0.00 0.00 54.79 53.28 1e90 n ASP 964 Cb 0.00 -0.10 0.28 0.00 2.34 0.00 0.00 41.12 43.64 1e90 n ASP 964 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1e90 n PHE 965 N 1.15 1.58 0.00 -0.67 3.01 -1.26 -4.93 117.46 116.33 1e90 n PHE 965 Ca 0.09 -1.09 0.00 0.00 1.01 0.00 0.00 57.45 57.46 1e90 n PHE 965 Cb 0.01 -0.49 0.00 0.00 -0.01 0.00 0.00 39.48 38.99 1e90 n PHE 965 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1e90 n GLY 966 N -0.39 0.00 0.01 1.37 0.00 -1.26 -4.31 105.19 100.61 1e90 n GLY 966 Ca 0.30 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.32 1e90 n GLY 966 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1e90 h HIS 967 N 0.00 0.00 0.00 1.61 3.86 -1.91 -3.41 115.15 115.30 1e90 h HIS 967 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1e90 h HIS 967 Cb 0.00 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.47 1e90 h HIS 967 CO 0.00 0.00 0.00 1.51 0.86 0.00 0.00 177.93 180.30 1e90 n ILE 968 N -2.72 0.00 -0.85 2.45 0.00 -1.26 -5.07 119.36 111.91 1e90 n ILE 968 Ca -0.01 0.00 0.03 0.00 0.00 0.00 0.00 62.75 62.77 1e90 n ILE 968 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 39.64 39.68 1e90 n ILE 968 CO 0.00 0.00 0.00 2.29 0.00 0.00 0.00 176.55 178.84 1e90 n LYS 980 N 0.00 -0.49 -2.70 9.51 2.85 -1.26 -5.09 118.16 120.97 1e90 n LYS 980 Ca 0.00 0.32 -0.35 0.00 -1.05 0.00 0.00 58.31 57.23 1e90 n LYS 980 Cb 0.00 -0.60 -0.06 0.00 -0.65 0.00 0.00 35.03 33.72 1e90 n LYS 980 CO 0.00 0.00 0.00 -1.21 -0.05 0.00 0.00 177.40 176.14 1e90 s GLU 981 N -1.06 4.27 0.08 -1.58 0.41 -1.26 -5.07 118.70 114.49 1e90 s GLU 981 Ca 0.00 1.31 -0.15 0.00 -0.41 0.00 0.00 54.97 55.73 1e90 s GLU 981 Cb 0.00 -2.45 0.02 0.00 -1.78 0.00 0.00 34.13 29.92 1e90 s GLU 981 CO 0.00 -0.01 0.34 1.03 -0.49 0.00 0.00 175.26 176.13 1e90 s ARG 982 N -2.66 0.93 0.04 1.61 0.52 -1.26 -5.00 118.95 113.13 1e90 s ARG 982 Ca 0.58 -0.62 0.03 0.00 -0.52 0.00 0.00 55.73 55.20 1e90 s ARG 982 Cb -0.16 0.40 -0.02 0.00 0.52 0.00 0.00 34.95 35.69 1e90 s ARG 982 CO 0.21 -0.33 -0.10 0.54 0.02 0.00 0.00 175.30 175.64 1e90 s VAL 983 N -3.17 0.74 0.21 3.52 0.11 -1.26 -5.04 120.40 115.51 1e90 s VAL 983 Ca -0.01 -1.01 -0.10 0.00 -2.93 0.00 0.00 61.98 57.93 1e90 s VAL 983 Cb 0.01 -0.74 0.15 0.00 -1.53 0.00 0.00 36.38 34.27 1e90 s VAL 983 CO -0.07 -0.22 1.87 1.55 -3.33 0.00 0.00 175.10 174.90 1e90 h PRO 984 N 4.72 0.99 -2.99 1.54 0.13 -1.92 -3.32 132.00 131.14 1e90 h PRO 984 Ca -0.36 -0.07 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 1e90 h PRO 984 Cb 1.19 -0.22 0.00 0.00 0.13 0.00 0.00 31.00 32.11 1e90 h PRO 984 CO 0.42 0.67 0.28 -0.59 -0.23 0.00 0.00 178.00 178.55 1e90 s PHE 985 N -6.09 0.11 -0.39 1.56 -0.12 -1.26 -4.03 117.98 107.75 1e90 s PHE 985 Ca -0.13 -0.78 -0.21 0.00 -0.05 0.00 0.00 56.93 55.76 1e90 s PHE 985 Cb 0.15 0.84 0.01 0.00 -0.63 0.00 0.00 43.02 43.39 1e90 s PHE 985 CO 0.78 -1.55 0.69 0.08 -0.05 0.00 0.00 175.22 175.17 1e90 s VAL 986 N -2.36 4.80 -0.33 -2.49 1.01 -1.23 -4.86 120.40 114.94 1e90 s VAL 986 Ca 0.15 0.51 0.16 0.00 0.00 0.00 0.00 61.98 62.81 1e90 s VAL 986 Cb -0.05 -4.18 0.43 0.00 0.00 0.00 0.00 36.38 32.58 1e90 s VAL 986 CO 0.11 -0.48 0.89 -0.11 0.00 0.00 0.00 175.10 175.52 1e90 n LEU 987 N 6.29 1.26 -4.57 3.92 7.94 -1.26 -4.96 117.00 125.63 1e90 n LEU 987 Ca 0.00 -4.07 -0.31 0.00 -1.11 0.00 0.00 56.01 50.52 1e90 n LEU 987 Cb 0.48 0.51 0.17 0.00 0.53 0.00 0.00 43.42 45.12 1e90 n LEU 987 CO 0.53 1.76 0.45 0.35 -1.11 0.00 0.00 177.39 179.37 1e90 n THR 988 N 0.03 0.00 -0.20 1.96 -2.24 -1.26 -4.63 114.28 107.94 1e90 n THR 988 Ca 0.13 -0.12 0.17 0.00 -2.27 0.00 0.00 64.05 61.97 1e90 n THR 988 Cb 0.78 -0.91 0.51 0.00 -2.10 0.00 0.00 70.33 68.61 1e90 n THR 988 CO 0.00 0.00 0.00 -0.65 -0.57 0.00 0.00 175.07 173.85 1e90 h PRO 989 N -1.97 0.40 0.00 -0.78 0.11 -1.91 0.17 132.00 128.02 1e90 h PRO 989 Ca -0.46 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1e90 h PRO 989 Cb 1.29 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1e90 h PRO 989 CO 0.41 0.26 -0.31 0.38 -0.21 0.00 0.00 178.00 178.53 1e90 h ASP 990 N 0.41 0.00 0.16 -2.05 2.03 -1.81 -0.55 116.42 114.60 1e90 h ASP 990 Ca 0.42 0.00 -0.01 0.00 -0.73 0.00 0.00 57.03 56.71 1e90 h ASP 990 Cb 1.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.51 1e90 h ASP 990 CO -0.14 0.31 -0.08 -0.26 -1.03 0.00 0.00 179.24 178.04 1e90 h PHE 991 N 0.00 -0.20 -0.26 4.15 -1.00 -1.29 -3.09 116.94 115.25 1e90 h PHE 991 Ca -0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.85 1e90 h PHE 991 Cb 0.61 0.07 -0.01 0.00 3.61 0.00 0.00 35.95 40.22 1e90 h PHE 991 CO 0.00 -0.00 0.30 -0.07 -1.61 0.00 0.00 178.31 176.93 1e90 h LEU 992 N -1.03 0.00 -0.10 1.54 3.38 -1.36 -1.38 115.31 116.36 1e90 h LEU 992 Ca -0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.92 1e90 h LEU 992 Cb 0.28 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1e90 h LEU 992 CO 0.04 0.00 -0.07 0.15 0.09 0.00 0.00 178.44 178.65 1e90 h PHE 993 N 0.00 0.25 -0.05 1.13 3.57 -1.13 -2.29 116.94 118.43 1e90 h PHE 993 Ca 0.12 -0.07 0.01 0.00 3.53 0.00 0.00 57.97 61.57 1e90 h PHE 993 Cb 0.72 -0.06 -0.00 0.00 2.79 0.00 0.00 35.95 39.41 1e90 h PHE 993 CO 0.00 0.60 0.08 0.28 -2.23 0.00 0.00 178.31 177.04 1e90 h VAL 994 N -0.17 0.30 -0.30 1.41 2.07 -1.17 0.67 116.25 119.06 1e90 h VAL 994 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1e90 h VAL 994 Cb 0.55 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.24 1e90 h VAL 994 CO 0.02 0.00 0.00 0.23 0.02 0.00 0.00 177.57 177.84 1e90 n MET 995 N -3.52 2.27 -2.99 1.57 2.81 -1.05 -4.91 117.12 111.30 1e90 n MET 995 Ca -0.02 -1.33 -0.12 0.00 -1.81 0.00 0.00 57.70 54.42 1e90 n MET 995 Cb 0.17 -1.55 0.06 0.00 -0.71 0.00 0.00 33.22 31.19 1e90 n MET 995 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1e90 n GLY 996 N 0.68 -0.31 2.87 3.03 0.00 0.23 -3.72 105.19 107.97 1e90 n GLY 996 Ca 0.12 0.08 -0.12 0.00 0.00 0.00 0.00 46.02 46.11 1e90 n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e90 s THR 997 N -3.28 -0.53 -0.01 2.61 2.01 -0.89 -4.72 115.64 110.83 1e90 s THR 997 Ca 0.11 -0.15 -0.01 0.00 0.31 0.00 0.00 61.69 61.95 1e90 s THR 997 Cb -0.01 -0.82 -0.00 0.00 0.01 0.00 0.00 72.50 71.67 1e90 s THR 997 CO 0.55 -0.19 -0.01 -1.28 -0.69 0.00 0.00 174.62 173.00 1e90 h SER 998 N 8.21 0.00 -1.31 3.53 0.87 -1.85 -3.25 113.55 119.76 1e90 h SER 998 Ca -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.39 1e90 h SER 998 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1e90 h SER 998 CO 0.28 0.07 0.00 0.61 -0.53 0.00 0.00 176.83 177.26 1e90 n GLY 999 N 1.84 -0.20 0.99 5.77 0.00 -1.26 -4.88 105.19 107.46 1e90 n GLY 999 Ca -0.00 -1.75 0.00 0.00 0.00 0.00 0.00 46.02 44.26 1e90 n GLY 999 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1e90 n LYS 1000N -0.40 0.79 -3.73 1.61 4.76 -1.26 -4.79 118.16 115.13 1e90 n LYS 1000Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1e90 n LYS 1000Cb 0.00 -1.11 -0.07 0.00 -1.84 0.00 0.00 35.03 32.01 1e90 n LYS 1000CO 0.00 0.00 0.00 -1.59 -1.37 0.00 0.00 177.40 174.44 1e90 s LYS 1001N 0.20 4.01 1.40 1.97 -2.85 -1.26 -5.09 119.74 118.11 1e90 s LYS 1001Ca 0.00 -0.12 -0.21 0.00 -1.00 0.00 0.00 55.97 54.64 1e90 s LYS 1001Cb 0.00 -3.36 0.36 0.00 -2.06 0.00 0.00 37.83 32.77 1e90 s LYS 1001CO 0.00 0.42 0.91 -2.37 0.10 0.00 0.00 175.35 174.41 1e90 n THR 1002N 3.09 0.00 -3.73 3.79 5.66 -1.26 -4.73 114.28 117.09 1e90 n THR 1002Ca -0.16 -0.17 -0.07 0.00 -3.05 0.00 0.00 64.05 60.60 1e90 n THR 1002Cb 0.53 -0.99 -0.02 0.00 -1.55 0.00 0.00 70.33 68.30 1e90 n THR 1002CO 0.00 0.00 0.00 -0.55 -3.05 0.00 0.00 175.07 171.47 1e90 s SER 1003N -2.85 -0.30 0.07 1.09 0.15 -1.26 -4.92 113.70 105.67 1e90 s SER 1003Ca 0.68 -0.41 -0.25 0.00 0.70 0.00 0.00 55.95 56.67 1e90 s SER 1003Cb -0.17 0.62 -0.16 0.00 -1.71 0.00 0.00 66.02 64.60 1e90 s SER 1003CO 0.60 -1.12 1.63 -0.07 1.20 0.00 0.00 173.24 175.47 1e90 h LEU 1004N 2.00 -0.10 -0.38 3.45 3.38 -1.88 0.21 115.31 122.00 1e90 h LEU 1004Ca -0.23 -0.08 -0.18 0.00 0.09 0.00 0.00 57.88 57.48 1e90 h LEU 1004Cb 1.25 0.03 -0.00 0.00 0.09 0.00 0.00 40.66 42.03 1e90 h LEU 1004CO 0.27 0.02 -0.53 0.45 0.09 0.00 0.00 178.44 178.73 1e90 h HIS 1005N -0.22 0.98 -0.72 1.13 3.86 -1.93 -1.29 115.15 116.97 1e90 h HIS 1005Ca -0.01 -0.34 -0.03 0.00 -1.16 0.00 0.00 60.37 58.83 1e90 h HIS 1005Cb 0.18 -0.19 -0.03 0.00 1.06 0.00 0.00 27.41 28.43 1e90 h HIS 1005CO -0.04 1.14 0.35 0.35 0.86 0.00 0.00 177.93 180.59 1e90 h PHE 1006N 0.61 1.01 -0.44 2.45 3.57 -1.62 0.69 116.94 123.21 1e90 h PHE 1006Ca 0.02 -0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.36 1e90 h PHE 1006Cb 1.12 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 39.53 1e90 h PHE 1006CO 0.06 0.73 -0.19 1.96 -2.23 0.00 0.00 178.31 178.65 1e90 h GLN 1007N 1.01 0.87 0.12 1.11 4.20 -0.42 -0.98 115.11 121.03 1e90 h GLN 1007Ca 0.25 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.61 1e90 h GLN 1007Cb 0.10 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 27.83 1e90 h GLN 1007CO -0.03 0.98 -0.06 -0.22 -0.67 0.00 0.00 178.83 178.83 1e90 h LYS 1008N 0.76 -0.16 -0.31 1.46 1.63 -0.01 -1.98 116.57 117.97 1e90 h LYS 1008Ca 0.11 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.96 1e90 h LYS 1008Cb 0.72 0.04 -0.06 0.00 -0.60 0.00 0.00 32.23 32.33 1e90 h LYS 1008CO 0.06 0.02 -0.41 0.35 -3.45 0.00 0.00 179.45 176.02 1e90 h PHE 1009N -0.31 -1.25 -0.32 1.91 3.57 0.58 -1.53 116.94 119.60 1e90 h PHE 1009Ca -0.02 0.06 0.06 0.00 3.53 0.00 0.00 57.97 61.61 1e90 h PHE 1009Cb 0.25 0.58 -0.08 0.00 2.79 0.00 0.00 35.95 39.49 1e90 h PHE 1009CO -0.02 -0.36 -0.41 1.96 -2.23 0.00 0.00 178.31 177.25 1e90 h GLN 1010N -0.28 -0.36 -0.81 1.11 4.20 -1.10 -0.34 115.11 117.53 1e90 h GLN 1010Ca 0.05 0.02 0.13 0.00 0.06 0.00 0.00 58.65 58.92 1e90 h GLN 1010Cb 0.43 0.08 -0.06 0.00 0.30 0.00 0.00 27.48 28.23 1e90 h GLN 1010CO -0.44 -0.24 0.53 0.22 -0.67 0.00 0.00 178.83 178.23 1e90 h ASP 1011N -0.37 0.57 -0.16 1.46 3.58 -1.02 -0.80 116.42 119.67 1e90 h ASP 1011Ca 0.12 0.03 -0.04 0.00 0.42 0.00 0.00 57.03 57.56 1e90 h ASP 1011Cb 0.59 -0.09 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 1e90 h ASP 1011CO -0.51 0.31 -0.05 0.58 -2.88 0.00 0.00 179.24 176.68 1e90 h VAL 1012N 0.61 1.30 -0.26 2.25 2.07 -0.17 -1.55 116.25 120.50 1e90 h VAL 1012Ca 0.39 -1.05 0.06 0.00 0.82 0.00 0.00 66.70 66.92 1e90 h VAL 1012Cb 0.67 1.67 -0.06 0.00 -1.52 0.00 0.00 31.29 32.04 1e90 h VAL 1012CO -0.16 0.31 -0.12 0.00 0.02 0.00 0.00 177.57 177.63 1e90 h VAL 1014N -0.08 0.59 -0.70 0.00 2.07 -1.20 0.54 116.25 117.47 1e90 h VAL 1014Ca 0.14 0.00 0.11 0.00 0.82 0.00 0.00 66.70 67.77 1e90 h VAL 1014Cb 0.29 0.59 -0.08 0.00 -1.52 0.00 0.00 31.29 30.57 1e90 h VAL 1014CO -0.32 0.00 0.30 0.50 0.02 0.00 0.00 177.57 178.07 1e90 h LYS 1015N -0.38 0.47 -0.25 1.57 3.64 -0.74 0.38 116.57 121.26 1e90 h LYS 1015Ca 0.01 -0.03 -0.10 0.00 -1.27 0.00 0.00 60.65 59.26 1e90 h LYS 1015Cb 0.37 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1e90 h LYS 1015CO -0.06 0.31 -0.22 0.00 -2.27 0.00 0.00 179.45 177.21 1e90 h ALA 1016N 1.47 0.36 0.06 5.00 0.00 -0.41 -1.50 119.26 124.24 1e90 h ALA 1016Ca 0.36 -0.36 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1e90 h ALA 1016Cb 0.46 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1e90 h ALA 1016CO -0.33 0.32 -0.05 -0.92 0.00 0.00 0.00 179.25 178.26 1e90 h TYR 1017N 0.30 -0.14 -0.53 0.00 3.20 0.11 -2.16 116.97 117.76 1e90 h TYR 1017Ca 0.04 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.88 1e90 h TYR 1017Cb 0.77 0.05 -0.03 0.00 1.54 0.00 0.00 36.73 39.06 1e90 h TYR 1017CO 0.07 -0.08 0.19 -0.07 -1.64 0.00 0.00 178.16 176.62 1e90 h LEU 1018N -0.12 0.70 -0.40 2.82 3.38 -0.33 -2.73 115.31 118.62 1e90 h LEU 1018Ca 0.00 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1e90 h LEU 1018Cb 0.12 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 1e90 h LEU 1018CO -0.01 0.65 0.17 0.00 0.09 0.00 0.00 178.44 179.34 1e90 h ALA 1019N 1.45 0.49 -0.66 1.53 0.00 -0.75 -2.42 119.26 118.89 1e90 h ALA 1019Ca 0.18 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.05 1e90 h ALA 1019Cb 0.19 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 1e90 h ALA 1019CO -0.01 -0.21 0.15 -0.07 0.00 0.00 0.00 179.25 179.11 1e90 h LEU 1020N 0.35 1.00 -2.03 0.00 3.38 -1.14 -2.69 115.31 114.18 1e90 h LEU 1020Ca 0.18 -0.21 0.13 0.00 0.09 0.00 0.00 57.88 58.07 1e90 h LEU 1020Cb 0.13 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 1e90 h LEU 1020CO -0.16 0.97 0.34 0.03 0.09 0.00 0.00 178.44 179.71 1e90 h ARG 1021N 1.00 0.00 0.00 1.13 3.08 -1.15 0.65 114.38 119.09 1e90 h ARG 1021Ca 0.21 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.26 1e90 h ARG 1021Cb 0.37 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.42 1e90 h ARG 1021CO 0.00 0.00 0.00 0.45 -1.07 0.00 0.00 179.97 179.35 1e90 h HIS 1022N 0.00 0.00 -0.07 3.04 3.86 -1.34 -2.02 115.15 118.62 1e90 h HIS 1022Ca 0.21 0.00 -0.03 0.00 -1.16 0.00 0.00 60.37 59.38 1e90 h HIS 1022Cb 0.88 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.33 1e90 h HIS 1022CO 0.00 0.00 -0.29 0.72 0.86 0.00 0.00 177.93 179.22 1e90 n HIS 1023N -2.60 0.23 -0.23 2.45 8.25 0.22 -4.84 115.22 118.71 1e90 n HIS 1023Ca 0.01 -1.38 -0.06 0.00 -0.26 0.00 0.00 57.72 56.03 1e90 n HIS 1023Cb 0.22 -0.27 -0.01 0.00 1.12 0.00 0.00 29.99 31.05 1e90 n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 1e90 h THR 1024N 0.81 0.12 -0.94 1.59 2.02 -1.02 -0.76 112.91 114.73 1e90 h THR 1024Ca 0.04 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.36 1e90 h THR 1024Cb 1.14 0.12 -0.08 0.00 -1.74 0.00 0.00 68.15 67.59 1e90 h THR 1024CO 0.08 0.00 0.60 0.78 0.37 0.00 0.00 175.52 177.34 1e90 h ASN 1025N -0.16 0.73 0.35 4.18 4.21 -1.88 -0.09 115.58 122.92 1e90 h ASN 1025Ca 0.23 0.05 -0.02 0.00 1.21 0.00 0.00 56.30 57.77 1e90 h ASN 1025Cb 0.56 -0.09 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 1e90 h ASN 1025CO -0.72 0.36 -0.17 0.25 -1.29 0.00 0.00 177.43 175.86 1e90 h LEU 1026N 0.77 -0.40 -1.51 1.61 6.46 -1.48 -2.73 115.31 118.02 1e90 h LEU 1026Ca 0.48 -0.12 0.02 0.00 -0.12 0.00 0.00 57.88 58.14 1e90 h LEU 1026Cb 0.70 0.10 -0.03 0.00 -0.73 0.00 0.00 40.66 40.71 1e90 h LEU 1026CO -0.24 -0.10 0.36 -0.07 -0.62 0.00 0.00 178.44 177.76 1e90 h LEU 1027N -0.71 0.56 -0.52 2.25 4.07 -1.05 -1.83 115.31 118.07 1e90 h LEU 1027Ca -0.05 -0.01 -0.03 0.00 0.08 0.00 0.00 57.88 57.88 1e90 h LEU 1027Cb 0.49 -0.13 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1e90 h LEU 1027CO 0.08 0.39 0.23 0.40 -1.08 0.00 0.00 178.44 178.46 1e90 h ILE 1028N 0.65 1.21 -0.09 1.22 1.08 -0.93 -1.50 117.51 119.15 1e90 h ILE 1028Ca 0.21 -0.62 -0.19 0.00 -0.39 0.00 0.00 64.86 63.87 1e90 h ILE 1028Cb 0.04 0.65 0.01 0.00 -3.07 0.00 0.00 36.82 34.44 1e90 h ILE 1028CO -0.05 0.24 -0.69 -0.29 -0.69 0.00 0.00 178.15 176.67 1e90 h ILE 1029N 0.70 1.33 -0.39 -0.67 6.09 -1.15 -2.66 117.51 120.77 1e90 h ILE 1029Ca 0.18 -1.98 -0.01 0.00 -1.37 0.00 0.00 64.86 61.68 1e90 h ILE 1029Cb 0.16 2.22 -0.02 0.00 0.47 0.00 0.00 36.82 39.65 1e90 h ILE 1029CO -0.02 0.60 0.19 -0.07 -3.07 0.00 0.00 178.15 175.79 1e90 h LEU 1030N 0.26 0.50 -0.77 2.19 3.38 -1.34 -0.49 115.31 119.05 1e90 h LEU 1030Ca -0.06 -0.12 0.05 0.00 0.09 0.00 0.00 57.88 57.84 1e90 h LEU 1030Cb 1.34 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 41.91 1e90 h LEU 1030CO 0.14 0.48 0.47 0.15 0.09 0.00 0.00 178.44 179.77 1e90 h PHE 1031N 0.49 0.87 -0.31 1.13 3.57 -1.33 -0.41 116.94 120.95 1e90 h PHE 1031Ca 0.13 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.57 1e90 h PHE 1031Cb 0.11 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.56 1e90 h PHE 1031CO -0.02 0.46 -0.16 0.66 -2.23 0.00 0.00 178.31 177.02 1e90 h SER 1032N 0.88 0.68 -0.78 0.41 4.64 -1.08 -2.32 113.55 115.98 1e90 h SER 1032Ca 0.33 -0.41 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 1e90 h SER 1032Cb 0.12 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 61.98 1e90 h SER 1032CO -0.15 0.94 0.30 0.24 -0.87 0.00 0.00 176.83 177.29 1e90 h MET 1033N 0.41 1.17 -0.39 4.77 2.86 -0.80 -2.23 114.93 120.73 1e90 h MET 1033Ca 0.07 -0.22 0.03 0.00 -2.06 0.00 0.00 59.70 57.52 1e90 h MET 1033Cb 0.69 -0.19 -0.03 0.00 0.06 0.00 0.00 31.60 32.13 1e90 h MET 1033CO 0.05 0.96 0.20 1.98 1.06 0.00 0.00 176.91 181.15 1e90 h MET 1034N 1.14 0.39 0.00 1.72 -1.53 -0.97 0.16 114.93 115.84 1e90 h MET 1034Ca 0.26 -0.02 -0.05 0.00 -3.44 0.00 0.00 59.70 56.44 1e90 h MET 1034Cb 0.23 -0.09 -0.01 0.00 -0.55 0.00 0.00 31.60 31.19 1e90 h MET 1034CO -0.02 0.26 -0.26 -0.07 0.14 0.00 0.00 176.91 176.96 1e90 h LEU 1035N 0.40 0.00 0.07 3.39 3.38 -1.16 0.62 115.31 122.01 1e90 h LEU 1035Ca 0.16 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.87 1e90 h LEU 1035Cb 0.07 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1e90 h LEU 1035CO -0.11 0.26 -1.28 0.24 0.09 0.00 0.00 178.44 177.64 1e90 h MET 1036N 0.00 0.15 -0.01 1.13 2.86 -0.76 -3.24 114.93 115.06 1e90 h MET 1036Ca -0.00 -0.26 0.00 0.00 -2.06 0.00 0.00 59.70 57.37 1e90 h MET 1036Cb 0.57 0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.32 1e90 h MET 1036CO 0.03 1.06 -0.08 0.25 1.06 0.00 0.00 176.91 179.23 1e90 n THR 1037N -3.41 0.00 -0.23 2.22 -2.24 -0.03 -0.87 114.28 109.73 1e90 n THR 1037Ca -0.08 -0.46 0.00 0.00 -2.27 0.00 0.00 64.05 61.24 1e90 n THR 1037Cb 1.00 1.17 0.00 0.00 -2.10 0.00 0.00 70.33 70.41 1e90 n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1e90 n GLY 1038N 0.70 -0.52 3.12 3.38 0.00 0.21 -4.99 105.19 107.10 1e90 n GLY 1038Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1e90 n GLY 1038CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1e90 s MET 1039N -0.12 2.39 0.26 1.61 1.00 -1.22 -4.71 119.30 118.50 1e90 s MET 1039Ca 0.00 -1.27 -0.06 0.00 0.00 0.00 0.00 55.69 54.35 1e90 s MET 1039Cb 0.00 -3.00 0.44 0.00 0.00 0.00 0.00 34.83 32.26 1e90 s MET 1039CO 0.00 -0.57 1.41 -2.30 0.00 0.00 0.00 175.02 173.57 1e90 n PRO 1040N 4.53 -0.08 -1.23 2.03 -0.02 -1.26 -4.51 135.00 134.47 1e90 n PRO 1040Ca -0.14 1.41 -0.30 0.00 -2.02 0.00 0.00 63.50 62.45 1e90 n PRO 1040Cb 0.43 -2.11 0.23 0.00 -0.02 0.00 0.00 33.50 32.02 1e90 n PRO 1040CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 1e90 s GLN 1041N -6.12 -0.82 -0.28 -0.52 0.00 -1.26 -5.01 119.66 105.66 1e90 s GLN 1041Ca -0.13 -0.09 -0.16 0.00 -0.00 0.00 0.00 55.36 54.98 1e90 s GLN 1041Cb 0.25 -1.65 -0.03 0.00 0.00 0.00 0.00 33.01 31.58 1e90 s GLN 1041CO 0.71 -3.44 0.42 -0.51 0.00 0.00 0.00 175.29 172.46 1e90 s LEU 1042N -6.74 4.10 0.69 2.60 1.43 -1.26 -4.85 118.68 114.65 1e90 s LEU 1042Ca 0.71 0.28 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 1e90 s LEU 1042Cb -0.09 -2.49 0.01 0.00 0.03 0.00 0.00 46.19 43.65 1e90 s LEU 1042CO 0.56 -0.25 1.07 0.42 0.23 0.00 0.00 176.35 178.38 1e90 s THR 1043N 2.15 3.48 0.31 5.49 -4.23 -1.23 -4.98 115.64 116.63 1e90 s THR 1043Ca 0.17 0.39 0.04 0.00 -1.18 0.00 0.00 61.69 61.11 1e90 s THR 1043Cb -0.16 -3.46 -0.03 0.00 1.34 0.00 0.00 72.50 70.19 1e90 s THR 1043CO 0.10 -0.59 0.19 -0.94 -0.54 0.00 0.00 174.62 172.85 1e90 s SER 1044N -4.36 1.58 0.13 3.99 1.04 -1.26 -4.55 113.70 110.27 1e90 s SER 1044Ca 0.58 -1.62 -0.21 0.00 0.48 0.00 0.00 55.95 55.18 1e90 s SER 1044Cb -0.11 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.44 1e90 s SER 1044CO 0.51 -0.94 1.69 0.11 0.98 0.00 0.00 173.24 175.58 1e90 h LYS 1045N 2.18 -0.06 -0.85 4.02 6.56 -1.99 -2.30 116.57 124.14 1e90 h LYS 1045Ca -0.31 0.00 0.21 0.00 -1.06 0.00 0.00 60.65 59.49 1e90 h LYS 1045Cb 1.25 0.01 -0.15 0.00 -0.57 0.00 0.00 32.23 32.77 1e90 h LYS 1045CO 0.48 -0.04 0.00 0.93 -2.06 0.00 0.00 179.45 178.76 1e90 h GLU 1046N -0.06 0.07 -0.04 3.15 3.07 -1.99 0.11 114.58 118.90 1e90 h GLU 1046Ca 0.10 -0.00 0.01 0.00 -0.50 0.00 0.00 59.36 58.97 1e90 h GLU 1046Cb 0.20 -0.02 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 1e90 h GLU 1046CO -0.22 0.05 -0.04 -0.44 -1.40 0.00 0.00 179.01 176.96 1e90 h ASP 1047N 0.07 -0.12 -0.00 1.42 3.32 -1.83 -3.06 116.42 116.22 1e90 h ASP 1047Ca 0.48 0.03 0.01 0.00 0.02 0.00 0.00 57.03 57.57 1e90 h ASP 1047Cb 0.89 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.48 1e90 h ASP 1047CO -0.77 -0.06 -0.06 0.40 -1.72 0.00 0.00 179.24 177.03 1e90 h ILE 1048N -0.06 0.84 -0.09 0.35 1.08 -0.64 -2.92 117.51 116.07 1e90 h ILE 1048Ca 0.03 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.53 1e90 h ILE 1048Cb 0.10 0.84 -0.00 0.00 -3.07 0.00 0.00 36.82 34.68 1e90 h ILE 1048CO -0.07 0.00 0.27 -0.33 -0.69 0.00 0.00 178.15 177.33 1e90 h GLU 1049N -0.11 0.00 0.01 2.37 5.08 -0.99 -2.87 114.58 118.07 1e90 h GLU 1049Ca 0.03 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.42 1e90 h GLU 1049Cb 0.14 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.35 1e90 h GLU 1049CO -0.07 0.00 -0.29 -0.92 -1.00 0.00 0.00 179.01 176.73 1e90 h TYR 1050N 0.00 -0.79 -0.93 4.33 3.20 -1.46 -1.13 116.97 120.20 1e90 h TYR 1050Ca 0.04 0.02 0.19 0.00 3.14 0.00 0.00 58.73 62.13 1e90 h TYR 1050Cb 0.59 0.35 -0.08 0.00 1.54 0.00 0.00 36.73 39.13 1e90 h TYR 1050CO 0.00 -0.38 0.60 0.97 -1.64 0.00 0.00 178.16 177.71 1e90 h ILE 1051N -0.44 0.70 -0.31 1.81 2.10 -1.71 0.07 117.51 119.73 1e90 h ILE 1051Ca 0.06 -0.18 -0.01 0.00 1.08 0.00 0.00 64.86 65.81 1e90 h ILE 1051Cb 0.52 0.13 -0.01 0.00 -1.09 0.00 0.00 36.82 36.37 1e90 h ILE 1051CO -0.24 0.10 0.16 -0.09 -1.08 0.00 0.00 178.15 177.00 1e90 h ARG 1052N 0.53 0.43 -0.27 2.19 2.43 -1.36 -1.82 114.38 116.51 1e90 h ARG 1052Ca 0.49 -0.05 -0.02 0.00 -0.81 0.00 0.00 59.98 59.59 1e90 h ARG 1052Cb 1.06 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.51 1e90 h ARG 1052CO -0.23 0.38 0.09 -0.44 -1.51 0.00 0.00 179.97 178.26 1e90 h ASP 1053N 0.37 0.38 -0.96 -3.80 3.32 -0.42 -2.31 116.42 113.01 1e90 h ASP 1053Ca 0.11 -0.19 0.15 0.00 0.02 0.00 0.00 57.03 57.12 1e90 h ASP 1053Cb 0.08 -0.10 -0.09 0.00 0.22 0.00 0.00 39.33 39.43 1e90 h ASP 1053CO -0.02 0.46 0.57 0.00 -1.72 0.00 0.00 179.24 178.54 1e90 h ALA 1054N 0.93 1.50 -0.00 3.45 0.00 -0.98 0.40 119.26 124.56 1e90 h ALA 1054Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1e90 h ALA 1054Cb 0.21 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1e90 h ALA 1054CO -0.00 0.05 -0.03 1.28 0.00 0.00 0.00 179.25 180.55 1e90 n LEU 1055N -4.73 0.20 -3.74 0.00 4.77 -0.70 -4.93 117.00 107.86 1e90 n LEU 1055Ca 0.20 0.07 -0.27 0.00 -0.03 0.00 0.00 56.01 55.98 1e90 n LEU 1055Cb 0.45 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1e90 n LEU 1055CO 0.24 0.04 -0.11 0.35 -1.33 0.00 0.00 177.39 176.57 1e90 n THR 1056N -1.02 -4.94 -1.83 -5.08 -2.24 0.14 -4.89 114.28 94.42 1e90 n THR 1056Ca 0.18 -0.75 -0.40 0.00 -2.27 0.00 0.00 64.05 60.81 1e90 n THR 1056Cb 0.21 -3.87 0.01 0.00 -2.10 0.00 0.00 70.33 64.58 1e90 n THR 1056CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 1e90 s VAL 1057N -3.65 2.14 0.00 2.28 1.01 -1.09 -2.26 120.40 118.84 1e90 s VAL 1057Ca 0.23 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.34 1e90 s VAL 1057Cb -0.08 -3.07 0.00 0.00 0.00 0.00 0.00 36.38 33.23 1e90 s VAL 1057CO 0.85 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.58 1e90 n GLY 1058N 0.57 2.91 3.73 4.51 0.00 -1.26 -5.03 105.19 110.62 1e90 n GLY 1058Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1e90 n GLY 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1e90 s LYS 1059N -0.11 0.77 0.36 1.61 3.01 -0.96 -5.06 119.74 119.37 1e90 s LYS 1059Ca 0.00 0.41 0.01 0.00 -1.01 0.00 0.00 55.97 55.38 1e90 s LYS 1059Cb 0.00 -1.79 -0.03 0.00 -1.01 0.00 0.00 37.83 35.01 1e90 s LYS 1059CO 0.00 -2.48 0.56 -1.54 0.51 0.00 0.00 175.35 172.41 1e90 s SER 1060N -3.72 6.19 0.24 2.83 1.04 -1.26 -4.94 113.70 114.09 1e90 s SER 1060Ca 0.65 0.38 -0.05 0.00 0.48 0.00 0.00 55.95 57.41 1e90 s SER 1060Cb -0.17 -1.89 0.38 0.00 0.10 0.00 0.00 66.02 64.44 1e90 s SER 1060CO 0.56 -0.37 1.82 -0.33 0.98 0.00 0.00 173.24 175.90 1e90 h GLU 1061N 0.70 0.82 0.15 4.02 5.08 -1.98 -0.42 114.58 122.96 1e90 h GLU 1061Ca -0.49 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 57.82 1e90 h GLU 1061Cb 1.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 1e90 h GLU 1061CO 0.60 0.55 -0.14 0.93 -1.00 0.00 0.00 179.01 179.94 1e90 h GLU 1062N 0.85 -0.28 -0.90 2.33 4.39 -1.99 0.79 114.58 119.77 1e90 h GLU 1062Ca 0.39 0.02 0.25 0.00 0.34 0.00 0.00 59.36 60.36 1e90 h GLU 1062Cb 0.31 0.06 -0.15 0.00 -0.10 0.00 0.00 28.75 28.87 1e90 h GLU 1062CO -0.22 -0.19 0.18 0.22 -1.16 0.00 0.00 179.01 177.84 1e90 h ASP 1063N -0.29 -0.13 0.65 1.42 1.82 -1.91 0.32 116.42 118.29 1e90 h ASP 1063Ca -0.02 0.22 -0.03 0.00 -0.39 0.00 0.00 57.03 56.81 1e90 h ASP 1063Cb 0.25 0.33 0.00 0.00 0.68 0.00 0.00 39.33 40.59 1e90 h ASP 1063CO -0.01 -0.23 -0.37 0.00 -1.61 0.00 0.00 179.24 177.02 1e90 h ALA 1064N 1.84 -1.21 -0.96 -0.78 0.00 -0.50 1.00 119.26 118.65 1e90 h ALA 1064Ca 0.57 -0.20 0.23 0.00 0.00 0.00 0.00 54.91 55.51 1e90 h ALA 1064Cb 1.17 0.47 -0.18 0.00 0.00 0.00 0.00 17.79 19.25 1e90 h ALA 1064CO -0.73 -1.17 -0.10 1.17 0.00 0.00 0.00 179.25 178.42 1e90 n LYS 1065N -4.76 -0.08 0.13 0.00 4.81 0.27 -0.29 118.16 118.23 1e90 n LYS 1065Ca -0.12 1.46 -0.13 0.00 -0.87 0.00 0.00 58.31 58.65 1e90 n LYS 1065Cb 0.39 -2.25 -0.08 0.00 0.02 0.00 0.00 35.03 33.11 1e90 n LYS 1065CO 0.00 0.00 0.00 0.87 1.17 0.00 0.00 177.40 179.44 1e90 h LYS 1066N 0.00 -0.31 -1.30 1.64 1.57 -0.94 -2.88 116.57 114.36 1e90 h LYS 1066Ca 0.52 0.02 0.41 0.00 -1.87 0.00 0.00 60.65 59.73 1e90 h LYS 1066Cb 0.96 0.07 -0.12 0.00 0.08 0.00 0.00 32.23 33.22 1e90 h LYS 1066CO -0.94 -0.02 0.85 -0.92 -0.57 0.00 0.00 179.45 177.85 1e90 h TYR 1067N -0.58 0.50 0.18 -1.35 5.03 0.20 0.47 116.97 121.42 1e90 h TYR 1067Ca -0.03 0.02 -0.30 0.00 2.58 0.00 0.00 58.73 61.00 1e90 h TYR 1067Cb 0.42 -0.13 0.02 0.00 1.55 0.00 0.00 36.73 38.59 1e90 h TYR 1067CO 0.01 -0.15 -1.36 0.35 -1.32 0.00 0.00 178.16 175.69 1e90 h PHE 1068N 0.13 0.67 0.00 -3.82 3.57 -1.35 -3.06 116.94 113.08 1e90 h PHE 1068Ca 0.78 -0.49 -0.02 0.00 3.53 0.00 0.00 57.97 61.77 1e90 h PHE 1068Cb 2.44 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 41.15 1e90 h PHE 1068CO -0.00 1.40 -0.08 -0.07 -2.23 0.00 0.00 178.31 177.33 1e90 h LEU 1069N 0.10 0.00 0.14 0.59 3.38 0.10 -1.58 115.31 118.05 1e90 h LEU 1069Ca -0.19 0.00 -0.29 0.00 0.09 0.00 0.00 57.88 57.49 1e90 h LEU 1069Cb 2.05 0.00 0.02 0.00 0.09 0.00 0.00 40.66 42.82 1e90 h LEU 1069CO 0.23 0.08 -1.29 0.44 0.09 0.00 0.00 178.44 177.98 1e90 h ASP 1070N 0.00 0.58 -0.86 -0.43 3.45 -1.21 -2.93 116.42 115.02 1e90 h ASP 1070Ca -0.00 -0.60 -0.03 0.00 0.43 0.00 0.00 57.03 56.83 1e90 h ASP 1070Cb 0.33 -0.19 -0.04 0.00 -0.56 0.00 0.00 39.33 38.87 1e90 h ASP 1070CO 0.01 1.46 0.43 1.56 -1.57 0.00 0.00 179.24 181.13 1e90 h GLN 1071N 0.12 1.24 -0.18 3.56 1.08 -1.22 -0.72 115.11 118.98 1e90 h GLN 1071Ca -0.17 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 56.83 1e90 h GLN 1071Cb 2.00 -0.23 -0.01 0.00 -0.05 0.00 0.00 27.48 29.19 1e90 h GLN 1071CO 0.22 0.94 -0.03 0.82 -0.95 0.00 0.00 178.83 179.83 1e90 h ILE 1072N 1.23 1.14 -0.09 2.54 2.04 -1.33 -2.85 117.51 120.19 1e90 h ILE 1072Ca 0.30 -0.55 -0.02 0.00 1.00 0.00 0.00 64.86 65.59 1e90 h ILE 1072Cb 0.10 1.04 -0.00 0.00 -0.74 0.00 0.00 36.82 37.21 1e90 h ILE 1072CO -0.04 0.18 -0.03 -0.08 0.00 0.00 0.00 178.15 178.18 1e90 h GLU 1073N 0.26 0.17 -0.89 2.37 4.57 -0.96 -3.05 114.58 117.05 1e90 h GLU 1073Ca 0.06 -0.07 0.23 0.00 -1.18 0.00 0.00 59.36 58.40 1e90 h GLU 1073Cb 0.23 -0.01 -0.13 0.00 -0.16 0.00 0.00 28.75 28.68 1e90 h GLU 1073CO 0.01 0.51 0.36 0.28 -1.18 0.00 0.00 179.01 178.99 1e90 h VAL 1074N -0.18 0.42 -0.77 0.32 2.07 -1.14 0.52 116.25 117.50 1e90 h VAL 1074Ca 0.02 -0.12 0.03 0.00 0.82 0.00 0.00 66.70 67.46 1e90 h VAL 1074Cb 0.45 0.05 -0.04 0.00 -1.52 0.00 0.00 31.29 30.23 1e90 h VAL 1074CO 0.01 0.06 0.50 0.00 0.02 0.00 0.00 177.57 178.17 1e90 h ARG 1076N 0.95 0.23 -0.00 0.00 3.08 0.01 -2.44 114.38 116.20 1e90 h ARG 1076Ca 0.30 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1e90 h ARG 1076Cb 0.04 0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1e90 h ARG 1076CO -0.09 0.83 -0.15 -0.25 -1.07 0.00 0.00 179.97 179.24 1e90 n ASP 1077N -3.80 0.16 -0.01 7.04 8.00 -0.41 -3.64 116.55 123.90 1e90 n ASP 1077Ca -0.03 0.24 0.10 0.00 0.71 0.00 0.00 54.79 55.81 1e90 n ASP 1077Cb 0.68 -0.26 -0.15 0.00 -0.02 0.00 0.00 41.12 41.37 1e90 n ASP 1077CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1e90 n LYS 1078N -1.48 0.60 0.00 -1.24 4.01 0.01 -5.04 118.16 115.02 1e90 n LYS 1078Ca 0.07 -0.15 0.00 0.00 -0.51 0.00 0.00 58.31 57.71 1e90 n LYS 1078Cb 0.34 -1.47 0.00 0.00 -0.51 0.00 0.00 35.03 33.39 1e90 n LYS 1078CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1e90 n GLY 1079N 1.38 2.67 0.49 0.72 0.00 -0.93 -0.45 105.19 109.05 1e90 n GLY 1079Ca -0.02 0.02 0.10 0.00 0.00 0.00 0.00 46.02 46.11 1e90 n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1e90 n TRP 1080N 14.00 0.20 -0.01 1.61 7.02 -1.26 -4.52 117.44 134.48 1e90 n TRP 1080Ca 0.00 -0.10 -0.01 0.00 -1.02 0.00 0.00 57.50 56.37 1e90 n TRP 1080Cb 0.00 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 28.88 1e90 n TRP 1080CO 0.00 0.00 0.00 1.15 -2.02 0.00 0.00 177.69 176.82 1e90 h THR 1081N 1.91 0.00 -0.33 -0.99 2.02 -1.17 -0.43 112.91 113.93 1e90 h THR 1081Ca 0.00 0.00 0.07 0.00 0.77 0.00 0.00 66.41 67.25 1e90 h THR 1081Cb 0.42 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.75 1e90 h THR 1081CO 0.00 0.00 -0.28 0.58 0.37 0.00 0.00 175.52 176.19 1e90 h VAL 1082N -0.02 0.31 -0.45 3.16 2.07 -1.79 -1.99 116.25 117.53 1e90 h VAL 1082Ca 0.00 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.61 1e90 h VAL 1082Cb 0.03 0.31 -0.08 0.00 -1.52 0.00 0.00 31.29 30.03 1e90 h VAL 1082CO -0.04 0.00 -0.08 1.56 0.02 0.00 0.00 177.57 179.03 1e90 h GLN 1083N -0.25 0.03 -0.81 1.57 1.08 -1.80 0.99 115.11 115.91 1e90 h GLN 1083Ca 0.16 -0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.45 1e90 h GLN 1083Cb 0.50 -0.01 -0.06 0.00 -0.05 0.00 0.00 27.48 27.87 1e90 h GLN 1083CO -0.47 0.02 0.53 0.35 -0.95 0.00 0.00 178.83 178.31 1e90 h PHE 1084N 0.03 0.81 -0.35 2.96 3.57 -0.50 0.31 116.94 123.76 1e90 h PHE 1084Ca 0.22 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.68 1e90 h PHE 1084Cb 0.33 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 38.80 1e90 h PHE 1084CO -0.36 0.38 -0.02 -0.91 -2.23 0.00 0.00 178.31 175.17 1e90 h ASN 1085N 0.75 0.63 -0.74 0.41 4.21 -0.20 -0.78 115.58 119.87 1e90 h ASN 1085Ca 0.37 -0.32 -0.02 0.00 1.21 0.00 0.00 56.30 57.55 1e90 h ASN 1085Cb 0.44 -0.17 -0.03 0.00 -1.12 0.00 0.00 38.32 37.44 1e90 h ASN 1085CO -0.15 0.80 0.40 -0.50 -1.29 0.00 0.00 177.43 176.69 1e90 h TRP 1086N 0.44 1.02 -0.55 1.19 4.06 0.12 0.22 115.95 122.44 1e90 h TRP 1086Ca 0.10 -0.03 -0.01 0.00 2.06 0.00 0.00 58.89 61.01 1e90 h TRP 1086Cb 0.48 -0.33 -0.03 0.00 -1.00 0.00 0.00 29.16 28.29 1e90 h TRP 1086CO 0.04 0.72 0.32 0.35 -3.56 0.00 0.00 178.44 176.31 1e90 h PHE 1087N 1.02 0.75 -0.63 0.49 3.04 -0.34 0.13 116.94 121.40 1e90 h PHE 1087Ca 0.26 -0.01 -0.08 0.00 3.98 0.00 0.00 57.97 62.12 1e90 h PHE 1087Cb 0.04 -0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 1e90 h PHE 1087CO -0.00 0.53 0.09 -0.07 -2.02 0.00 0.00 178.31 176.84 1e90 h LEU 1088N 0.75 0.99 0.14 0.59 3.38 -0.47 -1.45 115.31 119.23 1e90 h LEU 1088Ca 0.20 -0.23 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 1e90 h LEU 1088Cb 0.02 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.50 1e90 h LEU 1088CO -0.03 1.00 -0.07 -0.74 0.09 0.00 0.00 178.44 178.68 1e90 h HIS 1089N 0.97 -0.17 0.74 1.13 2.76 -0.23 -2.44 115.15 117.91 1e90 h HIS 1089Ca 0.19 -0.00 -0.04 0.00 -2.20 0.00 0.00 60.37 58.32 1e90 h HIS 1089Cb 0.43 0.06 0.01 0.00 1.55 0.00 0.00 27.41 29.46 1e90 h HIS 1089CO 0.03 -0.11 -0.35 -0.07 -1.30 0.00 0.00 177.93 176.13 1e90 h LEU 1090N -0.44 -0.84 -0.74 0.26 4.07 -0.87 -0.30 115.31 116.46 1e90 h LEU 1090Ca -0.02 0.01 -0.10 0.00 0.08 0.00 0.00 57.88 57.85 1e90 h LEU 1090Cb 0.14 0.22 -0.02 0.00 1.08 0.00 0.00 40.66 42.08 1e90 h LEU 1090CO 0.03 -0.49 -0.11 0.58 -1.08 0.00 0.00 178.44 177.36 1e90 h VAL 1091N -1.18 1.26 0.00 1.22 2.07 -1.39 -3.32 116.25 114.91 1e90 h VAL 1091Ca -0.10 -1.20 -0.09 0.00 0.82 0.00 0.00 66.70 66.12 1e90 h VAL 1091Cb 0.78 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.56 1e90 h VAL 1091CO 0.17 0.42 -1.93 0.18 0.02 0.00 0.00 177.57 176.42 1e90 n LEU 1092N -4.15 0.16 0.00 2.57 4.77 -1.06 -4.99 117.00 114.29 1e90 n LEU 1092Ca 0.01 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1e90 n LEU 1092Cb 0.38 0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.58 1e90 n LEU 1092CO 0.44 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.21 1e90 n GLY 1093N 1.37 0.62 0.00 -0.72 0.00 -0.12 -5.01 105.19 101.33 1e90 n GLY 1093Ca -0.10 -0.22 0.11 0.00 0.00 0.00 0.00 46.02 45.81 1e90 n GLY 1093CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71