#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3dbs s SER 144 N 0.00 -0.47 0.08 6.12 1.04 -1.26 -5.00 113.70 114.21 3dbs s SER 144 Ca 0.00 0.00 -0.30 0.00 0.48 0.00 0.00 55.95 56.13 3dbs s SER 144 Cb 0.00 0.54 -0.14 0.00 0.10 0.00 0.00 66.02 66.53 3dbs s SER 144 CO 0.00 -0.87 1.47 -0.33 0.98 0.00 0.00 173.24 174.49 3dbs h GLU 145 N 2.30 -0.72 0.00 4.02 5.08 -2.06 -2.46 114.58 120.74 3dbs h GLU 145 Ca -0.33 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.08 3dbs h GLU 145 Cb 1.27 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.68 3dbs h GLU 145 CO 0.41 -0.48 0.00 0.93 -1.00 0.00 0.00 179.01 178.87 3dbs h GLU 146 N -0.75 0.00 0.00 2.33 4.39 -1.99 -3.20 114.58 115.36 3dbs h GLU 146 Ca -0.03 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.60 3dbs h GLU 146 Cb 0.69 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.34 3dbs h GLU 146 CO -0.15 0.00 -0.31 1.03 -1.16 0.00 0.00 179.01 178.43 3dbs h SER 147 N 0.00 0.00 0.85 1.42 0.87 -1.84 -2.56 113.55 112.28 3dbs h SER 147 Ca 0.00 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.40 3dbs h SER 147 Cb 0.62 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 62.55 3dbs h SER 147 CO 0.00 0.31 -1.24 1.56 -0.53 0.00 0.00 176.83 176.92 3dbs h GLN 148 N 0.00 0.00 0.00 2.24 4.20 -1.45 -3.25 115.11 116.84 3dbs h GLN 148 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3dbs h GLN 148 Cb 0.66 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.44 3dbs h GLN 148 CO 0.04 0.34 0.00 0.00 -0.67 0.00 0.00 178.83 178.54 3dbs h ALA 149 N 1.43 1.00 -0.21 3.87 0.00 -1.53 -2.62 119.26 121.20 3dbs h ALA 149 Ca -0.13 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.64 3dbs h ALA 149 Cb 1.55 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 3dbs h ALA 149 CO 0.05 0.00 -0.43 0.35 0.00 0.00 0.00 179.25 179.22 3dbs h PHE 150 N 0.00 0.83 0.00 0.00 3.57 -1.50 -3.10 116.94 116.74 3dbs h PHE 150 Ca 0.00 -0.30 -0.06 0.00 3.53 0.00 0.00 57.97 61.14 3dbs h PHE 150 Cb 0.35 -0.15 -0.01 0.00 2.79 0.00 0.00 35.95 38.93 3dbs h PHE 150 CO 0.00 1.07 -0.28 0.37 -2.23 0.00 0.00 178.31 177.24 3dbs h GLN 151 N 0.35 0.00 0.00 1.11 5.75 -1.57 -1.70 115.11 119.06 3dbs h GLN 151 Ca 0.01 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.51 3dbs h GLN 151 Cb 1.03 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.58 3dbs h GLN 151 CO 0.10 0.28 -0.20 0.07 -2.65 0.00 0.00 178.83 176.43 3dbs h ARG 152 N 0.00 0.00 -0.15 1.69 0.11 -1.54 -1.50 114.38 112.99 3dbs h ARG 152 Ca -0.00 0.00 -0.18 0.00 0.10 0.00 0.00 59.98 59.90 3dbs h ARG 152 Cb 0.80 0.00 0.01 0.00 1.11 0.00 0.00 29.97 31.89 3dbs h ARG 152 CO 0.04 0.00 -0.61 0.37 0.10 0.00 0.00 179.97 179.87 3dbs h GLN 153 N 0.00 0.67 -0.88 0.08 4.15 -1.40 -3.12 115.11 114.61 3dbs h GLN 153 Ca 0.00 -0.53 -0.00 0.00 0.77 0.00 0.00 58.65 58.89 3dbs h GLN 153 Cb 0.99 0.10 -0.04 0.00 0.21 0.00 0.00 27.48 28.74 3dbs h GLN 153 CO 0.00 1.15 0.54 -0.07 -1.93 0.00 0.00 178.83 178.52 3dbs h LEU 154 N 0.35 1.06 -1.20 -2.39 3.38 -1.06 -2.49 115.31 112.96 3dbs h LEU 154 Ca -0.03 -0.06 -0.08 0.00 0.09 0.00 0.00 57.88 57.80 3dbs h LEU 154 Cb 1.24 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3dbs h LEU 154 CO 0.13 0.81 -0.37 0.74 0.09 0.00 0.00 178.44 179.83 3dbs h THR 155 N 1.21 1.08 -0.13 0.22 2.02 -1.37 -2.01 112.91 113.94 3dbs h THR 155 Ca 0.32 -1.35 -0.19 0.00 0.77 0.00 0.00 66.41 65.96 3dbs h THR 155 Cb -0.06 1.76 -0.00 0.00 -1.74 0.00 0.00 68.15 68.11 3dbs h THR 155 CO -0.06 0.36 -0.71 0.00 0.37 0.00 0.00 175.52 175.49 3dbs h ALA 156 N 1.63 0.52 0.05 6.16 0.00 -1.39 -1.01 119.26 125.22 3dbs h ALA 156 Ca -0.00 -0.58 -0.23 0.00 0.00 0.00 0.00 54.91 54.09 3dbs h ALA 156 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.46 3dbs h ALA 156 CO 0.05 0.72 -1.09 -0.07 0.00 0.00 0.00 179.25 178.86 3dbs h LEU 157 N 0.40 0.16 -0.00 0.00 3.38 -1.33 -3.31 115.31 114.61 3dbs h LEU 157 Ca -0.03 -0.17 -0.27 0.00 0.09 0.00 0.00 57.88 57.51 3dbs h LEU 157 Cb 1.29 -0.05 0.02 0.00 0.09 0.00 0.00 40.66 42.01 3dbs h LEU 157 CO 0.13 1.13 -1.06 0.40 0.09 0.00 0.00 178.44 179.13 3dbs h ILE 158 N 0.03 1.29 -0.62 1.22 2.04 -1.40 -3.48 117.51 116.58 3dbs h ILE 158 Ca -0.05 -2.30 -0.10 0.00 1.00 0.00 0.00 64.86 63.41 3dbs h ILE 158 Cb 1.84 2.42 -0.01 0.00 -0.74 0.00 0.00 36.82 40.33 3dbs h ILE 158 CO 0.16 0.71 -0.12 0.61 0.00 0.00 0.00 178.15 179.50 3dbs n GLY 159 N 1.11 0.29 3.58 5.37 0.00 -0.39 -4.80 105.19 110.35 3dbs n GLY 159 Ca -0.11 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 3dbs n GLY 159 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3dbs s TYR 160 N -2.24 -0.52 -0.51 1.61 5.04 -1.17 -4.86 117.35 114.71 3dbs s TYR 160 Ca 0.00 1.02 -0.18 0.00 -2.44 0.00 0.00 57.07 55.48 3dbs s TYR 160 Cb 0.00 0.40 0.07 0.00 0.35 0.00 0.00 41.96 42.78 3dbs s TYR 160 CO 0.00 -0.39 0.54 0.34 -1.34 0.00 0.00 175.55 174.70 3dbs s ASP 161 N -0.68 6.19 0.00 4.32 2.15 -1.26 -4.59 116.67 122.79 3dbs s ASP 161 Ca -0.03 -1.18 0.27 0.00 0.43 0.00 0.00 52.55 52.04 3dbs s ASP 161 Cb -0.02 -2.25 1.22 0.00 -0.30 0.00 0.00 42.92 41.58 3dbs s ASP 161 CO 0.02 -0.83 1.88 1.33 -0.17 0.00 0.00 175.17 177.40 3dbs n VAL 162 N 5.44 0.16 0.76 1.11 0.24 -1.26 -2.76 118.33 122.01 3dbs n VAL 162 Ca -0.09 0.04 0.12 0.00 -2.04 0.00 0.00 64.34 62.37 3dbs n VAL 162 Cb 0.44 -0.59 0.23 0.00 -1.47 0.00 0.00 33.84 32.45 3dbs n VAL 162 CO 0.00 0.00 0.00 0.35 -2.14 0.00 0.00 176.83 175.04 3dbs n THR 163 N -1.42 0.20 -2.09 3.34 -2.24 -1.26 -4.87 114.28 105.94 3dbs n THR 163 Ca 0.09 -0.15 -0.39 0.00 -2.27 0.00 0.00 64.05 61.32 3dbs n THR 163 Cb 0.27 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.48 3dbs n THR 163 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3dbs s ASP 164 N -3.69 6.32 -0.04 3.42 2.15 -1.11 -4.95 116.67 118.77 3dbs s ASP 164 Ca 0.08 2.60 0.14 0.00 0.43 0.00 0.00 52.55 55.81 3dbs s ASP 164 Cb 0.15 -2.63 0.26 0.00 -0.30 0.00 0.00 42.92 40.40 3dbs s ASP 164 CO 0.70 -0.84 1.11 1.33 -0.17 0.00 0.00 175.17 177.31 3dbs n VAL 165 N 0.09 0.44 1.28 1.11 0.24 -1.26 -4.86 118.33 115.37 3dbs n VAL 165 Ca 0.04 -1.03 0.14 0.00 -2.04 0.00 0.00 64.34 61.45 3dbs n VAL 165 Cb 0.44 0.56 0.60 0.00 -1.47 0.00 0.00 33.84 33.96 3dbs n VAL 165 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3dbs n SER 166 N -0.06 0.29 -2.74 -1.34 3.41 -1.26 -3.97 113.62 107.96 3dbs n SER 166 Ca 0.06 -0.24 -0.14 0.00 -0.26 0.00 0.00 58.87 58.29 3dbs n SER 166 Cb 0.89 -0.16 0.01 0.00 -0.26 0.00 0.00 64.21 64.69 3dbs n SER 166 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3dbs n ASN 167 N -1.19 1.92 -4.00 4.04 5.15 -1.26 -5.07 115.26 114.84 3dbs n ASN 167 Ca 0.12 -2.95 -0.09 0.00 -0.60 0.00 0.00 54.58 51.06 3dbs n ASN 167 Cb 0.29 -0.54 -0.11 0.00 -0.53 0.00 0.00 39.78 38.90 3dbs n ASN 167 CO 0.00 0.00 0.00 0.68 1.40 0.00 0.00 177.26 179.34 3dbs s VAL 168 N -3.39 0.13 0.00 3.44 -7.23 -1.25 -4.76 120.40 107.34 3dbs s VAL 168 Ca 0.33 -1.11 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 3dbs s VAL 168 Cb 0.42 -0.55 0.00 0.00 0.56 0.00 0.00 36.38 36.81 3dbs s VAL 168 CO -0.02 -0.61 0.79 0.00 -0.31 0.00 0.00 175.10 174.95 3dbs n HIS 169 N 1.25 0.00 -2.36 2.82 1.44 -1.26 -5.04 115.22 112.07 3dbs n HIS 169 Ca -0.22 -0.31 0.00 0.00 -2.01 0.00 0.00 57.72 55.18 3dbs n HIS 169 Cb 0.56 -0.03 0.00 0.00 0.12 0.00 0.00 29.99 30.64 3dbs n HIS 169 CO 0.00 0.00 0.00 -0.40 -2.81 0.00 0.00 176.34 173.13 3dbs n ASP 170 N -0.31 0.00 -0.69 4.39 5.75 -1.26 -5.08 116.55 119.35 3dbs n ASP 170 Ca 0.00 -0.14 0.06 0.00 -0.01 0.00 0.00 54.79 54.70 3dbs n ASP 170 Cb 0.22 0.00 0.18 0.00 -1.03 0.00 0.00 41.12 40.50 3dbs n ASP 170 CO 0.00 0.00 0.00 -0.90 -0.11 0.00 0.00 177.20 176.19 3dbs n ASP 171 N -0.21 1.64 -0.16 -1.12 3.85 -1.26 -4.81 116.55 114.48 3dbs n ASP 171 Ca 0.00 -3.63 -0.06 0.00 -0.71 0.00 0.00 54.79 50.39 3dbs n ASP 171 Cb 0.00 -0.50 0.03 0.00 -1.35 0.00 0.00 41.12 39.31 3dbs n ASP 171 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.20 176.11 3dbs h GLU 172 N 0.95 0.58 -0.78 0.11 4.81 -1.98 -1.75 114.58 116.52 3dbs h GLU 172 Ca -0.03 -0.03 -0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3dbs h GLU 172 Cb 1.11 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 30.32 3dbs h GLU 172 CO 0.01 0.38 0.47 -0.07 -0.73 0.00 0.00 179.01 179.07 3dbs h LEU 173 N 0.60 0.93 0.04 1.64 3.38 -1.99 -0.72 115.31 119.19 3dbs h LEU 173 Ca 0.20 -0.05 -0.25 0.00 0.09 0.00 0.00 57.88 57.87 3dbs h LEU 173 Cb 0.01 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.52 3dbs h LEU 173 CO -0.08 0.71 -1.13 -0.08 0.09 0.00 0.00 178.44 177.95 3dbs h GLU 174 N 1.07 0.21 -0.26 1.13 4.22 -1.87 -2.22 114.58 116.86 3dbs h GLU 174 Ca 0.28 -0.34 -0.05 0.00 0.08 0.00 0.00 59.36 59.33 3dbs h GLU 174 Cb -0.05 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 3dbs h GLU 174 CO -0.05 1.14 -0.07 0.35 -2.18 0.00 0.00 179.01 178.19 3dbs h PHE 175 N 0.07 0.44 0.00 0.92 3.57 -1.15 -2.42 116.94 118.37 3dbs h PHE 175 Ca -0.09 -0.05 -0.18 0.00 3.53 0.00 0.00 57.97 61.17 3dbs h PHE 175 Cb 1.85 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 40.45 3dbs h PHE 175 CO 0.05 0.49 -0.84 1.15 -2.23 0.00 0.00 178.31 176.93 3dbs h THR 176 N 0.40 1.54 -0.58 4.41 2.02 -1.01 -0.15 112.91 119.54 3dbs h THR 176 Ca 0.08 -2.69 0.01 0.00 0.77 0.00 0.00 66.41 64.58 3dbs h THR 176 Cb 0.38 2.47 -0.03 0.00 -1.74 0.00 0.00 68.15 69.24 3dbs h THR 176 CO 0.02 0.78 0.38 0.03 0.37 0.00 0.00 175.52 177.09 3dbs h ARG 177 N 0.05 0.75 -0.03 6.66 3.08 -1.06 -2.64 114.38 121.20 3dbs h ARG 177 Ca -0.02 -0.05 -0.14 0.00 0.07 0.00 0.00 59.98 59.84 3dbs h ARG 177 Cb 1.46 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 31.32 3dbs h ARG 177 CO 0.12 0.50 -0.64 0.00 -1.07 0.00 0.00 179.97 178.87 3dbs h ARG 178 N 0.77 0.11 -0.07 0.04 3.08 -1.27 -3.15 114.38 113.90 3dbs h ARG 178 Ca 0.21 -0.08 -0.10 0.00 0.07 0.00 0.00 59.98 60.08 3dbs h ARG 178 Cb -0.08 0.01 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3dbs h ARG 178 CO -0.05 0.71 -0.42 0.78 -1.07 0.00 0.00 179.97 179.92 3dbs h GLY 179 N 1.72 0.17 0.86 0.04 0.00 -0.88 -3.15 103.07 101.83 3dbs h GLY 179 Ca -0.01 -0.17 0.00 0.00 0.00 0.00 0.00 47.33 47.16 3dbs h GLY 179 CO 0.09 0.15 -0.20 1.04 0.00 0.00 0.00 176.54 177.62 3dbs n LEU 180 N -4.02 0.57 -0.31 3.11 4.77 -1.01 -3.56 117.00 116.55 3dbs n LEU 180 Ca -0.02 -0.01 -0.05 0.00 -0.03 0.00 0.00 56.01 55.90 3dbs n LEU 180 Cb 0.48 -0.21 0.07 0.00 -2.33 0.00 0.00 43.42 41.43 3dbs n LEU 180 CO 0.41 0.11 1.12 0.58 -1.33 0.00 0.00 177.39 178.29 3dbs h VAL 181 N 0.58 1.25 0.51 4.08 2.07 -1.60 -2.44 116.25 120.71 3dbs h VAL 181 Ca 0.00 -0.68 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 3dbs h VAL 181 Cb 0.43 0.17 0.01 0.00 -1.52 0.00 0.00 31.29 30.37 3dbs h VAL 181 CO 0.00 0.30 -0.25 0.74 0.02 0.00 0.00 177.57 178.38 3dbs h THR 182 N 1.18 0.33 -0.93 2.57 2.02 -1.78 -0.98 112.91 115.32 3dbs h THR 182 Ca 0.29 -0.43 0.20 0.00 0.77 0.00 0.00 66.41 67.24 3dbs h THR 182 Cb 0.08 0.46 -0.07 0.00 -1.74 0.00 0.00 68.15 66.88 3dbs h THR 182 CO -0.04 0.05 0.61 -0.65 0.37 0.00 0.00 175.52 175.86 3dbs h PRO 183 N -1.01 0.46 0.38 6.66 0.11 -1.76 -0.33 132.00 136.51 3dbs h PRO 183 Ca -0.07 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.99 3dbs h PRO 183 Cb 0.61 -0.10 0.00 0.00 0.11 0.00 0.00 31.00 31.62 3dbs h PRO 183 CO 0.12 0.31 -0.18 -0.09 -0.21 0.00 0.00 178.00 177.94 3dbs h ARG 184 N 0.48 -0.50 -0.22 1.05 2.43 -1.30 -2.72 114.38 113.60 3dbs h ARG 184 Ca 0.49 0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.60 3dbs h ARG 184 Cb 1.13 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.78 3dbs h ARG 184 CO -0.21 -0.23 -0.27 0.52 -1.51 0.00 0.00 179.97 178.27 3dbs h MET 185 N -0.71 0.43 0.26 0.20 0.00 -0.45 -1.28 114.93 113.38 3dbs h MET 185 Ca -0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 59.70 59.47 3dbs h MET 185 Cb 0.50 -0.02 0.00 0.00 0.00 0.00 0.00 31.60 32.08 3dbs h MET 185 CO 0.09 0.67 -0.14 0.00 0.00 0.00 0.00 176.91 177.53 3dbs h ALA 186 N 1.33 -0.37 -0.60 6.32 0.00 -1.14 -0.01 119.26 124.80 3dbs h ALA 186 Ca 0.05 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 54.82 3dbs h ALA 186 Cb 0.68 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.60 3dbs h ALA 186 CO 0.05 -0.71 0.13 1.49 0.00 0.00 0.00 179.25 180.21 3dbs h GLU 187 N -0.37 0.97 -0.34 0.00 4.57 -1.15 -2.15 114.58 116.10 3dbs h GLU 187 Ca -0.03 -0.24 -0.03 0.00 -1.18 0.00 0.00 59.36 57.87 3dbs h GLU 187 Cb 0.29 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 3dbs h GLU 187 CO 0.05 0.90 0.08 0.28 -1.18 0.00 0.00 179.01 179.14 3dbs h VAL 188 N 0.88 1.22 0.00 0.32 2.07 -1.20 -2.97 116.25 116.56 3dbs h VAL 188 Ca 0.19 -0.75 -0.05 0.00 0.82 0.00 0.00 66.70 66.90 3dbs h VAL 188 Cb 0.38 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.21 3dbs h VAL 188 CO 0.01 0.25 -0.23 0.00 0.02 0.00 0.00 177.57 177.62 3dbs h ALA 189 N 0.92 1.17 -0.46 1.67 0.00 -0.74 -2.97 119.26 118.85 3dbs h ALA 189 Ca 0.11 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3dbs h ALA 189 Cb 0.30 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3dbs h ALA 189 CO 0.00 0.29 0.00 -1.13 0.00 0.00 0.00 179.25 178.41 3dbs n SER 190 N -3.61 4.09 -4.84 0.00 3.41 -0.83 -4.98 113.62 106.86 3dbs n SER 190 Ca -0.01 -2.52 -0.37 0.00 -0.26 0.00 0.00 58.87 55.72 3dbs n SER 190 Cb 0.37 -0.48 -0.07 0.00 -0.26 0.00 0.00 64.21 63.77 3dbs n SER 190 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dbs s ARG 191 N -1.95 3.58 -0.06 4.33 1.70 -1.13 -5.04 118.95 120.38 3dbs s ARG 191 Ca 0.42 -0.16 -0.30 0.00 -0.47 0.00 0.00 55.73 55.22 3dbs s ARG 191 Cb 0.28 -3.23 -0.05 0.00 -0.57 0.00 0.00 34.95 31.39 3dbs s ARG 191 CO 0.17 0.68 1.60 0.34 -1.08 0.00 0.00 175.30 177.01 3dbs s ASP 192 N -0.74 6.71 0.12 -2.89 3.68 -1.26 -4.93 116.67 117.37 3dbs s ASP 192 Ca 0.13 2.17 -0.21 0.00 2.13 0.00 0.00 52.55 56.77 3dbs s ASP 192 Cb -0.12 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.78 3dbs s ASP 192 CO 0.03 -0.90 1.70 -0.65 0.13 0.00 0.00 175.17 175.48 3dbs h PRO 193 N 9.29 -0.06 -0.36 4.34 0.11 -1.96 -1.39 132.00 141.97 3dbs h PRO 193 Ca -0.38 0.00 0.02 0.00 0.11 0.00 0.00 66.00 65.76 3dbs h PRO 193 Cb 1.17 0.01 -0.03 0.00 0.11 0.00 0.00 31.00 32.27 3dbs h PRO 193 CO 0.95 -0.04 0.20 0.87 -0.21 0.00 0.00 178.00 179.77 3dbs h LYS 194 N -0.06 0.39 0.00 1.05 1.57 -1.95 -2.06 116.57 115.51 3dbs h LYS 194 Ca 0.08 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3dbs h LYS 194 Cb 0.19 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.41 3dbs h LYS 194 CO -0.19 0.26 -0.08 -0.07 -0.57 0.00 0.00 179.45 178.80 3dbs h LEU 195 N 0.41 0.00 -0.20 2.94 3.38 -1.96 -3.07 115.31 116.80 3dbs h LEU 195 Ca 0.15 0.00 -0.21 0.00 0.09 0.00 0.00 57.88 57.91 3dbs h LEU 195 Cb 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 3dbs h LEU 195 CO -0.08 0.08 -0.94 0.22 0.09 0.00 0.00 178.44 177.81 3dbs h TYR 196 N 0.00 0.31 -0.08 1.13 3.20 -0.99 -1.20 116.97 119.34 3dbs h TYR 196 Ca -0.00 -0.18 -0.15 0.00 3.14 0.00 0.00 58.73 61.54 3dbs h TYR 196 Cb 0.96 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 39.19 3dbs h TYR 196 CO 0.00 1.02 -0.61 0.00 -1.64 0.00 0.00 178.16 176.93 3dbs h ALA 197 N 0.91 0.82 0.00 1.82 0.00 -1.32 -3.31 119.26 118.19 3dbs h ALA 197 Ca -0.05 -0.55 -0.07 0.00 0.00 0.00 0.00 54.91 54.24 3dbs h ALA 197 Cb 1.59 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 19.29 3dbs h ALA 197 CO 0.14 0.73 -1.85 -1.33 0.00 0.00 0.00 179.25 176.95 3dbs n MET 198 N -3.87 0.65 -4.06 0.00 2.81 -1.17 -4.95 117.12 106.53 3dbs n MET 198 Ca -0.03 -0.08 -0.27 0.00 -1.81 0.00 0.00 57.70 55.51 3dbs n MET 198 Cb 0.62 -1.59 -0.04 0.00 -0.71 0.00 0.00 33.22 31.50 3dbs n MET 198 CO 0.00 0.00 0.00 -2.39 1.51 0.00 0.00 175.97 175.09 3dbs n HIS 199 N -2.45 -1.53 -1.66 2.03 1.44 -0.46 -4.30 115.22 108.30 3dbs n HIS 199 Ca -0.08 0.69 -0.52 0.00 -2.01 0.00 0.00 57.72 55.79 3dbs n HIS 199 Cb 0.67 -3.44 -0.06 0.00 0.12 0.00 0.00 29.99 27.29 3dbs n HIS 199 CO 0.00 0.00 0.00 -0.35 -2.81 0.00 0.00 176.34 173.18 3dbs n PRO 200 N -4.46 1.44 -3.42 -1.40 -0.04 -1.26 -4.89 135.00 120.97 3dbs n PRO 200 Ca -0.31 0.53 -0.40 0.00 -0.04 0.00 0.00 63.50 63.28 3dbs n PRO 200 Cb 0.69 -2.23 -0.09 0.00 -0.04 0.00 0.00 33.50 31.82 3dbs n PRO 200 CO 0.00 0.00 0.00 -0.46 -0.04 0.00 0.00 175.50 175.00 3dbs s TRP 201 N 2.09 3.22 0.02 0.54 -0.00 -1.26 -5.01 118.94 118.54 3dbs s TRP 201 Ca 0.89 0.16 -0.20 0.00 -0.00 0.00 0.00 56.10 56.95 3dbs s TRP 201 Cb -0.92 -2.59 0.04 0.00 -0.00 0.00 0.00 33.47 30.00 3dbs s TRP 201 CO 0.53 -0.32 0.46 0.08 -0.00 0.00 0.00 176.95 177.69 3dbs s VAL 202 N 2.00 0.04 0.01 5.86 1.01 -1.26 -2.16 120.40 125.90 3dbs s VAL 202 Ca 0.12 -0.35 -0.02 0.00 0.00 0.00 0.00 61.98 61.73 3dbs s VAL 202 Cb -0.16 -0.91 -0.01 0.00 0.00 0.00 0.00 36.38 35.30 3dbs s VAL 202 CO 0.11 -0.19 0.03 0.28 0.00 0.00 0.00 175.10 175.33 3dbs s THR 203 N -2.12 0.08 -1.91 3.92 -1.32 -0.26 -4.38 115.64 109.65 3dbs s THR 203 Ca -0.07 -0.64 0.18 0.00 -1.21 0.00 0.00 61.69 59.94 3dbs s THR 203 Cb -0.01 -0.26 0.32 0.00 -1.51 0.00 0.00 72.50 71.04 3dbs s THR 203 CO 0.00 -0.35 1.25 -1.20 -2.21 0.00 0.00 174.62 172.11 3dbs n SER 204 N 1.91 3.02 -4.79 8.08 7.64 -1.26 -4.71 113.62 123.52 3dbs n SER 204 Ca -0.21 -1.88 -0.33 0.00 1.01 0.00 0.00 58.87 57.46 3dbs n SER 204 Cb 0.56 -0.19 0.03 0.00 -1.01 0.00 0.00 64.21 63.60 3dbs n SER 204 CO 0.00 0.00 0.00 -0.54 -3.01 0.00 0.00 175.04 171.49 3dbs s LYS 205 N -1.26 3.09 0.64 1.43 1.02 -1.26 -5.02 119.74 118.38 3dbs s LYS 205 Ca 0.30 1.29 -0.17 0.00 0.02 0.00 0.00 55.97 57.40 3dbs s LYS 205 Cb 0.18 -2.00 -0.01 0.00 -0.52 0.00 0.00 37.83 35.48 3dbs s LYS 205 CO 0.24 -1.00 1.19 -1.25 -0.92 0.00 0.00 175.35 173.61 3dbs s PRO 206 N -4.08 2.71 0.23 -1.68 0.04 -1.26 -4.96 135.00 125.99 3dbs s PRO 206 Ca 0.65 1.74 -0.30 0.00 0.04 0.00 0.00 61.00 63.13 3dbs s PRO 206 Cb -0.18 -1.91 -0.10 0.00 0.04 0.00 0.00 34.50 32.35 3dbs s PRO 206 CO 0.39 -1.39 1.46 -0.51 0.04 0.00 0.00 177.00 176.99 3dbs s LEU 207 N -4.49 4.38 1.00 -3.56 1.43 -1.26 -5.01 118.68 111.17 3dbs s LEU 207 Ca 0.75 2.65 -0.11 0.00 -1.03 0.00 0.00 54.13 56.39 3dbs s LEU 207 Cb -0.29 -3.62 0.19 0.00 0.03 0.00 0.00 46.19 42.51 3dbs s LEU 207 CO 0.38 -0.72 1.09 -2.84 0.23 0.00 0.00 176.35 174.48 3dbs s PRO 208 N -0.09 0.39 0.22 1.29 0.02 -1.26 -4.90 135.00 130.67 3dbs s PRO 208 Ca 0.61 1.16 -0.05 0.00 0.02 0.00 0.00 61.00 62.74 3dbs s PRO 208 Cb -0.42 -1.68 0.21 0.00 0.02 0.00 0.00 34.50 32.62 3dbs s PRO 208 CO 0.41 -2.93 1.71 0.93 -0.33 0.00 0.00 177.00 176.79 3dbs h GLU 209 N -2.07 0.94 0.00 5.54 5.08 -1.90 -2.83 114.58 119.34 3dbs h GLU 209 Ca -0.51 -0.27 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 3dbs h GLU 209 Cb 1.29 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3dbs h GLU 209 CO 0.47 0.92 0.00 2.48 -1.00 0.00 0.00 179.01 181.88 3dbs n TYR 210 N -4.20 0.00 0.01 4.33 0.18 -1.26 -2.75 117.16 113.47 3dbs n TYR 210 Ca 0.03 0.00 0.00 0.00 1.88 0.00 0.00 57.90 59.81 3dbs n TYR 210 Cb 0.32 0.00 -0.00 0.00 -0.38 0.00 0.00 39.34 39.27 3dbs n TYR 210 CO 0.00 0.00 0.00 1.28 -2.08 0.00 0.00 176.86 176.06 3dbs n LEU 211 N -0.84 0.01 0.11 -3.48 4.77 -1.08 -4.51 117.00 111.98 3dbs n LEU 211 Ca 0.09 -0.18 0.13 0.00 -0.03 0.00 0.00 56.01 56.01 3dbs n LEU 211 Cb 0.04 0.00 0.43 0.00 -2.33 0.00 0.00 43.42 41.56 3dbs n LEU 211 CO 0.06 0.00 0.88 0.79 -1.33 0.00 0.00 177.39 177.80 3dbs n TRP 212 N -1.33 0.89 0.15 -1.77 7.02 -1.11 -3.13 117.44 118.17 3dbs n TRP 212 Ca -0.00 0.28 0.00 0.00 -1.02 0.00 0.00 57.50 56.76 3dbs n TRP 212 Cb 0.01 -0.96 0.27 0.00 -2.42 0.00 0.00 31.31 28.21 3dbs n TRP 212 CO 0.00 0.00 0.00 1.57 -2.02 0.00 0.00 177.69 177.24 3dbs h LYS 213 N 0.00 0.04 -0.93 -0.99 -0.00 -1.77 -2.73 116.57 110.19 3dbs h LYS 213 Ca 0.00 -0.02 -0.04 0.00 -0.00 0.00 0.00 60.65 60.59 3dbs h LYS 213 Cb 0.64 0.00 -0.02 0.00 -0.00 0.00 0.00 32.23 32.85 3dbs h LYS 213 CO 0.00 0.50 0.05 1.17 -0.00 0.00 0.00 179.45 181.16 3dbs n LYS 214 N -3.99 1.79 -3.39 0.07 4.81 -1.18 -4.36 118.16 111.91 3dbs n LYS 214 Ca -0.02 -0.78 -0.17 0.00 -0.87 0.00 0.00 58.31 56.48 3dbs n LYS 214 Cb 0.49 -1.58 -0.09 0.00 0.02 0.00 0.00 35.03 33.87 3dbs n LYS 214 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 3dbs s ILE 215 N -1.26 -0.40 -1.19 3.15 1.01 -1.03 -5.01 121.20 116.47 3dbs s ILE 215 Ca 0.14 -0.58 0.10 0.00 0.00 0.00 0.00 60.65 60.31 3dbs s ILE 215 Cb 0.11 -0.93 0.41 0.00 0.01 0.00 0.00 42.46 42.05 3dbs s ILE 215 CO 0.04 -0.48 1.23 0.00 0.00 0.00 0.00 174.94 175.72 3dbs n ALA 216 N 5.11 2.91 -1.73 9.38 0.00 -1.26 -4.46 120.51 130.45 3dbs n ALA 216 Ca 0.01 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.55 3dbs n ALA 216 Cb 0.46 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3dbs n ALA 216 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 3dbs n ASN 217 N 0.48 0.00 -3.35 0.00 6.94 -1.26 -5.04 115.26 113.03 3dbs n ASN 217 Ca 0.14 -1.00 -0.24 0.00 -0.02 0.00 0.00 54.58 53.46 3dbs n ASN 217 Cb 0.58 0.00 0.03 0.00 -2.36 0.00 0.00 39.78 38.04 3dbs n ASN 217 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 3dbs n ASN 218 N 0.00 -5.49 -3.57 0.53 4.05 -1.26 -4.96 115.26 104.55 3dbs n ASN 218 Ca 0.00 -0.44 -0.18 0.00 0.45 0.00 0.00 54.58 54.41 3dbs n ASN 218 Cb 0.26 -4.41 -0.14 0.00 1.23 0.00 0.00 39.78 36.72 3dbs n ASN 218 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3dbs s ILE 220 N 2.31 4.21 -0.30 0.00 1.01 0.72 -4.94 121.20 124.22 3dbs s ILE 220 Ca 0.05 -0.80 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 3dbs s ILE 220 Cb -0.14 -2.98 -0.01 0.00 0.01 0.00 0.00 42.46 39.34 3dbs s ILE 220 CO -0.10 0.20 0.15 -0.36 0.00 0.00 0.00 174.94 174.83 3dbs s PHE 221 N -1.26 3.17 0.18 3.97 0.40 -1.26 -2.63 117.98 120.55 3dbs s PHE 221 Ca 0.25 -0.50 0.09 0.00 -0.60 0.00 0.00 56.93 56.16 3dbs s PHE 221 Cb -0.12 -2.34 -0.04 0.00 0.51 0.00 0.00 43.02 41.03 3dbs s PHE 221 CO 0.17 -0.42 -0.08 0.42 0.70 0.00 0.00 175.22 176.01 3dbs s ILE 222 N 1.63 3.30 -0.25 0.64 -1.09 -1.22 -3.50 121.20 120.69 3dbs s ILE 222 Ca 0.05 -1.60 -0.03 0.00 -2.23 0.00 0.00 60.65 56.84 3dbs s ILE 222 Cb -0.17 -2.63 0.08 0.00 -1.58 0.00 0.00 42.46 38.16 3dbs s ILE 222 CO 0.06 -0.10 0.09 -0.69 -1.23 0.00 0.00 174.94 173.07 3dbs s VAL 223 N -1.70 0.40 0.17 2.92 1.01 -0.73 -2.06 120.40 120.42 3dbs s VAL 223 Ca 0.25 -0.84 -0.24 0.00 0.00 0.00 0.00 61.98 61.16 3dbs s VAL 223 Cb -0.09 -1.17 -0.08 0.00 0.00 0.00 0.00 36.38 35.05 3dbs s VAL 223 CO 0.16 -0.51 0.76 -0.63 0.00 0.00 0.00 175.10 174.87 3dbs s ILE 224 N 1.88 4.42 0.22 2.22 1.01 -1.08 -1.74 121.20 128.13 3dbs s ILE 224 Ca 0.05 1.61 0.11 0.00 0.00 0.00 0.00 60.65 62.43 3dbs s ILE 224 Cb -0.17 -4.08 -0.05 0.00 0.01 0.00 0.00 42.46 38.18 3dbs s ILE 224 CO -0.22 0.47 -0.22 -1.00 0.00 0.00 0.00 174.94 173.97 3dbs s HIS 225 N -1.21 2.25 -0.30 3.97 3.76 0.24 -3.19 115.29 120.82 3dbs s HIS 225 Ca 0.36 -0.36 0.02 0.00 -0.15 0.00 0.00 55.06 54.93 3dbs s HIS 225 Cb -0.22 -1.07 0.19 0.00 1.11 0.00 0.00 32.58 32.60 3dbs s HIS 225 CO 0.25 0.56 0.60 1.03 -0.85 0.00 0.00 174.74 176.32 3dbs s ARG 226 N -2.97 0.57 0.00 1.40 1.81 -1.01 -2.81 118.95 115.93 3dbs s ARG 226 Ca 0.23 0.82 0.00 0.00 -1.72 0.00 0.00 55.73 55.07 3dbs s ARG 226 Cb -0.07 0.43 0.00 0.00 -0.45 0.00 0.00 34.95 34.87 3dbs s ARG 226 CO 0.11 -0.80 0.00 -1.13 -0.68 0.00 0.00 175.30 172.81 3dbs n SER 227 N 5.43 0.00 0.00 0.23 3.41 -1.26 -3.17 113.62 118.25 3dbs n SER 227 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.62 3dbs n SER 227 Cb 0.52 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.47 3dbs n SER 227 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 3dbs n THR 228 N 0.00 0.00 -1.23 6.66 -1.04 -1.26 -4.99 114.28 112.42 3dbs n THR 228 Ca 0.00 0.15 -0.29 0.00 -2.04 0.00 0.00 64.05 61.87 3dbs n THR 228 Cb 0.00 -0.40 0.16 0.00 -1.82 0.00 0.00 70.33 68.27 3dbs n THR 228 CO 0.00 0.00 0.00 0.42 -0.64 0.00 0.00 175.07 174.85 3dbs s THR 229 N -0.04 2.23 -0.30 12.58 -4.23 -1.19 -5.07 115.64 119.62 3dbs s THR 229 Ca 0.00 0.07 -0.11 0.00 -1.18 0.00 0.00 61.69 60.47 3dbs s THR 229 Cb 0.00 -2.60 0.18 0.00 1.34 0.00 0.00 72.50 71.42 3dbs s THR 229 CO 0.00 -0.10 1.00 -0.94 -0.54 0.00 0.00 174.62 174.05 3dbs s SER 230 N -3.53 -0.56 0.47 3.99 1.04 -1.26 -2.41 113.70 111.45 3dbs s SER 230 Ca 0.65 0.25 -0.07 0.00 0.48 0.00 0.00 55.95 57.25 3dbs s SER 230 Cb -0.18 1.42 -0.05 0.00 0.10 0.00 0.00 66.02 67.32 3dbs s SER 230 CO 0.57 -0.10 0.81 -1.58 0.98 0.00 0.00 173.24 173.91 3dbs s GLN 231 N 2.94 3.62 0.07 4.02 2.00 -1.19 -4.88 119.66 126.24 3dbs s GLN 231 Ca 0.09 0.34 0.01 0.00 -2.00 0.00 0.00 55.36 53.80 3dbs s GLN 231 Cb -0.08 -2.35 -0.04 0.00 0.80 0.00 0.00 33.01 31.34 3dbs s GLN 231 CO -0.16 -0.20 0.20 0.99 -0.50 0.00 0.00 175.29 175.63 3dbs s THR 232 N -2.68 5.29 -0.03 -0.34 2.01 -1.26 -2.63 115.64 116.00 3dbs s THR 232 Ca 0.49 -0.45 0.02 0.00 0.31 0.00 0.00 61.69 62.06 3dbs s THR 232 Cb -0.10 -3.59 0.01 0.00 0.01 0.00 0.00 72.50 68.83 3dbs s THR 232 CO 0.42 0.12 -0.06 -0.63 -0.69 0.00 0.00 174.62 173.77 3dbs s ILE 233 N -1.51 0.62 -0.14 1.82 1.09 -0.87 -5.01 121.20 117.20 3dbs s ILE 233 Ca 0.34 -0.23 -0.29 0.00 -1.10 0.00 0.00 60.65 59.37 3dbs s ILE 233 Cb -0.13 -0.59 -0.01 0.00 -1.06 0.00 0.00 42.46 40.67 3dbs s ILE 233 CO 0.27 0.22 1.03 -0.54 -0.10 0.00 0.00 174.94 175.82 3dbs s LYS 234 N 0.50 4.37 0.01 2.79 1.02 -1.26 -3.46 119.74 123.71 3dbs s LYS 234 Ca -0.07 1.39 0.01 0.00 0.02 0.00 0.00 55.97 57.32 3dbs s LYS 234 Cb -0.11 -3.57 -0.01 0.00 -0.52 0.00 0.00 37.83 33.62 3dbs s LYS 234 CO 0.00 -0.42 -0.04 0.08 -0.92 0.00 0.00 175.35 174.06 3dbs s VAL 235 N 2.39 0.25 -0.01 3.17 1.01 -1.08 -5.02 120.40 121.12 3dbs s VAL 235 Ca 0.47 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.87 3dbs s VAL 235 Cb -0.18 -0.29 -0.05 0.00 0.00 0.00 0.00 36.38 35.87 3dbs s VAL 235 CO 0.14 -0.16 0.29 -0.55 0.00 0.00 0.00 175.10 174.82 3dbs s SER 236 N -0.70 6.56 0.42 3.32 0.15 -1.26 -0.20 113.70 121.99 3dbs s SER 236 Ca -0.05 0.65 0.23 0.00 0.70 0.00 0.00 55.95 57.48 3dbs s SER 236 Cb -0.05 -2.13 1.22 0.00 -1.71 0.00 0.00 66.02 63.35 3dbs s SER 236 CO -0.00 0.28 1.73 -0.65 1.20 0.00 0.00 173.24 175.80 3dbs h PRO 237 N 4.25 0.27 -0.05 5.44 0.11 -1.95 0.49 132.00 140.57 3dbs h PRO 237 Ca -0.51 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.58 3dbs h PRO 237 Cb 1.21 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.25 3dbs h PRO 237 CO 0.64 0.18 0.00 -0.25 -0.21 0.00 0.00 178.00 178.36 3dbs n ASP 238 N -4.62 0.47 -4.59 -2.05 8.00 -1.26 -2.48 116.55 110.02 3dbs n ASP 238 Ca 0.29 -1.56 -0.28 0.00 0.71 0.00 0.00 54.79 53.95 3dbs n ASP 238 Cb 1.06 -0.03 0.21 0.00 -0.02 0.00 0.00 41.12 42.33 3dbs n ASP 238 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 3dbs s ASP 239 N -1.51 1.87 0.06 -2.24 1.11 0.16 -4.74 116.67 111.38 3dbs s ASP 239 Ca 0.27 1.25 0.06 0.00 0.18 0.00 0.00 52.55 54.30 3dbs s ASP 239 Cb 0.13 -1.96 -0.03 0.00 1.07 0.00 0.00 42.92 42.13 3dbs s ASP 239 CO 0.21 -3.61 -0.15 -0.89 1.18 0.00 0.00 175.17 171.90 3dbs s THR 240 N -2.79 1.22 0.23 -1.27 2.01 -1.26 -2.13 115.64 111.65 3dbs s THR 240 Ca 0.67 -1.23 -0.14 0.00 0.31 0.00 0.00 61.69 61.30 3dbs s THR 240 Cb -0.21 -1.14 0.29 0.00 0.01 0.00 0.00 72.50 71.45 3dbs s THR 240 CO 0.60 -0.10 1.46 -2.65 -0.69 0.00 0.00 174.62 173.23 3dbs n PRO 241 N 1.49 -0.18 -0.11 4.92 -0.02 -1.26 -0.73 135.00 139.10 3dbs n PRO 241 Ca -0.20 1.45 -0.08 0.00 -2.02 0.00 0.00 63.50 62.65 3dbs n PRO 241 Cb 0.54 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.87 3dbs n PRO 241 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 3dbs h GLY 242 N 0.00 0.52 1.86 -1.23 0.00 -1.92 -3.04 103.07 99.26 3dbs h GLY 242 Ca 0.36 -0.17 -0.05 0.00 0.00 0.00 0.00 47.33 47.47 3dbs h GLY 242 CO -0.94 0.15 -0.17 0.00 0.00 0.00 0.00 176.54 175.58 3dbs h ALA 243 N 1.16 1.52 0.00 3.60 0.00 -1.36 -2.17 119.26 122.01 3dbs h ALA 243 Ca 0.15 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 3dbs h ALA 243 Cb -0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3dbs h ALA 243 CO -0.06 0.35 -0.36 -0.84 0.00 0.00 0.00 179.25 178.33 3dbs h ILE 244 N 0.17 0.30 0.00 0.00 3.07 -0.95 -2.14 117.51 117.95 3dbs h ILE 244 Ca 0.03 -1.43 -0.09 0.00 1.55 0.00 0.00 64.86 64.92 3dbs h ILE 244 Cb 0.40 2.07 -0.01 0.00 -0.27 0.00 0.00 36.82 39.01 3dbs h ILE 244 CO 0.03 0.17 -0.43 -0.07 -1.05 0.00 0.00 178.15 176.80 3dbs h LEU 245 N 0.00 0.00 -0.93 0.16 3.38 -1.37 -2.56 115.31 113.99 3dbs h LEU 245 Ca -0.01 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 57.85 3dbs h LEU 245 Cb 1.15 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.89 3dbs h LEU 245 CO 0.02 0.43 -0.53 -0.61 0.09 0.00 0.00 178.44 177.84 3dbs h GLN 246 N 0.00 0.02 -0.79 1.13 4.15 -0.87 -2.72 115.11 116.02 3dbs h GLN 246 Ca -0.00 -0.01 -0.28 0.00 0.77 0.00 0.00 58.65 59.13 3dbs h GLN 246 Cb 0.86 0.00 -0.17 0.00 0.21 0.00 0.00 27.48 28.38 3dbs h GLN 246 CO 0.06 0.54 0.35 -1.13 -1.93 0.00 0.00 178.83 176.71 3dbs n SER 247 N -3.91 4.61 0.04 -0.69 3.41 -0.85 -3.60 113.62 112.63 3dbs n SER 247 Ca -0.01 -3.31 0.00 0.00 -0.26 0.00 0.00 58.87 55.28 3dbs n SER 247 Cb 0.54 -0.77 0.00 0.00 -0.26 0.00 0.00 64.21 63.72 3dbs n SER 247 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3dbs n PHE 248 N -0.37 -0.35 -0.05 7.33 7.35 -0.98 -4.44 117.46 125.95 3dbs n PHE 248 Ca 0.45 0.06 -0.13 0.00 -0.76 0.00 0.00 57.45 57.07 3dbs n PHE 248 Cb 1.45 0.15 -0.08 0.00 0.35 0.00 0.00 39.48 41.36 3dbs n PHE 248 CO 0.00 0.00 0.00 0.74 -0.76 0.00 0.00 176.76 176.74 3dbs h PHE 249 N 0.00 0.33 0.00 -5.13 -1.00 -1.70 -2.92 116.94 106.51 3dbs h PHE 249 Ca 0.00 -0.10 -0.03 0.00 2.81 0.00 0.00 57.97 60.66 3dbs h PHE 249 Cb 0.38 -0.07 -0.00 0.00 3.61 0.00 0.00 35.95 39.87 3dbs h PHE 249 CO 0.00 0.68 -0.13 1.15 -1.61 0.00 0.00 178.31 178.39 3dbs h THR 250 N -0.12 0.37 -1.25 -1.55 2.02 -1.77 -3.12 112.91 107.49 3dbs h THR 250 Ca 0.02 -0.81 -0.75 0.00 0.77 0.00 0.00 66.41 65.64 3dbs h THR 250 Cb 0.62 1.60 -0.14 0.00 -1.74 0.00 0.00 68.15 68.49 3dbs h THR 250 CO 0.03 0.13 2.29 1.17 0.37 0.00 0.00 175.52 179.51 3dbs n LYS 251 N -3.33 4.56 0.00 6.66 4.81 -1.10 -4.15 118.16 125.61 3dbs n LYS 251 Ca -0.00 -3.54 0.00 0.00 -0.87 0.00 0.00 58.31 53.89 3dbs n LYS 251 Cb 0.35 -2.65 0.00 0.00 0.02 0.00 0.00 35.03 32.75 3dbs n LYS 251 CO 0.00 0.00 0.00 -0.12 1.17 0.00 0.00 177.40 178.45 3dbs n MET 252 N 1.82 0.00 -3.28 1.64 1.56 -1.18 -4.75 117.12 112.93 3dbs n MET 252 Ca 0.59 0.00 -0.19 0.00 -0.27 0.00 0.00 57.70 57.84 3dbs n MET 252 Cb 0.26 0.00 0.01 0.00 2.15 0.00 0.00 33.22 35.64 3dbs n MET 252 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 3dbs n ALA 253 N -1.38 -2.66 0.00 -5.12 0.00 -1.21 -5.15 120.51 104.99 3dbs n ALA 253 Ca 0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 3dbs n ALA 253 Cb 0.00 -2.24 0.00 0.00 0.00 0.00 0.00 19.45 17.21 3dbs n ALA 253 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 3dbs n GLU 267 N -1.06 0.00 -0.73 0.00 2.13 -1.26 -5.16 120.64 114.56 3dbs n GLU 267 Ca -0.06 0.00 -0.13 0.00 0.66 0.00 0.00 57.16 57.63 3dbs n GLU 267 Cb 0.58 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.41 3dbs n GLU 267 CO 0.00 0.00 0.00 1.04 -0.41 0.00 0.00 177.13 177.76 3dbs n GLN 268 N 0.00 1.85 -1.32 5.31 1.13 -1.26 -4.28 117.38 118.82 3dbs n GLN 268 Ca 0.00 -1.82 -0.14 0.00 -1.94 0.00 0.00 57.00 53.09 3dbs n GLN 268 Cb 0.00 -1.73 0.12 0.00 0.11 0.00 0.00 30.24 28.74 3dbs n GLN 268 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 3dbs n ASP 269 N -0.45 3.96 -4.90 1.08 3.85 -1.26 -4.99 116.55 113.84 3dbs n ASP 269 Ca 0.35 -3.80 -0.26 0.00 -0.71 0.00 0.00 54.79 50.38 3dbs n ASP 269 Cb 1.19 -0.55 -0.01 0.00 -1.35 0.00 0.00 41.12 40.40 3dbs n ASP 269 CO 0.00 0.00 0.00 -0.36 -1.01 0.00 0.00 177.20 175.83 3dbs s PHE 270 N -3.46 1.71 -0.03 2.11 0.40 -1.26 -4.57 117.98 112.88 3dbs s PHE 270 Ca 0.49 -0.81 -0.17 0.00 -0.60 0.00 0.00 56.93 55.84 3dbs s PHE 270 Cb 0.42 -1.94 0.03 0.00 0.51 0.00 0.00 43.02 42.04 3dbs s PHE 270 CO 0.00 -0.46 0.37 0.54 0.70 0.00 0.00 175.22 176.37 3dbs s VAL 271 N -2.75 0.04 -0.93 -0.44 0.11 -1.01 -4.86 120.40 110.57 3dbs s VAL 271 Ca 0.36 -0.37 -0.15 0.00 -2.93 0.00 0.00 61.98 58.89 3dbs s VAL 271 Cb -0.02 -0.66 0.20 0.00 -1.53 0.00 0.00 36.38 34.36 3dbs s VAL 271 CO 0.22 -0.20 0.99 -0.76 -3.33 0.00 0.00 175.10 172.02 3dbs s LEU 272 N -1.18 6.02 0.33 2.54 1.43 -1.26 -3.19 118.68 123.37 3dbs s LEU 272 Ca -0.12 -2.64 -0.12 0.00 -1.03 0.00 0.00 54.13 50.22 3dbs s LEU 272 Cb -0.04 -2.29 -0.08 0.00 0.03 0.00 0.00 46.19 43.81 3dbs s LEU 272 CO 0.05 -0.70 0.70 -0.60 0.23 0.00 0.00 176.35 176.03 3dbs s ARG 273 N 0.89 3.88 0.27 1.70 3.52 -0.91 -0.49 118.95 127.81 3dbs s ARG 273 Ca 0.27 0.51 -0.21 0.00 -0.13 0.00 0.00 55.73 56.16 3dbs s ARG 273 Cb -0.08 -2.47 -0.09 0.00 -1.56 0.00 0.00 34.95 30.76 3dbs s ARG 273 CO -0.08 0.13 0.80 0.08 -0.81 0.00 0.00 175.30 175.42 3dbs s VAL 274 N -2.08 4.47 -0.27 7.11 1.01 0.27 -0.78 120.40 130.14 3dbs s VAL 274 Ca 0.52 1.40 -0.29 0.00 0.00 0.00 0.00 61.98 63.61 3dbs s VAL 274 Cb -0.10 -3.85 -0.02 0.00 0.00 0.00 0.00 36.38 32.40 3dbs s VAL 274 CO 0.23 0.11 1.64 0.00 0.00 0.00 0.00 175.10 177.08 3dbs n GLY 276 N 4.92 0.83 2.69 0.00 0.00 -1.25 -4.56 105.19 107.81 3dbs n GLY 276 Ca 0.20 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 46.01 3dbs n GLY 276 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dbs n ARG 277 N -1.23 0.69 -3.11 1.61 1.74 -1.17 -4.61 116.66 110.57 3dbs n ARG 277 Ca 0.00 -2.77 -0.32 0.00 -0.77 0.00 0.00 57.85 53.99 3dbs n ARG 277 Cb 0.00 1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 32.84 3dbs n ARG 277 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3dbs n ASP 278 N -1.60 5.01 -3.69 0.55 10.43 -1.03 -4.69 116.55 121.54 3dbs n ASP 278 Ca -0.06 -3.53 -0.25 0.00 2.57 0.00 0.00 54.79 53.52 3dbs n ASP 278 Cb 0.49 -0.84 -0.17 0.00 1.84 0.00 0.00 41.12 42.44 3dbs n ASP 278 CO 0.00 0.00 0.00 -0.70 -1.07 0.00 0.00 177.20 175.43 3dbs s GLU 279 N -3.04 0.32 -0.08 -1.24 2.56 -1.26 -4.77 118.70 111.19 3dbs s GLU 279 Ca 0.40 -0.07 -0.02 0.00 0.00 0.00 0.00 54.97 55.28 3dbs s GLU 279 Cb 0.16 -1.53 -0.03 0.00 2.00 0.00 0.00 34.13 34.73 3dbs s GLU 279 CO -0.03 -0.53 0.01 0.71 -0.56 0.00 0.00 175.26 174.85 3dbs s TYR 280 N 2.03 3.17 -0.65 5.30 1.51 -1.26 -0.57 117.35 126.88 3dbs s TYR 280 Ca 0.02 0.20 -0.17 0.00 -1.01 0.00 0.00 57.07 56.11 3dbs s TYR 280 Cb -0.15 -1.79 0.14 0.00 -0.11 0.00 0.00 41.96 40.05 3dbs s TYR 280 CO -0.07 0.48 0.70 -0.51 -1.11 0.00 0.00 175.55 175.04 3dbs s LEU 281 N -0.95 5.87 0.23 -1.29 1.02 0.35 -4.57 118.68 119.34 3dbs s LEU 281 Ca 0.14 -1.84 -0.19 0.00 0.02 0.00 0.00 54.13 52.26 3dbs s LEU 281 Cb -0.11 -2.27 0.03 0.00 0.02 0.00 0.00 46.19 43.86 3dbs s LEU 281 CO 0.03 -0.93 0.60 0.68 0.02 0.00 0.00 176.35 176.75 3dbs s VAL 282 N 1.87 0.01 0.00 -1.59 -7.23 -1.26 -4.10 120.40 108.09 3dbs s VAL 282 Ca 0.12 -0.82 0.00 0.00 -1.81 0.00 0.00 61.98 59.47 3dbs s VAL 282 Cb -0.21 -1.72 0.00 0.00 0.56 0.00 0.00 36.38 35.01 3dbs s VAL 282 CO 0.01 -0.05 0.00 0.61 -0.31 0.00 0.00 175.10 175.36 3dbs n GLY 283 N -0.39 -1.11 3.29 2.32 0.00 -1.26 -4.72 105.19 103.31 3dbs n GLY 283 Ca -0.08 -1.60 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 3dbs n GLY 283 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3dbs n GLU 284 N -0.89 2.79 -4.18 1.61 -0.58 -1.26 -4.55 120.64 113.57 3dbs n GLU 284 Ca 0.00 -2.88 -0.16 0.00 -0.42 0.00 0.00 57.16 53.70 3dbs n GLU 284 Cb 0.00 -3.42 -0.13 0.00 -0.57 0.00 0.00 31.44 27.32 3dbs n GLU 284 CO 0.00 0.00 0.00 0.99 -0.48 0.00 0.00 177.13 177.64 3dbs s THR 285 N 4.77 0.72 0.74 2.62 2.01 -1.26 -5.13 115.64 120.11 3dbs s THR 285 Ca 0.54 -0.87 -0.15 0.00 0.31 0.00 0.00 61.69 61.51 3dbs s THR 285 Cb 0.07 -0.70 0.05 0.00 0.01 0.00 0.00 72.50 71.93 3dbs s THR 285 CO 0.04 -0.14 1.22 -2.84 -0.69 0.00 0.00 174.62 172.21 3dbs s PRO 286 N -1.13 2.02 0.33 4.92 0.02 -1.26 -4.24 135.00 135.66 3dbs s PRO 286 Ca -0.03 1.82 0.14 0.00 0.02 0.00 0.00 61.00 62.95 3dbs s PRO 286 Cb -0.08 -1.81 0.54 0.00 0.02 0.00 0.00 34.50 33.18 3dbs s PRO 286 CO 0.01 -1.94 1.69 -0.84 -0.33 0.00 0.00 177.00 175.59 3dbs h ILE 287 N -0.37 1.20 -1.00 2.83 3.07 -1.35 -2.45 117.51 119.45 3dbs h ILE 287 Ca -0.48 -1.76 0.24 0.00 1.55 0.00 0.00 64.86 64.42 3dbs h ILE 287 Cb 1.30 1.99 -0.08 0.00 -0.27 0.00 0.00 36.82 39.76 3dbs h ILE 287 CO 0.49 0.48 0.65 0.07 -1.05 0.00 0.00 178.15 178.78 3dbs h LYS 288 N 0.00 0.41 -0.53 0.16 2.10 -1.79 -2.35 116.57 114.57 3dbs h LYS 288 Ca -0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 3dbs h LYS 288 Cb 0.95 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 3dbs h LYS 288 CO 0.06 0.27 0.00 0.09 -2.00 0.00 0.00 179.45 177.87 3dbs n ASN 289 N -4.59 2.84 -4.77 7.07 4.13 -0.92 -4.65 115.26 114.37 3dbs n ASN 289 Ca 0.23 -2.03 -0.38 0.00 1.68 0.00 0.00 54.58 54.08 3dbs n ASN 289 Cb 0.80 -0.36 -0.06 0.00 -1.54 0.00 0.00 39.78 38.62 3dbs n ASN 289 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3dbs s PHE 290 N -1.36 3.60 0.29 3.10 0.40 -0.89 -1.11 117.98 122.01 3dbs s PHE 290 Ca 0.35 0.90 -0.00 0.00 -0.60 0.00 0.00 56.93 57.58 3dbs s PHE 290 Cb 0.19 -2.42 0.43 0.00 0.51 0.00 0.00 43.02 41.72 3dbs s PHE 290 CO 0.23 0.37 1.82 1.96 0.70 0.00 0.00 175.22 180.30 3dbs h GLN 291 N 5.88 0.74 -0.17 0.44 1.08 -1.76 -2.32 115.11 119.00 3dbs h GLN 291 Ca -0.45 -0.17 -0.03 0.00 -1.45 0.00 0.00 58.65 56.55 3dbs h GLN 291 Cb 1.19 -0.10 -0.01 0.00 -0.05 0.00 0.00 27.48 28.51 3dbs h GLN 291 CO 0.70 0.71 -0.03 2.35 -0.95 0.00 0.00 178.83 181.61 3dbs h TRP 292 N 0.71 0.25 0.13 2.96 2.91 -1.95 -1.25 115.95 119.71 3dbs h TRP 292 Ca 0.15 -0.01 -0.30 0.00 1.13 0.00 0.00 58.89 59.85 3dbs h TRP 292 Cb 0.35 -0.08 0.03 0.00 -0.51 0.00 0.00 29.16 28.95 3dbs h TRP 292 CO 0.02 0.29 -1.26 0.28 -1.03 0.00 0.00 178.44 176.73 3dbs h VAL 293 N 0.24 1.29 -0.13 2.65 2.07 -1.73 -2.47 116.25 118.18 3dbs h VAL 293 Ca 0.06 -2.50 -0.06 0.00 0.82 0.00 0.00 66.70 65.02 3dbs h VAL 293 Cb 0.22 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.70 3dbs h VAL 293 CO 0.01 0.76 -0.18 0.03 0.02 0.00 0.00 177.57 178.20 3dbs h ARG 294 N 0.26 0.22 -0.35 1.57 3.08 -1.08 -2.19 114.38 115.89 3dbs h ARG 294 Ca -0.19 -0.06 -0.16 0.00 0.07 0.00 0.00 59.98 59.64 3dbs h ARG 294 Cb 1.93 -0.03 -0.00 0.00 0.08 0.00 0.00 29.97 31.95 3dbs h ARG 294 CO 0.24 0.41 -0.41 1.25 -1.07 0.00 0.00 179.97 180.38 3dbs h HIS 295 N 0.21 1.09 -0.22 3.04 2.76 -1.15 -1.87 115.15 119.01 3dbs h HIS 295 Ca 0.04 -0.34 -0.07 0.00 -2.20 0.00 0.00 60.37 57.79 3dbs h HIS 295 Cb 0.45 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 29.18 3dbs h HIS 295 CO 0.01 1.17 -0.15 0.00 -1.30 0.00 0.00 177.93 177.66 3dbs h LEU 297 N 0.19 0.71 -1.05 0.00 3.38 -1.44 -1.38 115.31 115.71 3dbs h LEU 297 Ca 0.04 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.92 3dbs h LEU 297 Cb 0.67 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 3dbs h LEU 297 CO 0.04 0.47 -0.36 0.50 0.09 0.00 0.00 178.44 179.18 3dbs h LYS 298 N 0.82 0.20 0.00 1.13 3.64 -1.04 -3.26 116.57 118.06 3dbs h LYS 298 Ca 0.31 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3dbs h LYS 298 Cb 0.20 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.01 3dbs h LYS 298 CO -0.10 0.54 -1.49 0.09 -2.27 0.00 0.00 179.45 176.22 3dbs n ASN 299 N -4.07 0.42 0.00 4.20 3.02 -1.05 -4.96 115.26 112.83 3dbs n ASN 299 Ca -0.01 0.12 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3dbs n ASN 299 Cb 0.44 1.23 0.00 0.00 -0.61 0.00 0.00 39.78 40.84 3dbs n ASN 299 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3dbs n GLY 300 N 1.24 0.69 3.92 7.41 0.00 -0.97 -5.09 105.19 112.39 3dbs n GLY 300 Ca -0.02 -0.38 -0.26 0.00 0.00 0.00 0.00 46.02 45.36 3dbs n GLY 300 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dbs s GLU 301 N -0.86 3.54 -0.13 1.61 2.02 -0.56 -5.04 118.70 119.29 3dbs s GLU 301 Ca 0.00 0.01 -0.02 0.00 0.02 0.00 0.00 54.97 54.97 3dbs s GLU 301 Cb 0.00 -2.50 -0.03 0.00 0.10 0.00 0.00 34.13 31.70 3dbs s GLU 301 CO 0.00 -0.04 -0.05 -1.21 0.02 0.00 0.00 175.26 173.99 3dbs s GLU 302 N -4.44 3.38 -0.20 1.61 2.02 -1.26 -4.22 118.70 115.58 3dbs s GLU 302 Ca 0.45 -0.52 -0.29 0.00 0.02 0.00 0.00 54.97 54.62 3dbs s GLU 302 Cb -0.10 -2.81 -0.04 0.00 0.10 0.00 0.00 34.13 31.28 3dbs s GLU 302 CO 0.40 0.39 1.80 0.42 0.02 0.00 0.00 175.26 178.29 3dbs s ILE 303 N -0.04 3.44 -0.02 -1.63 1.09 -1.23 -4.98 121.20 117.83 3dbs s ILE 303 Ca 0.01 0.49 0.04 0.00 -1.10 0.00 0.00 60.65 60.08 3dbs s ILE 303 Cb -0.13 -3.47 -0.03 0.00 -1.06 0.00 0.00 42.46 37.77 3dbs s ILE 303 CO 0.03 -0.22 -0.11 -1.00 -0.10 0.00 0.00 174.94 173.54 3dbs s HIS 304 N 5.92 2.78 -0.16 3.97 3.76 -1.26 -1.77 115.29 128.54 3dbs s HIS 304 Ca 0.80 -0.10 -0.12 0.00 -0.15 0.00 0.00 55.06 55.49 3dbs s HIS 304 Cb -0.29 -1.61 0.05 0.00 1.11 0.00 0.00 32.58 31.84 3dbs s HIS 304 CO 0.33 0.29 0.40 0.08 -0.85 0.00 0.00 174.74 174.99 3dbs s VAL 305 N -0.87 -0.01 0.13 -0.90 1.01 -0.71 -2.83 120.40 116.22 3dbs s VAL 305 Ca 0.14 0.03 0.06 0.00 0.00 0.00 0.00 61.98 62.22 3dbs s VAL 305 Cb -0.11 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.66 3dbs s VAL 305 CO 0.04 0.01 0.00 0.54 0.00 0.00 0.00 175.10 175.70 3dbs s VAL 306 N 0.62 3.88 -0.36 2.92 0.11 0.04 -0.59 120.40 127.03 3dbs s VAL 306 Ca -0.03 -1.20 -0.11 0.00 -2.93 0.00 0.00 61.98 57.71 3dbs s VAL 306 Cb -0.05 -2.90 0.02 0.00 -1.53 0.00 0.00 36.38 31.92 3dbs s VAL 306 CO -0.04 0.00 0.21 -0.22 -3.33 0.00 0.00 175.10 171.72 3dbs s LEU 307 N -2.63 4.60 0.32 2.54 2.96 -1.12 -2.15 118.68 123.20 3dbs s LEU 307 Ca 0.26 -0.83 0.02 0.00 -0.22 0.00 0.00 54.13 53.37 3dbs s LEU 307 Cb -0.11 -2.04 -0.02 0.00 0.50 0.00 0.00 46.19 44.53 3dbs s LEU 307 CO 0.18 -0.34 0.35 1.51 -1.32 0.00 0.00 176.35 176.74 3dbs s ASP 308 N 1.59 1.19 0.08 3.68 1.47 -1.19 -4.94 116.67 118.55 3dbs s ASP 308 Ca 0.03 -1.60 -0.30 0.00 1.18 0.00 0.00 52.55 51.86 3dbs s ASP 308 Cb -0.18 0.59 -0.05 0.00 -0.34 0.00 0.00 42.92 42.93 3dbs s ASP 308 CO 0.07 -1.15 1.07 -0.89 0.68 0.00 0.00 175.17 174.96 3dbs s THR 309 N -3.35 4.32 0.35 2.11 2.01 -1.26 -2.40 115.64 117.42 3dbs s THR 309 Ca 0.36 1.77 -0.24 0.00 0.31 0.00 0.00 61.69 63.89 3dbs s THR 309 Cb 0.02 -4.13 -0.14 0.00 0.01 0.00 0.00 72.50 68.25 3dbs s THR 309 CO 0.23 0.20 0.56 -2.65 -0.69 0.00 0.00 174.62 172.26 3dbs n PRO 310 N 3.36 0.51 -2.25 4.92 -0.02 -1.26 -4.90 135.00 135.34 3dbs n PRO 310 Ca 0.05 0.18 -0.39 0.00 -2.02 0.00 0.00 63.50 61.32 3dbs n PRO 310 Cb 0.48 -1.39 -0.02 0.00 -0.02 0.00 0.00 33.50 32.55 3dbs n PRO 310 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3dbs s PRO 311 N -1.38 4.18 0.02 0.52 0.04 -1.26 -4.94 135.00 132.18 3dbs s PRO 311 Ca 0.62 1.95 -0.30 0.00 0.04 0.00 0.00 61.00 63.30 3dbs s PRO 311 Cb -0.69 -2.83 -0.05 0.00 0.04 0.00 0.00 34.50 30.96 3dbs s PRO 311 CO 0.59 -0.24 1.28 0.34 0.04 0.00 0.00 177.00 179.01 3dbs s ASP 312 N -0.92 6.97 0.55 6.66 3.68 -1.26 -4.93 116.67 127.42 3dbs s ASP 312 Ca 0.54 2.03 0.27 0.00 2.13 0.00 0.00 52.55 57.52 3dbs s ASP 312 Cb -0.34 -2.57 1.45 0.00 -1.45 0.00 0.00 42.92 40.01 3dbs s ASP 312 CO 0.43 -0.60 1.97 -0.65 0.13 0.00 0.00 175.17 176.45 3dbs h PRO 313 N 7.30 0.00 -0.98 4.34 0.11 -1.92 -2.85 132.00 138.00 3dbs h PRO 313 Ca -0.39 0.00 0.28 0.00 0.11 0.00 0.00 66.00 66.01 3dbs h PRO 313 Cb 1.19 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.26 3dbs h PRO 313 CO 0.86 0.00 0.74 0.00 -0.21 0.00 0.00 178.00 179.40 3dbs h ALA 314 N 1.66 2.89 0.00 -0.75 0.00 -1.97 -1.77 119.26 119.33 3dbs h ALA 314 Ca 0.27 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3dbs h ALA 314 Cb 1.15 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3dbs h ALA 314 CO -0.00 -1.25 0.00 -0.07 0.00 0.00 0.00 179.25 177.93 3dbs h LEU 315 N 0.00 0.00 -1.23 0.00 3.38 -1.91 -2.96 115.31 112.58 3dbs h LEU 315 Ca 0.47 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.44 3dbs h LEU 315 Cb 1.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.70 3dbs h LEU 315 CO -0.00 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.00 3dbs n ASP 316 N -2.66 1.90 -4.77 -0.43 8.00 -0.66 -1.28 116.55 116.65 3dbs n ASP 316 Ca 0.04 -1.65 -0.40 0.00 0.71 0.00 0.00 54.79 53.49 3dbs n ASP 316 Cb 0.44 -0.03 0.01 0.00 -0.02 0.00 0.00 41.12 41.52 3dbs n ASP 316 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 3dbs s GLU 317 N -1.93 3.77 -0.07 -1.24 2.12 -1.12 -3.81 118.70 116.42 3dbs s GLU 317 Ca 0.35 2.46 -0.04 0.00 0.36 0.00 0.00 54.97 58.11 3dbs s GLU 317 Cb 0.20 -2.72 -0.04 0.00 0.26 0.00 0.00 34.13 31.83 3dbs s GLU 317 CO 0.31 -0.77 0.10 0.08 -0.54 0.00 0.00 175.26 174.45 3dbs s VAL 318 N -1.18 5.06 0.67 3.70 1.01 -1.26 -3.30 120.40 125.11 3dbs s VAL 318 Ca 0.59 -0.09 -0.15 0.00 0.00 0.00 0.00 61.98 62.34 3dbs s VAL 318 Cb -0.45 -3.24 0.01 0.00 0.00 0.00 0.00 36.38 32.70 3dbs s VAL 318 CO 0.58 0.51 1.12 -0.60 0.00 0.00 0.00 175.10 176.71 3dbs s ARG 319 N -1.30 2.70 0.15 2.72 3.52 -1.26 -4.95 118.95 120.53 3dbs s ARG 319 Ca 0.18 1.41 -0.32 0.00 -0.13 0.00 0.00 55.73 56.88 3dbs s ARG 319 Cb -0.12 -1.94 -0.12 0.00 -1.56 0.00 0.00 34.95 31.22 3dbs s ARG 319 CO 0.08 -1.34 1.78 1.63 -0.81 0.00 0.00 175.30 176.64 3dbs n LYS 320 N -2.51 2.72 -2.64 5.12 5.02 -1.26 -4.95 118.16 119.66 3dbs n LYS 320 Ca 0.11 0.98 -0.22 0.00 -2.02 0.00 0.00 58.31 57.16 3dbs n LYS 320 Cb 0.52 -2.85 0.07 0.00 -0.02 0.00 0.00 35.03 32.75 3dbs n LYS 320 CO 0.00 0.00 0.00 -1.21 -0.52 0.00 0.00 177.40 175.67 3dbs s GLU 321 N 2.04 2.13 0.33 1.97 2.02 -1.26 -5.20 118.70 120.73 3dbs s GLU 321 Ca 0.79 -0.99 0.03 0.00 0.02 0.00 0.00 54.97 54.83 3dbs s GLU 321 Cb -0.51 -2.42 -0.05 0.00 0.10 0.00 0.00 34.13 31.24 3dbs s GLU 321 CO 0.36 -1.06 0.10 -1.21 0.02 0.00 0.00 175.26 173.46 3dbs s GLU 322 N -4.93 1.66 0.00 1.61 0.41 -1.26 -5.28 118.70 110.91 3dbs s GLU 322 Ca 0.62 -1.94 0.00 0.00 -0.41 0.00 0.00 54.97 53.23 3dbs s GLU 322 Cb -0.08 -0.57 0.00 0.00 -1.78 0.00 0.00 34.13 31.70 3dbs s GLU 322 CO 0.41 -0.31 0.00 0.00 -0.49 0.00 0.00 175.26 174.87 3dbs n ASP 358 N 0.00 1.56 -4.72 0.00 10.43 -1.26 -3.06 116.55 119.50 3dbs n ASP 358 Ca 0.00 -1.33 -0.42 0.00 2.57 0.00 0.00 54.79 55.60 3dbs n ASP 358 Cb 0.00 0.10 -0.03 0.00 1.84 0.00 0.00 41.12 43.03 3dbs n ASP 358 CO 0.00 0.00 0.00 -1.14 -1.07 0.00 0.00 177.20 174.99 3dbs n ARG 359 N -0.02 2.72 -1.77 -1.24 3.00 -1.26 -4.78 116.66 113.31 3dbs n ARG 359 Ca 0.15 0.98 -0.39 0.00 -0.00 0.00 0.00 57.85 58.59 3dbs n ARG 359 Cb 0.39 -2.82 0.03 0.00 0.00 0.00 0.00 32.46 30.07 3dbs n ARG 359 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 3dbs s LYS 360 N 1.05 3.43 0.53 -0.14 1.02 -1.26 -2.26 119.74 122.11 3dbs s LYS 360 Ca 0.75 2.36 -0.21 0.00 0.02 0.00 0.00 55.97 58.89 3dbs s LYS 360 Cb -0.52 -2.48 -0.06 0.00 -0.52 0.00 0.00 37.83 34.25 3dbs s LYS 360 CO 0.34 -1.00 1.21 0.12 -0.92 0.00 0.00 175.35 175.10 3dbs s PHE 361 N -1.24 2.58 -0.08 3.18 5.36 -0.38 -4.82 117.98 122.58 3dbs s PHE 361 Ca 0.66 1.50 -0.21 0.00 -0.96 0.00 0.00 56.93 57.92 3dbs s PHE 361 Cb -0.43 -3.48 0.05 0.00 -0.34 0.00 0.00 43.02 38.82 3dbs s PHE 361 CO 0.53 -2.01 0.49 -0.98 -1.46 0.00 0.00 175.22 171.79 3dbs s ARG 362 N -3.01 0.77 -0.03 10.12 1.70 -1.26 -1.41 118.95 125.84 3dbs s ARG 362 Ca 0.71 0.23 0.01 0.00 -0.47 0.00 0.00 55.73 56.20 3dbs s ARG 362 Cb -0.31 0.36 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 3dbs s ARG 362 CO 0.36 -0.20 -0.04 0.54 -1.08 0.00 0.00 175.30 174.88 3dbs s VAL 363 N -0.80 0.43 -0.03 4.99 0.11 -1.14 -4.64 120.40 119.32 3dbs s VAL 363 Ca -0.09 -0.10 -0.26 0.00 -2.93 0.00 0.00 61.98 58.60 3dbs s VAL 363 Cb -0.03 -0.45 -0.04 0.00 -1.53 0.00 0.00 36.38 34.33 3dbs s VAL 363 CO 0.05 0.18 0.80 -0.75 -3.33 0.00 0.00 175.10 172.05 3dbs s LYS 364 N 0.68 4.49 -0.64 1.54 2.20 -1.00 -1.58 119.74 125.42 3dbs s LYS 364 Ca -0.08 1.08 -0.14 0.00 -0.36 0.00 0.00 55.97 56.47 3dbs s LYS 364 Cb -0.11 -3.44 0.16 0.00 -1.51 0.00 0.00 37.83 32.93 3dbs s LYS 364 CO -0.00 0.05 0.58 0.42 -0.36 0.00 0.00 175.35 176.04 3dbs s ILE 365 N 0.78 5.19 0.23 5.43 -1.09 -0.03 -2.29 121.20 129.42 3dbs s ILE 365 Ca 0.42 -1.95 -0.07 0.00 -2.23 0.00 0.00 60.65 56.82 3dbs s ILE 365 Cb -0.19 -4.29 0.21 0.00 -1.58 0.00 0.00 42.46 36.61 3dbs s ILE 365 CO 0.22 -0.92 1.89 0.03 -1.23 0.00 0.00 174.94 174.93 3dbs h ARG 366 N 8.36 1.08 0.00 2.79 3.08 -0.96 -2.21 114.38 126.51 3dbs h ARG 366 Ca -0.13 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.86 3dbs h ARG 366 Cb 1.07 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.88 3dbs h ARG 366 CO 0.90 0.72 0.00 0.41 -1.07 0.00 0.00 179.97 180.93 3dbs n GLY 367 N -1.34 -0.66 3.34 0.04 0.00 -1.21 -2.77 105.19 102.60 3dbs n GLY 367 Ca 0.10 -1.63 -0.18 0.00 0.00 0.00 0.00 46.02 44.31 3dbs n GLY 367 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3dbs s ILE 368 N -1.77 1.30 -0.10 -0.61 -4.36 -0.04 -1.30 121.20 114.32 3dbs s ILE 368 Ca 0.00 -2.09 -0.20 0.00 -0.26 0.00 0.00 60.65 58.10 3dbs s ILE 368 Cb 0.00 -2.21 0.05 0.00 1.25 0.00 0.00 42.46 41.54 3dbs s ILE 368 CO 0.00 -0.45 0.49 -0.62 0.24 0.00 0.00 174.94 174.60 3dbs s ASP 369 N -3.31 -0.46 -0.24 4.36 2.15 -0.57 -1.95 116.67 116.65 3dbs s ASP 369 Ca 0.25 0.65 -0.09 0.00 0.43 0.00 0.00 52.55 53.79 3dbs s ASP 369 Cb 0.04 0.69 0.10 0.00 -0.30 0.00 0.00 42.92 43.44 3dbs s ASP 369 CO 0.07 -0.37 0.53 -0.51 -0.17 0.00 0.00 175.17 174.73 3dbs s ILE 370 N -0.60 -0.65 0.23 4.11 2.07 -0.60 -1.09 121.20 124.68 3dbs s ILE 370 Ca -0.07 0.08 -0.07 0.00 -1.41 0.00 0.00 60.65 59.19 3dbs s ILE 370 Cb -0.03 -0.82 0.21 0.00 0.13 0.00 0.00 42.46 41.95 3dbs s ILE 370 CO 0.04 0.03 1.69 -0.65 -1.91 0.00 0.00 174.94 174.15 3dbs h PRO 371 N 7.88 0.26 -3.03 3.50 0.11 -1.84 -3.42 132.00 135.46 3dbs h PRO 371 Ca -0.20 -0.02 -0.16 0.00 0.11 0.00 0.00 66.00 65.73 3dbs h PRO 371 Cb 1.13 -0.06 -0.27 0.00 0.11 0.00 0.00 31.00 31.91 3dbs h PRO 371 CO 0.13 0.17 -0.41 0.14 -0.21 0.00 0.00 178.00 177.82 3dbs s VAL 372 N -6.07 -0.01 -0.06 3.15 -7.23 -1.26 -5.03 120.40 103.90 3dbs s VAL 372 Ca -0.13 0.04 0.06 0.00 -1.81 0.00 0.00 61.98 60.15 3dbs s VAL 372 Cb 0.20 -0.40 -0.09 0.00 0.56 0.00 0.00 36.38 36.65 3dbs s VAL 372 CO 0.75 0.02 0.05 0.00 -0.31 0.00 0.00 175.10 175.61 3dbs n LEU 373 N 3.34 0.00 -2.60 1.32 -0.00 -1.26 -5.06 117.00 112.74 3dbs n LEU 373 Ca -0.17 0.00 -0.32 0.00 -0.00 0.00 0.00 56.01 55.52 3dbs n LEU 373 Cb 0.57 0.14 -0.04 0.00 -0.00 0.00 0.00 43.42 44.09 3dbs n LEU 373 CO 0.16 0.14 0.20 -2.65 -0.00 0.00 0.00 177.39 175.24 3dbs n PRO 374 N -2.16 0.00 0.00 1.47 -0.02 -1.26 -4.98 135.00 128.05 3dbs n PRO 374 Ca -0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.39 3dbs n PRO 374 Cb 0.62 -0.76 0.00 0.00 -0.02 0.00 0.00 33.50 33.34 3dbs n PRO 374 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3dbs n ARG 375 N 0.76 0.00 0.00 -0.52 3.00 -1.26 -5.11 116.66 113.53 3dbs n ARG 375 Ca 0.11 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.95 3dbs n ARG 375 Cb 0.08 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.54 3dbs n ARG 375 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.63 175.92 3dbs n ASN 376 N -2.06 0.00 -4.32 0.55 2.85 -1.26 -5.15 115.26 105.87 3dbs n ASN 376 Ca 0.00 0.00 -0.27 0.00 -0.11 0.00 0.00 54.58 54.20 3dbs n ASN 376 Cb 0.00 0.18 -0.13 0.00 1.24 0.00 0.00 39.78 41.06 3dbs n ASN 376 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 3dbs s THR 377 N -1.62 1.97 0.17 -0.44 2.01 -1.26 -5.14 115.64 111.33 3dbs s THR 377 Ca 0.00 -1.51 -0.23 0.00 0.31 0.00 0.00 61.69 60.26 3dbs s THR 377 Cb 0.00 -1.73 -0.08 0.00 0.01 0.00 0.00 72.50 70.70 3dbs s THR 377 CO 0.00 0.13 0.74 1.51 -0.69 0.00 0.00 174.62 176.31 3dbs s ASP 378 N -1.66 7.25 0.00 3.53 1.47 -1.26 -5.08 116.67 120.92 3dbs s ASP 378 Ca 0.10 1.53 0.00 0.00 1.18 0.00 0.00 52.55 55.37 3dbs s ASP 378 Cb -0.10 -2.46 0.00 0.00 -0.34 0.00 0.00 42.92 40.02 3dbs s ASP 378 CO 0.04 0.17 0.00 -0.11 0.68 0.00 0.00 175.17 175.95 3dbs n LEU 379 N 1.36 0.00 -4.77 2.11 0.00 -1.26 -5.08 117.00 109.36 3dbs n LEU 379 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 56.01 55.73 3dbs n LEU 379 Cb 0.50 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.86 3dbs n LEU 379 CO 0.45 0.00 -0.15 0.28 0.00 0.00 0.00 177.39 177.97 3dbs s THR 380 N -0.18 2.92 -0.16 1.96 -1.32 -1.26 -3.07 115.64 114.52 3dbs s THR 380 Ca 0.00 -1.60 -0.14 0.00 -1.21 0.00 0.00 61.69 58.75 3dbs s THR 380 Cb 0.00 -3.01 0.05 0.00 -1.51 0.00 0.00 72.50 68.02 3dbs s THR 380 CO 0.00 -0.12 0.43 -0.69 -2.21 0.00 0.00 174.62 172.02 3dbs s VAL 381 N -2.45 -0.01 0.05 5.08 1.01 -0.03 -4.32 120.40 119.74 3dbs s VAL 381 Ca 0.40 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.41 3dbs s VAL 381 Cb -0.02 -0.61 -0.03 0.00 0.00 0.00 0.00 36.38 35.72 3dbs s VAL 381 CO 0.24 0.01 -0.04 0.72 0.00 0.00 0.00 175.10 176.03 3dbs s PHE 382 N 0.53 0.55 -0.19 5.22 -0.71 -0.82 -1.24 117.98 121.32 3dbs s PHE 382 Ca -0.02 -0.84 -0.08 0.00 -1.04 0.00 0.00 56.93 54.95 3dbs s PHE 382 Cb -0.04 -0.37 -0.04 0.00 -1.21 0.00 0.00 43.02 41.36 3dbs s PHE 382 CO -0.03 -0.25 0.07 0.08 -1.34 0.00 0.00 175.22 173.75 3dbs s VAL 383 N -2.95 4.80 -0.22 -2.49 1.01 -1.26 -2.24 120.40 117.06 3dbs s VAL 383 Ca 0.00 -0.03 -0.04 0.00 0.00 0.00 0.00 61.98 61.92 3dbs s VAL 383 Cb 0.01 -3.18 -0.01 0.00 0.00 0.00 0.00 36.38 33.20 3dbs s VAL 383 CO -0.05 0.44 -0.03 -0.70 0.00 0.00 0.00 175.10 174.76 3dbs s GLU 384 N 0.53 3.45 -0.23 2.72 2.12 0.84 -1.82 118.70 126.32 3dbs s GLU 384 Ca 0.04 -0.59 -0.08 0.00 0.36 0.00 0.00 54.97 54.69 3dbs s GLU 384 Cb -0.13 -3.04 -0.04 0.00 0.26 0.00 0.00 34.13 31.19 3dbs s GLU 384 CO 0.01 -0.15 0.08 0.00 -0.54 0.00 0.00 175.26 174.67 3dbs s ALA 385 N 1.37 3.31 -0.14 6.30 0.00 -0.82 -1.10 121.76 130.68 3dbs s ALA 385 Ca 0.04 -0.97 0.01 0.00 0.00 0.00 0.00 51.96 51.05 3dbs s ALA 385 Cb -0.14 -2.07 -0.00 0.00 0.00 0.00 0.00 23.12 20.90 3dbs s ALA 385 CO -0.01 -0.22 -0.17 -0.80 0.00 0.00 0.00 175.76 174.55 3dbs s ASN 386 N 1.12 3.53 -0.23 0.00 0.01 -0.42 -2.25 114.94 116.70 3dbs s ASN 386 Ca 0.05 -0.49 -0.28 0.00 -0.71 0.00 0.00 52.86 51.44 3dbs s ASN 386 Cb -0.14 -1.53 0.00 0.00 0.41 0.00 0.00 41.25 40.00 3dbs s ASN 386 CO 0.04 0.11 0.97 -0.63 -1.51 0.00 0.00 177.10 176.08 3dbs s ILE 387 N 0.68 4.73 0.09 0.60 -1.09 -0.59 -0.13 121.20 125.49 3dbs s ILE 387 Ca -0.08 1.89 0.08 0.00 -2.23 0.00 0.00 60.65 60.31 3dbs s ILE 387 Cb -0.16 -4.25 -0.03 0.00 -1.58 0.00 0.00 42.46 36.44 3dbs s ILE 387 CO 0.02 -0.14 -0.22 -1.58 -1.23 0.00 0.00 174.94 171.79 3dbs s GLN 388 N 3.06 1.25 -0.26 2.79 0.74 0.04 -1.14 119.66 126.14 3dbs s GLN 388 Ca 0.41 -1.12 -0.01 0.00 0.05 0.00 0.00 55.36 54.69 3dbs s GLN 388 Cb -0.15 -1.50 0.14 0.00 1.10 0.00 0.00 33.01 32.61 3dbs s GLN 388 CO 0.07 0.36 0.40 -1.58 -0.55 0.00 0.00 175.29 173.99 3dbs s HIS 389 N -1.04 -0.92 -1.19 1.67 2.46 0.10 -0.94 115.29 115.43 3dbs s HIS 389 Ca 0.08 0.74 -0.05 0.00 0.47 0.00 0.00 55.06 56.30 3dbs s HIS 389 Cb -0.10 0.00 -0.02 0.00 -0.13 0.00 0.00 32.58 32.34 3dbs s HIS 389 CO 0.04 -0.81 0.84 0.41 -2.47 0.00 0.00 174.74 172.75 3dbs n GLY 390 N 5.37 -0.63 2.69 1.59 0.00 -1.26 -1.84 105.19 111.11 3dbs n GLY 390 Ca -0.02 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.21 3dbs n GLY 390 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3dbs n GLN 391 N -3.96 -1.47 -3.75 1.61 1.13 -1.25 -4.44 117.38 105.26 3dbs n GLN 391 Ca -0.21 0.70 -0.37 0.00 -1.94 0.00 0.00 57.00 55.19 3dbs n GLN 391 Cb 0.65 -4.94 -0.12 0.00 0.11 0.00 0.00 30.24 25.94 3dbs n GLN 391 CO 0.00 0.00 0.00 -1.14 -1.44 0.00 0.00 177.06 174.48 3dbs s GLN 392 N -2.40 3.65 -0.35 -1.09 0.74 -0.77 -5.07 119.66 114.37 3dbs s GLN 392 Ca 0.00 -0.48 -0.29 0.00 0.05 0.00 0.00 55.36 54.64 3dbs s GLN 392 Cb 0.00 -3.34 0.02 0.00 1.10 0.00 0.00 33.01 30.78 3dbs s GLN 392 CO 0.00 -0.20 1.14 0.14 -0.55 0.00 0.00 175.29 175.82 3dbs s VAL 393 N 1.62 4.37 0.10 1.34 -7.23 -1.26 -0.72 120.40 118.62 3dbs s VAL 393 Ca 0.06 1.55 0.03 0.00 -1.81 0.00 0.00 61.98 61.81 3dbs s VAL 393 Cb -0.15 -4.40 -0.24 0.00 0.56 0.00 0.00 36.38 32.15 3dbs s VAL 393 CO 0.04 -0.58 1.20 -0.07 -0.31 0.00 0.00 175.10 175.38 3dbs h LEU 394 N 10.47 0.15 -7.00 1.32 3.38 -1.49 -3.48 115.31 118.66 3dbs h LEU 394 Ca -0.22 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 3dbs h LEU 394 Cb 1.07 -0.05 -0.20 0.00 0.09 0.00 0.00 40.66 41.57 3dbs h LEU 394 CO 1.05 1.13 0.32 0.00 0.09 0.00 0.00 178.44 181.03 3dbs s GLN 396 N -1.34 0.34 0.36 0.00 0.74 -1.26 -1.54 119.66 116.96 3dbs s GLN 396 Ca -0.07 0.83 0.08 0.00 0.05 0.00 0.00 55.36 56.25 3dbs s GLN 396 Cb -0.00 0.01 -0.04 0.00 1.10 0.00 0.00 33.01 34.08 3dbs s GLN 396 CO 0.06 -0.42 0.21 1.03 -0.55 0.00 0.00 175.29 175.61 3dbs s ARG 397 N 2.60 2.44 0.04 1.67 1.81 -0.95 -5.01 118.95 121.54 3dbs s ARG 397 Ca 0.05 -1.53 0.00 0.00 -1.72 0.00 0.00 55.73 52.53 3dbs s ARG 397 Cb -0.14 -2.24 -0.03 0.00 -0.45 0.00 0.00 34.95 32.10 3dbs s ARG 397 CO -0.14 0.04 -0.04 0.50 -0.68 0.00 0.00 175.30 174.97 3dbs s ARG 398 N -3.92 0.49 0.51 3.54 3.52 -1.26 -1.94 118.95 119.88 3dbs s ARG 398 Ca 0.40 -0.89 -0.06 0.00 -0.13 0.00 0.00 55.73 55.05 3dbs s ARG 398 Cb -0.02 0.04 -0.04 0.00 -1.56 0.00 0.00 34.95 33.37 3dbs s ARG 398 CO 0.24 -0.05 0.84 0.95 -0.81 0.00 0.00 175.30 176.47 3dbs s THR 399 N -2.40 4.84 0.70 4.11 -4.23 -0.76 -5.02 115.64 112.88 3dbs s THR 399 Ca -0.05 0.34 -0.16 0.00 -1.18 0.00 0.00 61.69 60.63 3dbs s THR 399 Cb -0.03 -3.86 -0.02 0.00 1.34 0.00 0.00 72.50 69.93 3dbs s THR 399 CO -0.04 -0.91 0.81 -1.54 -0.54 0.00 0.00 174.62 172.40 3dbs n SER 400 N -2.37 -0.09 -4.87 3.99 3.41 -1.26 -4.73 113.62 107.70 3dbs n SER 400 Ca 0.02 0.67 -0.31 0.00 -0.26 0.00 0.00 58.87 58.99 3dbs n SER 400 Cb 0.55 -1.33 0.02 0.00 -0.26 0.00 0.00 64.21 63.19 3dbs n SER 400 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3dbs s PRO 401 N -3.01 3.43 0.16 4.33 0.04 -1.26 -4.71 135.00 133.98 3dbs s PRO 401 Ca 0.71 0.68 -0.14 0.00 0.04 0.00 0.00 61.00 62.29 3dbs s PRO 401 Cb -0.36 -2.07 0.02 0.00 0.04 0.00 0.00 34.50 32.13 3dbs s PRO 401 CO 0.52 -0.67 0.40 0.15 0.04 0.00 0.00 177.00 177.44 3dbs s LYS 402 N -5.22 1.18 0.36 4.56 1.02 -0.38 -4.96 119.74 116.31 3dbs s LYS 402 Ca 0.56 -0.89 -0.28 0.00 0.02 0.00 0.00 55.97 55.38 3dbs s LYS 402 Cb -0.11 0.46 -0.10 0.00 -0.52 0.00 0.00 37.83 37.56 3dbs s LYS 402 CO 0.53 -0.47 1.35 -2.14 -0.92 0.00 0.00 175.35 173.71 3dbs s PRO 403 N -3.87 4.22 -1.33 -1.68 0.02 -1.26 -0.85 135.00 130.24 3dbs s PRO 403 Ca 0.08 2.29 -0.09 0.00 0.02 0.00 0.00 61.00 63.31 3dbs s PRO 403 Cb 0.01 -2.98 0.12 0.00 0.02 0.00 0.00 34.50 31.68 3dbs s PRO 403 CO -0.06 -0.33 2.13 0.34 -0.33 0.00 0.00 177.00 178.75 3dbs n PHE 404 N 0.58 2.84 -1.50 6.54 7.35 -1.17 -4.81 117.46 127.29 3dbs n PHE 404 Ca 0.01 -2.83 -0.29 0.00 -0.76 0.00 0.00 57.45 53.57 3dbs n PHE 404 Cb 0.41 -2.01 0.18 0.00 0.35 0.00 0.00 39.48 38.42 3dbs n PHE 404 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3dbs s THR 405 N 0.30 1.88 0.29 -2.13 -4.23 -1.26 -4.88 115.64 105.62 3dbs s THR 405 Ca 0.47 0.00 0.36 0.00 -1.18 0.00 0.00 61.69 61.34 3dbs s THR 405 Cb 0.13 -2.74 0.39 0.00 1.34 0.00 0.00 72.50 71.63 3dbs s THR 405 CO -0.04 0.00 2.10 -0.33 -0.54 0.00 0.00 174.62 175.81 3dbs h GLU 406 N -1.87 0.00 -5.24 3.99 5.08 -1.92 -3.39 114.58 111.22 3dbs h GLU 406 Ca -0.47 0.00 -0.53 0.00 -1.00 0.00 0.00 59.36 57.36 3dbs h GLU 406 Cb 1.29 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 30.24 3dbs h GLU 406 CO 0.47 0.02 -0.83 -2.00 -1.00 0.00 0.00 179.01 175.67 3dbs s GLU 407 N -3.85 1.52 -0.08 2.33 2.12 -1.26 -1.55 118.70 117.92 3dbs s GLU 407 Ca -0.01 -0.55 -0.02 0.00 0.36 0.00 0.00 54.97 54.75 3dbs s GLU 407 Cb 0.10 -1.37 0.04 0.00 0.26 0.00 0.00 34.13 33.16 3dbs s GLU 407 CO 0.51 0.25 0.03 0.08 -0.54 0.00 0.00 175.26 175.60 3dbs s VAL 408 N -0.05 0.17 -0.16 3.70 1.01 -0.82 -5.00 120.40 119.25 3dbs s VAL 408 Ca -0.01 0.13 -0.01 0.00 0.00 0.00 0.00 61.98 62.09 3dbs s VAL 408 Cb -0.10 -0.45 -0.01 0.00 0.00 0.00 0.00 36.38 35.82 3dbs s VAL 408 CO 0.01 0.13 -0.11 -0.76 0.00 0.00 0.00 175.10 174.37 3dbs s LEU 409 N 2.05 2.73 -0.22 3.92 1.43 -1.26 -0.86 118.68 126.47 3dbs s LEU 409 Ca 0.04 -0.37 -0.01 0.00 -1.03 0.00 0.00 54.13 52.77 3dbs s LEU 409 Cb -0.13 -1.64 -0.13 0.00 0.03 0.00 0.00 46.19 44.32 3dbs s LEU 409 CO -0.05 0.10 -0.21 0.79 0.23 0.00 0.00 176.35 177.21 3dbs n TRP 410 N 3.97 0.00 -2.13 0.29 8.01 -1.11 -4.97 117.44 121.50 3dbs n TRP 410 Ca -0.18 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 55.80 3dbs n TRP 410 Cb 0.52 -0.82 -0.04 0.00 -2.01 0.00 0.00 31.31 28.96 3dbs n TRP 410 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.69 174.97 3dbs n ASN 411 N -3.27 -5.74 -4.82 -0.99 5.15 -0.85 -4.97 115.26 99.77 3dbs n ASN 411 Ca -0.39 0.16 -0.37 0.00 -0.60 0.00 0.00 54.58 53.37 3dbs n ASN 411 Cb 0.89 -4.85 -0.06 0.00 -0.53 0.00 0.00 39.78 35.22 3dbs n ASN 411 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3dbs s VAL 412 N -2.94 5.26 -0.01 3.44 1.01 -1.12 -4.87 120.40 121.18 3dbs s VAL 412 Ca 0.00 0.55 -0.28 0.00 0.00 0.00 0.00 61.98 62.25 3dbs s VAL 412 Cb 0.00 -3.59 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 3dbs s VAL 412 CO 0.00 0.54 0.90 0.26 0.00 0.00 0.00 175.10 176.80 3dbs s TRP 413 N -0.65 3.65 -0.46 5.22 0.52 -1.26 -0.85 118.94 125.11 3dbs s TRP 413 Ca 0.19 1.58 -0.11 0.00 0.02 0.00 0.00 56.10 57.78 3dbs s TRP 413 Cb -0.14 -3.02 0.10 0.00 -1.15 0.00 0.00 33.47 29.25 3dbs s TRP 413 CO 0.08 0.04 0.33 -0.51 0.02 0.00 0.00 176.95 176.91 3dbs s LEU 414 N 0.86 5.51 -0.10 2.99 1.43 -0.61 -4.99 118.68 123.77 3dbs s LEU 414 Ca 0.47 -1.64 -0.29 0.00 -1.03 0.00 0.00 54.13 51.64 3dbs s LEU 414 Cb -0.20 -2.05 -0.01 0.00 0.03 0.00 0.00 46.19 43.95 3dbs s LEU 414 CO 0.25 -0.64 0.99 -0.70 0.23 0.00 0.00 176.35 176.48 3dbs s GLU 415 N 1.46 4.43 0.44 1.70 2.12 -1.26 -2.89 118.70 124.69 3dbs s GLU 415 Ca 0.04 1.36 0.04 0.00 0.36 0.00 0.00 54.97 56.77 3dbs s GLU 415 Cb -0.25 -3.53 0.01 0.00 0.26 0.00 0.00 34.13 30.62 3dbs s GLU 415 CO 0.02 -0.28 0.62 -0.06 -0.54 0.00 0.00 175.26 175.02 3dbs s PHE 416 N 1.89 2.98 -0.06 5.30 0.40 -0.50 -4.95 117.98 123.04 3dbs s PHE 416 Ca 0.48 -0.12 -0.01 0.00 -0.60 0.00 0.00 56.93 56.68 3dbs s PHE 416 Cb -0.18 -2.38 -0.26 0.00 0.51 0.00 0.00 43.02 40.71 3dbs s PHE 416 CO 0.19 -0.44 0.62 0.66 0.70 0.00 0.00 175.22 176.95 3dbs h SER 417 N 0.49 0.31 -2.80 1.36 4.64 -1.97 -3.40 113.55 112.20 3dbs h SER 417 Ca -0.43 -0.58 -0.54 0.00 -0.47 0.00 0.00 61.79 59.77 3dbs h SER 417 Cb 1.27 -0.10 0.07 0.00 -0.31 0.00 0.00 62.40 63.33 3dbs h SER 417 CO 0.51 1.51 0.91 -0.38 -0.87 0.00 0.00 176.83 178.52 3dbs n ILE 418 N -3.37 0.39 -2.29 0.95 2.08 -1.26 -4.79 119.36 111.08 3dbs n ILE 418 Ca -0.23 -0.10 -0.31 0.00 0.56 0.00 0.00 62.75 62.68 3dbs n ILE 418 Cb 1.05 -1.88 -0.01 0.00 -0.75 0.00 0.00 39.64 38.05 3dbs n ILE 418 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3dbs s LYS 419 N 0.49 3.72 0.20 0.38 1.02 -1.26 -1.25 119.74 123.02 3dbs s LYS 419 Ca 0.72 0.68 -0.12 0.00 0.02 0.00 0.00 55.97 57.27 3dbs s LYS 419 Cb -0.54 -2.19 0.13 0.00 -0.52 0.00 0.00 37.83 34.71 3dbs s LYS 419 CO 0.39 -0.35 1.86 0.82 -0.92 0.00 0.00 175.35 177.15 3dbs h ILE 420 N 0.32 1.15 -0.08 2.17 1.08 -1.56 -2.20 117.51 118.40 3dbs h ILE 420 Ca -0.46 -0.30 -0.08 0.00 -0.39 0.00 0.00 64.86 63.63 3dbs h ILE 420 Cb 1.19 0.20 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 3dbs h ILE 420 CO 0.62 0.16 -0.33 0.11 -0.69 0.00 0.00 178.15 178.02 3dbs h LYS 421 N 0.88 0.15 0.00 2.37 1.79 -1.84 -2.22 116.57 117.69 3dbs h LYS 421 Ca 0.25 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.66 3dbs h LYS 421 Cb -0.08 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 3dbs h LYS 421 CO -0.06 0.47 0.00 -0.25 -1.08 0.00 0.00 179.45 178.52 3dbs n ASP 422 N -4.11 0.00 -4.70 0.86 8.00 -0.84 -4.70 116.55 111.06 3dbs n ASP 422 Ca -0.01 0.22 -0.42 0.00 0.71 0.00 0.00 54.79 55.28 3dbs n ASP 422 Cb 0.40 -0.38 -0.03 0.00 -0.02 0.00 0.00 41.12 41.09 3dbs n ASP 422 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 3dbs s LEU 423 N -2.76 4.34 0.11 0.64 1.43 -0.84 -4.16 118.68 117.45 3dbs s LEU 423 Ca 0.15 2.25 -0.17 0.00 -1.03 0.00 0.00 54.13 55.33 3dbs s LEU 423 Cb 0.13 -3.57 -0.07 0.00 0.03 0.00 0.00 46.19 42.71 3dbs s LEU 423 CO 0.33 -0.74 0.57 -2.16 0.23 0.00 0.00 176.35 174.59 3dbs s PRO 424 N 2.07 4.12 0.22 1.29 0.04 -1.26 -5.02 135.00 136.46 3dbs s PRO 424 Ca 0.66 0.66 -0.32 0.00 0.04 0.00 0.00 61.00 62.04 3dbs s PRO 424 Cb -0.35 -3.09 -0.13 0.00 0.04 0.00 0.00 34.50 30.97 3dbs s PRO 424 CO 0.29 0.56 1.55 1.17 0.04 0.00 0.00 177.00 180.60 3dbs n LYS 425 N 1.29 2.34 0.00 4.56 4.81 -1.26 -1.89 118.16 128.00 3dbs n LYS 425 Ca -0.08 0.84 0.00 0.00 -0.87 0.00 0.00 58.31 58.20 3dbs n LYS 425 Cb 0.51 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.98 3dbs n LYS 425 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3dbs n GLY 426 N 2.79 0.37 3.77 3.14 0.00 -1.26 -4.79 105.19 109.20 3dbs n GLY 426 Ca 0.13 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.75 3dbs n GLY 426 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dbs s ALA 427 N -2.10 3.35 -0.17 4.61 0.00 -0.79 -4.83 121.76 121.81 3dbs s ALA 427 Ca 0.00 1.12 -0.02 0.00 0.00 0.00 0.00 51.96 53.06 3dbs s ALA 427 Cb 0.00 -3.43 -0.01 0.00 0.00 0.00 0.00 23.12 19.68 3dbs s ALA 427 CO 0.00 -0.56 -0.09 -0.51 0.00 0.00 0.00 175.76 174.60 3dbs s LEU 428 N -2.03 2.79 -0.41 0.00 1.43 -0.12 -1.97 118.68 118.37 3dbs s LEU 428 Ca 0.52 -0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 52.97 3dbs s LEU 428 Cb -0.36 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.18 3dbs s LEU 428 CO 0.46 0.07 1.74 -0.22 0.23 0.00 0.00 176.35 178.64 3dbs s LEU 429 N 0.91 3.47 -0.45 1.79 2.96 0.22 -0.78 118.68 126.79 3dbs s LEU 429 Ca -0.02 0.98 -0.14 0.00 -0.22 0.00 0.00 54.13 54.74 3dbs s LEU 429 Cb -0.15 -3.28 0.07 0.00 0.50 0.00 0.00 46.19 43.33 3dbs s LEU 429 CO 0.00 -1.82 0.34 0.21 -1.32 0.00 0.00 176.35 173.77 3dbs s ASN 430 N 6.16 6.00 -0.23 3.68 3.84 0.81 -1.08 114.94 134.12 3dbs s ASN 430 Ca 0.73 -1.31 -0.17 0.00 0.21 0.00 0.00 52.86 52.32 3dbs s ASN 430 Cb -0.18 -2.13 -0.03 0.00 -0.55 0.00 0.00 41.25 38.36 3dbs s ASN 430 CO 0.30 -0.59 0.46 -0.76 -2.79 0.00 0.00 177.10 173.73 3dbs s LEU 431 N 1.59 4.10 0.07 3.21 1.43 0.15 -1.30 118.68 127.92 3dbs s LEU 431 Ca 0.04 0.52 0.07 0.00 -1.03 0.00 0.00 54.13 53.73 3dbs s LEU 431 Cb -0.23 -2.60 -0.03 0.00 0.03 0.00 0.00 46.19 43.36 3dbs s LEU 431 CO 0.06 -0.19 -0.18 -1.10 0.23 0.00 0.00 176.35 175.17 3dbs s GLN 432 N 1.84 1.10 -0.15 1.70 -0.21 -0.26 -0.43 119.66 123.25 3dbs s GLN 432 Ca 0.20 -0.98 0.01 0.00 0.02 0.00 0.00 55.36 54.62 3dbs s GLN 432 Cb -0.15 -1.23 0.00 0.00 1.00 0.00 0.00 33.01 32.63 3dbs s GLN 432 CO 0.09 0.30 -0.19 0.42 -2.12 0.00 0.00 175.29 173.79 3dbs s ILE 433 N -1.02 2.35 0.29 1.08 1.01 -0.48 -0.11 121.20 124.33 3dbs s ILE 433 Ca 0.04 -0.88 0.10 0.00 0.00 0.00 0.00 60.65 59.91 3dbs s ILE 433 Cb -0.09 -1.97 -0.06 0.00 0.01 0.00 0.00 42.46 40.36 3dbs s ILE 433 CO 0.03 0.53 -0.13 -0.31 0.00 0.00 0.00 174.94 175.06 3dbs s TYR 434 N 0.80 2.17 0.00 3.97 2.02 -0.95 -0.95 117.35 124.41 3dbs s TYR 434 Ca -0.07 -0.49 0.00 0.00 -0.37 0.00 0.00 57.07 56.14 3dbs s TYR 434 Cb -0.15 -1.10 0.00 0.00 -0.40 0.00 0.00 41.96 40.30 3dbs s TYR 434 CO -0.01 0.54 0.00 0.00 -1.57 0.00 0.00 175.55 174.51 3dbs s LEU 460 N -3.06 6.43 -0.19 0.00 2.96 -1.26 -4.84 118.68 118.73 3dbs s LEU 460 Ca 0.00 -2.40 0.14 0.00 -0.22 0.00 0.00 54.13 51.65 3dbs s LEU 460 Cb 0.00 -2.23 -0.24 0.00 0.50 0.00 0.00 46.19 44.22 3dbs s LEU 460 CO 0.00 -0.70 0.10 0.18 -1.32 0.00 0.00 176.35 174.62 3dbs n LEU 461 N 4.56 0.62 -3.92 -0.68 4.77 -0.12 -4.76 117.00 117.46 3dbs n LEU 461 Ca 0.08 0.03 -0.09 0.00 -0.03 0.00 0.00 56.01 56.00 3dbs n LEU 461 Cb 0.46 0.21 -0.09 0.00 -2.33 0.00 0.00 43.42 41.66 3dbs n LEU 461 CO 0.40 0.56 -0.20 -0.31 -1.33 0.00 0.00 177.39 176.51 3dbs s TYR 462 N -2.51 0.19 0.03 -1.77 2.02 -1.16 -1.73 117.35 112.41 3dbs s TYR 462 Ca -0.13 -0.51 -0.20 0.00 -0.37 0.00 0.00 57.07 55.86 3dbs s TYR 462 Cb 0.07 -0.13 0.04 0.00 -0.40 0.00 0.00 41.96 41.53 3dbs s TYR 462 CO 0.79 -0.39 0.44 1.52 -1.57 0.00 0.00 175.55 176.35 3dbs s TYR 463 N -2.78 -0.32 0.06 2.71 -0.85 -0.67 -1.38 117.35 114.12 3dbs s TYR 463 Ca -0.03 0.37 -0.20 0.00 -0.52 0.00 0.00 57.07 56.69 3dbs s TYR 463 Cb -0.00 0.24 0.05 0.00 0.38 0.00 0.00 41.96 42.63 3dbs s TYR 463 CO -0.05 -0.56 0.48 0.54 -1.52 0.00 0.00 175.55 174.44 3dbs s VAL 464 N -2.15 0.04 0.12 -3.49 0.11 0.43 -2.01 120.40 113.45 3dbs s VAL 464 Ca -0.07 -0.33 0.07 0.00 -2.93 0.00 0.00 61.98 58.72 3dbs s VAL 464 Cb -0.01 -0.99 -0.04 0.00 -1.53 0.00 0.00 36.38 33.80 3dbs s VAL 464 CO 0.00 -0.18 -0.16 0.20 -3.33 0.00 0.00 175.10 171.63 3dbs s ASN 465 N -2.12 2.16 -0.12 3.54 0.01 -1.26 -0.67 114.94 116.48 3dbs s ASN 465 Ca -0.04 -0.79 -0.04 0.00 -0.71 0.00 0.00 52.86 51.28 3dbs s ASN 465 Cb -0.00 -0.09 0.06 0.00 0.41 0.00 0.00 41.25 41.63 3dbs s ASN 465 CO -0.04 -0.09 0.20 -0.22 -1.51 0.00 0.00 177.10 175.44 3dbs s LEU 466 N -2.37 -0.16 0.01 0.60 2.96 -0.24 -4.73 118.68 114.76 3dbs s LEU 466 Ca 0.09 0.32 -0.33 0.00 -0.22 0.00 0.00 54.13 53.99 3dbs s LEU 466 Cb -0.06 0.43 -0.11 0.00 0.50 0.00 0.00 46.19 46.95 3dbs s LEU 466 CO 0.04 -0.26 1.86 0.18 -1.32 0.00 0.00 176.35 176.85 3dbs n LEU 467 N 5.33 3.68 0.13 -0.68 4.77 -1.26 -0.61 117.00 128.37 3dbs n LEU 467 Ca -0.05 0.97 0.00 0.00 -0.03 0.00 0.00 56.01 56.90 3dbs n LEU 467 Cb 0.50 -1.45 0.13 0.00 -2.33 0.00 0.00 43.42 40.27 3dbs n LEU 467 CO 0.04 0.02 0.46 -0.07 -1.33 0.00 0.00 177.39 176.52 3dbs h LEU 468 N 8.98 0.00 -8.18 2.23 3.38 -1.76 -3.41 115.31 116.55 3dbs h LEU 468 Ca -0.48 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 56.82 3dbs h LEU 468 Cb 1.25 0.00 -0.33 0.00 0.09 0.00 0.00 40.66 41.67 3dbs h LEU 468 CO 0.94 0.62 -0.83 -0.63 0.09 0.00 0.00 178.44 178.63 3dbs s ILE 469 N -3.29 2.41 1.02 1.22 1.01 -1.26 -0.44 121.20 121.86 3dbs s ILE 469 Ca 0.01 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 3dbs s ILE 469 Cb 0.11 -2.03 0.24 0.00 0.01 0.00 0.00 42.46 40.79 3dbs s ILE 469 CO 0.75 0.51 1.20 -0.90 0.00 0.00 0.00 174.94 176.51 3dbs n ASP 470 N 4.55 -0.60 0.00 3.58 5.75 -0.33 -4.58 116.55 124.92 3dbs n ASP 470 Ca -0.20 -1.36 0.08 0.00 -0.01 0.00 0.00 54.79 53.30 3dbs n ASP 470 Cb 0.50 -0.97 0.40 0.00 -1.03 0.00 0.00 41.12 40.02 3dbs n ASP 470 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3dbs n HIS 471 N -4.09 0.00 -1.05 2.11 1.44 -1.26 -1.91 115.22 110.46 3dbs n HIS 471 Ca 0.16 0.00 0.03 0.00 -2.01 0.00 0.00 57.72 55.89 3dbs n HIS 471 Cb 0.56 -0.40 0.29 0.00 0.12 0.00 0.00 29.99 30.56 3dbs n HIS 471 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3dbs n ARG 472 N -1.40 3.39 -1.35 -1.40 1.74 -1.26 -4.96 116.66 111.43 3dbs n ARG 472 Ca 0.06 -3.01 -0.12 0.00 -0.77 0.00 0.00 57.85 54.01 3dbs n ARG 472 Cb 0.17 -2.02 -0.05 0.00 -1.02 0.00 0.00 32.46 29.53 3dbs n ARG 472 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3dbs n PHE 473 N -0.28 0.00 -3.15 -1.55 3.01 -0.80 -4.87 117.46 109.82 3dbs n PHE 473 Ca 0.29 0.00 -0.39 0.00 1.01 0.00 0.00 57.45 58.36 3dbs n PHE 473 Cb 1.10 -2.67 -0.06 0.00 -0.01 0.00 0.00 39.48 37.85 3dbs n PHE 473 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 3dbs s LEU 474 N -2.72 4.56 0.34 4.37 1.43 -1.26 -2.89 118.68 122.51 3dbs s LEU 474 Ca 0.00 1.42 -0.28 0.00 -1.03 0.00 0.00 54.13 54.24 3dbs s LEU 474 Cb 0.00 -3.06 -0.10 0.00 0.03 0.00 0.00 46.19 43.06 3dbs s LEU 474 CO 0.00 0.25 1.32 -0.22 0.23 0.00 0.00 176.35 177.93 3dbs s LEU 475 N -1.12 4.40 0.04 1.79 2.96 -1.26 -1.19 118.68 124.30 3dbs s LEU 475 Ca 0.32 2.72 -0.30 0.00 -0.22 0.00 0.00 54.13 56.65 3dbs s LEU 475 Cb -0.21 -3.67 -0.05 0.00 0.50 0.00 0.00 46.19 42.76 3dbs s LEU 475 CO 0.22 -0.59 1.17 -0.60 -1.32 0.00 0.00 176.35 175.23 3dbs s ARG 476 N -1.86 4.44 0.00 1.98 3.52 0.42 -4.86 118.95 122.59 3dbs s ARG 476 Ca 0.50 1.71 0.01 0.00 -0.13 0.00 0.00 55.73 57.82 3dbs s ARG 476 Cb -0.40 -3.39 -0.00 0.00 -1.56 0.00 0.00 34.95 29.59 3dbs s ARG 476 CO 0.54 -0.26 -0.02 0.50 -0.81 0.00 0.00 175.30 175.25 3dbs s ARG 477 N 1.23 0.15 0.00 5.12 3.52 -1.26 -4.81 118.95 122.89 3dbs s ARG 477 Ca 0.57 -0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.08 3dbs s ARG 477 Cb -0.28 -0.12 0.00 0.00 -1.56 0.00 0.00 34.95 32.99 3dbs s ARG 477 CO 0.28 0.03 0.00 0.41 -0.81 0.00 0.00 175.30 175.21 3dbs n GLY 478 N 2.94 0.53 3.57 8.12 0.00 -0.02 -4.91 105.19 115.42 3dbs n GLY 478 Ca -0.13 -2.19 -0.39 0.00 0.00 0.00 0.00 46.02 43.30 3dbs n GLY 478 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3dbs s GLU 479 N -0.53 3.78 -0.08 1.61 0.41 -1.26 -1.33 118.70 121.29 3dbs s GLU 479 Ca 0.00 -0.34 0.03 0.00 -0.41 0.00 0.00 54.97 54.25 3dbs s GLU 479 Cb 0.00 -3.72 -0.02 0.00 -1.78 0.00 0.00 34.13 28.61 3dbs s GLU 479 CO 0.00 -0.34 -0.16 0.71 -0.49 0.00 0.00 175.26 174.98 3dbs s TYR 480 N 1.87 2.68 -0.33 1.61 1.51 -0.97 -5.00 117.35 118.72 3dbs s TYR 480 Ca 0.09 -0.49 -0.05 0.00 -1.01 0.00 0.00 57.07 55.62 3dbs s TYR 480 Cb -0.16 -1.70 0.04 0.00 -0.11 0.00 0.00 41.96 40.03 3dbs s TYR 480 CO 0.11 -0.07 0.08 0.08 -1.11 0.00 0.00 175.55 174.64 3dbs s VAL 481 N -0.18 3.53 -0.27 0.71 1.01 -1.26 -1.93 120.40 122.02 3dbs s VAL 481 Ca -0.01 -1.23 -0.07 0.00 0.00 0.00 0.00 61.98 60.67 3dbs s VAL 481 Cb -0.13 -3.02 -0.02 0.00 0.00 0.00 0.00 36.38 33.21 3dbs s VAL 481 CO 0.03 -0.17 0.08 -0.76 0.00 0.00 0.00 175.10 174.28 3dbs s LEU 482 N 1.35 3.58 -0.04 3.92 1.43 -0.37 -4.94 118.68 123.61 3dbs s LEU 482 Ca -0.03 -0.37 -0.24 0.00 -1.03 0.00 0.00 54.13 52.47 3dbs s LEU 482 Cb -0.20 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.07 3dbs s LEU 482 CO 0.01 -0.09 0.71 -1.00 0.23 0.00 0.00 176.35 176.22 3dbs s HIS 483 N 1.58 3.62 0.20 0.29 3.76 -1.26 -1.37 115.29 122.11 3dbs s HIS 483 Ca 0.05 1.30 0.07 0.00 -0.15 0.00 0.00 55.06 56.34 3dbs s HIS 483 Cb -0.16 -2.80 -0.04 0.00 1.11 0.00 0.00 32.58 30.69 3dbs s HIS 483 CO 0.03 0.15 0.06 -1.64 -0.85 0.00 0.00 174.74 172.49 3dbs s MET 484 N 0.54 2.59 0.06 1.40 1.00 0.85 -1.19 119.30 124.54 3dbs s MET 484 Ca 0.38 -1.08 -0.21 0.00 0.00 0.00 0.00 55.69 54.77 3dbs s MET 484 Cb -0.18 -2.43 -0.06 0.00 0.00 0.00 0.00 34.83 32.15 3dbs s MET 484 CO 0.19 0.44 0.62 -1.58 0.00 0.00 0.00 175.02 174.70 3dbs s TRP 485 N -1.88 3.78 0.45 -0.03 0.52 -0.85 -4.34 118.94 116.59 3dbs s TRP 485 Ca 0.30 1.32 -0.06 0.00 0.02 0.00 0.00 56.10 57.68 3dbs s TRP 485 Cb -0.09 -2.59 -0.04 0.00 -1.15 0.00 0.00 33.47 29.60 3dbs s TRP 485 CO 0.21 0.48 0.76 -1.14 0.02 0.00 0.00 176.95 177.28 3dbs s GLN 486 N -0.75 3.58 -0.24 4.98 0.74 -1.26 -1.66 119.66 125.04 3dbs s GLN 486 Ca 0.31 0.20 -0.16 0.00 0.05 0.00 0.00 55.36 55.77 3dbs s GLN 486 Cb -0.20 -2.41 -0.04 0.00 1.10 0.00 0.00 33.01 31.47 3dbs s GLN 486 CO 0.20 -0.13 0.39 0.42 -0.55 0.00 0.00 175.29 175.62 3dbs s ILE 487 N -2.62 5.18 0.15 -2.34 -1.09 -0.71 -4.94 121.20 114.84 3dbs s ILE 487 Ca 0.47 0.66 -0.31 0.00 -2.23 0.00 0.00 60.65 59.23 3dbs s ILE 487 Cb -0.10 -3.72 -0.10 0.00 -1.58 0.00 0.00 42.46 36.95 3dbs s ILE 487 CO 0.41 0.20 1.69 -0.94 -1.23 0.00 0.00 174.94 175.07 3dbs s SER 488 N 1.33 6.49 -0.84 3.58 1.04 -1.26 -5.03 113.70 119.00 3dbs s SER 488 Ca 0.17 2.70 -0.21 0.00 0.48 0.00 0.00 55.95 59.09 3dbs s SER 488 Cb -0.15 -2.58 -0.14 0.00 0.10 0.00 0.00 66.02 63.25 3dbs s SER 488 CO 0.09 -0.92 1.95 0.61 0.98 0.00 0.00 173.24 175.94 3dbs n GLY 489 N 3.98 2.65 0.00 7.32 0.00 -1.26 -5.01 105.19 112.86 3dbs n GLY 489 Ca 0.16 -1.28 0.00 0.00 0.00 0.00 0.00 46.02 44.90 3dbs n GLY 489 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3dbs n PHE 497 N 7.66 0.00 -4.17 1.61 3.01 -1.26 -5.17 117.46 119.15 3dbs n PHE 497 Ca 0.50 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.85 3dbs n PHE 497 Cb 0.41 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.78 3dbs n PHE 497 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 3dbs s ASN 498 N -0.90 0.86 0.53 4.37 4.22 -1.26 -4.38 114.94 118.37 3dbs s ASN 498 Ca 0.00 -1.08 0.30 0.00 -2.14 0.00 0.00 52.86 49.94 3dbs s ASN 498 Cb 0.00 0.16 1.41 0.00 1.28 0.00 0.00 41.25 44.10 3dbs s ASN 498 CO 0.00 -0.57 2.02 0.00 -2.04 0.00 0.00 177.10 176.51 3dbs h ALA 499 N 2.92 1.11 0.00 3.54 0.00 -1.72 -1.76 119.26 123.35 3dbs h ALA 499 Ca -0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.43 3dbs h ALA 499 Cb 1.18 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3dbs h ALA 499 CO 0.63 0.13 -0.17 -0.44 0.00 0.00 0.00 179.25 179.40 3dbs h ASP 500 N 0.00 0.00 0.46 0.00 3.32 -1.94 -2.84 116.42 115.42 3dbs h ASP 500 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3dbs h ASP 500 Cb 0.45 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.00 3dbs h ASP 500 CO 0.01 0.17 0.00 0.29 -1.72 0.00 0.00 179.24 178.00 3dbs n LYS 501 N -4.09 0.09 0.00 3.56 5.02 -0.66 -3.15 118.16 118.92 3dbs n LYS 501 Ca -0.02 0.39 0.12 0.00 -2.02 0.00 0.00 58.31 56.78 3dbs n LYS 501 Cb 0.25 -1.69 0.14 0.00 -0.02 0.00 0.00 35.03 33.71 3dbs n LYS 501 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3dbs n LEU 502 N -1.87 2.07 -4.77 -0.35 4.77 -1.07 -4.93 117.00 110.85 3dbs n LEU 502 Ca 0.02 -0.71 -0.39 0.00 -0.03 0.00 0.00 56.01 54.90 3dbs n LEU 502 Cb 0.15 -0.02 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 3dbs n LEU 502 CO 0.14 0.37 0.80 0.28 -1.33 0.00 0.00 177.39 177.65 3dbs s THR 503 N -2.31 3.40 -1.43 -5.08 -1.32 -1.19 -4.92 115.64 102.80 3dbs s THR 503 Ca 0.24 1.27 0.29 0.00 -1.21 0.00 0.00 61.69 62.28 3dbs s THR 503 Cb 0.19 -3.76 0.38 0.00 -1.51 0.00 0.00 72.50 67.81 3dbs s THR 503 CO 0.47 0.20 1.86 -1.54 -2.21 0.00 0.00 174.62 173.40 3dbs n SER 504 N 0.60 0.31 -4.78 8.08 3.41 -1.26 -4.10 113.62 115.87 3dbs n SER 504 Ca 0.02 -0.28 -0.35 0.00 -0.26 0.00 0.00 58.87 57.99 3dbs n SER 504 Cb 0.46 -0.15 -0.02 0.00 -0.26 0.00 0.00 64.21 64.24 3dbs n SER 504 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3dbs s ALA 505 N -2.64 2.88 0.19 7.33 0.00 -1.26 -4.88 121.76 123.38 3dbs s ALA 505 Ca 0.24 0.75 0.05 0.00 0.00 0.00 0.00 51.96 53.00 3dbs s ALA 505 Cb 0.20 -3.31 -0.03 0.00 0.00 0.00 0.00 23.12 19.97 3dbs s ALA 505 CO 0.51 -0.50 0.25 0.95 0.00 0.00 0.00 175.76 176.97 3dbs s THR 506 N -1.78 4.93 -0.05 0.00 -4.23 -1.26 -4.72 115.64 108.53 3dbs s THR 506 Ca 0.67 -1.00 -0.30 0.00 -1.18 0.00 0.00 61.69 59.88 3dbs s THR 506 Cb -0.22 -3.59 -0.08 0.00 1.34 0.00 0.00 72.50 69.95 3dbs s THR 506 CO 0.26 -0.20 2.05 -3.20 -0.54 0.00 0.00 174.62 172.98 3dbs n ASN 507 N -0.83 3.83 0.03 3.99 2.85 -0.33 -4.88 115.26 119.92 3dbs n ASN 507 Ca -0.08 0.70 -0.03 0.00 -0.11 0.00 0.00 54.58 55.06 3dbs n ASN 507 Cb 0.56 -1.52 0.23 0.00 1.24 0.00 0.00 39.78 40.28 3dbs n ASN 507 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 3dbs h PRO 508 N 11.83 0.44 -5.44 1.20 0.13 -1.92 -3.40 132.00 134.85 3dbs h PRO 508 Ca -0.47 -0.16 -0.17 0.00 -0.87 0.00 0.00 66.00 64.33 3dbs h PRO 508 Cb 1.24 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 3dbs h PRO 508 CO 0.95 0.65 0.49 0.34 -0.23 0.00 0.00 178.00 180.20 3dbs s ASP 509 N -6.82 4.43 0.19 1.44 2.15 -1.26 -4.77 116.67 112.03 3dbs s ASP 509 Ca -0.07 -0.79 0.26 0.00 0.43 0.00 0.00 52.55 52.38 3dbs s ASP 509 Cb 0.14 -2.57 0.70 0.00 -0.30 0.00 0.00 42.92 40.89 3dbs s ASP 509 CO 0.78 -3.55 1.67 0.29 -0.17 0.00 0.00 175.17 174.19 3dbs n LYS 510 N 8.57 0.27 0.12 4.34 5.02 -1.26 -2.70 118.16 132.51 3dbs n LYS 510 Ca 0.43 0.18 0.01 0.00 -2.02 0.00 0.00 58.31 56.91 3dbs n LYS 510 Cb 0.46 -1.77 -0.01 0.00 -0.02 0.00 0.00 35.03 33.69 3dbs n LYS 510 CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3dbs h GLU 511 N 0.00 0.00 0.00 1.97 4.81 -1.97 -3.39 114.58 116.00 3dbs h GLU 511 Ca 0.00 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.15 3dbs h GLU 511 Cb 0.74 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.10 3dbs h GLU 511 CO 0.00 0.55 -1.31 0.09 -0.73 0.00 0.00 179.01 177.61 3dbs n ASN 512 N -3.20 3.87 -4.80 1.04 4.13 -1.25 -4.79 115.26 110.25 3dbs n ASN 512 Ca 0.00 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.94 3dbs n ASN 512 Cb 0.78 0.64 0.01 0.00 -1.54 0.00 0.00 39.78 39.67 3dbs n ASN 512 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 3dbs s SER 513 N -3.52 5.75 0.42 6.41 1.04 -1.10 -4.65 113.70 118.04 3dbs s SER 513 Ca -0.02 1.85 -0.24 0.00 0.48 0.00 0.00 55.95 58.02 3dbs s SER 513 Cb 0.01 -2.54 -0.08 0.00 0.10 0.00 0.00 66.02 63.51 3dbs s SER 513 CO 0.19 -1.19 1.09 -0.32 0.98 0.00 0.00 173.24 173.99 3dbs s MET 514 N -4.02 4.05 -0.03 4.02 1.75 -1.26 -4.71 119.30 119.10 3dbs s MET 514 Ca 0.64 1.61 0.02 0.00 -1.25 0.00 0.00 55.69 56.71 3dbs s MET 514 Cb -0.17 -2.51 0.00 0.00 2.84 0.00 0.00 34.83 34.99 3dbs s MET 514 CO 0.36 -0.27 -0.09 -1.54 -0.65 0.00 0.00 175.02 172.84 3dbs s SER 515 N -1.48 1.20 0.10 1.11 1.04 -0.25 -0.11 113.70 115.31 3dbs s SER 515 Ca 0.59 -0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.88 3dbs s SER 515 Cb -0.24 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.51 3dbs s SER 515 CO 0.30 0.06 0.07 -0.51 0.98 0.00 0.00 173.24 174.14 3dbs s ILE 516 N 0.21 4.39 -0.12 -1.02 2.07 -0.47 -1.52 121.20 124.75 3dbs s ILE 516 Ca -0.03 -0.89 0.01 0.00 -1.41 0.00 0.00 60.65 58.33 3dbs s ILE 516 Cb -0.09 -3.13 0.02 0.00 0.13 0.00 0.00 42.46 39.39 3dbs s ILE 516 CO 0.00 0.08 -0.13 -0.44 -1.91 0.00 0.00 174.94 172.54 3dbs s SER 517 N -2.51 2.38 0.25 4.50 0.01 -0.42 -1.23 113.70 116.68 3dbs s SER 517 Ca 0.29 -0.40 0.01 0.00 1.31 0.00 0.00 55.95 57.15 3dbs s SER 517 Cb -0.12 -1.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.03 3dbs s SER 517 CO 0.21 -0.03 0.09 0.27 0.41 0.00 0.00 173.24 174.20 3dbs s ILE 518 N 1.23 0.54 -0.07 1.44 -4.36 -0.81 -0.33 121.20 118.83 3dbs s ILE 518 Ca -0.02 -2.00 -0.03 0.00 -0.26 0.00 0.00 60.65 58.34 3dbs s ILE 518 Cb -0.14 -2.59 0.04 0.00 1.25 0.00 0.00 42.46 41.02 3dbs s ILE 518 CO -0.05 -0.04 0.15 -0.22 0.24 0.00 0.00 174.94 175.02 3dbs s LEU 519 N -3.29 0.23 -0.20 0.37 2.96 -0.97 -2.29 118.68 115.48 3dbs s LEU 519 Ca 0.37 0.30 -0.07 0.00 -0.22 0.00 0.00 54.13 54.50 3dbs s LEU 519 Cb 0.08 0.27 -0.04 0.00 0.50 0.00 0.00 46.19 47.00 3dbs s LEU 519 CO 0.13 -0.21 0.07 -0.76 -1.32 0.00 0.00 176.35 174.26 3dbs s LEU 520 N 1.88 3.71 -0.33 -0.68 2.01 -0.44 -2.37 118.68 122.46 3dbs s LEU 520 Ca -0.01 -0.01 0.17 0.00 0.01 0.00 0.00 54.13 54.29 3dbs s LEU 520 Cb -0.12 -1.96 0.46 0.00 0.01 0.00 0.00 46.19 44.58 3dbs s LEU 520 CO -0.06 0.10 0.97 -0.67 1.01 0.00 0.00 176.35 177.71 3dbs n ASP 521 N 4.00 1.74 0.00 2.29 -0.08 -1.26 -0.84 116.55 122.39 3dbs n ASP 521 Ca -0.16 -2.78 0.00 0.00 -1.51 0.00 0.00 54.79 50.34 3dbs n ASP 521 Cb 0.52 -0.52 0.00 0.00 2.34 0.00 0.00 41.12 43.46 3dbs n ASP 521 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3dbs n ASN 522 N -0.12 0.00 0.00 1.67 3.02 -1.26 -5.11 115.26 113.47 3dbs n ASN 522 Ca 0.12 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.67 3dbs n ASN 522 Cb 0.81 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.98 3dbs n ASN 522 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 3dbs n HIS 525 N 0.00 0.00 -3.31 3.10 -0.00 -1.14 -5.02 115.22 108.85 3dbs n HIS 525 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.72 57.69 3dbs n HIS 525 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 3dbs n HIS 525 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 176.34 175.99 3dbs n PRO 526 N 0.00 1.21 -3.09 1.57 -0.04 -1.26 -4.84 135.00 128.55 3dbs n PRO 526 Ca 0.00 -0.39 -0.15 0.00 -0.04 0.00 0.00 63.50 62.93 3dbs n PRO 526 Cb 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.48 3dbs n PRO 526 CO 0.00 0.00 0.00 -0.89 -0.04 0.00 0.00 175.50 174.57 3dbs n ILE 527 N -0.86 -1.79 -2.76 0.52 5.41 -1.26 -5.04 119.36 113.58 3dbs n ILE 527 Ca 0.01 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 3dbs n ILE 527 Cb 0.07 -1.60 0.07 0.00 -0.71 0.00 0.00 39.64 37.47 3dbs n ILE 527 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3dbs n ALA 528 N -1.44 -0.83 0.00 -1.39 0.00 -1.26 -5.17 120.51 110.41 3dbs n ALA 528 Ca -0.16 -1.54 0.00 0.00 0.00 0.00 0.00 53.44 51.74 3dbs n ALA 528 Cb 0.38 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.63 3dbs n ALA 528 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3dbs n ARG 544 N 0.76 0.00 -1.26 0.00 0.63 -1.26 -5.27 116.66 110.26 3dbs n ARG 544 Ca 0.08 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.01 3dbs n ARG 544 Cb 0.67 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.58 3dbs n ARG 544 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3dbs n ALA 545 N -0.31 -1.91 -2.88 5.13 0.00 -1.26 -5.04 120.51 114.24 3dbs n ALA 545 Ca 0.00 0.36 -0.31 0.00 0.00 0.00 0.00 53.44 53.48 3dbs n ALA 545 Cb 0.00 -1.21 -0.17 0.00 0.00 0.00 0.00 19.45 18.07 3dbs n ALA 545 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.50 175.50 3dbs s GLU 546 N -4.06 2.63 0.47 0.00 2.56 -1.26 -5.11 118.70 113.94 3dbs s GLU 546 Ca 0.00 -0.88 -0.24 0.00 0.00 0.00 0.00 54.97 53.85 3dbs s GLU 546 Cb 0.00 -2.16 -0.08 0.00 2.00 0.00 0.00 34.13 33.90 3dbs s GLU 546 CO 0.00 0.32 1.42 -1.33 -0.56 0.00 0.00 175.26 175.11 3dbs n MET 547 N 3.12 2.14 -1.84 4.30 2.81 -1.26 -4.96 117.12 121.44 3dbs n MET 547 Ca -0.18 0.77 -0.42 0.00 -1.81 0.00 0.00 57.70 56.06 3dbs n MET 547 Cb 0.52 -2.63 -0.02 0.00 -0.71 0.00 0.00 33.22 30.38 3dbs n MET 547 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 3dbs s PRO 548 N -2.56 4.16 0.63 0.03 0.04 -1.26 -4.85 135.00 131.20 3dbs s PRO 548 Ca 0.64 2.50 0.31 0.00 0.04 0.00 0.00 61.00 64.49 3dbs s PRO 548 Cb -0.44 -3.06 1.71 0.00 0.04 0.00 0.00 34.50 32.75 3dbs s PRO 548 CO 0.56 -0.60 2.01 -2.95 0.04 0.00 0.00 177.00 176.06 3dbs h ASN 549 N 5.35 0.00 1.30 6.66 7.08 -2.00 -1.88 115.58 132.09 3dbs h ASN 549 Ca -0.46 0.00 -0.15 0.00 -3.08 0.00 0.00 56.30 52.62 3dbs h ASN 549 Cb 1.22 0.00 -0.02 0.00 -2.08 0.00 0.00 38.32 37.43 3dbs h ASN 549 CO 0.82 0.00 -0.71 -0.61 -2.08 0.00 0.00 177.43 174.86 3dbs h GLN 550 N 0.00 0.00 0.17 4.14 5.75 -2.01 -2.91 115.11 120.25 3dbs h GLN 550 Ca 0.06 0.00 -0.30 0.00 -0.15 0.00 0.00 58.65 58.25 3dbs h GLN 550 Cb 0.63 0.00 0.01 0.00 1.07 0.00 0.00 27.48 29.20 3dbs h GLN 550 CO -0.00 0.68 -1.41 -0.07 -2.65 0.00 0.00 178.83 175.38 3dbs h LEU 551 N 0.00 0.55 -0.71 -2.39 3.38 -1.72 -3.10 115.31 111.33 3dbs h LEU 551 Ca -0.01 -0.63 0.13 0.00 0.09 0.00 0.00 57.88 57.45 3dbs h LEU 551 Cb 1.53 -0.18 -0.09 0.00 0.09 0.00 0.00 40.66 42.02 3dbs h LEU 551 CO 0.09 1.51 0.26 -0.09 0.09 0.00 0.00 178.44 180.30 3dbs h ARG 552 N 0.10 0.41 -0.52 1.13 2.43 -1.54 0.31 114.38 116.70 3dbs h ARG 552 Ca -0.21 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 58.92 3dbs h ARG 552 Cb 2.05 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 31.48 3dbs h ARG 552 CO 0.21 0.27 0.27 0.87 -1.51 0.00 0.00 179.97 180.08 3dbs h LYS 553 N 0.42 0.73 -0.99 0.20 1.57 -1.59 0.34 116.57 117.25 3dbs h LYS 553 Ca 0.38 -0.10 0.10 0.00 -1.87 0.00 0.00 60.65 59.16 3dbs h LYS 553 Cb 0.55 -0.14 -0.08 0.00 0.08 0.00 0.00 32.23 32.64 3dbs h LYS 553 CO -0.38 0.59 0.63 0.37 -0.57 0.00 0.00 179.45 180.09 3dbs h GLN 554 N 0.69 1.01 -0.01 3.15 4.15 -1.10 -1.07 115.11 121.93 3dbs h GLN 554 Ca 0.18 -0.06 -0.25 0.00 0.77 0.00 0.00 58.65 59.29 3dbs h GLN 554 Cb 0.09 -0.23 0.01 0.00 0.21 0.00 0.00 27.48 27.56 3dbs h GLN 554 CO -0.03 0.67 -0.98 1.25 -1.93 0.00 0.00 178.83 177.81 3dbs h LEU 555 N 1.04 0.77 -0.38 -2.39 5.85 0.36 -2.98 115.31 117.58 3dbs h LEU 555 Ca 0.47 -0.61 -0.08 0.00 0.84 0.00 0.00 57.88 58.50 3dbs h LEU 555 Cb 0.39 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.17 3dbs h LEU 555 CO -0.23 1.41 -0.08 -0.33 -0.34 0.00 0.00 178.44 178.87 3dbs h GLU 556 N 0.35 0.72 -0.49 1.25 5.08 -0.02 -2.14 114.58 119.32 3dbs h GLU 556 Ca -0.10 -0.27 0.09 0.00 -1.00 0.00 0.00 59.36 58.08 3dbs h GLU 556 Cb 1.63 -0.04 -0.08 0.00 0.50 0.00 0.00 28.75 30.75 3dbs h GLU 556 CO 0.19 0.86 0.02 0.00 -1.00 0.00 0.00 179.01 179.08 3dbs h ALA 557 N 0.84 0.48 -0.22 3.43 0.00 -1.25 0.82 119.26 123.37 3dbs h ALA 557 Ca 0.10 0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.19 3dbs h ALA 557 Cb 0.58 0.22 -0.04 0.00 0.00 0.00 0.00 17.79 18.55 3dbs h ALA 557 CO 0.03 -0.37 -0.06 0.82 0.00 0.00 0.00 179.25 179.67 3dbs h ILE 558 N 0.14 0.76 -0.25 0.00 2.04 -1.36 -2.72 117.51 116.12 3dbs h ILE 558 Ca 0.25 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 66.06 3dbs h ILE 558 Cb 0.36 0.76 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 3dbs h ILE 558 CO -0.38 0.00 -0.04 0.40 0.00 0.00 0.00 178.15 178.12 3dbs h ILE 559 N -0.02 1.18 -0.25 -0.67 2.04 -0.68 -2.58 117.51 116.53 3dbs h ILE 559 Ca 0.11 -0.73 -0.07 0.00 1.00 0.00 0.00 64.86 65.17 3dbs h ILE 559 Cb 0.18 1.03 -0.01 0.00 -0.74 0.00 0.00 36.82 37.28 3dbs h ILE 559 CO -0.23 0.24 -0.14 0.00 0.00 0.00 0.00 178.15 178.02 3dbs h ALA 560 N 1.59 1.30 -2.05 1.87 0.00 -0.56 -3.45 119.26 117.96 3dbs h ALA 560 Ca 0.08 -0.26 -0.41 0.00 0.00 0.00 0.00 54.91 54.32 3dbs h ALA 560 Cb 0.32 -0.12 0.22 0.00 0.00 0.00 0.00 17.79 18.20 3dbs h ALA 560 CO 0.01 0.47 -0.07 0.95 0.00 0.00 0.00 179.25 180.61 3dbs s THR 561 N -4.71 1.59 0.48 0.00 -4.23 -0.97 -5.00 115.64 102.80 3dbs s THR 561 Ca -0.07 0.00 -0.01 0.00 -1.18 0.00 0.00 61.69 60.43 3dbs s THR 561 Cb 0.15 -2.04 -0.00 0.00 1.34 0.00 0.00 72.50 71.94 3dbs s THR 561 CO 0.77 0.00 0.72 1.51 -0.54 0.00 0.00 174.62 177.08 3dbs s ASP 562 N -2.78 5.81 0.51 3.99 1.47 -1.26 -4.98 116.67 119.43 3dbs s ASP 562 Ca 0.69 0.41 0.35 0.00 1.18 0.00 0.00 52.55 55.17 3dbs s ASP 562 Cb -0.19 -1.61 1.88 0.00 -0.34 0.00 0.00 42.92 42.66 3dbs s ASP 562 CO 0.62 -0.77 2.06 -0.65 0.68 0.00 0.00 175.17 177.11 3dbs h PRO 563 N 0.27 0.00 0.00 2.11 0.11 -1.94 -2.12 132.00 130.43 3dbs h PRO 563 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3dbs h PRO 563 Cb 1.25 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.36 3dbs h PRO 563 CO 0.58 0.00 -1.63 1.28 -0.21 0.00 0.00 178.00 178.03 3dbs n LEU 564 N -2.71 0.34 -4.63 2.35 4.77 -1.26 -4.91 117.00 110.95 3dbs n LEU 564 Ca -0.02 -0.11 -0.43 0.00 -0.03 0.00 0.00 56.01 55.42 3dbs n LEU 564 Cb 0.05 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.10 3dbs n LEU 564 CO 0.15 0.06 1.72 -3.20 -1.33 0.00 0.00 177.39 174.79 3dbs n ASN 565 N -2.06 3.77 -4.78 -1.43 5.15 -0.80 -4.92 115.26 110.20 3dbs n ASN 565 Ca -0.01 0.59 -0.37 0.00 -0.60 0.00 0.00 54.58 54.18 3dbs n ASN 565 Cb 0.50 -1.54 -0.04 0.00 -0.53 0.00 0.00 39.78 38.17 3dbs n ASN 565 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3dbs s PRO 566 N 5.32 4.24 -0.05 1.20 0.04 -1.26 -4.88 135.00 139.60 3dbs s PRO 566 Ca 0.94 1.61 -0.16 0.00 0.04 0.00 0.00 61.00 63.43 3dbs s PRO 566 Cb -0.39 -2.68 -0.05 0.00 0.04 0.00 0.00 34.50 31.42 3dbs s PRO 566 CO 0.39 -0.10 0.43 -0.51 0.04 0.00 0.00 177.00 177.26 3dbs s LEU 567 N -2.40 4.38 0.87 -3.56 1.43 -1.26 -5.09 118.68 113.05 3dbs s LEU 567 Ca 0.55 0.89 -0.12 0.00 -1.03 0.00 0.00 54.13 54.42 3dbs s LEU 567 Cb -0.25 -2.63 0.11 0.00 0.03 0.00 0.00 46.19 43.46 3dbs s LEU 567 CO 0.31 0.18 1.15 -0.89 0.23 0.00 0.00 176.35 177.34 3dbs s THR 568 N -0.30 2.02 0.17 5.49 2.01 -1.26 -4.87 115.64 118.89 3dbs s THR 568 Ca 0.24 0.01 -0.12 0.00 0.31 0.00 0.00 61.69 62.13 3dbs s THR 568 Cb -0.16 -2.85 0.06 0.00 0.01 0.00 0.00 72.50 69.56 3dbs s THR 568 CO 0.12 -0.01 1.71 0.00 -0.69 0.00 0.00 174.62 175.75 3dbs h ALA 569 N -1.32 0.74 -0.87 7.40 0.00 -1.99 -1.83 119.26 121.39 3dbs h ALA 569 Ca -0.49 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.30 3dbs h ALA 569 Cb 1.33 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.84 3dbs h ALA 569 CO 0.64 0.38 0.57 1.49 0.00 0.00 0.00 179.25 182.32 3dbs h GLU 570 N 0.79 0.97 -0.07 0.00 4.22 -1.99 -1.54 114.58 116.95 3dbs h GLU 570 Ca 0.19 -0.06 -0.04 0.00 0.08 0.00 0.00 59.36 59.53 3dbs h GLU 570 Cb 0.24 -0.22 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 3dbs h GLU 570 CO -0.01 0.64 -0.10 -0.44 -2.18 0.00 0.00 179.01 176.93 3dbs h ASP 571 N 1.00 0.21 -0.64 1.04 3.32 -1.88 -2.35 116.42 117.12 3dbs h ASP 571 Ca 0.37 -0.51 0.06 0.00 0.02 0.00 0.00 57.03 56.96 3dbs h ASP 571 Cb 0.18 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.61 3dbs h ASP 571 CO -0.13 0.68 0.35 0.11 -1.72 0.00 0.00 179.24 178.53 3dbs h LYS 572 N -0.25 0.64 -0.10 3.56 1.57 -1.16 -1.36 116.57 119.48 3dbs h LYS 572 Ca 0.01 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.67 3dbs h LYS 572 Cb 0.63 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.79 3dbs h LYS 572 CO 0.02 0.42 -0.31 0.93 -0.57 0.00 0.00 179.45 179.95 3dbs h GLU 573 N 0.66 0.18 0.27 3.15 5.08 -1.28 -0.95 114.58 121.69 3dbs h GLU 573 Ca 0.28 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.57 3dbs h GLU 573 Cb 0.17 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3dbs h GLU 573 CO -0.18 0.48 -0.13 1.25 -1.00 0.00 0.00 179.01 179.43 3dbs h LEU 574 N 0.16 -0.31 -0.69 1.33 6.46 -0.87 -0.95 115.31 120.45 3dbs h LEU 574 Ca 0.02 -0.15 0.12 0.00 -0.12 0.00 0.00 57.88 57.75 3dbs h LEU 574 Cb 0.63 0.08 -0.09 0.00 -0.73 0.00 0.00 40.66 40.56 3dbs h LEU 574 CO 0.05 -0.02 0.25 -0.07 -0.62 0.00 0.00 178.44 178.03 3dbs h LEU 575 N -0.61 0.23 -0.12 2.25 -0.00 -1.01 -1.79 115.31 114.27 3dbs h LEU 575 Ca -0.04 0.10 -0.24 0.00 -0.00 0.00 0.00 57.88 57.70 3dbs h LEU 575 Cb 0.44 0.08 0.01 0.00 -0.00 0.00 0.00 40.66 41.19 3dbs h LEU 575 CO 0.06 0.11 -1.00 -0.25 -0.00 0.00 0.00 178.44 177.36 3dbs h TRP 576 N 0.41 0.65 -0.03 1.13 2.91 -1.14 -2.27 115.95 117.60 3dbs h TRP 576 Ca 0.36 -0.37 -0.10 0.00 1.13 0.00 0.00 58.89 59.91 3dbs h TRP 576 Cb 0.51 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 29.08 3dbs h TRP 576 CO -0.18 1.20 -0.46 1.25 -1.03 0.00 0.00 178.44 179.22 3dbs h HIS 577 N 0.23 0.09 -1.46 2.65 2.76 -0.85 -3.01 115.15 115.56 3dbs h HIS 577 Ca -0.09 -0.03 -0.64 0.00 -2.20 0.00 0.00 60.37 57.40 3dbs h HIS 577 Cb 1.65 -0.02 -0.36 0.00 1.55 0.00 0.00 27.41 30.22 3dbs h HIS 577 CO 0.07 0.53 -0.05 1.19 -1.30 0.00 0.00 177.93 178.37 3dbs n PHE 578 N -3.98 3.16 -0.24 5.26 3.01 -0.70 -4.82 117.46 119.14 3dbs n PHE 578 Ca -0.02 -2.73 0.01 0.00 1.01 0.00 0.00 57.45 55.73 3dbs n PHE 578 Cb 0.50 -0.60 0.08 0.00 -0.01 0.00 0.00 39.48 39.45 3dbs n PHE 578 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3dbs h ARG 579 N 2.56 0.00 0.03 -1.08 3.08 -1.27 -1.84 114.38 115.87 3dbs h ARG 579 Ca 0.42 -0.00 -0.22 0.00 0.07 0.00 0.00 59.98 60.25 3dbs h ARG 579 Cb 0.76 -0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.81 3dbs h ARG 579 CO 1.09 0.00 -0.98 1.88 -1.07 0.00 0.00 179.97 180.89 3dbs h TYR 580 N 0.00 0.44 -0.62 3.04 -1.99 -1.87 -1.37 116.97 114.60 3dbs h TYR 580 Ca 0.34 -0.26 -0.08 0.00 2.00 0.00 0.00 58.73 60.73 3dbs h TYR 580 Cb 0.52 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.19 3dbs h TYR 580 CO -0.56 1.10 0.06 1.49 -0.00 0.00 0.00 178.16 180.25 3dbs h GLU 581 N 0.14 1.03 0.00 4.88 4.57 -1.95 -3.09 114.58 120.16 3dbs h GLU 581 Ca -0.07 -0.28 -0.07 0.00 -1.18 0.00 0.00 59.36 57.75 3dbs h GLU 581 Cb 1.64 -0.12 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 3dbs h GLU 581 CO 0.16 0.97 -0.34 0.77 -1.18 0.00 0.00 179.01 179.39 3dbs h SER 582 N 0.96 0.00 0.92 1.04 0.02 -0.89 -2.68 113.55 112.92 3dbs h SER 582 Ca 0.19 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.12 3dbs h SER 582 Cb 0.46 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.00 3dbs h SER 582 CO 0.02 0.34 -0.08 0.25 -1.14 0.00 0.00 176.83 176.22 3dbs h LEU 583 N 0.00 0.00 -1.10 5.07 5.85 -1.18 -2.67 115.31 121.28 3dbs h LEU 583 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3dbs h LEU 583 Cb 0.62 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.65 3dbs h LEU 583 CO 0.04 0.08 0.00 0.11 -0.34 0.00 0.00 178.44 178.33 3dbs h LYS 584 N 0.00 0.00 -4.57 1.25 1.57 -1.53 -3.39 116.57 109.90 3dbs h LYS 584 Ca -0.00 0.00 -0.70 0.00 -1.87 0.00 0.00 60.65 58.08 3dbs h LYS 584 Cb 0.56 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.56 3dbs h LYS 584 CO 0.01 0.00 -0.56 -1.01 -0.57 0.00 0.00 179.45 177.32 3dbs s HIS 585 N -3.50 3.38 0.29 -1.35 3.76 -1.01 -4.98 115.29 111.87 3dbs s HIS 585 Ca 0.03 -1.83 0.03 0.00 -0.15 0.00 0.00 55.06 53.13 3dbs s HIS 585 Cb 0.09 -2.74 0.65 0.00 1.11 0.00 0.00 32.58 31.70 3dbs s HIS 585 CO 0.48 -0.85 1.77 -1.35 -0.85 0.00 0.00 174.74 173.94 3dbs h PRO 586 N 8.19 0.70 -0.02 8.40 0.11 -1.82 -1.35 132.00 146.20 3dbs h PRO 586 Ca -0.20 -0.04 0.01 0.00 0.11 0.00 0.00 66.00 65.88 3dbs h PRO 586 Cb 1.07 -0.16 -0.00 0.00 0.11 0.00 0.00 31.00 32.02 3dbs h PRO 586 CO 0.67 0.46 0.03 0.87 -0.21 0.00 0.00 178.00 179.82 3dbs h LYS 587 N 0.72 0.00 0.00 1.05 1.57 -1.94 -1.22 116.57 116.76 3dbs h LYS 587 Ca 0.53 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.31 3dbs h LYS 587 Cb 0.79 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.10 3dbs h LYS 587 CO -0.37 0.00 0.00 0.00 -0.57 0.00 0.00 179.45 178.51 3dbs h ALA 588 N 1.97 1.00 -0.13 3.86 0.00 -1.51 -3.39 119.26 121.06 3dbs h ALA 588 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.96 3dbs h ALA 588 Cb 0.07 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3dbs h ALA 588 CO -0.00 0.00 -0.11 1.88 0.00 0.00 0.00 179.25 181.02 3dbs h TYR 589 N 0.00 -0.26 -1.01 0.00 -1.99 -1.31 0.45 116.97 112.85 3dbs h TYR 589 Ca 0.00 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.80 3dbs h TYR 589 Cb 0.42 0.14 -0.06 0.00 2.00 0.00 0.00 36.73 39.22 3dbs h TYR 589 CO 0.00 -0.16 0.65 -1.35 -0.00 0.00 0.00 178.16 177.30 3dbs h PRO 590 N -0.12 1.19 -0.01 4.88 0.11 -1.82 -0.15 132.00 136.09 3dbs h PRO 590 Ca 0.09 -0.07 -0.15 0.00 0.11 0.00 0.00 66.00 65.97 3dbs h PRO 590 Cb 0.24 -0.27 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 3dbs h PRO 590 CO -0.20 0.79 -0.71 0.87 -0.21 0.00 0.00 178.00 178.53 3dbs h LYS 591 N 1.22 0.07 -0.03 1.05 1.57 -1.69 -2.56 116.57 116.20 3dbs h LYS 591 Ca 0.42 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 59.04 3dbs h LYS 591 Cb 0.09 0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.42 3dbs h LYS 591 CO -0.15 0.75 -0.37 1.25 -0.57 0.00 0.00 179.45 180.36 3dbs h LEU 592 N 0.05 0.38 0.00 2.94 5.85 -0.06 -2.81 115.31 121.65 3dbs h LEU 592 Ca -0.01 -0.71 0.00 0.00 0.84 0.00 0.00 57.88 57.99 3dbs h LEU 592 Cb 1.26 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 42.18 3dbs h LEU 592 CO 0.10 1.04 0.00 0.49 -0.34 0.00 0.00 178.44 179.73 3dbs n PHE 593 N -4.40 0.00 0.07 1.25 3.01 -0.15 -1.78 117.46 115.47 3dbs n PHE 593 Ca -0.09 0.00 -0.07 0.00 1.01 0.00 0.00 57.45 58.30 3dbs n PHE 593 Cb 0.54 -0.49 -0.08 0.00 -0.01 0.00 0.00 39.48 39.45 3dbs n PHE 593 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3dbs h SER 594 N 0.00 0.04 0.26 4.37 0.02 -1.40 -3.25 113.55 113.60 3dbs h SER 594 Ca 0.00 -0.04 0.00 0.00 -0.84 0.00 0.00 61.79 60.91 3dbs h SER 594 Cb 0.39 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 62.92 3dbs h SER 594 CO 0.00 0.98 0.00 -1.20 -1.14 0.00 0.00 176.83 175.47 3dbs n SER 595 N -3.43 0.00 -4.73 3.07 7.64 -0.73 -4.81 113.62 110.62 3dbs n SER 595 Ca -0.01 -0.13 -0.41 0.00 1.01 0.00 0.00 58.87 59.33 3dbs n SER 595 Cb 0.90 -0.21 -0.05 0.00 -1.01 0.00 0.00 64.21 63.84 3dbs n SER 595 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3dbs s VAL 596 N -2.43 4.40 -0.98 0.44 1.01 -1.22 -4.85 120.40 116.78 3dbs s VAL 596 Ca 0.20 2.04 -0.21 0.00 0.00 0.00 0.00 61.98 64.01 3dbs s VAL 596 Cb 0.13 -4.30 0.08 0.00 0.00 0.00 0.00 36.38 32.29 3dbs s VAL 596 CO 0.27 0.33 1.31 -0.54 0.00 0.00 0.00 175.10 176.47 3dbs s LYS 597 N -0.16 3.59 0.56 2.72 1.02 -1.26 -4.87 119.74 121.34 3dbs s LYS 597 Ca 0.47 -1.39 0.34 0.00 0.02 0.00 0.00 55.97 55.41 3dbs s LYS 597 Cb -0.24 -5.16 1.50 0.00 -0.52 0.00 0.00 37.83 33.41 3dbs s LYS 597 CO 0.30 -2.02 2.04 -1.49 -0.92 0.00 0.00 175.35 173.26 3dbs h TRP 598 N 9.39 0.00 0.00 3.18 4.06 -1.95 -2.91 115.95 127.72 3dbs h TRP 598 Ca 0.18 0.00 0.00 0.00 2.06 0.00 0.00 58.89 61.13 3dbs h TRP 598 Cb 1.02 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.18 3dbs h TRP 598 CO 1.23 0.03 0.00 0.41 -3.56 0.00 0.00 178.44 176.55 3dbs n GLY 599 N -0.17 -0.57 2.93 1.49 0.00 -1.26 -4.44 105.19 103.17 3dbs n GLY 599 Ca -0.00 -0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 3dbs n GLY 599 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3dbs s GLN 600 N -2.00 1.16 0.05 1.61 -0.21 -1.10 -4.81 119.66 114.36 3dbs s GLN 600 Ca 0.01 -0.21 -0.25 0.00 0.02 0.00 0.00 55.36 54.92 3dbs s GLN 600 Cb 0.00 -1.08 -0.17 0.00 1.00 0.00 0.00 33.01 32.76 3dbs s GLN 600 CO 0.00 -0.06 1.54 0.37 -2.12 0.00 0.00 175.29 175.02 3dbs h GLN 601 N 7.21 -0.21 -0.59 2.91 5.75 -1.83 -2.38 115.11 125.96 3dbs h GLN 601 Ca -0.34 0.01 0.10 0.00 -0.15 0.00 0.00 58.65 58.27 3dbs h GLN 601 Cb 1.16 0.05 -0.08 0.00 1.07 0.00 0.00 27.48 29.68 3dbs h GLN 601 CO 0.46 -0.01 0.19 1.49 -2.65 0.00 0.00 178.83 178.30 3dbs h GLU 602 N -0.38 0.34 -0.19 1.69 4.81 -1.96 -1.72 114.58 117.16 3dbs h GLU 602 Ca -0.02 -0.02 -0.17 0.00 -0.13 0.00 0.00 59.36 59.02 3dbs h GLU 602 Cb 0.30 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.60 3dbs h GLU 602 CO 0.04 0.22 -0.56 0.82 -0.73 0.00 0.00 179.01 178.80 3dbs h ILE 603 N 0.35 1.32 -0.67 2.32 2.04 -1.84 -1.42 117.51 119.60 3dbs h ILE 603 Ca 0.30 -1.81 -0.04 0.00 1.00 0.00 0.00 64.86 64.31 3dbs h ILE 603 Cb 0.40 1.78 -0.03 0.00 -0.74 0.00 0.00 36.82 38.23 3dbs h ILE 603 CO -0.33 0.57 0.25 0.58 0.00 0.00 0.00 178.15 179.21 3dbs h VAL 604 N 0.45 1.24 -0.57 1.67 2.07 -1.04 -0.08 116.25 119.98 3dbs h VAL 604 Ca 0.01 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 66.67 3dbs h VAL 604 Cb 1.12 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.33 3dbs h VAL 604 CO 0.11 0.30 0.00 0.00 0.02 0.00 0.00 177.57 178.00 3dbs h ALA 605 N 1.30 0.77 -0.10 1.67 0.00 -1.04 -0.45 119.26 121.41 3dbs h ALA 605 Ca 0.22 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.77 3dbs h ALA 605 Cb 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3dbs h ALA 605 CO -0.02 0.60 -0.22 0.87 0.00 0.00 0.00 179.25 180.48 3dbs h LYS 606 N 0.89 0.17 -0.15 0.00 1.57 -0.79 0.15 116.57 118.42 3dbs h LYS 606 Ca 0.16 -0.05 -0.09 0.00 -1.87 0.00 0.00 60.65 58.81 3dbs h LYS 606 Cb 0.54 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 3dbs h LYS 606 CO 0.03 0.39 -0.30 1.15 -0.57 0.00 0.00 179.45 180.16 3dbs h THR 607 N 0.16 1.26 -0.00 -0.16 2.02 -0.28 -1.54 112.91 114.37 3dbs h THR 607 Ca 0.03 -1.25 -0.19 0.00 0.77 0.00 0.00 66.41 65.77 3dbs h THR 607 Cb 0.49 1.48 -0.01 0.00 -1.74 0.00 0.00 68.15 68.37 3dbs h THR 607 CO 0.03 0.38 -0.85 1.88 0.37 0.00 0.00 175.52 177.34 3dbs h TYR 608 N 0.25 0.22 -0.48 3.16 0.99 0.50 -1.85 116.97 119.76 3dbs h TYR 608 Ca 0.04 -0.12 -0.03 0.00 2.00 0.00 0.00 58.73 60.62 3dbs h TYR 608 Cb 0.65 -0.02 -0.02 0.00 1.00 0.00 0.00 36.73 38.34 3dbs h TYR 608 CO 0.01 0.92 0.19 1.96 -0.00 0.00 0.00 178.16 181.25 3dbs h GLN 609 N 0.08 0.69 0.23 4.88 4.20 -0.84 -2.44 115.11 121.91 3dbs h GLN 609 Ca -0.03 -0.10 -0.01 0.00 0.06 0.00 0.00 58.65 58.57 3dbs h GLN 609 Cb 1.47 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 29.12 3dbs h GLN 609 CO 0.12 0.57 -0.11 -0.07 -0.67 0.00 0.00 178.83 178.67 3dbs h LEU 610 N 0.68 -0.26 -1.73 1.46 3.38 -0.89 -2.93 115.31 115.02 3dbs h LEU 610 Ca 0.17 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3dbs h LEU 610 Cb 0.14 0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.96 3dbs h LEU 610 CO -0.02 0.07 0.00 -0.07 0.09 0.00 0.00 178.44 178.52 3dbs h LEU 611 N -0.62 0.00 -0.33 1.67 3.38 -1.26 -2.67 115.31 115.48 3dbs h LEU 611 Ca -0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.80 3dbs h LEU 611 Cb 0.45 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 3dbs h LEU 611 CO 0.05 0.00 -0.65 0.00 0.09 0.00 0.00 178.44 177.93 3dbs h ALA 612 N 2.05 0.69 -2.59 1.53 0.00 -1.24 -3.33 119.26 116.36 3dbs h ALA 612 Ca 0.00 -0.60 -0.75 0.00 0.00 0.00 0.00 54.91 53.56 3dbs h ALA 612 Cb 0.11 -0.10 -0.32 0.00 0.00 0.00 0.00 17.79 17.48 3dbs h ALA 612 CO 0.00 0.82 0.22 2.89 0.00 0.00 0.00 179.25 183.18 3dbs n ARG 613 N -3.42 3.23 -1.38 0.00 1.85 -1.01 -4.87 116.66 111.07 3dbs n ARG 613 Ca 0.00 -4.49 -0.23 0.00 -1.00 0.00 0.00 57.85 52.13 3dbs n ARG 613 Cb 0.73 -2.48 0.11 0.00 -1.05 0.00 0.00 32.46 29.77 3dbs n ARG 613 CO 0.00 0.00 0.00 -2.13 -0.01 0.00 0.00 177.63 175.49 3dbs n ARG 614 N 2.27 2.67 -0.05 2.89 0.63 -1.25 -4.73 116.66 119.09 3dbs n ARG 614 Ca 0.24 -3.47 -0.10 0.00 -0.92 0.00 0.00 57.85 53.60 3dbs n ARG 614 Cb 0.38 -2.16 -0.04 0.00 0.45 0.00 0.00 32.46 31.09 3dbs n ARG 614 CO 0.00 0.00 0.00 0.93 -2.51 0.00 0.00 177.63 176.05 3dbs h GLU 615 N 1.68 0.28 -0.33 -0.14 5.08 -1.93 -2.08 114.58 117.14 3dbs h GLU 615 Ca 0.46 -0.03 -0.15 0.00 -1.00 0.00 0.00 59.36 58.64 3dbs h GLU 615 Cb 1.48 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 30.66 3dbs h GLU 615 CO 1.02 0.26 -0.39 0.28 -1.00 0.00 0.00 179.01 179.18 3dbs h VAL 616 N 0.23 1.28 0.21 3.13 2.07 -1.87 -2.19 116.25 119.11 3dbs h VAL 616 Ca 0.07 -1.56 -0.01 0.00 0.82 0.00 0.00 66.70 66.02 3dbs h VAL 616 Cb 0.05 1.44 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 3dbs h VAL 616 CO -0.01 0.51 -0.10 -0.25 0.02 0.00 0.00 177.57 177.73 3dbs h TRP 617 N 0.64 -0.27 -0.83 1.57 2.91 -1.82 -0.92 115.95 117.23 3dbs h TRP 617 Ca 0.05 -0.01 0.07 0.00 1.13 0.00 0.00 58.89 60.14 3dbs h TRP 617 Cb 0.94 0.09 -0.05 0.00 -0.51 0.00 0.00 29.16 29.62 3dbs h TRP 617 CO 0.05 -0.04 0.54 -0.44 -1.03 0.00 0.00 178.44 177.52 3dbs h ASP 618 N -0.45 0.78 1.71 2.65 5.19 -1.33 -2.08 116.42 122.89 3dbs h ASP 618 Ca -0.03 0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 3dbs h ASP 618 Cb 0.34 -0.16 0.00 0.00 0.18 0.00 0.00 39.33 39.70 3dbs h ASP 618 CO 0.05 0.49 -0.18 1.56 -3.12 0.00 0.00 179.24 178.04 3dbs h GLN 619 N 0.88 0.00 -7.16 3.56 4.20 -1.31 -3.47 115.11 111.81 3dbs h GLN 619 Ca 0.37 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.55 3dbs h GLN 619 Cb 0.28 0.00 0.12 0.00 0.30 0.00 0.00 27.48 28.18 3dbs h GLN 619 CO -0.14 0.00 0.40 -1.54 -0.67 0.00 0.00 178.83 176.89 3dbs s SER 620 N -5.71 4.78 0.44 1.46 1.04 -0.36 -4.98 113.70 110.37 3dbs s SER 620 Ca 0.06 2.23 -0.23 0.00 0.48 0.00 0.00 55.95 58.50 3dbs s SER 620 Cb 0.07 -2.58 -0.08 0.00 0.10 0.00 0.00 66.02 63.53 3dbs s SER 620 CO 0.68 -1.86 1.10 0.00 0.98 0.00 0.00 173.24 174.14 3dbs s ALA 621 N -2.01 3.00 0.30 5.32 0.00 -1.26 -4.95 121.76 122.15 3dbs s ALA 621 Ca 0.72 0.81 -0.30 0.00 0.00 0.00 0.00 51.96 53.19 3dbs s ALA 621 Cb -0.26 -3.32 -0.11 0.00 0.00 0.00 0.00 23.12 19.43 3dbs s ALA 621 CO 0.40 -0.45 1.52 -1.17 0.00 0.00 0.00 175.76 176.07 3dbs s LEU 622 N -2.93 4.36 -0.21 0.00 2.96 -1.26 -5.01 118.68 116.59 3dbs s LEU 622 Ca 0.62 2.88 -0.01 0.00 -0.22 0.00 0.00 54.13 57.40 3dbs s LEU 622 Cb -0.25 -3.64 0.06 0.00 0.50 0.00 0.00 46.19 42.86 3dbs s LEU 622 CO 0.30 -0.83 -0.03 -0.62 -1.32 0.00 0.00 176.35 173.86 3dbs s ASP 623 N 0.30 3.40 0.17 3.68 -1.08 -1.26 -5.03 116.67 116.86 3dbs s ASP 623 Ca 0.60 -0.98 -0.07 0.00 -0.52 0.00 0.00 52.55 51.57 3dbs s ASP 623 Cb -0.46 -0.97 0.05 0.00 -1.46 0.00 0.00 42.92 40.09 3dbs s ASP 623 CO 0.49 -0.25 1.52 0.58 0.52 0.00 0.00 175.17 178.04 3dbs h VAL 624 N 6.57 1.28 -0.17 1.11 2.07 -1.98 0.24 116.25 125.37 3dbs h VAL 624 Ca -0.19 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.78 3dbs h VAL 624 Cb 1.09 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 3dbs h VAL 624 CO 0.39 0.51 0.10 1.23 0.02 0.00 0.00 177.57 179.82 3dbs h GLY 625 N 0.88 0.23 1.01 2.17 0.00 -1.91 0.90 103.07 106.36 3dbs h GLY 625 Ca 0.06 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 47.30 3dbs h GLY 625 CO 0.09 0.08 0.42 -2.00 0.00 0.00 0.00 176.54 175.13 3dbs h LEU 626 N 0.21 0.93 -0.01 3.11 6.46 -1.84 -2.10 115.31 122.07 3dbs h LEU 626 Ca 0.06 -0.09 -0.01 0.00 -0.12 0.00 0.00 57.88 57.72 3dbs h LEU 626 Cb -0.01 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 39.68 3dbs h LEU 626 CO -0.02 0.75 -0.03 0.74 -0.62 0.00 0.00 178.44 179.26 3dbs h THR 627 N 1.04 1.45 -0.95 1.05 2.02 -0.62 -2.85 112.91 114.05 3dbs h THR 627 Ca 0.27 -1.38 0.28 0.00 0.77 0.00 0.00 66.41 66.34 3dbs h THR 627 Cb 0.02 2.35 -0.14 0.00 -1.74 0.00 0.00 68.15 68.64 3dbs h THR 627 CO -0.04 0.36 0.45 0.24 0.37 0.00 0.00 175.52 176.90 3dbs h MET 628 N -0.51 0.32 -0.34 6.66 2.86 -0.76 -2.17 114.93 120.99 3dbs h MET 628 Ca 0.00 -0.02 -0.01 0.00 -2.06 0.00 0.00 59.70 57.61 3dbs h MET 628 Cb 0.61 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.18 3dbs h MET 628 CO 0.01 0.21 0.18 1.96 1.06 0.00 0.00 176.91 180.33 3dbs h GLN 629 N 0.33 0.45 0.00 1.72 4.20 -1.13 -0.22 115.11 120.46 3dbs h GLN 629 Ca 0.65 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 59.32 3dbs h GLN 629 Cb 1.38 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.07 3dbs h GLN 629 CO -0.60 0.34 0.00 1.28 -0.67 0.00 0.00 178.83 179.18 3dbs n LEU 630 N -4.45 0.55 -0.75 1.46 4.77 -0.82 -3.13 117.00 114.63 3dbs n LEU 630 Ca 0.02 0.56 0.13 0.00 -0.03 0.00 0.00 56.01 56.69 3dbs n LEU 630 Cb 0.10 -0.40 0.30 0.00 -2.33 0.00 0.00 43.42 41.09 3dbs n LEU 630 CO 0.36 -0.17 0.74 0.18 -1.33 0.00 0.00 177.39 177.17 3dbs n LEU 631 N -2.03 2.33 0.00 2.23 4.77 -0.11 -4.52 117.00 119.67 3dbs n LEU 631 Ca 0.06 -0.81 -0.14 0.00 -0.03 0.00 0.00 56.01 55.08 3dbs n LEU 631 Cb 0.38 -0.03 0.10 0.00 -2.33 0.00 0.00 43.42 41.53 3dbs n LEU 631 CO 0.28 0.41 0.40 -0.90 -1.33 0.00 0.00 177.39 176.24 3dbs n ASP 632 N 0.81 -0.06 0.19 -1.43 5.68 -1.10 -4.79 116.55 115.85 3dbs n ASP 632 Ca 0.17 -1.19 0.14 0.00 -0.50 0.00 0.00 54.79 53.40 3dbs n ASP 632 Cb 0.48 -0.47 0.63 0.00 -1.14 0.00 0.00 41.12 40.62 3dbs n ASP 632 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 3dbs n ASN 634 N -2.51 0.00 -3.74 0.00 4.13 -1.26 -3.81 115.26 108.08 3dbs n ASN 634 Ca 0.00 -0.59 -0.28 0.00 1.68 0.00 0.00 54.58 55.39 3dbs n ASN 634 Cb 0.19 -0.10 -0.16 0.00 -1.54 0.00 0.00 39.78 38.16 3dbs n ASN 634 CO 0.00 0.00 0.00 -0.36 0.28 0.00 0.00 177.26 177.18 3dbs s PHE 635 N -2.20 1.05 -1.25 3.10 0.40 -1.14 -4.77 117.98 113.18 3dbs s PHE 635 Ca 0.36 -0.89 0.11 0.00 -0.60 0.00 0.00 56.93 55.91 3dbs s PHE 635 Cb 0.19 -1.05 0.18 0.00 0.51 0.00 0.00 43.02 42.85 3dbs s PHE 635 CO 0.35 -0.62 1.03 0.43 0.70 0.00 0.00 175.22 177.10 3dbs n SER 636 N 5.04 2.36 -4.70 1.36 7.64 -1.26 -4.85 113.62 119.21 3dbs n SER 636 Ca -0.09 -1.69 -0.40 0.00 1.01 0.00 0.00 58.87 57.70 3dbs n SER 636 Cb 0.47 -0.10 -0.05 0.00 -1.01 0.00 0.00 64.21 63.53 3dbs n SER 636 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3dbs s ASP 637 N -0.98 6.94 0.40 6.43 -1.08 -1.26 -4.68 116.67 122.44 3dbs s ASP 637 Ca 0.18 1.14 0.15 0.00 -0.52 0.00 0.00 52.55 53.50 3dbs s ASP 637 Cb 0.11 -2.41 0.84 0.00 -1.46 0.00 0.00 42.92 40.00 3dbs s ASP 637 CO 0.15 -0.19 1.87 1.05 0.52 0.00 0.00 175.17 178.58 3dbs h GLU 638 N 6.96 0.00 0.10 4.34 4.11 -1.93 -1.82 114.58 126.33 3dbs h GLU 638 Ca -0.38 0.00 -0.28 0.00 0.07 0.00 0.00 59.36 58.78 3dbs h GLU 638 Cb 1.18 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.46 3dbs h GLU 638 CO 0.77 0.32 -1.14 -0.91 0.07 0.00 0.00 179.01 178.11 3dbs h ASN 639 N 0.00 0.83 -0.08 3.06 2.35 -1.98 -1.26 115.58 118.50 3dbs h ASN 639 Ca -0.00 -0.82 0.04 0.00 -0.55 0.00 0.00 56.30 54.97 3dbs h ASN 639 Cb 0.59 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.65 3dbs h ASN 639 CO 0.04 1.56 -0.26 0.58 -1.65 0.00 0.00 177.43 177.70 3dbs h VAL 640 N 0.22 0.39 0.00 2.81 2.07 -1.92 -2.41 116.25 117.40 3dbs h VAL 640 Ca -0.17 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 3dbs h VAL 640 Cb 1.83 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.98 3dbs h VAL 640 CO 0.22 0.00 -0.16 0.03 0.02 0.00 0.00 177.57 177.68 3dbs h ARG 641 N -0.36 0.00 -0.05 1.57 3.08 -1.33 -2.03 114.38 115.25 3dbs h ARG 641 Ca 0.08 0.00 -0.15 0.00 0.07 0.00 0.00 59.98 59.98 3dbs h ARG 641 Cb 0.49 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.52 3dbs h ARG 641 CO -0.29 0.16 -0.64 0.00 -1.07 0.00 0.00 179.97 178.13 3dbs h ALA 642 N 1.84 0.82 0.00 0.04 0.00 -0.81 -1.88 119.26 119.27 3dbs h ALA 642 Ca -0.00 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.28 3dbs h ALA 642 Cb 0.34 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 3dbs h ALA 642 CO 0.02 0.76 -0.30 -0.84 0.00 0.00 0.00 179.25 178.89 3dbs h ILE 643 N 0.15 0.85 -0.01 0.00 3.07 -0.90 -0.28 117.51 120.40 3dbs h ILE 643 Ca -0.01 -1.20 -0.02 0.00 1.55 0.00 0.00 64.86 65.19 3dbs h ILE 643 Cb 1.16 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 39.44 3dbs h ILE 643 CO 0.10 0.29 -0.06 0.00 -1.05 0.00 0.00 178.15 177.43 3dbs h ALA 644 N 1.70 0.02 -0.42 0.16 0.00 -1.43 -3.14 119.26 116.15 3dbs h ALA 644 Ca -0.00 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.58 3dbs h ALA 644 Cb 0.70 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 3dbs h ALA 644 CO 0.04 -0.10 0.28 0.28 0.00 0.00 0.00 179.25 179.75 3dbs h VAL 645 N -0.59 1.02 -0.46 0.00 2.07 -1.02 -1.57 116.25 115.71 3dbs h VAL 645 Ca -0.00 -0.15 0.07 0.00 0.82 0.00 0.00 66.70 67.43 3dbs h VAL 645 Cb 0.73 0.55 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 3dbs h VAL 645 CO 0.01 0.08 0.13 -0.61 0.02 0.00 0.00 177.57 177.20 3dbs h GLN 646 N 0.43 0.28 -0.79 1.57 4.15 -1.07 -1.84 115.11 117.85 3dbs h GLN 646 Ca 0.17 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.58 3dbs h GLN 646 Cb 0.15 -0.06 -0.04 0.00 0.21 0.00 0.00 27.48 27.73 3dbs h GLN 646 CO -0.04 0.18 0.50 0.87 -1.93 0.00 0.00 178.83 178.41 3dbs h LYS 647 N 0.29 1.05 -0.19 1.69 6.56 -1.24 -2.59 116.57 122.12 3dbs h LYS 647 Ca 0.22 -0.08 -0.03 0.00 -1.06 0.00 0.00 60.65 59.71 3dbs h LYS 647 Cb 0.25 -0.23 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 3dbs h LYS 647 CO -0.25 0.71 -0.01 -0.07 -2.06 0.00 0.00 179.45 177.77 3dbs h LEU 648 N 1.07 0.26 -2.09 2.94 3.38 -1.08 -2.53 115.31 117.27 3dbs h LEU 648 Ca 0.29 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3dbs h LEU 648 Cb -0.08 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.60 3dbs h LEU 648 CO -0.06 0.32 0.18 -0.33 0.09 0.00 0.00 178.44 178.64 3dbs h GLU 649 N 0.28 0.00 -0.00 1.13 4.39 -1.09 -0.69 114.58 118.59 3dbs h GLU 649 Ca 0.06 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3dbs h GLU 649 Cb 0.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 3dbs h GLU 649 CO 0.01 0.00 -0.41 -1.13 -1.16 0.00 0.00 179.01 176.32 3dbs n SER 650 N -2.75 0.81 -4.77 1.42 3.41 -0.95 -4.88 113.62 105.91 3dbs n SER 650 Ca -0.02 -0.62 -0.41 0.00 -0.26 0.00 0.00 58.87 57.56 3dbs n SER 650 Cb 0.23 0.24 -0.02 0.00 -0.26 0.00 0.00 64.21 64.40 3dbs n SER 650 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3dbs s LEU 651 N -2.75 4.38 0.58 1.04 1.43 -0.27 -5.05 118.68 118.05 3dbs s LEU 651 Ca 0.17 2.73 -0.04 0.00 -1.03 0.00 0.00 54.13 55.97 3dbs s LEU 651 Cb 0.18 -3.69 0.02 0.00 0.03 0.00 0.00 46.19 42.74 3dbs s LEU 651 CO 0.62 -0.62 0.86 -1.83 0.23 0.00 0.00 176.35 175.61 3dbs s GLU 652 N -1.90 2.70 0.48 1.70 -1.05 -1.26 -4.89 118.70 114.49 3dbs s GLU 652 Ca 0.51 -0.30 0.15 0.00 -0.15 0.00 0.00 54.97 55.18 3dbs s GLU 652 Cb -0.40 -2.34 1.13 0.00 -0.44 0.00 0.00 34.13 32.08 3dbs s GLU 652 CO 0.54 -0.75 2.08 -0.44 0.95 0.00 0.00 175.26 177.63 3dbs h ASP 653 N -0.13 0.02 -0.59 0.83 3.32 -1.97 -1.68 116.42 116.22 3dbs h ASP 653 Ca -0.45 -0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.66 3dbs h ASP 653 Cb 1.28 -0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.77 3dbs h ASP 653 CO 0.58 0.10 0.29 -0.78 -1.72 0.00 0.00 179.24 177.71 3dbs h ASP 654 N 0.02 0.40 0.84 6.45 3.58 -1.95 -2.26 116.42 123.51 3dbs h ASP 654 Ca 0.00 0.04 -0.24 0.00 0.42 0.00 0.00 57.03 57.26 3dbs h ASP 654 Cb 0.14 -0.03 -0.02 0.00 1.72 0.00 0.00 39.33 41.14 3dbs h ASP 654 CO 0.01 0.26 -1.12 0.44 -2.88 0.00 0.00 179.24 175.95 3dbs h ASP 655 N 0.55 0.16 -0.20 2.28 3.32 -1.72 -3.18 116.42 117.62 3dbs h ASP 655 Ca 0.27 -0.17 0.01 0.00 0.02 0.00 0.00 57.03 57.16 3dbs h ASP 655 Cb 0.22 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 3dbs h ASP 655 CO -0.20 1.14 0.12 0.58 -1.72 0.00 0.00 179.24 179.15 3dbs h VAL 656 N 0.03 1.03 -0.31 -1.35 2.07 -1.25 -2.02 116.25 114.46 3dbs h VAL 656 Ca -0.07 -0.09 0.03 0.00 0.82 0.00 0.00 66.70 67.39 3dbs h VAL 656 Cb 1.85 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.37 3dbs h VAL 656 CO 0.15 0.05 0.21 -0.07 0.02 0.00 0.00 177.57 177.93 3dbs h LEU 657 N 0.25 0.26 -1.32 2.57 3.38 -1.52 0.30 115.31 119.24 3dbs h LEU 657 Ca 0.07 -0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.99 3dbs h LEU 657 Cb -0.01 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 3dbs h LEU 657 CO -0.03 0.18 -0.13 0.45 0.09 0.00 0.00 178.44 179.01 3dbs h HIS 658 N 0.31 0.32 -0.04 1.13 3.86 -1.35 -3.26 115.15 116.10 3dbs h HIS 658 Ca 0.13 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 3dbs h HIS 658 Cb 0.13 -0.09 0.00 0.00 1.06 0.00 0.00 27.41 28.51 3dbs h HIS 658 CO -0.00 0.43 0.00 0.66 0.86 0.00 0.00 177.93 179.88 3dbs n TYR 659 N -4.26 0.05 -0.14 2.45 4.02 -0.47 -4.80 117.16 114.02 3dbs n TYR 659 Ca -0.00 -0.08 -0.07 0.00 -0.01 0.00 0.00 57.90 57.74 3dbs n TYR 659 Cb 0.28 -0.01 0.02 0.00 -0.02 0.00 0.00 39.34 39.61 3dbs n TYR 659 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 3dbs h LEU 660 N 1.37 0.43 -0.49 7.72 5.85 -0.50 -0.08 115.31 129.61 3dbs h LEU 660 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 3dbs h LEU 660 Cb 0.35 -0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 3dbs h LEU 660 CO 0.00 0.31 0.31 0.25 -0.34 0.00 0.00 178.44 178.97 3dbs h LEU 661 N 0.53 0.51 -1.19 2.25 5.85 -1.86 -0.19 115.31 121.21 3dbs h LEU 661 Ca 0.17 -0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.80 3dbs h LEU 661 Cb -0.00 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.90 3dbs h LEU 661 CO -0.07 0.37 -0.40 -0.61 -0.34 0.00 0.00 178.44 177.39 3dbs h GLN 662 N 0.62 0.00 -0.01 1.25 5.75 -1.71 -1.07 115.11 119.94 3dbs h GLN 662 Ca 0.19 0.00 -0.17 0.00 -0.15 0.00 0.00 58.65 58.52 3dbs h GLN 662 Cb -0.03 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 28.51 3dbs h GLN 662 CO -0.07 0.40 -0.77 -0.07 -2.65 0.00 0.00 178.83 175.67 3dbs h LEU 663 N 0.00 0.14 -0.29 -2.39 3.38 -0.58 -2.50 115.31 113.06 3dbs h LEU 663 Ca -0.00 -0.10 -0.14 0.00 0.09 0.00 0.00 57.88 57.73 3dbs h LEU 663 Cb 0.72 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.43 3dbs h LEU 663 CO 0.05 0.85 -0.36 0.58 0.09 0.00 0.00 178.44 179.65 3dbs h VAL 664 N 0.07 1.30 -0.14 1.22 2.07 -0.66 -2.82 116.25 117.28 3dbs h VAL 664 Ca -0.02 -1.55 -0.04 0.00 0.82 0.00 0.00 66.70 65.91 3dbs h VAL 664 Cb 1.36 1.60 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 3dbs h VAL 664 CO 0.11 0.50 -0.09 1.56 0.02 0.00 0.00 177.57 179.67 3dbs h GLN 665 N 0.52 0.21 0.00 1.57 1.08 -1.23 -2.67 115.11 114.60 3dbs h GLN 665 Ca 0.04 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3dbs h GLN 665 Cb 0.95 -0.03 0.00 0.00 -0.05 0.00 0.00 27.48 28.35 3dbs h GLN 665 CO 0.09 0.31 0.00 0.00 -0.95 0.00 0.00 178.83 178.28 3dbs n ALA 666 N -2.50 1.66 0.29 3.87 0.00 -0.95 -1.49 120.51 121.40 3dbs n ALA 666 Ca -0.01 0.05 0.17 0.00 0.00 0.00 0.00 53.44 53.64 3dbs n ALA 666 Cb 0.23 -1.34 0.89 0.00 0.00 0.00 0.00 19.45 19.23 3dbs n ALA 666 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3dbs h VAL 667 N 0.00 0.31 0.00 0.00 2.07 -1.41 -2.39 116.25 114.83 3dbs h VAL 667 Ca 0.00 -0.30 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 3dbs h VAL 667 Cb 0.33 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.31 3dbs h VAL 667 CO 0.00 0.05 -0.07 0.11 0.02 0.00 0.00 177.57 177.67 3dbs h LYS 668 N 0.00 0.00 -0.01 1.57 1.57 -1.44 -2.68 116.57 115.58 3dbs h LYS 668 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3dbs h LYS 668 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 3dbs h LYS 668 CO 0.01 0.07 -0.45 1.19 -0.57 0.00 0.00 179.45 179.70 3dbs n PHE 669 N -3.68 0.00 -2.22 -1.35 0.99 -0.90 -4.87 117.46 105.43 3dbs n PHE 669 Ca -0.02 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 57.01 3dbs n PHE 669 Cb 0.18 -0.11 -0.03 0.00 -1.00 0.00 0.00 39.48 38.53 3dbs n PHE 669 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 3dbs s GLU 670 N -2.66 4.33 0.31 -1.08 0.41 -1.01 -4.87 118.70 114.12 3dbs s GLU 670 Ca 0.18 2.00 -0.01 0.00 -0.41 0.00 0.00 54.97 56.73 3dbs s GLU 670 Cb 0.18 -3.35 0.49 0.00 -1.78 0.00 0.00 34.13 29.67 3dbs s GLU 670 CO 0.61 -0.45 1.97 -1.00 -0.49 0.00 0.00 175.26 175.91 3dbs h PRO 671 N 7.09 1.00 -6.43 0.39 0.13 -1.89 -3.45 132.00 128.84 3dbs h PRO 671 Ca -0.41 -0.07 -0.67 0.00 -0.87 0.00 0.00 66.00 63.99 3dbs h PRO 671 Cb 1.20 -0.22 -0.15 0.00 0.13 0.00 0.00 31.00 31.96 3dbs h PRO 671 CO 0.87 0.68 -0.71 0.71 -0.23 0.00 0.00 178.00 179.31 3dbs s TYR 672 N -5.82 2.84 0.19 1.56 1.51 -1.26 -4.89 117.35 111.48 3dbs s TYR 672 Ca -0.11 -0.10 -0.12 0.00 -1.01 0.00 0.00 57.07 55.73 3dbs s TYR 672 Cb 0.18 -1.51 0.12 0.00 -0.11 0.00 0.00 41.96 40.63 3dbs s TYR 672 CO 0.79 0.42 1.86 0.45 -1.11 0.00 0.00 175.55 177.95 3dbs h HIS 673 N 3.86 0.81 -3.34 2.71 3.86 -1.93 -3.38 115.15 117.74 3dbs h HIS 673 Ca -0.48 0.02 -0.57 0.00 -1.16 0.00 0.00 60.37 58.17 3dbs h HIS 673 Cb 1.17 -0.27 -0.07 0.00 1.06 0.00 0.00 27.41 29.30 3dbs h HIS 673 CO 0.59 0.50 0.29 0.34 0.86 0.00 0.00 177.93 180.52 3dbs s ASP 674 N -5.78 6.96 0.08 2.45 -1.08 -1.26 -4.91 116.67 113.13 3dbs s ASP 674 Ca -0.13 1.17 -0.13 0.00 -0.52 0.00 0.00 52.55 52.94 3dbs s ASP 674 Cb 0.14 -2.44 0.02 0.00 -1.46 0.00 0.00 42.92 39.18 3dbs s ASP 674 CO 0.76 -0.32 0.31 -0.94 0.52 0.00 0.00 175.17 175.50 3dbs s SER 675 N 1.07 -0.10 0.42 -0.34 1.04 -1.26 -5.03 113.70 109.51 3dbs s SER 675 Ca 0.38 -0.36 0.15 0.00 0.48 0.00 0.00 55.95 56.59 3dbs s SER 675 Cb -0.17 0.39 1.02 0.00 0.10 0.00 0.00 66.02 67.36 3dbs s SER 675 CO 0.14 -0.73 1.92 0.00 0.98 0.00 0.00 173.24 175.55 3dbs h ALA 676 N 2.78 2.07 0.13 5.32 0.00 -1.95 -2.00 119.26 125.60 3dbs h ALA 676 Ca -0.33 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 3dbs h ALA 676 Cb 1.22 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3dbs h ALA 676 CO 0.49 -0.27 -0.06 1.25 0.00 0.00 0.00 179.25 180.66 3dbs h LEU 677 N 0.46 -0.15 -1.13 0.00 5.85 -1.95 -1.04 115.31 117.34 3dbs h LEU 677 Ca 0.38 -0.40 0.18 0.00 0.84 0.00 0.00 57.88 58.87 3dbs h LEU 677 Cb 0.81 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.79 3dbs h LEU 677 CO -0.13 0.40 0.61 0.00 -0.34 0.00 0.00 178.44 178.98 3dbs h ALA 678 N -0.10 1.77 -0.01 1.25 0.00 -1.86 -0.81 119.26 119.50 3dbs h ALA 678 Ca -0.02 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.77 3dbs h ALA 678 Cb 0.54 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 3dbs h ALA 678 CO 0.03 -0.10 -0.78 0.00 0.00 0.00 0.00 179.25 178.40 3dbs h ARG 679 N 0.72 0.14 -0.62 0.00 3.08 -1.36 -2.20 114.38 114.15 3dbs h ARG 679 Ca 0.54 -0.14 -0.10 0.00 0.07 0.00 0.00 59.98 60.35 3dbs h ARG 679 Cb 0.88 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.94 3dbs h ARG 679 CO -0.31 0.85 0.01 0.35 -1.07 0.00 0.00 179.97 179.81 3dbs h PHE 680 N 0.09 1.18 -0.30 3.04 3.57 0.20 -1.66 116.94 123.06 3dbs h PHE 680 Ca -0.02 -0.20 -0.07 0.00 3.53 0.00 0.00 57.97 61.20 3dbs h PHE 680 Cb 1.36 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.78 3dbs h PHE 680 CO 0.02 1.03 -0.09 -0.07 -2.23 0.00 0.00 178.31 176.97 3dbs h LEU 681 N 0.99 0.61 -0.59 0.59 3.38 -1.29 -0.81 115.31 118.19 3dbs h LEU 681 Ca 0.18 -0.38 0.11 0.00 0.09 0.00 0.00 57.88 57.88 3dbs h LEU 681 Cb 0.55 -0.17 -0.09 0.00 0.09 0.00 0.00 40.66 41.05 3dbs h LEU 681 CO 0.03 0.84 0.11 0.25 0.09 0.00 0.00 178.44 179.76 3dbs h LEU 682 N 0.36 -0.03 -0.07 1.67 6.46 -1.25 0.14 115.31 122.59 3dbs h LEU 682 Ca 0.07 0.11 -0.03 0.00 -0.12 0.00 0.00 57.88 57.92 3dbs h LEU 682 Cb 0.59 0.16 -0.00 0.00 -0.73 0.00 0.00 40.66 40.68 3dbs h LEU 682 CO 0.03 -0.00 -0.08 0.50 -0.62 0.00 0.00 178.44 178.27 3dbs h LYS 683 N 0.24 0.18 -0.14 1.25 3.64 -1.17 -2.16 116.57 118.41 3dbs h LYS 683 Ca 0.31 -0.10 -0.09 0.00 -1.27 0.00 0.00 60.65 59.50 3dbs h LYS 683 Cb 0.47 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 3dbs h LYS 683 CO -0.41 0.63 -0.33 0.00 -2.27 0.00 0.00 179.45 177.07 3dbs h ARG 684 N -0.26 0.29 -0.26 1.90 2.47 -0.86 -2.09 114.38 115.56 3dbs h ARG 684 Ca 0.01 -0.12 -0.10 0.00 -1.26 0.00 0.00 59.98 58.52 3dbs h ARG 684 Cb 0.61 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 28.91 3dbs h ARG 684 CO 0.02 0.59 -0.22 0.78 0.56 0.00 0.00 179.97 181.70 3dbs h GLY 685 N 1.10 0.66 2.00 0.04 0.00 -0.69 -2.90 103.07 103.28 3dbs h GLY 685 Ca 0.03 -0.66 -0.08 0.00 0.00 0.00 0.00 47.33 46.63 3dbs h GLY 685 CO 0.05 0.59 -0.37 1.41 0.00 0.00 0.00 176.54 178.22 3dbs h LEU 686 N 0.33 0.00 -0.12 3.11 3.38 -1.29 -2.83 115.31 117.89 3dbs h LEU 686 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 3dbs h LEU 686 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 3dbs h LEU 686 CO 0.06 0.37 0.00 -0.09 0.09 0.00 0.00 178.44 178.87 3dbs h ARG 687 N 0.00 0.00 -2.93 1.13 2.43 -1.29 -3.44 114.38 110.28 3dbs h ARG 687 Ca -0.00 0.00 -0.35 0.00 -0.81 0.00 0.00 59.98 58.81 3dbs h ARG 687 Cb 0.77 0.00 -0.38 0.00 -0.42 0.00 0.00 29.97 29.94 3dbs h ARG 687 CO 0.05 0.00 -0.68 1.21 -1.51 0.00 0.00 179.97 179.04 3dbs s ASN 688 N -5.26 1.41 0.45 -3.80 3.84 -1.10 -4.89 114.94 105.58 3dbs s ASN 688 Ca 0.08 -0.12 0.17 0.00 0.21 0.00 0.00 52.86 53.20 3dbs s ASN 688 Cb 0.09 0.12 1.10 0.00 -0.55 0.00 0.00 41.25 42.02 3dbs s ASN 688 CO 0.61 -0.30 1.95 0.11 -2.79 0.00 0.00 177.10 176.68 3dbs h LYS 689 N 8.37 0.33 0.18 0.43 1.57 -1.82 0.33 116.57 125.96 3dbs h LYS 689 Ca -0.15 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.60 3dbs h LYS 689 Cb 1.14 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 33.37 3dbs h LYS 689 CO 0.22 0.22 -0.09 -0.09 -0.57 0.00 0.00 179.45 179.15 3dbs h ARG 690 N 0.34 -0.24 -0.78 3.15 2.43 -1.91 0.13 114.38 117.50 3dbs h ARG 690 Ca 0.32 0.02 0.08 0.00 -0.81 0.00 0.00 59.98 59.59 3dbs h ARG 690 Cb 0.78 0.05 -0.07 0.00 -0.42 0.00 0.00 29.97 30.32 3dbs h ARG 690 CO -0.09 0.16 0.44 0.82 -1.51 0.00 0.00 179.97 179.80 3dbs h ILE 691 N -0.74 0.93 -0.47 1.20 2.04 -1.72 -1.67 117.51 117.08 3dbs h ILE 691 Ca -0.03 -0.26 0.09 0.00 1.00 0.00 0.00 64.86 65.66 3dbs h ILE 691 Cb 0.51 0.09 -0.07 0.00 -0.74 0.00 0.00 36.82 36.61 3dbs h ILE 691 CO 0.04 0.14 0.03 1.23 0.00 0.00 0.00 178.15 179.59 3dbs h GLY 692 N 0.77 0.50 0.95 5.37 0.00 -0.13 0.71 103.07 111.24 3dbs h GLY 692 Ca 0.37 0.04 -0.00 0.00 0.00 0.00 0.00 47.33 47.73 3dbs h GLY 692 CO -0.23 -0.11 0.09 0.84 0.00 0.00 0.00 176.54 177.13 3dbs h HIS 693 N 0.14 0.22 0.00 5.60 -0.00 -0.05 -0.58 115.15 120.48 3dbs h HIS 693 Ca 0.23 -0.00 -0.03 0.00 -0.00 0.00 0.00 60.37 60.57 3dbs h HIS 693 Cb 0.34 -0.07 -0.00 0.00 -0.00 0.00 0.00 27.41 27.67 3dbs h HIS 693 CO -0.28 0.20 -0.15 0.74 -0.00 0.00 0.00 177.93 178.45 3dbs h PHE 694 N 0.17 0.00 -0.23 5.26 -1.00 -1.24 -3.00 116.94 116.90 3dbs h PHE 694 Ca 0.06 0.00 -0.19 0.00 2.81 0.00 0.00 57.97 60.64 3dbs h PHE 694 Cb 0.05 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.61 3dbs h PHE 694 CO -0.05 0.15 -0.61 1.25 -1.61 0.00 0.00 178.31 177.44 3dbs h LEU 695 N 0.00 0.91 0.01 1.54 5.85 -0.31 -2.04 115.31 121.26 3dbs h LEU 695 Ca -0.00 -0.52 0.02 0.00 0.84 0.00 0.00 57.88 58.22 3dbs h LEU 695 Cb 0.87 -0.26 -0.05 0.00 0.37 0.00 0.00 40.66 41.59 3dbs h LEU 695 CO 0.02 1.30 -0.49 0.15 -0.34 0.00 0.00 178.44 179.09 3dbs h PHE 696 N 0.59 -1.43 0.00 1.25 3.57 -0.99 -2.08 116.94 117.85 3dbs h PHE 696 Ca -0.00 0.04 -0.08 0.00 3.53 0.00 0.00 57.97 61.46 3dbs h PHE 696 Cb 1.22 0.62 -0.01 0.00 2.79 0.00 0.00 35.95 40.57 3dbs h PHE 696 CO 0.07 -0.52 -0.40 -1.49 -2.23 0.00 0.00 178.31 173.73 3dbs h TRP 697 N -0.62 0.00 -0.18 0.41 4.06 -1.49 -0.09 115.95 118.04 3dbs h TRP 697 Ca 0.01 0.00 -0.11 0.00 2.06 0.00 0.00 58.89 60.85 3dbs h TRP 697 Cb 0.66 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.82 3dbs h TRP 697 CO -0.50 0.40 -0.31 0.74 -3.56 0.00 0.00 178.44 175.22 3dbs h PHE 698 N 0.00 0.66 -0.37 0.49 0.05 -1.37 -0.49 116.94 115.91 3dbs h PHE 698 Ca -0.00 -0.23 -0.01 0.00 3.82 0.00 0.00 57.97 61.54 3dbs h PHE 698 Cb 0.79 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.60 3dbs h PHE 698 CO 0.00 0.95 0.17 -0.07 -0.18 0.00 0.00 178.31 179.18 3dbs h LEU 699 N 0.17 0.48 -0.88 1.54 3.38 -1.18 -2.99 115.31 115.83 3dbs h LEU 699 Ca 0.01 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.74 3dbs h LEU 699 Cb 0.90 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.51 3dbs h LEU 699 CO 0.07 0.48 -0.48 -0.09 0.09 0.00 0.00 178.44 178.51 3dbs h ARG 700 N 0.46 0.19 -0.18 1.13 2.43 -1.03 -1.24 114.38 116.13 3dbs h ARG 700 Ca 0.13 -0.10 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3dbs h ARG 700 Cb 0.12 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3dbs h ARG 700 CO -0.02 0.63 0.09 0.66 -1.51 0.00 0.00 179.97 179.83 3dbs h SER 701 N 0.15 0.14 -0.38 -3.80 4.64 -1.05 -2.14 113.55 111.11 3dbs h SER 701 Ca 0.01 0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 3dbs h SER 701 Cb 0.91 -0.02 -0.01 0.00 -0.31 0.00 0.00 62.40 62.96 3dbs h SER 701 CO 0.07 0.11 -0.09 -0.33 -0.87 0.00 0.00 176.83 175.71 3dbs h GLU 702 N 0.20 0.74 -0.93 4.77 4.39 -1.38 -3.01 114.58 119.37 3dbs h GLU 702 Ca 0.07 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.52 3dbs h GLU 702 Cb 0.01 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 28.57 3dbs h GLU 702 CO -0.05 0.88 0.61 0.82 -1.16 0.00 0.00 179.01 180.12 3dbs h ILE 703 N 0.55 1.18 0.00 3.13 2.04 -1.15 -1.93 117.51 121.32 3dbs h ILE 703 Ca 0.10 -0.41 -0.12 0.00 1.00 0.00 0.00 64.86 65.43 3dbs h ILE 703 Cb 0.61 -0.12 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 3dbs h ILE 703 CO 0.04 0.22 -0.56 0.00 0.00 0.00 0.00 178.15 177.85 3dbs h ALA 704 N 1.45 1.05 0.00 1.87 0.00 -1.34 -3.37 119.26 118.92 3dbs h ALA 704 Ca 0.36 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.68 3dbs h ALA 704 Cb -0.03 -0.09 -0.18 0.00 0.00 0.00 0.00 17.79 17.49 3dbs h ALA 704 CO -0.10 0.70 -0.71 0.00 0.00 0.00 0.00 179.25 179.14 3dbs n GLN 705 N -3.83 0.66 -3.37 0.00 10.64 -0.96 -4.42 117.38 116.11 3dbs n GLN 705 Ca -0.01 -2.40 -0.14 0.00 -1.83 0.00 0.00 57.00 52.62 3dbs n GLN 705 Cb 0.57 -0.74 -0.08 0.00 -0.86 0.00 0.00 30.24 29.12 3dbs n GLN 705 CO 0.00 0.00 0.00 0.45 -1.83 0.00 0.00 177.06 175.68 3dbs s SER 706 N -2.40 1.18 0.52 2.61 0.15 -0.77 -4.98 113.70 110.02 3dbs s SER 706 Ca 0.32 -0.57 0.30 0.00 0.70 0.00 0.00 55.95 56.69 3dbs s SER 706 Cb 0.33 0.73 1.38 0.00 -1.71 0.00 0.00 66.02 66.75 3dbs s SER 706 CO -0.10 -0.37 2.01 0.03 1.20 0.00 0.00 173.24 176.01 3dbs h ARG 707 N 8.23 0.00 0.00 5.44 3.08 -1.87 -1.96 114.38 127.29 3dbs h ARG 707 Ca -0.12 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.86 3dbs h ARG 707 Cb 1.10 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.14 3dbs h ARG 707 CO 0.31 0.10 -0.33 0.45 -1.07 0.00 0.00 179.97 179.43 3dbs h HIS 708 N 0.00 0.00 0.00 3.04 3.86 -1.95 -3.34 115.15 116.77 3dbs h HIS 708 Ca -0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3dbs h HIS 708 Cb 0.47 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.94 3dbs h HIS 708 CO 0.00 0.33 -0.12 0.66 0.86 0.00 0.00 177.93 179.66 3dbs n TYR 709 N -3.95 0.00 -0.06 2.45 4.02 -1.17 -4.53 117.16 113.93 3dbs n TYR 709 Ca -0.02 -0.08 -0.06 0.00 -0.01 0.00 0.00 57.90 57.73 3dbs n TYR 709 Cb 0.39 -0.02 0.13 0.00 -0.02 0.00 0.00 39.34 39.83 3dbs n TYR 709 CO 0.00 0.00 0.00 -0.56 -1.01 0.00 0.00 176.86 175.29 3dbs h GLN 710 N 0.00 0.68 -0.21 -0.72 3.07 -1.47 -2.73 115.11 113.73 3dbs h GLN 710 Ca 0.00 -0.26 -0.08 0.00 0.09 0.00 0.00 58.65 58.40 3dbs h GLN 710 Cb 1.05 -0.04 -0.00 0.00 0.08 0.00 0.00 27.48 28.56 3dbs h GLN 710 CO 0.00 0.83 -0.19 1.96 0.09 0.00 0.00 178.83 181.53 3dbs h GLN 711 N 0.61 0.50 0.40 0.06 4.20 -1.87 0.97 115.11 119.98 3dbs h GLN 711 Ca 0.09 -0.26 -0.01 0.00 0.06 0.00 0.00 58.65 58.53 3dbs h GLN 711 Cb 0.67 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 3dbs h GLN 711 CO 0.05 0.83 -0.27 -0.09 -0.67 0.00 0.00 178.83 178.68 3dbs h ARG 712 N 0.19 -0.63 -0.27 1.46 2.43 -1.93 -1.76 114.38 113.87 3dbs h ARG 712 Ca 0.04 0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3dbs h ARG 712 Cb 0.72 0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 3dbs h ARG 712 CO 0.05 -0.42 0.07 0.74 -1.51 0.00 0.00 179.97 178.90 3dbs h PHE 713 N -0.65 0.38 -0.55 2.20 0.05 -1.45 -2.28 116.94 114.64 3dbs h PHE 713 Ca -0.04 -0.01 -0.07 0.00 3.82 0.00 0.00 57.97 61.67 3dbs h PHE 713 Cb 0.54 -0.12 -0.02 0.00 2.00 0.00 0.00 35.95 38.35 3dbs h PHE 713 CO -0.11 0.34 0.07 0.00 -0.18 0.00 0.00 178.31 178.43 3dbs h ALA 714 N 1.70 0.73 -0.84 2.45 0.00 -0.56 0.62 119.26 123.35 3dbs h ALA 714 Ca 0.09 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.73 3dbs h ALA 714 Cb 0.15 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.69 3dbs h ALA 714 CO -0.00 0.49 0.45 0.28 0.00 0.00 0.00 179.25 180.46 3dbs h VAL 715 N 0.81 1.25 -0.27 0.00 2.07 -0.86 -0.17 116.25 119.08 3dbs h VAL 715 Ca 0.16 -0.64 -0.15 0.00 0.82 0.00 0.00 66.70 66.90 3dbs h VAL 715 Cb 0.44 0.13 -0.00 0.00 -1.52 0.00 0.00 31.29 30.33 3dbs h VAL 715 CO 0.01 0.28 -0.42 0.40 0.02 0.00 0.00 177.57 177.87 3dbs h ILE 716 N 1.18 1.30 -0.24 4.57 2.04 -1.05 -2.46 117.51 122.85 3dbs h ILE 716 Ca 0.29 -1.61 -0.02 0.00 1.00 0.00 0.00 64.86 64.53 3dbs h ILE 716 Cb 0.05 1.66 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 3dbs h ILE 716 CO -0.04 0.52 0.08 0.25 0.00 0.00 0.00 178.15 178.95 3dbs h LEU 717 N 0.52 0.34 -0.65 1.44 6.46 -0.61 -1.76 115.31 121.05 3dbs h LEU 717 Ca 0.03 -0.20 0.11 0.00 -0.12 0.00 0.00 57.88 57.70 3dbs h LEU 717 Cb 1.01 -0.09 -0.08 0.00 -0.73 0.00 0.00 40.66 40.77 3dbs h LEU 717 CO 0.10 0.45 0.21 -0.08 -0.62 0.00 0.00 178.44 178.50 3dbs h GLU 718 N 0.22 0.35 -0.51 1.25 4.81 -1.02 0.71 114.58 120.40 3dbs h GLU 718 Ca 0.08 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 3dbs h GLU 718 Cb 0.23 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.50 3dbs h GLU 718 CO -0.00 0.23 0.33 0.00 -0.73 0.00 0.00 179.01 178.84 3dbs h ALA 719 N 1.48 0.64 -0.62 2.92 0.00 -0.99 -1.64 119.26 121.05 3dbs h ALA 719 Ca 0.34 -0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.28 3dbs h ALA 719 Cb 0.48 -0.21 -0.06 0.00 0.00 0.00 0.00 17.79 18.01 3dbs h ALA 719 CO -0.37 0.10 0.30 -0.92 0.00 0.00 0.00 179.25 178.36 3dbs h TYR 720 N 0.69 0.55 0.00 0.00 3.20 -0.28 -3.02 116.97 118.10 3dbs h TYR 720 Ca 0.18 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3dbs h TYR 720 Cb -0.06 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.04 3dbs h TYR 720 CO -0.04 0.23 -0.41 -0.07 -1.64 0.00 0.00 178.16 176.23 3dbs h LEU 721 N 0.56 0.00 0.00 2.82 3.38 -0.04 -1.51 115.31 120.52 3dbs h LEU 721 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3dbs h LEU 721 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 3dbs h LEU 721 CO -0.22 0.41 0.00 0.54 0.09 0.00 0.00 178.44 179.26 3dbs n ARG 722 N -3.63 0.03 0.00 1.13 1.74 -0.74 -3.53 116.66 111.66 3dbs n ARG 722 Ca -0.01 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 3dbs n ARG 722 Cb 0.51 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.45 3dbs n ARG 722 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3dbs n GLY 723 N 0.91 -0.73 0.21 -0.13 0.00 -0.90 -4.74 105.19 99.80 3dbs n GLY 723 Ca 0.06 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.20 3dbs n GLY 723 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dbs n GLY 725 N 1.11 0.20 0.32 0.00 0.00 -1.26 -4.53 105.19 101.03 3dbs n GLY 725 Ca 0.04 -1.55 0.20 0.00 0.00 0.00 0.00 46.02 44.71 3dbs n GLY 725 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 3dbs h THR 726 N 0.00 0.10 -0.25 2.61 1.35 -1.65 -1.47 112.91 113.60 3dbs h THR 726 Ca 0.00 -0.14 -0.06 0.00 -0.55 0.00 0.00 66.41 65.66 3dbs h THR 726 Cb 0.00 1.13 -0.01 0.00 -1.73 0.00 0.00 68.15 67.54 3dbs h THR 726 CO 0.00 0.01 -0.07 0.00 -0.25 0.00 0.00 175.52 175.21 3dbs h ALA 727 N 1.99 0.35 0.00 6.62 0.00 -1.49 -1.87 119.26 124.85 3dbs h ALA 727 Ca -0.00 -0.27 -0.09 0.00 0.00 0.00 0.00 54.91 54.55 3dbs h ALA 727 Cb 0.12 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3dbs h ALA 727 CO 0.00 0.16 -0.43 0.52 0.00 0.00 0.00 179.25 179.50 3dbs h MET 728 N 0.23 0.00 -0.09 0.00 2.07 -1.52 -2.04 114.93 113.59 3dbs h MET 728 Ca 0.06 0.00 -0.23 0.00 -2.07 0.00 0.00 59.70 57.47 3dbs h MET 728 Cb 0.54 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.28 3dbs h MET 728 CO 0.03 0.43 -0.85 -0.07 1.07 0.00 0.00 176.91 177.52 3dbs h LEU 729 N 0.00 0.81 -0.66 1.22 3.38 -1.36 -1.52 115.31 117.18 3dbs h LEU 729 Ca -0.00 -0.57 -0.11 0.00 0.09 0.00 0.00 57.88 57.29 3dbs h LEU 729 Cb 0.94 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.43 3dbs h LEU 729 CO 0.06 1.36 -0.17 -0.74 0.09 0.00 0.00 178.44 179.04 3dbs h HIS 730 N 0.43 0.98 0.08 1.13 2.76 -1.32 -1.84 115.15 117.37 3dbs h HIS 730 Ca -0.07 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 57.89 3dbs h HIS 730 Cb 1.47 -0.24 0.00 0.00 1.55 0.00 0.00 27.41 30.19 3dbs h HIS 730 CO 0.08 0.97 -0.04 -0.44 -1.30 0.00 0.00 177.93 177.20 3dbs h ASP 731 N 0.77 -0.09 -0.60 3.26 5.19 -1.23 -2.11 116.42 121.62 3dbs h ASP 731 Ca 0.11 -0.10 -0.01 0.00 -0.62 0.00 0.00 57.03 56.41 3dbs h ASP 731 Cb 0.69 0.02 -0.03 0.00 0.18 0.00 0.00 39.33 40.20 3dbs h ASP 731 CO 0.05 0.05 0.36 -0.26 -3.12 0.00 0.00 179.24 176.32 3dbs h PHE 732 N -0.22 0.81 -0.55 4.55 0.05 -1.26 -2.08 116.94 118.24 3dbs h PHE 732 Ca -0.01 -0.00 -0.09 0.00 3.82 0.00 0.00 57.97 61.69 3dbs h PHE 732 Cb 0.19 -0.27 -0.02 0.00 2.00 0.00 0.00 35.95 37.85 3dbs h PHE 732 CO -0.03 0.55 -0.02 1.15 -0.18 0.00 0.00 178.31 179.77 3dbs h THR 733 N 0.85 1.26 -0.40 -1.55 2.02 -0.99 0.99 112.91 115.08 3dbs h THR 733 Ca 0.22 -1.13 0.00 0.00 0.77 0.00 0.00 66.41 66.27 3dbs h THR 733 Cb -0.01 0.86 -0.02 0.00 -1.74 0.00 0.00 68.15 67.24 3dbs h THR 733 CO -0.04 0.40 0.26 1.56 0.37 0.00 0.00 175.52 178.07 3dbs h GLN 734 N 0.87 0.54 -0.49 6.66 1.08 -1.02 -1.94 115.11 120.82 3dbs h GLN 734 Ca 0.16 -0.04 -0.10 0.00 -1.45 0.00 0.00 58.65 57.22 3dbs h GLN 734 Cb 0.55 -0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.84 3dbs h GLN 734 CO 0.03 0.38 -0.08 1.96 -0.95 0.00 0.00 178.83 180.18 3dbs h GLN 735 N 0.54 0.91 -0.35 1.46 4.20 -0.68 -2.20 115.11 118.99 3dbs h GLN 735 Ca 0.15 -0.33 -0.14 0.00 0.06 0.00 0.00 58.65 58.39 3dbs h GLN 735 Cb -0.03 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.68 3dbs h GLN 735 CO -0.03 0.98 -0.33 0.28 -0.67 0.00 0.00 178.83 179.06 3dbs h VAL 736 N 0.77 1.28 0.23 -0.54 2.07 -0.77 -2.38 116.25 116.90 3dbs h VAL 736 Ca 0.13 -1.48 -0.01 0.00 0.82 0.00 0.00 66.70 66.16 3dbs h VAL 736 Cb 0.62 1.36 0.00 0.00 -1.52 0.00 0.00 31.29 31.75 3dbs h VAL 736 CO 0.04 0.49 -0.11 1.56 0.02 0.00 0.00 177.57 179.57 3dbs h GLN 737 N 0.66 -0.30 0.07 1.57 4.20 -1.19 -2.14 115.11 117.98 3dbs h GLN 737 Ca 0.07 0.02 0.03 0.00 0.06 0.00 0.00 58.65 58.82 3dbs h GLN 737 Cb 0.87 0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.67 3dbs h GLN 737 CO 0.08 -0.09 -0.32 0.28 -0.67 0.00 0.00 178.83 178.11 3dbs h VAL 738 N -0.45 0.32 0.00 -0.54 2.07 -1.33 -1.65 116.25 114.67 3dbs h VAL 738 Ca -0.03 0.00 -0.05 0.00 0.82 0.00 0.00 66.70 67.43 3dbs h VAL 738 Cb 0.34 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.43 3dbs h VAL 738 CO 0.05 0.00 -0.26 0.16 0.02 0.00 0.00 177.57 177.54 3dbs h ILE 739 N -0.51 0.89 -0.16 4.57 -0.00 -1.41 -1.54 117.51 119.36 3dbs h ILE 739 Ca 0.04 -1.01 -0.13 0.00 -0.00 0.00 0.00 64.86 63.77 3dbs h ILE 739 Cb 0.56 1.60 -0.01 0.00 -0.00 0.00 0.00 36.82 38.97 3dbs h ILE 739 CO -0.22 0.26 -0.45 -0.33 -0.00 0.00 0.00 178.15 177.41 3dbs h GLU 740 N 0.00 0.39 -0.04 0.16 5.08 -0.89 -1.38 114.58 117.91 3dbs h GLU 740 Ca -0.00 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.04 3dbs h GLU 740 Cb 0.57 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3dbs h GLU 740 CO 0.03 0.77 -0.48 0.52 -1.00 0.00 0.00 179.01 178.85 3dbs h MET 741 N 0.32 0.10 0.09 2.33 2.86 -0.36 -3.03 114.93 117.24 3dbs h MET 741 Ca 0.02 -0.05 -0.33 0.00 -2.06 0.00 0.00 59.70 57.28 3dbs h MET 741 Cb 0.92 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.56 3dbs h MET 741 CO 0.08 0.56 -1.81 1.28 1.06 0.00 0.00 176.91 178.08 3dbs n LEU 742 N -3.96 2.43 -0.30 1.22 4.77 -0.89 -2.95 117.00 117.32 3dbs n LEU 742 Ca -0.02 0.27 0.04 0.00 -0.03 0.00 0.00 56.01 56.27 3dbs n LEU 742 Cb 0.51 -1.08 0.18 0.00 -2.33 0.00 0.00 43.42 40.71 3dbs n LEU 742 CO 0.41 0.70 1.14 1.56 -1.33 0.00 0.00 177.39 179.87 3dbs h GLN 743 N -0.23 0.75 -0.41 3.23 4.20 -1.39 0.12 115.11 121.38 3dbs h GLN 743 Ca -0.41 -0.05 0.08 0.00 0.06 0.00 0.00 58.65 58.33 3dbs h GLN 743 Cb 1.83 -0.17 -0.07 0.00 0.30 0.00 0.00 27.48 29.37 3dbs h GLN 743 CO 0.00 0.50 -0.04 -0.22 -0.67 0.00 0.00 178.83 178.39 3dbs h LYS 744 N 0.77 0.06 -0.68 1.46 3.64 -1.62 -0.76 116.57 119.45 3dbs h LYS 744 Ca 0.41 -0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.74 3dbs h LYS 744 Cb 0.42 -0.01 -0.03 0.00 -0.41 0.00 0.00 32.23 32.20 3dbs h LYS 744 CO -0.27 0.04 0.22 0.28 -2.27 0.00 0.00 179.45 177.45 3dbs h VAL 745 N 0.06 1.25 -0.42 2.00 2.07 -0.99 -1.86 116.25 118.36 3dbs h VAL 745 Ca 0.20 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.81 3dbs h VAL 745 Cb 0.30 0.50 -0.02 0.00 -1.52 0.00 0.00 31.29 30.55 3dbs h VAL 745 CO -0.37 0.33 0.03 0.74 0.02 0.00 0.00 177.57 178.32 3dbs h THR 746 N 1.00 1.25 -0.51 2.57 2.02 0.17 -1.83 112.91 117.59 3dbs h THR 746 Ca 0.22 -0.96 -0.10 0.00 0.77 0.00 0.00 66.41 66.34 3dbs h THR 746 Cb 0.28 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.73 3dbs h THR 746 CO -0.01 0.33 -0.07 -0.07 0.37 0.00 0.00 175.52 176.07 3dbs h LEU 747 N 0.56 0.89 -1.34 2.58 3.38 -1.14 -2.67 115.31 117.58 3dbs h LEU 747 Ca 0.12 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3dbs h LEU 747 Cb 0.44 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.95 3dbs h LEU 747 CO 0.02 0.99 0.00 0.44 0.09 0.00 0.00 178.44 179.98 3dbs h ASP 748 N 0.82 0.00 0.24 -0.43 5.19 -1.04 -3.18 116.42 118.02 3dbs h ASP 748 Ca 0.14 0.00 -0.34 0.00 -0.62 0.00 0.00 57.03 56.21 3dbs h ASP 748 Cb 0.59 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.05 3dbs h ASP 748 CO 0.04 0.00 -2.02 -0.38 -3.12 0.00 0.00 179.24 173.76 3dbs n ILE 749 N -2.83 1.59 -0.25 0.35 -0.00 -0.71 -4.20 119.36 113.31 3dbs n ILE 749 Ca 0.01 -0.75 0.04 0.00 -0.00 0.00 0.00 62.75 62.05 3dbs n ILE 749 Cb 0.26 -1.13 0.17 0.00 -0.00 0.00 0.00 39.64 38.95 3dbs n ILE 749 CO 0.00 0.00 0.00 0.11 -0.00 0.00 0.00 176.55 176.66 3dbs h LYS 750 N 0.02 0.40 -0.17 0.38 1.57 -1.45 -3.08 116.57 114.24 3dbs h LYS 750 Ca -0.41 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.21 3dbs h LYS 750 Cb 2.06 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 34.27 3dbs h LYS 750 CO 0.05 0.27 -0.44 0.77 -0.57 0.00 0.00 179.45 179.53 3dbs h SER 751 N 0.42 0.45 1.15 0.86 0.02 -1.73 -2.99 113.55 111.73 3dbs h SER 751 Ca 0.39 -0.21 -0.17 0.00 -0.84 0.00 0.00 61.79 60.97 3dbs h SER 751 Cb 0.59 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.98 3dbs h SER 751 CO -0.40 0.84 -0.80 -0.07 -1.14 0.00 0.00 176.83 175.26 3dbs h LEU 752 N 0.35 0.00-10.21 5.07 3.38 -1.72 -3.44 115.31 108.74 3dbs h LEU 752 Ca 0.03 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.50 3dbs h LEU 752 Cb 0.92 0.00 0.06 0.00 0.09 0.00 0.00 40.66 41.73 3dbs h LEU 752 CO 0.08 0.80 0.38 -0.94 0.09 0.00 0.00 178.44 178.84 3dbs s SER 753 N -6.62 5.88 1.06 -0.43 1.04 -1.13 -5.05 113.70 108.45 3dbs s SER 753 Ca 0.02 1.76 -0.12 0.00 0.48 0.00 0.00 55.95 58.09 3dbs s SER 753 Cb 0.09 -2.53 0.22 0.00 0.10 0.00 0.00 66.02 63.91 3dbs s SER 753 CO 0.79 -1.10 1.07 0.00 0.98 0.00 0.00 173.24 174.98 3dbs s ALA 754 N -2.53 0.35 0.21 5.32 0.00 -1.26 -4.92 121.76 118.94 3dbs s ALA 754 Ca 0.62 0.00 -0.09 0.00 0.00 0.00 0.00 51.96 52.50 3dbs s ALA 754 Cb -0.15 -3.27 0.26 0.00 0.00 0.00 0.00 23.12 19.96 3dbs s ALA 754 CO 0.38 -3.31 1.81 1.49 0.00 0.00 0.00 175.76 176.12 3dbs h GLU 755 N -2.25 0.67 -0.88 0.00 4.57 -1.94 -3.39 114.58 111.37 3dbs h GLU 755 Ca -0.55 -0.04 0.08 0.00 -1.18 0.00 0.00 59.36 57.67 3dbs h GLU 755 Cb 1.31 -0.15 -0.21 0.00 -0.16 0.00 0.00 28.75 29.54 3dbs h GLU 755 CO 0.50 0.45 -0.27 0.21 -1.18 0.00 0.00 179.01 178.71 3dbs s LYS 756 N -6.09 0.50 -0.30 1.92 2.36 -1.26 -4.89 119.74 111.98 3dbs s LYS 756 Ca -0.13 0.65 -0.11 0.00 -2.55 0.00 0.00 55.97 53.84 3dbs s LYS 756 Cb 0.16 0.33 0.15 0.00 -1.05 0.00 0.00 37.83 37.42 3dbs s LYS 756 CO 0.76 -0.77 0.77 1.52 1.55 0.00 0.00 175.35 179.17 3dbs s TYR 757 N 2.86 -1.13 0.00 4.03 -0.85 -1.26 -5.17 117.35 115.82 3dbs s TYR 757 Ca 0.15 1.86 0.00 0.00 -0.52 0.00 0.00 57.07 58.56 3dbs s TYR 757 Cb -0.11 0.64 0.00 0.00 0.38 0.00 0.00 41.96 42.87 3dbs s TYR 757 CO -0.23 -0.57 0.00 -0.25 -1.52 0.00 0.00 175.55 172.98 3dbs n ASP 758 N 5.30 0.00 -3.67 -0.18 10.43 -1.26 -4.70 116.55 122.46 3dbs n ASP 758 Ca -0.10 0.00 -0.09 0.00 2.57 0.00 0.00 54.79 57.17 3dbs n ASP 758 Cb 0.50 0.00 -0.10 0.00 1.84 0.00 0.00 41.12 43.36 3dbs n ASP 758 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 3dbs s VAL 759 N 0.00 -0.37 0.68 2.53 1.01 -1.26 -4.81 120.40 118.18 3dbs s VAL 759 Ca 0.00 0.14 -0.14 0.00 0.00 0.00 0.00 61.98 61.98 3dbs s VAL 759 Cb 0.00 -0.64 0.01 0.00 0.00 0.00 0.00 36.38 35.75 3dbs s VAL 759 CO 0.00 0.06 1.10 -0.55 0.00 0.00 0.00 175.10 175.71 3dbs s SER 760 N 2.09 5.04 0.05 3.32 0.15 -1.26 -4.95 113.70 118.14 3dbs s SER 760 Ca -0.05 1.93 -0.28 0.00 0.70 0.00 0.00 55.95 58.25 3dbs s SER 760 Cb -0.10 -2.54 -0.17 0.00 -1.71 0.00 0.00 66.02 61.49 3dbs s SER 760 CO -0.13 -1.68 1.49 -1.28 1.20 0.00 0.00 173.24 172.85 3dbs h SER 761 N -0.23 -0.44 0.09 5.45 0.87 -2.02 -2.90 113.55 114.38 3dbs h SER 761 Ca -0.46 -0.06 0.00 0.00 -1.23 0.00 0.00 61.79 60.04 3dbs h SER 761 Cb 1.24 0.11 0.00 0.00 -0.44 0.00 0.00 62.40 63.31 3dbs h SER 761 CO 0.54 -0.20 0.00 1.67 -0.53 0.00 0.00 176.83 178.30 3dbs n GLN 762 N -5.26 0.06 -0.09 2.24 7.27 -1.26 -2.23 117.38 118.11 3dbs n GLN 762 Ca -0.11 0.25 -0.16 0.00 0.07 0.00 0.00 57.00 57.06 3dbs n GLN 762 Cb 0.26 -1.50 -0.14 0.00 2.41 0.00 0.00 30.24 31.27 3dbs n GLN 762 CO 0.00 0.00 0.00 0.28 0.07 0.00 0.00 177.06 177.41 3dbs n VAL 763 N -1.30 1.53 0.22 1.69 0.31 -1.11 -2.53 118.33 117.14 3dbs n VAL 763 Ca 0.02 -0.68 0.09 0.00 -0.01 0.00 0.00 64.34 63.77 3dbs n VAL 763 Cb 0.04 -1.20 0.47 0.00 -0.91 0.00 0.00 33.84 32.24 3dbs n VAL 763 CO 0.00 0.00 0.00 0.40 -1.32 0.00 0.00 176.83 175.91 3dbs h ILE 764 N 0.01 0.65 0.11 2.52 1.08 -1.45 -1.61 117.51 118.82 3dbs h ILE 764 Ca -0.52 -1.13 -0.01 0.00 -0.39 0.00 0.00 64.86 62.82 3dbs h ILE 764 Cb 2.02 1.74 0.00 0.00 -3.07 0.00 0.00 36.82 37.51 3dbs h ILE 764 CO -0.01 0.24 -0.05 -1.28 -0.69 0.00 0.00 178.15 176.35 3dbs h SER 765 N 0.00 -0.13 0.00 1.72 0.87 -1.56 -3.00 113.55 111.45 3dbs h SER 765 Ca -0.00 -0.14 0.00 0.00 -1.23 0.00 0.00 61.79 60.42 3dbs h SER 765 Cb 0.72 0.03 0.00 0.00 -0.44 0.00 0.00 62.40 62.71 3dbs h SER 765 CO 0.03 0.06 0.00 0.00 -0.53 0.00 0.00 176.83 176.40 3dbs n GLN 766 N -5.08 0.86 -0.10 2.24 1.13 -1.02 -2.43 117.38 112.98 3dbs n GLN 766 Ca -0.08 0.00 -0.20 0.00 -1.94 0.00 0.00 57.00 54.77 3dbs n GLN 766 Cb 0.15 -1.44 -0.12 0.00 0.11 0.00 0.00 30.24 28.94 3dbs n GLN 766 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 3dbs n LEU 767 N -0.94 2.74 0.19 1.08 -0.00 -0.64 -4.04 117.00 115.40 3dbs n LEU 767 Ca 0.18 0.02 -0.13 0.00 -0.00 0.00 0.00 56.01 56.08 3dbs n LEU 767 Cb 0.08 -0.96 -0.07 0.00 -0.00 0.00 0.00 43.42 42.47 3dbs n LEU 767 CO 0.14 0.86 0.46 0.11 -0.00 0.00 0.00 177.39 178.95 3dbs h LYS 768 N -0.13 -0.50 -0.79 1.96 1.79 -1.44 -2.46 116.57 115.01 3dbs h LYS 768 Ca -0.55 0.03 0.15 0.00 -2.18 0.00 0.00 60.65 58.10 3dbs h LYS 768 Cb 1.88 0.11 -0.14 0.00 -1.58 0.00 0.00 32.23 32.50 3dbs h LYS 768 CO -0.09 -0.18 -0.27 1.96 -1.08 0.00 0.00 179.45 179.79 3dbs h GLN 769 N -0.91 -0.04 -0.78 3.15 4.20 -1.74 -0.33 115.11 118.66 3dbs h GLN 769 Ca -0.05 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.65 3dbs h GLN 769 Cb 0.54 0.01 -0.04 0.00 0.30 0.00 0.00 27.48 28.30 3dbs h GLN 769 CO 0.09 -0.03 0.46 0.87 -0.67 0.00 0.00 178.83 179.54 3dbs h LYS 770 N -0.05 1.06 0.00 1.46 1.79 -1.68 -2.32 116.57 116.84 3dbs h LYS 770 Ca 0.34 -0.10 -0.09 0.00 -2.18 0.00 0.00 60.65 58.62 3dbs h LYS 770 Cb 0.59 -0.22 -0.01 0.00 -1.58 0.00 0.00 32.23 31.00 3dbs h LYS 770 CO -0.82 0.76 -0.41 -0.07 -1.08 0.00 0.00 179.45 177.83 3dbs h LEU 771 N 1.07 0.00 -0.97 2.94 3.38 -0.90 -2.67 115.31 118.16 3dbs h LEU 771 Ca 0.28 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.14 3dbs h LEU 771 Cb -0.02 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 3dbs h LEU 771 CO -0.05 0.41 -0.39 -0.08 0.09 0.00 0.00 178.44 178.42 3dbs h GLU 772 N 0.00 0.25 -0.07 1.13 4.81 -0.58 -0.70 114.58 119.42 3dbs h GLU 772 Ca -0.00 -0.11 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 3dbs h GLU 772 Cb 1.02 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 30.40 3dbs h GLU 772 CO 0.05 0.60 -0.77 -0.91 -0.73 0.00 0.00 179.01 177.26 3dbs h ASN 773 N 0.21 0.50 0.29 1.04 2.35 -1.21 -3.26 115.58 115.51 3dbs h ASN 773 Ca 0.02 -0.34 -0.01 0.00 -0.55 0.00 0.00 56.30 55.42 3dbs h ASN 773 Cb 0.78 -0.15 0.00 0.00 0.05 0.00 0.00 38.32 39.01 3dbs h ASN 773 CO 0.06 1.09 -0.14 -0.07 -1.65 0.00 0.00 177.43 176.72 3dbs h LEU 774 N 0.27 -0.33 -0.93 1.61 3.38 -1.41 -3.36 115.31 114.54 3dbs h LEU 774 Ca -0.04 -0.21 0.18 0.00 0.09 0.00 0.00 57.88 57.90 3dbs h LEU 774 Cb 1.35 0.09 -0.17 0.00 0.09 0.00 0.00 40.66 42.02 3dbs h LEU 774 CO 0.13 0.11 -0.27 1.67 0.09 0.00 0.00 178.44 180.17 3dbs n GLN 775 N -5.08 -0.12 0.00 1.13 -0.06 -0.28 -2.56 117.38 110.42 3dbs n GLN 775 Ca -0.09 1.45 0.00 0.00 -2.00 0.00 0.00 57.00 56.36 3dbs n GLN 775 Cb 0.27 -2.17 0.00 0.00 -4.06 0.00 0.00 30.24 24.28 3dbs n GLN 775 CO 0.00 0.00 0.00 -1.71 -0.20 0.00 0.00 177.06 175.15 3dbs n ASN 776 N -5.48 0.00 -4.29 1.69 5.15 -1.23 -4.43 115.26 106.66 3dbs n ASN 776 Ca 0.13 0.00 -0.44 0.00 -0.60 0.00 0.00 54.58 53.67 3dbs n ASN 776 Cb 0.44 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.69 3dbs n ASN 776 CO 0.00 0.00 0.00 -1.20 1.40 0.00 0.00 177.26 177.46 3dbs n SER 777 N 0.00 5.48 0.11 1.20 7.64 -1.25 -4.38 113.62 122.42 3dbs n SER 777 Ca 0.00 -3.07 0.00 0.00 1.01 0.00 0.00 58.87 56.81 3dbs n SER 777 Cb 0.00 -1.45 0.00 0.00 -1.01 0.00 0.00 64.21 61.75 3dbs n SER 777 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3dbs n GLN 778 N 3.73 0.00 -2.30 1.43 1.13 -1.15 -4.95 117.38 115.27 3dbs n GLN 778 Ca 0.31 0.00 -0.39 0.00 -1.94 0.00 0.00 57.00 54.97 3dbs n GLN 778 Cb 0.39 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.72 3dbs n GLN 778 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 3dbs s LEU 779 N -6.25 4.34 0.35 1.08 0.20 -1.06 -5.01 118.68 112.34 3dbs s LEU 779 Ca 0.00 2.40 -0.26 0.00 0.69 0.00 0.00 54.13 56.96 3dbs s LEU 779 Cb 0.00 -3.84 -0.13 0.00 -0.43 0.00 0.00 46.19 41.79 3dbs s LEU 779 CO 0.00 -0.51 0.96 -2.65 -0.29 0.00 0.00 176.35 173.86 3dbs n PRO 780 N 0.52 1.27 -0.11 0.98 -0.02 -1.26 -4.88 135.00 131.50 3dbs n PRO 780 Ca 0.02 0.45 0.23 0.00 -2.02 0.00 0.00 63.50 62.18 3dbs n PRO 780 Cb 0.45 -1.88 0.68 0.00 -0.02 0.00 0.00 33.50 32.72 3dbs n PRO 780 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 3dbs h GLU 781 N 1.69 0.06 -1.81 -0.52 4.39 -1.94 -3.43 114.58 113.01 3dbs h GLU 781 Ca -0.41 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 3dbs h GLU 781 Cb 1.35 -0.01 -0.22 0.00 -0.10 0.00 0.00 28.75 29.77 3dbs h GLU 781 CO 0.58 0.04 0.32 -1.54 -1.16 0.00 0.00 179.01 177.25 3dbs s SER 782 N -5.90 -0.56 0.06 1.42 1.04 -1.26 -4.15 113.70 104.35 3dbs s SER 782 Ca -0.05 0.77 0.04 0.00 0.48 0.00 0.00 55.95 57.18 3dbs s SER 782 Cb 0.21 0.67 -0.03 0.00 0.10 0.00 0.00 66.02 66.97 3dbs s SER 782 CO 0.76 -0.41 -0.12 0.72 0.98 0.00 0.00 173.24 175.17 3dbs s PHE 783 N -0.71 0.99 0.21 5.02 -0.71 -0.31 -4.97 117.98 117.50 3dbs s PHE 783 Ca -0.04 -0.47 -0.30 0.00 -1.04 0.00 0.00 56.93 55.08 3dbs s PHE 783 Cb -0.02 -0.57 -0.08 0.00 -1.21 0.00 0.00 43.02 41.14 3dbs s PHE 783 CO 0.04 -0.00 1.21 1.03 -1.34 0.00 0.00 175.22 176.16 3dbs s ARG 784 N -1.64 4.48 -0.26 1.99 0.52 -1.26 -1.12 118.95 121.65 3dbs s ARG 784 Ca -0.05 1.92 -0.29 0.00 -0.52 0.00 0.00 55.73 56.79 3dbs s ARG 784 Cb -0.10 -3.21 -0.00 0.00 0.52 0.00 0.00 34.95 32.15 3dbs s ARG 784 CO 0.01 -0.09 1.29 0.08 0.02 0.00 0.00 175.30 176.62 3dbs s VAL 785 N -0.22 4.17 0.32 3.52 1.01 -0.88 -4.85 120.40 123.47 3dbs s VAL 785 Ca 0.52 1.35 0.01 0.00 0.00 0.00 0.00 61.98 63.87 3dbs s VAL 785 Cb -0.34 -4.11 0.28 0.00 0.00 0.00 0.00 36.38 32.21 3dbs s VAL 785 CO 0.38 -0.38 1.94 -0.65 0.00 0.00 0.00 175.10 176.39 3dbs h PRO 786 N 9.03 0.95 -0.00 2.72 0.11 -1.93 -2.01 132.00 140.88 3dbs h PRO 786 Ca -0.26 -0.06 0.00 0.00 0.11 0.00 0.00 66.00 65.79 3dbs h PRO 786 Cb 1.10 -0.21 0.00 0.00 0.11 0.00 0.00 31.00 31.99 3dbs h PRO 786 CO 1.02 0.63 -0.05 2.48 -0.21 0.00 0.00 178.00 181.87 3dbs n TYR 787 N -4.47 0.00 -3.09 0.65 0.18 -1.26 -4.31 117.16 104.86 3dbs n TYR 787 Ca 0.12 0.00 -0.17 0.00 1.88 0.00 0.00 57.90 59.73 3dbs n TYR 787 Cb 0.17 -0.40 -0.04 0.00 -0.38 0.00 0.00 39.34 38.68 3dbs n TYR 787 CO 0.00 0.00 0.00 -3.47 -2.08 0.00 0.00 176.86 171.31 3dbs n ASP 788 N -1.41 -1.61 0.00 9.48 2.03 -0.77 -4.86 116.55 119.41 3dbs n ASP 788 Ca 0.09 -2.70 0.03 0.00 0.52 0.00 0.00 54.79 52.74 3dbs n ASP 788 Cb 0.31 0.43 0.13 0.00 -0.72 0.00 0.00 41.12 41.28 3dbs n ASP 788 CO 0.00 0.00 0.00 -0.81 -1.92 0.00 0.00 177.20 174.47 3dbs n PRO 789 N 2.53 0.02 0.13 -0.67 -0.04 -1.09 -1.84 135.00 134.04 3dbs n PRO 789 Ca 0.23 0.35 -0.13 0.00 -0.04 0.00 0.00 63.50 63.91 3dbs n PRO 789 Cb 0.53 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.41 3dbs n PRO 789 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 3dbs h GLY 790 N 1.03 -0.33 -5.05 0.55 0.00 -1.86 -3.45 103.07 93.96 3dbs h GLY 790 Ca 0.00 0.12 -0.54 0.00 0.00 0.00 0.00 47.33 46.91 3dbs h GLY 790 CO 0.00 -0.12 0.99 1.08 0.00 0.00 0.00 176.54 178.49 3dbs s LEU 791 N -9.65 4.33 -0.36 3.11 1.43 -0.77 -2.47 118.68 114.31 3dbs s LEU 791 Ca -0.15 2.29 -0.13 0.00 -1.03 0.00 0.00 54.13 55.12 3dbs s LEU 791 Cb 0.03 -3.55 0.00 0.00 0.03 0.00 0.00 46.19 42.70 3dbs s LEU 791 CO 0.60 -0.86 0.24 -0.54 0.23 0.00 0.00 176.35 176.02 3dbs s LYS 792 N 3.14 3.20 0.37 1.70 1.02 -1.26 -2.08 119.74 125.83 3dbs s LYS 792 Ca 0.71 -0.84 -0.20 0.00 0.02 0.00 0.00 55.97 55.65 3dbs s LYS 792 Cb -0.35 -3.82 -0.10 0.00 -0.52 0.00 0.00 37.83 33.04 3dbs s LYS 792 CO 0.30 -0.58 0.87 0.00 -0.92 0.00 0.00 175.35 175.02 3dbs s ALA 793 N 1.67 3.17 0.00 5.17 0.00 -0.28 -1.41 121.76 130.08 3dbs s ALA 793 Ca 0.05 0.31 0.00 0.00 0.00 0.00 0.00 51.96 52.31 3dbs s ALA 793 Cb -0.18 -3.03 0.00 0.00 0.00 0.00 0.00 23.12 19.91 3dbs s ALA 793 CO 0.09 0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.47 3dbs n GLY 794 N -0.25 1.69 3.82 0.00 0.00 0.28 -1.16 105.19 109.57 3dbs n GLY 794 Ca 0.04 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.73 3dbs n GLY 794 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dbs s ALA 795 N -2.21 3.17 0.34 4.61 0.00 -1.26 -4.72 121.76 121.69 3dbs s ALA 795 Ca 0.00 0.29 -0.28 0.00 0.00 0.00 0.00 51.96 51.97 3dbs s ALA 795 Cb 0.00 -3.02 -0.10 0.00 0.00 0.00 0.00 23.12 20.00 3dbs s ALA 795 CO 0.00 0.21 1.26 -0.51 0.00 0.00 0.00 175.76 176.72 3dbs s LEU 796 N -2.87 4.41 -1.18 0.00 1.43 -1.26 -1.15 118.68 118.05 3dbs s LEU 796 Ca 0.57 2.59 -0.15 0.00 -1.03 0.00 0.00 54.13 56.10 3dbs s LEU 796 Cb -0.11 -3.71 0.15 0.00 0.03 0.00 0.00 46.19 42.56 3dbs s LEU 796 CO 0.16 -0.51 1.43 0.00 0.23 0.00 0.00 176.35 177.66 3dbs s ALA 797 N -1.18 3.85 0.30 4.21 0.00 -0.40 -4.80 121.76 123.74 3dbs s ALA 797 Ca 0.50 -3.24 0.04 0.00 0.00 0.00 0.00 51.96 49.26 3dbs s ALA 797 Cb -0.37 -4.17 0.67 0.00 0.00 0.00 0.00 23.12 19.24 3dbs s ALA 797 CO 0.49 -2.86 1.82 0.82 0.00 0.00 0.00 175.76 176.04 3dbs h ILE 798 N 4.91 0.83 -0.40 0.00 5.03 -1.93 -1.27 117.51 124.68 3dbs h ILE 798 Ca 0.31 -0.30 0.06 0.00 -0.12 0.00 0.00 64.86 64.82 3dbs h ILE 798 Cb 0.89 -0.11 -0.02 0.00 -3.03 0.00 0.00 36.82 34.55 3dbs h ILE 798 CO 1.25 0.16 0.28 -0.33 -0.68 0.00 0.00 178.15 178.83 3dbs h GLU 799 N 0.86 0.27 -0.01 2.37 5.08 -1.96 -2.43 114.58 118.75 3dbs h GLU 799 Ca 0.52 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.86 3dbs h GLU 799 Cb 0.67 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.86 3dbs h GLU 799 CO -0.29 0.18 -0.23 1.63 -1.00 0.00 0.00 179.01 179.30 3dbs n LYS 800 N -4.47 1.24 -3.05 2.33 5.02 -0.48 -4.92 118.16 113.83 3dbs n LYS 800 Ca 0.05 -0.85 -0.35 0.00 -2.02 0.00 0.00 58.31 55.15 3dbs n LYS 800 Cb 0.28 -1.48 -0.06 0.00 -0.02 0.00 0.00 35.03 33.74 3dbs n LYS 800 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3dbs s LYS 802 N -2.32 1.12 0.36 0.00 -2.85 -0.15 -4.97 119.74 110.93 3dbs s LYS 802 Ca 0.48 -0.16 -0.25 0.00 -1.00 0.00 0.00 55.97 55.03 3dbs s LYS 802 Cb -0.15 0.52 -0.10 0.00 -2.06 0.00 0.00 37.83 36.05 3dbs s LYS 802 CO 0.20 -0.44 1.00 0.08 0.10 0.00 0.00 175.35 176.29 3dbs s VAL 803 N -2.64 3.95 -0.27 1.79 1.01 -1.26 -0.50 120.40 122.48 3dbs s VAL 803 Ca -0.03 1.58 -0.13 0.00 0.00 0.00 0.00 61.98 63.40 3dbs s VAL 803 Cb -0.01 -3.85 -0.04 0.00 0.00 0.00 0.00 36.38 32.48 3dbs s VAL 803 CO -0.04 0.09 0.27 -0.04 0.00 0.00 0.00 175.10 175.38 3dbs s MET 804 N -2.23 4.00 -0.36 2.72 1.00 -0.25 -4.86 119.30 119.33 3dbs s MET 804 Ca 0.53 -0.15 -0.29 0.00 0.00 0.00 0.00 55.69 55.79 3dbs s MET 804 Cb -0.21 -3.64 -0.32 0.00 0.00 0.00 0.00 34.83 30.67 3dbs s MET 804 CO 0.26 -0.18 1.75 0.00 0.00 0.00 0.00 175.02 176.86 3dbs n ALA 805 N 5.03 0.93 -3.00 3.03 0.00 -1.26 -4.37 120.51 120.88 3dbs n ALA 805 Ca -0.12 -2.65 0.00 0.00 0.00 0.00 0.00 53.44 50.67 3dbs n ALA 805 Cb 0.51 -3.64 0.00 0.00 0.00 0.00 0.00 19.45 16.33 3dbs n ALA 805 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3dbs n SER 806 N 11.63 0.00 -4.60 0.00 3.41 -1.26 -5.03 113.62 117.77 3dbs n SER 806 Ca 0.46 -0.09 -0.43 0.00 -0.26 0.00 0.00 58.87 58.55 3dbs n SER 806 Cb 0.43 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 64.36 3dbs n SER 806 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 3dbs s LYS 807 N 0.73 3.66 -0.50 4.33 1.02 -1.26 -3.98 119.74 123.74 3dbs s LYS 807 Ca 0.00 0.53 -0.00 0.00 0.02 0.00 0.00 55.97 56.52 3dbs s LYS 807 Cb 0.00 -3.94 0.00 0.00 -0.52 0.00 0.00 37.83 33.37 3dbs s LYS 807 CO 0.00 -1.47 0.06 1.63 -0.92 0.00 0.00 175.35 174.65 3dbs n LYS 808 N 8.00 -0.79 -3.99 1.68 5.02 -1.26 -4.45 118.16 122.37 3dbs n LYS 808 Ca 0.12 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.28 3dbs n LYS 808 Cb 0.49 -4.03 0.02 0.00 -0.02 0.00 0.00 35.03 31.49 3dbs n LYS 808 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 3dbs n LYS 809 N -1.62 -0.61 -2.08 1.97 4.76 -1.26 -4.61 118.16 114.71 3dbs n LYS 809 Ca -0.06 0.17 -0.36 0.00 -2.87 0.00 0.00 58.31 55.20 3dbs n LYS 809 Cb 0.55 -3.03 0.02 0.00 -1.84 0.00 0.00 35.03 30.74 3dbs n LYS 809 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 3dbs s PRO 810 N -7.07 3.08 -0.19 1.97 0.04 -1.26 -4.77 135.00 126.80 3dbs s PRO 810 Ca 0.45 1.77 -0.21 0.00 0.04 0.00 0.00 61.00 63.05 3dbs s PRO 810 Cb -0.22 -1.95 -0.02 0.00 0.04 0.00 0.00 34.50 32.34 3dbs s PRO 810 CO 0.95 -1.11 0.64 -0.51 0.04 0.00 0.00 177.00 177.00 3dbs s LEU 811 N -3.99 4.15 -0.63 -3.56 1.43 0.67 -1.09 118.68 115.66 3dbs s LEU 811 Ca 0.76 0.85 -0.26 0.00 -1.03 0.00 0.00 54.13 54.46 3dbs s LEU 811 Cb -0.29 -2.90 0.04 0.00 0.03 0.00 0.00 46.19 43.07 3dbs s LEU 811 CO 0.31 -0.27 1.10 0.86 0.23 0.00 0.00 176.35 178.58 3dbs s TRP 812 N 1.89 2.59 0.12 0.29 -0.11 0.35 -0.32 118.94 123.74 3dbs s TRP 812 Ca 0.29 -0.02 0.05 0.00 1.22 0.00 0.00 56.10 57.64 3dbs s TRP 812 Cb -0.16 -4.37 -0.04 0.00 -1.50 0.00 0.00 33.47 27.40 3dbs s TRP 812 CO 0.11 -1.66 0.05 -0.51 -4.62 0.00 0.00 176.95 170.32 3dbs s LEU 813 N 4.69 3.59 0.01 5.86 1.43 0.77 -0.97 118.68 134.05 3dbs s LEU 813 Ca 0.33 -0.17 0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3dbs s LEU 813 Cb -0.11 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.83 3dbs s LEU 813 CO 0.18 0.13 -0.03 -1.61 0.23 0.00 0.00 176.35 175.25 3dbs s GLU 814 N -2.63 0.25 0.07 1.70 2.02 -1.26 -0.73 118.70 118.12 3dbs s GLU 814 Ca 0.28 -0.26 0.07 0.00 0.02 0.00 0.00 54.97 55.08 3dbs s GLU 814 Cb -0.11 -0.13 -0.03 0.00 0.10 0.00 0.00 34.13 33.96 3dbs s GLU 814 CO 0.20 0.03 -0.19 -0.06 0.02 0.00 0.00 175.26 175.26 3dbs s PHE 815 N -0.48 1.67 0.55 1.61 0.40 -0.21 -1.28 117.98 120.24 3dbs s PHE 815 Ca -0.04 -0.40 -0.20 0.00 -0.60 0.00 0.00 56.93 55.69 3dbs s PHE 815 Cb -0.04 -0.95 -0.05 0.00 0.51 0.00 0.00 43.02 42.49 3dbs s PHE 815 CO -0.00 0.14 1.16 0.15 0.70 0.00 0.00 175.22 177.37 3dbs s LYS 816 N -1.59 3.30 -0.11 0.44 1.02 -0.30 -0.98 119.74 121.51 3dbs s LYS 816 Ca 0.05 1.71 -0.24 0.00 0.02 0.00 0.00 55.97 57.52 3dbs s LYS 816 Cb -0.09 -2.04 -0.03 0.00 -0.52 0.00 0.00 37.83 35.14 3dbs s LYS 816 CO 0.03 -0.92 0.73 0.00 -0.92 0.00 0.00 175.35 174.27 3dbs n ALA 818 N 4.37 2.08 -2.62 0.00 0.00 -0.50 -4.66 120.51 119.19 3dbs n ALA 818 Ca 0.00 -0.04 -0.41 0.00 0.00 0.00 0.00 53.44 52.99 3dbs n ALA 818 Cb 0.50 -1.41 -0.05 0.00 0.00 0.00 0.00 19.45 18.49 3dbs n ALA 818 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3dbs s ASP 819 N -3.62 6.64 0.09 0.00 1.01 -1.26 -4.94 116.67 114.58 3dbs s ASP 819 Ca 0.10 0.68 0.27 0.00 0.71 0.00 0.00 52.55 54.31 3dbs s ASP 819 Cb 0.14 -2.38 1.04 0.00 1.01 0.00 0.00 42.92 42.72 3dbs s ASP 819 CO 0.47 -0.53 1.84 -0.81 0.21 0.00 0.00 175.17 176.35 3dbs n PRO 820 N 6.03 0.10 -0.12 8.23 -0.04 -1.26 -2.67 135.00 145.27 3dbs n PRO 820 Ca 0.02 0.11 0.11 0.00 -0.04 0.00 0.00 63.50 63.70 3dbs n PRO 820 Cb 0.48 -1.62 0.31 0.00 -0.04 0.00 0.00 33.50 32.63 3dbs n PRO 820 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3dbs n THR 821 N -1.80 0.31 -1.82 0.52 -2.24 -1.26 -4.92 114.28 103.07 3dbs n THR 821 Ca 0.06 -0.48 -0.41 0.00 -2.27 0.00 0.00 64.05 60.95 3dbs n THR 821 Cb 0.36 0.57 -0.00 0.00 -2.10 0.00 0.00 70.33 69.16 3dbs n THR 821 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3dbs s ALA 822 N -1.69 3.58 -1.37 6.98 0.00 -1.09 -3.95 121.76 124.23 3dbs s ALA 822 Ca 0.34 1.56 0.11 0.00 0.00 0.00 0.00 51.96 53.97 3dbs s ALA 822 Cb 0.19 -3.61 0.43 0.00 0.00 0.00 0.00 23.12 20.13 3dbs s ALA 822 CO 0.28 -1.03 1.28 -0.11 0.00 0.00 0.00 175.76 176.18 3dbs n LEU 823 N 0.62 2.97 -3.95 0.00 0.00 -1.26 -4.87 117.00 110.50 3dbs n LEU 823 Ca 0.01 -1.50 -0.09 0.00 0.00 0.00 0.00 56.01 54.44 3dbs n LEU 823 Cb 0.39 -0.43 -0.10 0.00 0.00 0.00 0.00 43.42 43.28 3dbs n LEU 823 CO 0.63 0.53 -0.27 -0.55 0.00 0.00 0.00 177.39 177.73 3dbs s SER 824 N -0.76 0.21 -0.31 1.96 0.15 -1.26 -5.03 113.70 108.66 3dbs s SER 824 Ca 0.30 -0.52 0.10 0.00 0.70 0.00 0.00 55.95 56.53 3dbs s SER 824 Cb 0.19 0.18 0.76 0.00 -1.71 0.00 0.00 66.02 65.43 3dbs s SER 824 CO 0.15 -0.42 1.80 0.59 1.20 0.00 0.00 173.24 176.56 3dbs n ASN 825 N 1.09 4.96 -4.74 5.45 5.03 -1.26 -4.96 115.26 120.83 3dbs n ASN 825 Ca -0.21 -3.17 -0.38 0.00 0.87 0.00 0.00 54.58 51.69 3dbs n ASN 825 Cb 0.57 -0.74 -0.06 0.00 -1.02 0.00 0.00 39.78 38.53 3dbs n ASN 825 CO 0.00 0.00 0.00 -1.61 -1.83 0.00 0.00 177.26 173.82 3dbs s GLU 826 N -2.93 4.31 0.66 3.52 2.02 -1.26 -5.05 118.70 119.96 3dbs s GLU 826 Ca 0.55 0.58 -0.11 0.00 0.02 0.00 0.00 54.97 56.00 3dbs s GLU 826 Cb 0.43 -3.39 -0.01 0.00 0.10 0.00 0.00 34.13 31.26 3dbs s GLU 826 CO 0.14 0.25 1.05 0.95 0.02 0.00 0.00 175.26 177.66 3dbs s THR 827 N 0.28 4.26 -0.34 3.63 -4.23 -1.26 -4.76 115.64 113.22 3dbs s THR 827 Ca 0.29 0.76 -0.22 0.00 -1.18 0.00 0.00 61.69 61.34 3dbs s THR 827 Cb -0.16 -3.56 0.00 0.00 1.34 0.00 0.00 72.50 70.12 3dbs s THR 827 CO 0.13 -0.93 0.72 -0.63 -0.54 0.00 0.00 174.62 173.37 3dbs s ILE 828 N -3.04 4.82 -0.18 2.99 1.01 -0.16 -4.89 121.20 121.75 3dbs s ILE 828 Ca 0.57 0.84 -0.15 0.00 0.00 0.00 0.00 60.65 61.91 3dbs s ILE 828 Cb -0.13 -4.13 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 3dbs s ILE 828 CO 0.53 -0.32 0.34 -0.83 0.00 0.00 0.00 174.94 174.65 3dbs s GLY 829 N 1.76 2.16 -0.02 6.18 0.00 -1.26 -1.05 107.32 115.09 3dbs s GLY 829 Ca 0.28 -0.49 0.04 0.00 0.00 0.00 0.00 44.72 44.55 3dbs s GLY 829 CO 0.15 0.61 -0.13 -0.42 0.00 0.00 0.00 173.10 173.31 3dbs s ILE 830 N 0.86 1.07 -0.08 0.90 1.01 0.09 -1.61 121.20 123.44 3dbs s ILE 830 Ca 0.18 -0.56 -0.13 0.00 0.00 0.00 0.00 60.65 60.14 3dbs s ILE 830 Cb -0.14 -0.90 -0.05 0.00 0.01 0.00 0.00 42.46 41.38 3dbs s ILE 830 CO 0.06 0.31 0.32 -0.63 0.00 0.00 0.00 174.94 175.00 3dbs s ILE 831 N -0.16 5.23 -0.20 2.92 1.01 -0.39 -0.17 121.20 129.44 3dbs s ILE 831 Ca 0.02 0.62 -0.03 0.00 0.00 0.00 0.00 60.65 61.26 3dbs s ILE 831 Cb -0.07 -3.62 -0.01 0.00 0.01 0.00 0.00 42.46 38.77 3dbs s ILE 831 CO 0.00 0.52 -0.06 -0.36 0.00 0.00 0.00 174.94 175.04 3dbs s PHE 832 N -0.52 2.94 -0.03 3.97 0.40 0.56 -1.40 117.98 123.89 3dbs s PHE 832 Ca 0.20 -0.87 0.04 0.00 -0.60 0.00 0.00 56.93 55.70 3dbs s PHE 832 Cb -0.14 -2.06 -0.00 0.00 0.51 0.00 0.00 43.02 41.32 3dbs s PHE 832 CO 0.08 -0.47 -0.16 0.21 0.70 0.00 0.00 175.22 175.59 3dbs s LYS 833 N 1.25 1.54 -0.16 0.44 2.47 -0.91 -0.24 119.74 124.13 3dbs s LYS 833 Ca 0.03 -0.55 0.01 0.00 -1.56 0.00 0.00 55.97 53.90 3dbs s LYS 833 Cb -0.14 -1.38 0.01 0.00 -1.46 0.00 0.00 37.83 34.85 3dbs s LYS 833 CO -0.02 0.24 -0.17 -1.58 0.16 0.00 0.00 175.35 173.98 3dbs s HIS 834 N -0.02 2.76 0.00 4.03 5.65 -1.26 -1.93 115.29 124.52 3dbs s HIS 834 Ca -0.02 -1.26 0.00 0.00 0.25 0.00 0.00 55.06 54.03 3dbs s HIS 834 Cb -0.10 -1.89 0.00 0.00 -1.18 0.00 0.00 32.58 29.41 3dbs s HIS 834 CO 0.01 -0.60 0.00 0.41 -0.65 0.00 0.00 174.74 173.91 3dbs n GLY 835 N 4.26 2.42 3.79 1.59 0.00 0.90 -4.88 105.19 113.27 3dbs n GLY 835 Ca -0.20 -0.30 -0.29 0.00 0.00 0.00 0.00 46.02 45.23 3dbs n GLY 835 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dbs s ASP 836 N 0.00 3.65 -0.43 1.61 1.01 -1.26 -4.93 116.67 116.31 3dbs s ASP 836 Ca 0.00 1.03 -0.13 0.00 0.71 0.00 0.00 52.55 54.16 3dbs s ASP 836 Cb 0.00 -1.64 0.06 0.00 1.01 0.00 0.00 42.92 42.35 3dbs s ASP 836 CO 0.00 -2.47 0.32 -0.62 0.21 0.00 0.00 175.17 172.61 3dbs s ASP 837 N -3.99 5.96 0.19 0.27 2.15 -1.26 -3.93 116.67 116.06 3dbs s ASP 837 Ca 0.63 -1.24 0.25 0.00 0.43 0.00 0.00 52.55 52.62 3dbs s ASP 837 Cb -0.15 -2.11 0.46 0.00 -0.30 0.00 0.00 42.92 40.82 3dbs s ASP 837 CO 0.54 -0.55 1.47 -0.07 -0.17 0.00 0.00 175.17 176.38 3dbs h LEU 838 N 8.61 0.00 -1.37 -1.34 4.07 -1.93 -3.20 115.31 120.15 3dbs h LEU 838 Ca -0.26 -0.11 0.00 0.00 0.08 0.00 0.00 57.88 57.59 3dbs h LEU 838 Cb 1.10 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.81 3dbs h LEU 838 CO 0.79 0.05 0.39 0.03 -1.08 0.00 0.00 178.44 178.63 3dbs h ARG 839 N 0.00 0.82 -0.72 1.13 3.08 -1.94 0.12 114.38 116.87 3dbs h ARG 839 Ca 0.00 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 3dbs h ARG 839 Cb 0.79 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.63 3dbs h ARG 839 CO 0.00 0.55 0.42 1.96 -1.07 0.00 0.00 179.97 181.83 3dbs h GLN 840 N 0.84 0.99 -0.35 0.04 4.20 -1.80 -1.25 115.11 117.77 3dbs h GLN 840 Ca 0.22 -0.10 -0.08 0.00 0.06 0.00 0.00 58.65 58.75 3dbs h GLN 840 Cb -0.07 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.49 3dbs h GLN 840 CO -0.05 0.72 -0.09 -0.44 -0.67 0.00 0.00 178.83 178.30 3dbs h ASP 841 N 0.98 0.70 -0.42 1.46 5.19 -1.40 -1.40 116.42 121.53 3dbs h ASP 841 Ca 0.26 -0.37 0.08 0.00 -0.62 0.00 0.00 57.03 56.38 3dbs h ASP 841 Cb -0.00 -0.19 -0.09 0.00 0.18 0.00 0.00 39.33 39.22 3dbs h ASP 841 CO -0.05 0.91 -0.33 0.24 -3.12 0.00 0.00 179.24 176.89 3dbs h MET 842 N 0.48 -0.24 -0.57 3.56 2.86 -0.59 -1.43 114.93 119.00 3dbs h MET 842 Ca 0.09 0.02 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 3dbs h MET 842 Cb 0.61 0.05 -0.03 0.00 0.06 0.00 0.00 31.60 32.29 3dbs h MET 842 CO 0.04 -0.16 0.37 -0.07 1.06 0.00 0.00 176.91 178.15 3dbs h LEU 843 N -0.25 0.66 -0.18 1.22 -0.00 -1.00 -1.37 115.31 114.40 3dbs h LEU 843 Ca 0.18 -0.03 -0.07 0.00 -0.00 0.00 0.00 57.88 57.96 3dbs h LEU 843 Cb 0.54 -0.17 -0.00 0.00 -0.00 0.00 0.00 40.66 41.03 3dbs h LEU 843 CO -0.56 0.49 -0.16 0.40 -0.00 0.00 0.00 178.44 178.62 3dbs h ILE 844 N 0.77 1.33 -0.44 1.22 1.08 -0.84 -2.22 117.51 118.43 3dbs h ILE 844 Ca 0.21 -1.30 0.05 0.00 -0.39 0.00 0.00 64.86 63.43 3dbs h ILE 844 Cb -0.07 1.79 -0.02 0.00 -3.07 0.00 0.00 36.82 35.44 3dbs h ILE 844 CO -0.04 0.39 0.29 -0.07 -0.69 0.00 0.00 178.15 178.03 3dbs h LEU 845 N 0.08 0.33 -0.20 1.44 -0.00 -1.18 -1.06 115.31 114.71 3dbs h LEU 845 Ca 0.03 -0.00 -0.20 0.00 -0.00 0.00 0.00 57.88 57.71 3dbs h LEU 845 Cb 0.69 -0.07 -0.02 0.00 -0.00 0.00 0.00 40.66 41.26 3dbs h LEU 845 CO 0.04 0.22 -0.92 -0.61 -0.00 0.00 0.00 178.44 177.17 3dbs h GLN 846 N 0.38 0.11 -0.03 1.13 5.75 -1.01 -1.77 115.11 119.67 3dbs h GLN 846 Ca 0.19 -0.14 -0.14 0.00 -0.15 0.00 0.00 58.65 58.41 3dbs h GLN 846 Cb 0.27 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 28.85 3dbs h GLN 846 CO -0.04 0.95 -0.61 0.82 -2.65 0.00 0.00 178.83 177.30 3dbs h ILE 847 N 0.05 1.41 -0.04 2.39 2.04 -0.88 -2.25 117.51 120.24 3dbs h ILE 847 Ca -0.04 -2.05 -0.07 0.00 1.00 0.00 0.00 64.86 63.70 3dbs h ILE 847 Cb 1.59 2.07 -0.01 0.00 -0.74 0.00 0.00 36.82 39.74 3dbs h ILE 847 CO 0.13 0.59 -0.33 -0.07 0.00 0.00 0.00 178.15 178.48 3dbs h LEU 848 N 0.09 0.06 -0.49 1.44 4.07 -1.08 -1.56 115.31 117.84 3dbs h LEU 848 Ca -0.01 -0.02 -0.11 0.00 0.08 0.00 0.00 57.88 57.82 3dbs h LEU 848 Cb 1.10 -0.02 -0.02 0.00 1.08 0.00 0.00 40.66 42.81 3dbs h LEU 848 CO 0.09 0.39 -0.52 0.03 -1.08 0.00 0.00 178.44 177.35 3dbs h ARG 849 N 0.06 0.00 -0.03 1.13 3.08 -0.91 -2.84 114.38 114.86 3dbs h ARG 849 Ca 0.01 0.00 -0.21 0.00 0.07 0.00 0.00 59.98 59.84 3dbs h ARG 849 Cb 0.61 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.66 3dbs h ARG 849 CO 0.04 0.52 -0.87 0.82 -1.07 0.00 0.00 179.97 179.42 3dbs h ILE 850 N 0.00 1.39 -0.35 2.04 2.04 -0.84 -2.75 117.51 119.05 3dbs h ILE 850 Ca -0.01 -2.33 -0.16 0.00 1.00 0.00 0.00 64.86 63.36 3dbs h ILE 850 Cb 1.19 2.31 -0.00 0.00 -0.74 0.00 0.00 36.82 39.57 3dbs h ILE 850 CO 0.07 0.70 -0.40 0.24 0.00 0.00 0.00 178.15 178.76 3dbs h MET 851 N 0.26 0.88 -0.56 2.37 2.86 -1.31 -1.54 114.93 117.89 3dbs h MET 851 Ca -0.06 -0.49 0.08 0.00 -2.06 0.00 0.00 59.70 57.17 3dbs h MET 851 Cb 1.49 0.03 -0.06 0.00 0.06 0.00 0.00 31.60 33.11 3dbs h MET 851 CO 0.15 1.13 0.23 0.93 1.06 0.00 0.00 176.91 180.41 3dbs h GLU 852 N 0.68 0.41 -0.07 1.72 5.08 -1.51 -0.82 114.58 120.08 3dbs h GLU 852 Ca 0.05 -0.02 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 3dbs h GLU 852 Cb 0.99 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 3dbs h GLU 852 CO 0.10 0.27 -0.29 0.66 -1.00 0.00 0.00 179.01 178.75 3dbs h SER 853 N 0.42 0.12 0.05 1.42 4.64 -1.21 -1.80 113.55 117.20 3dbs h SER 853 Ca 0.27 -0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.55 3dbs h SER 853 Cb 0.29 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.35 3dbs h SER 853 CO -0.25 0.41 -0.03 0.40 -0.87 0.00 0.00 176.83 176.49 3dbs h ILE 854 N 0.11 1.22 -0.09 0.95 2.04 -0.68 -2.49 117.51 118.57 3dbs h ILE 854 Ca 0.02 -0.97 0.03 0.00 1.00 0.00 0.00 64.86 64.93 3dbs h ILE 854 Cb 0.58 1.86 -0.00 0.00 -0.74 0.00 0.00 36.82 38.51 3dbs h ILE 854 CO 0.04 0.24 0.23 -0.50 0.00 0.00 0.00 178.15 178.16 3dbs h TRP 855 N -0.50 0.00 -0.46 1.37 6.55 -0.98 -0.75 115.95 121.18 3dbs h TRP 855 Ca -0.01 0.00 -0.12 0.00 0.95 0.00 0.00 58.89 59.72 3dbs h TRP 855 Cb 0.45 0.00 -0.02 0.00 -0.86 0.00 0.00 29.16 28.73 3dbs h TRP 855 CO 0.07 0.00 -0.17 1.49 -1.05 0.00 0.00 178.44 178.78 3dbs h GLU 856 N 0.00 0.89 0.00 0.49 4.81 -0.86 0.44 114.58 120.36 3dbs h GLU 856 Ca 0.04 -0.35 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 3dbs h GLU 856 Cb 0.50 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.84 3dbs h GLU 856 CO -0.00 0.99 0.06 1.79 -0.73 0.00 0.00 179.01 181.13 3dbs h THR 857 N 0.78 0.00 -0.34 0.32 1.35 -1.08 -2.87 112.91 111.08 3dbs h THR 857 Ca 0.11 0.00 -0.26 0.00 -0.55 0.00 0.00 66.41 65.71 3dbs h THR 857 Cb 0.71 0.72 -0.33 0.00 -1.73 0.00 0.00 68.15 67.51 3dbs h THR 857 CO 0.05 0.00 -0.91 -0.62 -0.25 0.00 0.00 175.52 173.79 3dbs n GLU 858 N -2.68 1.80 -2.40 4.72 1.02 -1.09 -5.00 120.64 117.01 3dbs n GLU 858 Ca -0.02 -3.30 -0.18 0.00 -0.02 0.00 0.00 57.16 53.64 3dbs n GLU 858 Cb 0.11 -1.42 -0.01 0.00 -0.02 0.00 0.00 31.44 30.11 3dbs n GLU 858 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 3dbs n SER 859 N -0.47 -5.19 -4.23 1.62 7.64 -1.08 -4.94 113.62 106.98 3dbs n SER 859 Ca 0.19 0.07 -0.35 0.00 1.01 0.00 0.00 58.87 59.79 3dbs n SER 859 Cb 0.90 -4.35 -0.14 0.00 -1.01 0.00 0.00 64.21 59.61 3dbs n SER 859 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3dbs s LEU 860 N -5.86 3.03 -0.13 -3.43 1.43 0.13 -4.48 118.68 109.38 3dbs s LEU 860 Ca 0.00 -0.72 -0.03 0.00 -1.03 0.00 0.00 54.13 52.36 3dbs s LEU 860 Cb 0.00 -1.67 -0.03 0.00 0.03 0.00 0.00 46.19 44.52 3dbs s LEU 860 CO 0.00 -0.09 -0.03 -0.62 0.23 0.00 0.00 176.35 175.85 3dbs s ASP 861 N 1.37 4.95 -0.07 2.29 2.15 -1.26 -3.88 116.67 122.21 3dbs s ASP 861 Ca 0.02 -0.03 0.11 0.00 0.43 0.00 0.00 52.55 53.09 3dbs s ASP 861 Cb -0.16 -1.62 0.17 0.00 -0.30 0.00 0.00 42.92 41.01 3dbs s ASP 861 CO -0.05 0.25 1.06 0.18 -0.17 0.00 0.00 175.17 176.45 3dbs n LEU 862 N 2.97 1.62 -4.53 -1.34 7.99 -1.26 -5.00 117.00 117.45 3dbs n LEU 862 Ca -0.18 -2.28 -0.42 0.00 -0.01 0.00 0.00 56.01 53.12 3dbs n LEU 862 Cb 0.53 -0.25 -0.08 0.00 -0.11 0.00 0.00 43.42 43.51 3dbs n LEU 862 CO 0.31 0.53 -0.16 0.00 -1.51 0.00 0.00 177.39 176.56 3dbs s LEU 864 N -7.25 4.04 -0.80 0.00 1.43 -1.26 -4.69 118.68 110.14 3dbs s LEU 864 Ca 0.81 2.29 0.01 0.00 -1.03 0.00 0.00 54.13 56.21 3dbs s LEU 864 Cb -0.47 -4.21 0.20 0.00 0.03 0.00 0.00 46.19 41.73 3dbs s LEU 864 CO 1.02 -0.86 0.64 -0.76 0.23 0.00 0.00 176.35 176.63 3dbs s LEU 865 N -2.94 5.23 -1.13 1.79 1.02 -1.26 -5.01 118.68 116.39 3dbs s LEU 865 Ca 0.62 -3.72 -0.21 0.00 0.02 0.00 0.00 54.13 50.84 3dbs s LEU 865 Cb -0.28 -1.80 0.04 0.00 0.02 0.00 0.00 46.19 44.17 3dbs s LEU 865 CO 0.35 -0.15 1.62 -2.16 0.02 0.00 0.00 176.35 176.02 3dbs s PRO 866 N -1.31 3.60 0.77 1.29 0.04 -1.26 -4.89 135.00 133.24 3dbs s PRO 866 Ca 0.26 -1.39 -0.11 0.00 0.04 0.00 0.00 61.00 59.80 3dbs s PRO 866 Cb -0.07 -5.40 0.06 0.00 0.04 0.00 0.00 34.50 29.13 3dbs s PRO 866 CO -0.13 -2.41 1.10 1.52 0.04 0.00 0.00 177.00 177.11 3dbs s TYR 867 N 5.41 2.46 0.67 0.56 -0.85 -1.26 -4.98 117.35 119.37 3dbs s TYR 867 Ca 0.52 1.58 -0.17 0.00 -0.52 0.00 0.00 57.07 58.48 3dbs s TYR 867 Cb 0.01 -3.10 0.00 0.00 0.38 0.00 0.00 41.96 39.25 3dbs s TYR 867 CO -0.01 -1.92 1.26 0.20 -1.52 0.00 0.00 175.55 173.56 3dbs s GLY 868 N -3.19 2.69 -0.30 5.49 0.00 -1.26 -4.87 107.32 105.88 3dbs s GLY 868 Ca 0.63 1.09 -0.14 0.00 0.00 0.00 0.00 44.72 46.29 3dbs s GLY 868 CO 0.54 1.51 1.06 0.00 0.00 0.00 0.00 173.10 176.21 3dbs s ILE 870 N 2.64 1.02 0.18 0.00 -1.09 -0.67 -4.63 121.20 118.65 3dbs s ILE 870 Ca -0.01 -0.36 -0.30 0.00 -2.23 0.00 0.00 60.65 57.75 3dbs s ILE 870 Cb -0.07 -0.99 -0.08 0.00 -1.58 0.00 0.00 42.46 39.74 3dbs s ILE 870 CO -0.14 0.35 1.16 -0.44 -1.23 0.00 0.00 174.94 174.64 3dbs s SER 871 N 1.14 7.15 -0.03 3.58 0.01 -1.26 -1.64 113.70 122.64 3dbs s SER 871 Ca -0.06 2.18 0.04 0.00 1.31 0.00 0.00 55.95 59.42 3dbs s SER 871 Cb -0.14 -2.61 -0.06 0.00 0.21 0.00 0.00 66.02 63.42 3dbs s SER 871 CO -0.02 -0.32 0.04 0.35 0.41 0.00 0.00 173.24 173.70 3dbs n THR 872 N 2.48 0.21 -2.87 1.44 -2.24 -1.17 -4.45 114.28 107.68 3dbs n THR 872 Ca 0.04 -0.16 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 3dbs n THR 872 Cb 0.45 -0.53 0.00 0.00 -2.10 0.00 0.00 70.33 68.15 3dbs n THR 872 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dbs n GLY 873 N 2.60 1.91 3.64 3.38 0.00 -1.22 -4.61 105.19 110.89 3dbs n GLY 873 Ca -0.05 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.67 3dbs n GLY 873 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3dbs s ASP 874 N 0.15 6.78 -1.36 1.61 2.15 -1.26 -3.44 116.67 121.29 3dbs s ASP 874 Ca 0.00 1.26 -0.08 0.00 0.43 0.00 0.00 52.55 54.16 3dbs s ASP 874 Cb 0.00 -2.54 0.02 0.00 -0.30 0.00 0.00 42.92 40.10 3dbs s ASP 874 CO 0.00 -0.98 1.11 0.29 -0.17 0.00 0.00 175.17 175.42 3dbs n LYS 875 N 7.08 -7.28 -3.56 4.34 5.02 -1.26 -4.91 118.16 117.58 3dbs n LYS 875 Ca 0.14 0.79 -0.09 0.00 -2.02 0.00 0.00 58.31 57.13 3dbs n LYS 875 Cb 0.46 -5.79 -0.04 0.00 -0.02 0.00 0.00 35.03 29.64 3dbs n LYS 875 CO 0.00 0.00 0.00 -1.50 -0.52 0.00 0.00 177.40 175.38 3dbs s ILE 876 N -3.34 0.00 -3.51 -0.18 2.07 -1.22 -0.07 121.20 114.95 3dbs s ILE 876 Ca 0.49 0.00 0.00 0.00 -1.41 0.00 0.00 60.65 59.73 3dbs s ILE 876 Cb -0.22 -1.00 0.00 0.00 0.13 0.00 0.00 42.46 41.37 3dbs s ILE 876 CO 0.75 0.00 0.00 0.61 -1.91 0.00 0.00 174.94 174.39 3dbs n GLY 877 N 0.36 -1.36 3.41 1.50 0.00 -0.81 -3.03 105.19 105.26 3dbs n GLY 877 Ca -0.08 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 3dbs n GLY 877 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 3dbs s MET 878 N -1.41 1.53 -0.04 1.61 0.23 -0.65 -2.13 119.30 118.43 3dbs s MET 878 Ca 0.00 -1.80 -0.05 0.00 -1.03 0.00 0.00 55.69 52.81 3dbs s MET 878 Cb 0.00 -0.93 0.01 0.00 -1.53 0.00 0.00 34.83 32.38 3dbs s MET 878 CO 0.00 -0.07 0.13 0.42 -2.03 0.00 0.00 175.02 173.47 3dbs s ILE 879 N -3.20 0.01 0.15 3.16 1.01 -0.50 -1.67 121.20 120.17 3dbs s ILE 879 Ca 0.31 -0.12 -0.29 0.00 0.00 0.00 0.00 60.65 60.55 3dbs s ILE 879 Cb 0.06 -0.22 -0.07 0.00 0.01 0.00 0.00 42.46 42.24 3dbs s ILE 879 CO 0.12 -0.07 0.93 -0.70 0.00 0.00 0.00 174.94 175.22 3dbs s GLU 880 N -0.17 4.73 -0.38 2.79 2.12 -0.74 -1.26 118.70 125.80 3dbs s GLU 880 Ca -0.02 1.42 -0.19 0.00 0.36 0.00 0.00 54.97 56.54 3dbs s GLU 880 Cb -0.02 -3.34 0.01 0.00 0.26 0.00 0.00 34.13 31.04 3dbs s GLU 880 CO 0.00 0.34 0.53 0.42 -0.54 0.00 0.00 175.26 176.02 3dbs s ILE 881 N -0.46 4.98 -0.02 -3.70 1.01 -0.63 -4.78 121.20 117.61 3dbs s ILE 881 Ca 0.44 0.22 -0.30 0.00 0.00 0.00 0.00 60.65 61.01 3dbs s ILE 881 Cb -0.24 -4.03 -0.05 0.00 0.01 0.00 0.00 42.46 38.16 3dbs s ILE 881 CO 0.30 -0.32 1.36 -0.69 0.00 0.00 0.00 174.94 175.59 3dbs s VAL 882 N 2.46 3.84 0.37 2.92 1.01 -1.26 -4.62 120.40 125.11 3dbs s VAL 882 Ca 0.19 1.20 -0.27 0.00 0.00 0.00 0.00 61.98 63.10 3dbs s VAL 882 Cb -0.15 -3.77 -0.10 0.00 0.00 0.00 0.00 36.38 32.36 3dbs s VAL 882 CO 0.14 -0.01 1.31 -0.54 0.00 0.00 0.00 175.10 176.00 3dbs s LYS 883 N 2.43 4.18 -1.26 2.72 3.01 -1.26 -3.61 119.74 125.95 3dbs s LYS 883 Ca 0.62 2.19 -0.00 0.00 -1.01 0.00 0.00 55.97 57.77 3dbs s LYS 883 Cb -0.30 -2.92 0.00 0.00 -1.01 0.00 0.00 37.83 33.60 3dbs s LYS 883 CO 0.25 -0.33 0.06 -0.25 0.51 0.00 0.00 175.35 175.60 3dbs n ASP 884 N 0.49 -4.59 -4.81 2.83 8.00 -1.26 -4.80 116.55 112.41 3dbs n ASP 884 Ca 0.02 -0.04 -0.28 0.00 0.71 0.00 0.00 54.79 55.20 3dbs n ASP 884 Cb 0.43 -3.69 -0.05 0.00 -0.02 0.00 0.00 41.12 37.78 3dbs n ASP 884 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3dbs s ALA 885 N -2.79 3.64 -0.10 2.24 0.00 -1.24 -1.35 121.76 122.16 3dbs s ALA 885 Ca 0.03 -1.12 -0.09 0.00 0.00 0.00 0.00 51.96 50.79 3dbs s ALA 885 Cb -0.01 -1.46 0.03 0.00 0.00 0.00 0.00 23.12 21.68 3dbs s ALA 885 CO 0.04 0.59 0.26 0.99 0.00 0.00 0.00 175.76 177.64 3dbs s THR 886 N -1.63 -0.00 0.33 0.00 2.01 -0.59 -4.96 115.64 110.79 3dbs s THR 886 Ca 0.31 0.02 -0.29 0.00 0.31 0.00 0.00 61.69 62.04 3dbs s THR 886 Cb -0.11 -0.37 -0.10 0.00 0.01 0.00 0.00 72.50 71.93 3dbs s THR 886 CO 0.24 0.01 1.27 -0.89 -0.69 0.00 0.00 174.62 174.56 3dbs s THR 887 N 0.28 2.84 0.25 -0.82 2.01 -1.26 -1.57 115.64 117.36 3dbs s THR 887 Ca -0.01 0.84 -0.01 0.00 0.31 0.00 0.00 61.69 62.81 3dbs s THR 887 Cb -0.03 -3.53 0.06 0.00 0.01 0.00 0.00 72.50 69.01 3dbs s THR 887 CO -0.01 0.19 1.68 0.40 -0.69 0.00 0.00 174.62 176.20 3dbs h ILE 888 N 3.00 1.27 0.00 1.82 5.03 -0.90 -2.19 117.51 125.54 3dbs h ILE 888 Ca -0.49 -1.27 -0.01 0.00 -0.12 0.00 0.00 64.86 62.97 3dbs h ILE 888 Cb 1.22 1.23 -0.00 0.00 -3.03 0.00 0.00 36.82 36.24 3dbs h ILE 888 CO 0.65 0.42 -0.07 0.00 -0.68 0.00 0.00 178.15 178.47 3dbs h ALA 889 N 1.19 1.84 -0.25 1.87 0.00 -1.76 -2.36 119.26 119.78 3dbs h ALA 889 Ca 0.09 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.77 3dbs h ALA 889 Cb 0.67 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.45 3dbs h ALA 889 CO 0.05 0.09 -0.48 -0.22 0.00 0.00 0.00 179.25 178.69 3dbs h LYS 890 N 0.00 0.76 0.00 0.00 1.63 -1.73 -1.36 116.57 115.88 3dbs h LYS 890 Ca -0.00 -0.49 -0.03 0.00 -0.85 0.00 0.00 60.65 59.28 3dbs h LYS 890 Cb 0.13 0.06 -0.00 0.00 -0.60 0.00 0.00 32.23 31.81 3dbs h LYS 890 CO 0.01 1.11 -0.16 0.82 -3.45 0.00 0.00 179.45 177.78 3dbs h ILE 891 N 0.51 0.80 0.00 2.00 2.04 -1.27 -1.61 117.51 119.97 3dbs h ILE 891 Ca 0.01 -0.64 -0.17 0.00 1.00 0.00 0.00 64.86 65.06 3dbs h ILE 891 Cb 1.08 1.38 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 3dbs h ILE 891 CO 0.11 0.16 -0.87 1.56 0.00 0.00 0.00 178.15 179.11 3dbs h GLN 892 N 0.00 0.00 -0.92 2.37 1.08 -1.21 -3.22 115.11 113.20 3dbs h GLN 892 Ca -0.00 0.00 -0.03 0.00 -1.45 0.00 0.00 58.65 57.17 3dbs h GLN 892 Cb 0.37 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 27.78 3dbs h GLN 892 CO 0.02 0.77 0.04 1.04 -0.95 0.00 0.00 178.83 179.75 3dbs n GLN 893 N -3.27 1.79 -0.34 1.46 6.02 -0.53 -4.55 117.38 117.95 3dbs n GLN 893 Ca -0.00 -0.76 -0.09 0.00 -0.01 0.00 0.00 57.00 56.14 3dbs n GLN 893 Cb 0.87 -1.59 -0.08 0.00 1.02 0.00 0.00 30.24 30.46 3dbs n GLN 893 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 3dbs n SER 894 N 0.14 -0.87 -3.45 1.08 7.64 -1.14 -4.43 113.62 112.59 3dbs n SER 894 Ca 0.09 1.51 -0.14 0.00 1.01 0.00 0.00 58.87 61.35 3dbs n SER 894 Cb 0.56 -0.22 -0.00 0.00 -1.01 0.00 0.00 64.21 63.54 3dbs n SER 894 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3dbs n THR 895 N -4.95 0.00 0.00 0.44 -1.04 -1.26 -4.98 114.28 102.49 3dbs n THR 895 Ca 0.02 -1.13 0.00 0.00 -2.04 0.00 0.00 64.05 60.89 3dbs n THR 895 Cb 0.21 -0.22 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 3dbs n THR 895 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 3dbs n VAL 896 N -1.12 0.00 -2.86 12.58 0.31 -1.26 -4.70 118.33 121.27 3dbs n VAL 896 Ca -0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.20 3dbs n VAL 896 Cb 0.32 0.00 0.06 0.00 -0.91 0.00 0.00 33.84 33.31 3dbs n VAL 896 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dbs n GLY 897 N 0.00 -0.25 3.42 2.92 0.00 -1.26 -4.73 105.19 105.29 3dbs n GLY 897 Ca 0.00 0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.95 3dbs n GLY 897 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3dbs n ASN 898 N -2.53 -0.16 -1.44 1.61 2.85 -1.26 -2.62 115.26 111.71 3dbs n ASN 898 Ca -0.14 -1.36 -0.03 0.00 -0.11 0.00 0.00 54.58 52.93 3dbs n ASN 898 Cb 0.60 -1.09 -0.01 0.00 1.24 0.00 0.00 39.78 40.53 3dbs n ASN 898 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 3dbs n THR 899 N 6.88 -0.04 0.00 -0.44 -1.04 -1.26 -2.03 114.28 116.35 3dbs n THR 899 Ca 0.42 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.43 3dbs n THR 899 Cb 0.36 -0.33 0.00 0.00 -1.82 0.00 0.00 70.33 68.54 3dbs n THR 899 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3dbs n GLY 900 N -0.19 1.42 3.76 3.41 0.00 -1.08 -5.02 105.19 107.49 3dbs n GLY 900 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 3dbs n GLY 900 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3dbs s ALA 901 N -1.82 2.92 -0.05 4.61 0.00 -0.86 -4.95 121.76 121.61 3dbs s ALA 901 Ca 0.00 1.22 -0.05 0.00 0.00 0.00 0.00 51.96 53.13 3dbs s ALA 901 Cb 0.00 -3.51 0.02 0.00 0.00 0.00 0.00 23.12 19.63 3dbs s ALA 901 CO 0.00 -1.12 0.14 -0.06 0.00 0.00 0.00 175.76 174.72 3dbs s PHE 902 N -1.36 -0.16 -0.12 0.00 0.40 -1.26 -4.75 117.98 110.72 3dbs s PHE 902 Ca 0.68 0.39 -0.06 0.00 -0.60 0.00 0.00 56.93 57.34 3dbs s PHE 902 Cb -0.37 0.04 0.05 0.00 0.51 0.00 0.00 43.02 43.25 3dbs s PHE 902 CO 0.45 -0.08 0.27 -1.59 0.70 0.00 0.00 175.22 174.96 3dbs s LYS 903 N 0.19 0.21 0.21 0.44 -2.85 -1.26 -5.07 119.74 111.61 3dbs s LYS 903 Ca -0.01 0.63 -0.10 0.00 -1.00 0.00 0.00 55.97 55.50 3dbs s LYS 903 Cb -0.02 -0.08 0.20 0.00 -2.06 0.00 0.00 37.83 35.88 3dbs s LYS 903 CO -0.00 -0.20 1.85 -0.44 0.10 0.00 0.00 175.35 176.65 3dbs h ASP 904 N 7.55 0.74 0.54 0.03 3.45 -1.96 -3.30 116.42 123.46 3dbs h ASP 904 Ca -0.32 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.14 3dbs h ASP 904 Cb 1.14 -0.16 0.00 0.00 -0.56 0.00 0.00 39.33 39.76 3dbs h ASP 904 CO 0.29 0.51 -0.16 -0.62 -1.57 0.00 0.00 179.24 177.69 3dbs n GLU 905 N -4.66 0.39 -0.10 3.56 1.02 -1.26 -4.09 120.64 115.50 3dbs n GLU 905 Ca 0.08 -0.13 -0.14 0.00 -0.02 0.00 0.00 57.16 56.95 3dbs n GLU 905 Cb 0.09 -1.50 -0.03 0.00 -0.02 0.00 0.00 31.44 29.98 3dbs n GLU 905 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 3dbs h VAL 906 N 0.31 1.28 -1.00 2.62 2.07 -1.91 -3.16 116.25 116.46 3dbs h VAL 906 Ca 0.00 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 66.02 3dbs h VAL 906 Cb 0.42 1.51 -0.07 0.00 -1.52 0.00 0.00 31.29 31.63 3dbs h VAL 906 CO 0.00 0.52 0.64 -0.07 0.02 0.00 0.00 177.57 178.69 3dbs h LEU 907 N 0.65 1.00 -0.82 2.57 3.38 -1.84 -2.20 115.31 118.05 3dbs h LEU 907 Ca 0.04 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 3dbs h LEU 907 Cb 1.01 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 3dbs h LEU 907 CO 0.10 0.59 -0.18 -1.13 0.09 0.00 0.00 178.44 177.91 3dbs h ASN 908 N 1.11 0.69 -0.59 -0.43 -0.73 -1.86 -2.49 115.58 111.27 3dbs h ASN 908 Ca 0.46 -0.22 -0.10 0.00 1.87 0.00 0.00 56.30 58.31 3dbs h ASN 908 Cb 0.30 -0.19 -0.02 0.00 0.27 0.00 0.00 38.32 38.68 3dbs h ASN 908 CO -0.21 0.87 -0.01 0.45 -0.37 0.00 0.00 177.43 178.16 3dbs h HIS 909 N 0.61 1.16 -0.31 0.67 3.86 -1.50 -2.81 115.15 116.83 3dbs h HIS 909 Ca 0.10 -0.20 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 3dbs h HIS 909 Cb 0.65 -0.30 -0.02 0.00 1.06 0.00 0.00 27.41 28.80 3dbs h HIS 909 CO 0.03 1.02 0.14 2.35 0.86 0.00 0.00 177.93 182.33 3dbs h TRP 910 N 0.97 0.41 -0.05 2.45 7.01 -1.10 -2.70 115.95 122.94 3dbs h TRP 910 Ca 0.17 -0.00 -0.15 0.00 2.11 0.00 0.00 58.89 61.01 3dbs h TRP 910 Cb 0.57 -0.13 -0.01 0.00 -2.10 0.00 0.00 29.16 27.48 3dbs h TRP 910 CO 0.04 0.32 -0.66 -0.07 -2.79 0.00 0.00 178.44 175.27 3dbs h LEU 911 N 0.43 0.24 -0.46 0.65 3.38 -1.20 -3.16 115.31 115.18 3dbs h LEU 911 Ca 0.11 -0.15 -0.16 0.00 0.09 0.00 0.00 57.88 57.77 3dbs h LEU 911 Cb 0.06 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3dbs h LEU 911 CO -0.01 0.83 -0.75 0.50 0.09 0.00 0.00 178.44 179.09 3dbs h LYS 912 N 0.14 0.00 -0.52 1.13 3.64 -1.37 -3.18 116.57 116.42 3dbs h LYS 912 Ca -0.01 0.00 -0.06 0.00 -1.27 0.00 0.00 60.65 59.30 3dbs h LYS 912 Cb 1.19 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.99 3dbs h LYS 912 CO 0.10 0.75 0.07 1.49 -2.27 0.00 0.00 179.45 179.59 3dbs h GLU 913 N 0.00 0.87 -0.49 1.90 4.81 -1.49 -3.07 114.58 117.11 3dbs h GLU 913 Ca -0.01 -0.24 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 3dbs h GLU 913 Cb 1.35 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 30.64 3dbs h GLU 913 CO 0.10 0.86 0.00 1.63 -0.73 0.00 0.00 179.01 180.87 3dbs n LYS 914 N -4.37 2.17 -3.70 1.92 4.76 -1.22 -4.63 118.16 113.09 3dbs n LYS 914 Ca 0.02 -1.39 -0.29 0.00 -2.87 0.00 0.00 58.31 53.77 3dbs n LYS 914 Cb 0.27 -1.46 -0.13 0.00 -1.84 0.00 0.00 35.03 31.87 3dbs n LYS 914 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 3dbs s SER 915 N -0.82 3.60 0.55 4.39 0.15 -1.16 -4.84 113.70 115.57 3dbs s SER 915 Ca 0.25 -2.69 0.27 0.00 0.70 0.00 0.00 55.95 54.48 3dbs s SER 915 Cb 0.15 -1.03 1.45 0.00 -1.71 0.00 0.00 66.02 64.88 3dbs s SER 915 CO 0.14 -0.26 1.97 -0.65 1.20 0.00 0.00 173.24 175.65 3dbs h PRO 916 N 6.63 0.00 -6.51 5.44 0.11 -1.82 -3.40 132.00 132.45 3dbs h PRO 916 Ca 0.01 0.00 -0.68 0.00 0.11 0.00 0.00 66.00 65.44 3dbs h PRO 916 Cb 0.92 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 31.83 3dbs h PRO 916 CO 0.48 0.00 -0.77 0.95 -0.21 0.00 0.00 178.00 178.45 3dbs s THR 917 N -4.90 3.08 0.57 -1.15 -4.23 -1.26 -5.01 115.64 102.74 3dbs s THR 917 Ca -0.05 -1.12 0.26 0.00 -1.18 0.00 0.00 61.69 59.60 3dbs s THR 917 Cb 0.19 -2.34 0.34 0.00 1.34 0.00 0.00 72.50 72.03 3dbs s THR 917 CO 0.69 0.30 2.18 -0.08 -0.54 0.00 0.00 174.62 177.17 3dbs h GLU 918 N 4.35 0.00 -0.30 3.99 4.22 -1.97 -2.66 114.58 122.21 3dbs h GLU 918 Ca -0.48 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 3dbs h GLU 918 Cb 1.16 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 3dbs h GLU 918 CO 0.50 0.00 0.18 1.49 -2.18 0.00 0.00 179.01 178.99 3dbs h GLU 919 N 0.00 0.41 0.00 1.92 4.81 -1.95 -2.33 114.58 117.44 3dbs h GLU 919 Ca 0.04 -0.04 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 3dbs h GLU 919 Cb 0.18 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.47 3dbs h GLU 919 CO -0.00 0.32 -0.11 0.87 -0.73 0.00 0.00 179.01 179.36 3dbs h LYS 920 N 0.38 0.00 -0.52 1.92 1.57 -1.83 -2.92 116.57 115.17 3dbs h LYS 920 Ca 0.11 0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.82 3dbs h LYS 920 Cb 0.02 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 3dbs h LYS 920 CO -0.02 0.11 0.04 0.35 -0.57 0.00 0.00 179.45 179.36 3dbs h PHE 921 N 0.00 0.96 0.00 -1.35 3.57 -1.31 -1.53 116.94 117.27 3dbs h PHE 921 Ca -0.00 -0.15 -0.10 0.00 3.53 0.00 0.00 57.97 61.25 3dbs h PHE 921 Cb 0.64 -0.26 -0.01 0.00 2.79 0.00 0.00 35.95 39.11 3dbs h PHE 921 CO 0.00 0.88 -0.48 1.96 -2.23 0.00 0.00 178.31 178.43 3dbs h GLN 922 N 0.77 0.00 -0.14 1.11 1.08 -1.44 -2.17 115.11 114.32 3dbs h GLN 922 Ca 0.15 0.00 -0.05 0.00 -1.45 0.00 0.00 58.65 57.31 3dbs h GLN 922 Cb 0.46 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 27.88 3dbs h GLN 922 CO 0.02 0.48 -0.13 0.00 -0.95 0.00 0.00 178.83 178.25 3dbs h ALA 923 N 1.52 1.52 -0.15 3.87 0.00 -1.31 -1.17 119.26 123.53 3dbs h ALA 923 Ca -0.00 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.51 3dbs h ALA 923 Cb 1.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.76 3dbs h ALA 923 CO 0.06 0.34 -0.71 0.00 0.00 0.00 0.00 179.25 178.95 3dbs h ALA 924 N 1.66 0.46 -0.01 0.00 0.00 -0.82 -1.84 119.26 118.71 3dbs h ALA 924 Ca 0.04 -0.58 -0.19 0.00 0.00 0.00 0.00 54.91 54.18 3dbs h ALA 924 Cb 0.36 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 3dbs h ALA 924 CO 0.02 0.71 -0.83 0.28 0.00 0.00 0.00 179.25 179.43 3dbs h VAL 925 N 0.47 1.46 -0.35 0.00 2.07 -1.12 0.00 116.25 118.78 3dbs h VAL 925 Ca -0.03 -2.48 -0.07 0.00 0.82 0.00 0.00 66.70 64.95 3dbs h VAL 925 Cb 1.31 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 33.43 3dbs h VAL 925 CO 0.14 0.73 -0.04 -0.08 0.02 0.00 0.00 177.57 178.33 3dbs h GLU 926 N 0.14 0.64 -0.20 1.57 4.57 -1.25 -1.91 114.58 118.14 3dbs h GLU 926 Ca -0.04 -0.23 -0.03 0.00 -1.18 0.00 0.00 59.36 57.88 3dbs h GLU 926 Cb 1.44 -0.05 -0.01 0.00 -0.16 0.00 0.00 28.75 29.97 3dbs h GLU 926 CO 0.13 0.79 -0.01 -0.09 -1.18 0.00 0.00 179.01 178.64 3dbs h ARG 927 N 0.44 0.29 0.00 1.92 2.43 -1.20 -2.50 114.38 115.77 3dbs h ARG 927 Ca 0.09 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.11 3dbs h ARG 927 Cb 0.52 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 30.01 3dbs h ARG 927 CO 0.03 0.33 -0.50 0.35 -1.51 0.00 0.00 179.97 178.67 3dbs h PHE 928 N 0.28 0.00 0.25 2.20 3.57 -0.73 -1.48 116.94 121.03 3dbs h PHE 928 Ca 0.07 0.00 -0.34 0.00 3.53 0.00 0.00 57.97 61.23 3dbs h PHE 928 Cb 0.22 0.00 0.04 0.00 2.79 0.00 0.00 35.95 39.00 3dbs h PHE 928 CO 0.00 0.50 -1.52 0.28 -2.23 0.00 0.00 178.31 175.34 3dbs h VAL 929 N 0.00 1.24 -0.25 1.41 2.07 -0.99 -1.50 116.25 118.24 3dbs h VAL 929 Ca -0.00 -2.68 -0.04 0.00 0.82 0.00 0.00 66.70 64.79 3dbs h VAL 929 Cb 1.28 3.01 -0.01 0.00 -1.52 0.00 0.00 31.29 34.06 3dbs h VAL 929 CO 0.06 0.82 -0.01 1.88 0.02 0.00 0.00 177.57 180.34 3dbs h TYR 930 N 0.14 0.49 -0.18 1.57 -1.99 -1.49 -2.63 116.97 112.88 3dbs h TYR 930 Ca -0.27 -0.09 -0.07 0.00 2.00 0.00 0.00 58.73 60.30 3dbs h TYR 930 Cb 2.17 -0.13 -0.00 0.00 2.00 0.00 0.00 36.73 40.77 3dbs h TYR 930 CO 0.13 0.63 -0.15 0.66 -0.00 0.00 0.00 178.16 179.42 3dbs h SER 931 N 0.21 0.44 -0.41 3.88 4.64 -1.35 -0.82 113.55 120.14 3dbs h SER 931 Ca 0.07 -0.47 0.02 0.00 -0.47 0.00 0.00 61.79 60.94 3dbs h SER 931 Cb 0.44 -0.12 -0.02 0.00 -0.31 0.00 0.00 62.40 62.39 3dbs h SER 931 CO 0.02 0.81 0.27 0.00 -0.87 0.00 0.00 176.83 177.06 3dbs h ALA 933 N 1.75 0.22 -0.41 0.00 0.00 -1.23 -1.92 119.26 117.67 3dbs h ALA 933 Ca 0.16 -0.72 -0.14 0.00 0.00 0.00 0.00 54.91 54.21 3dbs h ALA 933 Cb 0.05 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3dbs h ALA 933 CO -0.04 0.76 -0.28 0.78 0.00 0.00 0.00 179.25 180.47 3dbs h GLY 934 N 0.82 0.99 2.00 0.00 0.00 -0.61 -2.18 103.07 104.09 3dbs h GLY 934 Ca -0.11 -0.94 -0.07 0.00 0.00 0.00 0.00 47.33 46.21 3dbs h GLY 934 CO 0.19 0.85 -0.32 -0.97 0.00 0.00 0.00 176.54 176.29 3dbs h TYR 935 N 0.73 0.00 -0.12 5.60 -1.99 -1.16 -2.59 116.97 117.45 3dbs h TYR 935 Ca 0.08 0.00 -0.06 0.00 2.00 0.00 0.00 58.73 60.76 3dbs h TYR 935 Cb 0.86 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.58 3dbs h TYR 935 CO 0.06 0.32 -0.14 0.00 -0.00 0.00 0.00 178.16 178.40 3dbs h VAL 937 N -0.09 1.44 -0.84 0.00 2.07 -1.42 -1.74 116.25 115.66 3dbs h VAL 937 Ca 0.02 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.11 3dbs h VAL 937 Cb 0.68 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 32.69 3dbs h VAL 937 CO 0.03 0.41 0.51 0.00 0.02 0.00 0.00 177.57 178.55 3dbs h ALA 938 N 0.44 1.18 -0.01 1.67 0.00 -1.60 -2.33 119.26 118.61 3dbs h ALA 938 Ca -0.00 0.00 -0.19 0.00 0.00 0.00 0.00 54.91 54.72 3dbs h ALA 938 Cb 0.74 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3dbs h ALA 938 CO 0.03 0.22 -0.84 0.00 0.00 0.00 0.00 179.25 178.65 3dbs h THR 939 N 0.91 1.48 -0.58 0.00 1.03 -1.41 -2.66 112.91 111.68 3dbs h THR 939 Ca 0.38 -2.54 -0.09 0.00 -0.01 0.00 0.00 66.41 64.15 3dbs h THR 939 Cb 0.24 2.40 -0.02 0.00 -1.07 0.00 0.00 68.15 69.70 3dbs h THR 939 CO -0.20 0.74 -0.00 0.15 -0.01 0.00 0.00 175.52 176.20 3dbs h PHE 940 N 0.12 1.12 -0.60 0.00 3.57 -1.01 -1.71 116.94 118.43 3dbs h PHE 940 Ca -0.04 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.17 3dbs h PHE 940 Cb 1.46 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.88 3dbs h PHE 940 CO 0.03 1.00 0.01 0.28 -2.23 0.00 0.00 178.31 177.40 3dbs h VAL 941 N 0.92 1.27 -0.01 1.41 2.07 -1.39 -2.77 116.25 117.75 3dbs h VAL 941 Ca 0.16 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.55 3dbs h VAL 941 Cb 0.55 0.81 0.00 0.00 -1.52 0.00 0.00 31.29 31.13 3dbs h VAL 941 CO 0.03 0.41 -0.03 0.18 0.02 0.00 0.00 177.57 178.18 3dbs n LEU 942 N -4.21 1.43 -2.33 2.57 4.77 -1.01 -4.65 117.00 113.58 3dbs n LEU 942 Ca 0.03 -0.47 -0.19 0.00 -0.03 0.00 0.00 56.01 55.35 3dbs n LEU 942 Cb 0.34 -0.02 0.01 0.00 -2.33 0.00 0.00 43.42 41.42 3dbs n LEU 942 CO 0.44 0.24 -0.13 0.61 -1.33 0.00 0.00 177.39 177.22 3dbs n GLY 943 N 1.19 -0.37 2.22 -0.72 0.00 -0.69 -4.92 105.19 101.89 3dbs n GLY 943 Ca 0.18 -0.06 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 3dbs n GLY 943 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3dbs n ILE 944 N -4.17 2.36 0.37 -0.61 -5.35 -0.89 -4.84 119.36 106.22 3dbs n ILE 944 Ca -0.16 -4.29 0.11 0.00 -0.27 0.00 0.00 62.75 58.13 3dbs n ILE 944 Cb 0.64 -0.96 -0.14 0.00 -1.74 0.00 0.00 39.64 37.44 3dbs n ILE 944 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3dbs n GLY 945 N -0.62 -1.02 3.56 3.28 0.00 -1.24 -4.74 105.19 104.40 3dbs n GLY 945 Ca 0.39 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.47 3dbs n GLY 945 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3dbs s ASP 946 N -3.98 6.37 0.04 1.61 1.01 -1.26 -2.92 116.67 117.54 3dbs s ASP 946 Ca -0.02 -1.11 0.03 0.00 0.71 0.00 0.00 52.55 52.16 3dbs s ASP 946 Cb 0.15 -2.57 -0.02 0.00 1.01 0.00 0.00 42.92 41.49 3dbs s ASP 946 CO 0.89 -1.64 -0.11 -0.13 0.21 0.00 0.00 175.17 174.40 3dbs s ARG 947 N 5.26 0.68 0.48 8.23 1.81 -1.26 -5.10 118.95 129.05 3dbs s ARG 947 Ca 0.43 -0.75 -0.20 0.00 -1.72 0.00 0.00 55.73 53.49 3dbs s ARG 947 Cb -0.03 -0.58 -0.08 0.00 -0.45 0.00 0.00 34.95 33.81 3dbs s ARG 947 CO -0.02 0.13 1.05 -1.58 -0.68 0.00 0.00 175.30 174.20 3dbs s HIS 948 N -1.11 2.99 0.61 -0.53 2.46 -1.26 -4.91 115.29 113.54 3dbs s HIS 948 Ca -0.04 1.58 0.27 0.00 0.47 0.00 0.00 55.06 57.33 3dbs s HIS 948 Cb -0.09 -3.09 1.22 0.00 -0.13 0.00 0.00 32.58 30.49 3dbs s HIS 948 CO 0.01 -0.87 1.64 -0.91 -2.47 0.00 0.00 174.74 172.14 3dbs h ASN 949 N 1.61 0.00 0.65 9.88 2.35 -1.94 -2.09 115.58 126.04 3dbs h ASN 949 Ca -0.49 0.00 -0.17 0.00 -0.55 0.00 0.00 56.30 55.08 3dbs h ASN 949 Cb 1.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.58 3dbs h ASN 949 CO 0.59 0.00 -0.80 -0.78 -1.65 0.00 0.00 177.43 174.79 3dbs h ASP 950 N 0.00 0.14 -0.67 5.81 3.58 -1.95 -2.82 116.42 120.52 3dbs h ASP 950 Ca 0.28 -0.10 -0.37 0.00 0.42 0.00 0.00 57.03 57.25 3dbs h ASP 950 Cb 1.80 -0.04 -0.20 0.00 1.72 0.00 0.00 39.33 42.60 3dbs h ASP 950 CO -0.00 0.88 0.48 0.59 -2.88 0.00 0.00 179.24 178.30 3dbs n ASN 951 N -3.67 4.38 -3.84 2.28 5.03 -0.79 -4.76 115.26 113.89 3dbs n ASN 951 Ca -0.02 -3.14 -0.15 0.00 0.87 0.00 0.00 54.58 52.14 3dbs n ASN 951 Cb 0.76 -0.80 -0.15 0.00 -1.02 0.00 0.00 39.78 38.56 3dbs n ASN 951 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3dbs s ILE 952 N -2.47 0.12 0.37 2.41 1.01 -1.08 -2.22 121.20 119.34 3dbs s ILE 952 Ca 0.39 0.05 0.06 0.00 0.00 0.00 0.00 60.65 61.15 3dbs s ILE 952 Cb 0.33 -0.18 -0.07 0.00 0.01 0.00 0.00 42.46 42.55 3dbs s ILE 952 CO 0.05 0.09 0.02 -0.04 0.00 0.00 0.00 174.94 175.06 3dbs s MET 953 N 0.61 1.81 -0.08 2.79 -1.94 0.11 -0.63 119.30 121.97 3dbs s MET 953 Ca -0.06 -2.01 -0.09 0.00 -1.71 0.00 0.00 55.69 51.82 3dbs s MET 953 Cb -0.08 -1.34 0.02 0.00 2.01 0.00 0.00 34.83 35.44 3dbs s MET 953 CO -0.01 -0.08 0.25 -1.50 -0.01 0.00 0.00 175.02 173.67 3dbs s ILE 954 N -2.93 0.01 0.87 2.53 2.07 -0.61 -0.89 121.20 122.24 3dbs s ILE 954 Ca 0.35 -0.08 -0.13 0.00 -1.41 0.00 0.00 60.65 59.38 3dbs s ILE 954 Cb 0.09 -0.38 0.12 0.00 0.13 0.00 0.00 42.46 42.42 3dbs s ILE 954 CO 0.17 -0.04 1.22 0.42 -1.91 0.00 0.00 174.94 174.80 3dbs s THR 955 N -0.06 2.00 0.46 4.00 -4.23 -0.44 -1.54 115.64 115.83 3dbs s THR 955 Ca -0.02 0.00 0.19 0.00 -1.18 0.00 0.00 61.69 60.68 3dbs s THR 955 Cb -0.02 -2.98 0.23 0.00 1.34 0.00 0.00 72.50 71.07 3dbs s THR 955 CO 0.01 0.00 2.05 -0.33 -0.54 0.00 0.00 174.62 175.80 3dbs h GLU 956 N -1.28 0.00 -0.91 3.99 5.08 -1.52 -2.44 114.58 117.50 3dbs h GLU 956 Ca -0.46 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 57.70 3dbs h GLU 956 Cb 1.30 0.00 -0.12 0.00 0.50 0.00 0.00 28.75 30.43 3dbs h GLU 956 CO 0.57 0.14 0.25 -2.37 -1.00 0.00 0.00 179.01 176.60 3dbs n THR 957 N -4.15 2.10 -0.96 1.13 5.66 -1.26 -4.78 114.28 112.03 3dbs n THR 957 Ca -0.02 -1.05 0.00 0.00 -3.05 0.00 0.00 64.05 59.92 3dbs n THR 957 Cb 0.22 -0.56 0.00 0.00 -1.55 0.00 0.00 70.33 68.43 3dbs n THR 957 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3dbs n GLY 958 N -0.18 0.65 3.58 1.09 0.00 -0.92 -4.41 105.19 105.00 3dbs n GLY 958 Ca 0.29 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.89 3dbs n GLY 958 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3dbs s ASN 959 N -2.45 6.31 0.42 1.61 3.84 -1.26 -3.03 114.94 120.39 3dbs s ASN 959 Ca 0.00 0.19 -0.22 0.00 0.21 0.00 0.00 52.86 53.04 3dbs s ASN 959 Cb 0.00 -2.55 -0.10 0.00 -0.55 0.00 0.00 41.25 38.05 3dbs s ASN 959 CO 0.00 -1.58 0.97 -0.22 -2.79 0.00 0.00 177.10 173.48 3dbs s LEU 960 N 5.41 3.99 -0.08 3.21 2.96 -1.26 -1.33 118.68 131.58 3dbs s LEU 960 Ca 0.47 1.77 -0.30 0.00 -0.22 0.00 0.00 54.13 55.85 3dbs s LEU 960 Cb -0.09 -4.45 0.09 0.00 0.50 0.00 0.00 46.19 42.24 3dbs s LEU 960 CO 0.25 -0.41 0.79 0.72 -1.32 0.00 0.00 176.35 176.39 3dbs s PHE 961 N -2.04 -0.55 0.28 5.38 -0.12 -0.07 -4.62 117.98 116.24 3dbs s PHE 961 Ca 0.61 0.90 -0.10 0.00 -0.05 0.00 0.00 56.93 58.30 3dbs s PHE 961 Cb -0.12 0.43 -0.07 0.00 -0.63 0.00 0.00 43.02 42.63 3dbs s PHE 961 CO 0.17 -0.52 0.61 -1.01 -0.05 0.00 0.00 175.22 174.41 3dbs s HIS 962 N -1.31 3.43 0.33 3.49 3.76 -1.26 0.08 115.29 123.82 3dbs s HIS 962 Ca -0.07 0.91 0.03 0.00 -0.15 0.00 0.00 55.06 55.79 3dbs s HIS 962 Cb -0.00 -2.30 -0.06 0.00 1.11 0.00 0.00 32.58 31.33 3dbs s HIS 962 CO 0.06 0.17 0.07 0.96 -0.85 0.00 0.00 174.74 175.15 3dbs s ILE 963 N -1.98 1.04 -1.03 0.60 -4.36 -0.94 -4.92 121.20 109.61 3dbs s ILE 963 Ca 0.48 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.84 3dbs s ILE 963 Cb -0.11 -2.71 -0.05 0.00 1.25 0.00 0.00 42.46 40.85 3dbs s ILE 963 CO 0.24 0.00 0.89 -0.67 0.24 0.00 0.00 174.94 175.63 3dbs n ASP 964 N -0.76 -5.01 0.00 4.36 -0.08 -1.26 -4.86 116.55 108.94 3dbs n ASP 964 Ca -0.03 -0.64 0.04 0.00 -1.51 0.00 0.00 54.79 52.65 3dbs n ASP 964 Cb 0.66 -4.90 0.22 0.00 2.34 0.00 0.00 41.12 39.44 3dbs n ASP 964 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 3dbs n PHE 965 N -3.38 0.00 -1.67 -0.67 3.01 -1.26 -4.81 117.46 108.67 3dbs n PHE 965 Ca -0.13 0.00 -0.43 0.00 1.01 0.00 0.00 57.45 57.90 3dbs n PHE 965 Cb 0.63 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 40.07 3dbs n PHE 965 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3dbs n GLY 966 N 0.43 1.77 2.52 1.37 0.00 -1.26 -4.74 105.19 105.29 3dbs n GLY 966 Ca 0.06 0.78 -0.20 0.00 0.00 0.00 0.00 46.02 46.66 3dbs n GLY 966 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3dbs n HIS 967 N 6.72 0.33 -0.30 1.61 8.25 -1.26 -5.08 115.22 125.50 3dbs n HIS 967 Ca 0.19 -1.89 -0.10 0.00 -0.26 0.00 0.00 57.72 55.66 3dbs n HIS 967 Cb 0.39 -0.08 0.01 0.00 1.12 0.00 0.00 29.99 31.43 3dbs n HIS 967 CO 0.00 0.00 0.00 0.39 0.64 0.00 0.00 176.34 177.37 3dbs n GLU 981 N -0.75 0.00 -4.30 -0.41 1.02 -1.26 -5.10 120.64 109.83 3dbs n GLU 981 Ca -0.08 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.81 3dbs n GLU 981 Cb 0.45 -0.28 -0.09 0.00 -0.02 0.00 0.00 31.44 31.51 3dbs n GLU 981 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3dbs s ARG 982 N -0.45 2.12 -0.12 3.49 0.52 -1.26 -4.95 118.95 118.31 3dbs s ARG 982 Ca 0.13 -1.88 -0.07 0.00 -0.52 0.00 0.00 55.73 53.39 3dbs s ARG 982 Cb -0.08 -1.89 0.04 0.00 0.52 0.00 0.00 34.95 33.55 3dbs s ARG 982 CO 0.21 -0.03 0.29 0.54 0.02 0.00 0.00 175.30 176.33 3dbs s VAL 983 N -2.60 -0.03 0.43 3.52 0.11 -1.26 -5.02 120.40 115.55 3dbs s VAL 983 Ca 0.38 0.11 0.14 0.00 -2.93 0.00 0.00 61.98 59.67 3dbs s VAL 983 Cb 0.04 -0.43 0.17 0.00 -1.53 0.00 0.00 36.38 34.63 3dbs s VAL 983 CO 0.21 0.04 1.97 1.55 -3.33 0.00 0.00 175.10 175.54 3dbs h PRO 984 N 6.87 0.04 -2.56 1.54 0.13 -1.90 -3.36 132.00 132.76 3dbs h PRO 984 Ca -0.37 -0.01 0.14 0.00 -0.87 0.00 0.00 66.00 64.89 3dbs h PRO 984 Cb 1.17 -0.01 -0.04 0.00 0.13 0.00 0.00 31.00 32.26 3dbs h PRO 984 CO 0.35 0.22 0.53 -0.59 -0.23 0.00 0.00 178.00 178.28 3dbs s PHE 985 N -4.63 0.04 -0.26 1.56 -0.12 -1.26 -4.15 117.98 109.17 3dbs s PHE 985 Ca -0.04 -0.46 -0.20 0.00 -0.05 0.00 0.00 56.93 56.18 3dbs s PHE 985 Cb 0.16 0.71 -0.02 0.00 -0.63 0.00 0.00 43.02 43.24 3dbs s PHE 985 CO 0.70 -1.00 0.62 0.08 -0.05 0.00 0.00 175.22 175.57 3dbs s VAL 986 N -2.39 4.99 -0.41 -2.49 1.01 -1.15 -4.87 120.40 115.09 3dbs s VAL 986 Ca 0.19 1.10 0.09 0.00 0.00 0.00 0.00 61.98 63.37 3dbs s VAL 986 Cb -0.03 -3.92 0.34 0.00 0.00 0.00 0.00 36.38 32.77 3dbs s VAL 986 CO 0.06 0.03 0.91 -0.11 0.00 0.00 0.00 175.10 175.99 3dbs n LEU 987 N 5.69 -0.58 -4.69 3.92 7.94 -1.26 -4.91 117.00 123.11 3dbs n LEU 987 Ca -0.01 -4.42 -0.30 0.00 -1.11 0.00 0.00 56.01 50.17 3dbs n LEU 987 Cb 0.49 0.81 0.15 0.00 0.53 0.00 0.00 43.42 45.40 3dbs n LEU 987 CO 0.43 2.19 0.65 0.42 -1.11 0.00 0.00 177.39 179.97 3dbs s THR 988 N -1.23 2.55 0.63 1.96 -4.23 -1.26 -4.69 115.64 109.37 3dbs s THR 988 Ca 0.32 0.18 0.32 0.00 -1.18 0.00 0.00 61.69 61.32 3dbs s THR 988 Cb 0.32 -2.58 0.35 0.00 1.34 0.00 0.00 72.50 71.93 3dbs s THR 988 CO -0.07 -0.23 2.04 -0.65 -0.54 0.00 0.00 174.62 175.17 3dbs h PRO 989 N -1.68 0.00 -0.35 3.99 0.11 -1.89 -1.77 132.00 130.42 3dbs h PRO 989 Ca -0.50 0.00 -0.15 0.00 0.11 0.00 0.00 66.00 65.46 3dbs h PRO 989 Cb 1.29 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 3dbs h PRO 989 CO 0.53 0.00 -0.35 0.38 -0.21 0.00 0.00 178.00 178.35 3dbs h ASP 990 N 0.00 0.91 -0.70 -2.05 3.04 -1.85 -2.62 116.42 113.15 3dbs h ASP 990 Ca 0.06 -0.47 -0.04 0.00 -3.24 0.00 0.00 57.03 53.34 3dbs h ASP 990 Cb 0.59 -0.26 -0.03 0.00 -1.04 0.00 0.00 39.33 38.59 3dbs h ASP 990 CO -0.00 1.20 0.29 -0.26 -2.04 0.00 0.00 179.24 178.43 3dbs h PHE 991 N 0.65 1.07 -0.01 4.15 -1.00 -1.63 -3.16 116.94 117.02 3dbs h PHE 991 Ca 0.05 -0.07 -0.17 0.00 2.81 0.00 0.00 57.97 60.60 3dbs h PHE 991 Cb 0.94 -0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.16 3dbs h PHE 991 CO 0.07 0.81 -0.77 -0.07 -1.61 0.00 0.00 178.31 176.74 3dbs h LEU 992 N 1.04 0.08 -1.90 1.54 3.38 -1.38 -2.58 115.31 115.49 3dbs h LEU 992 Ca 0.24 -0.06 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 3dbs h LEU 992 Cb 0.19 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 3dbs h LEU 992 CO -0.02 0.82 -0.03 0.15 0.09 0.00 0.00 178.44 179.44 3dbs h PHE 993 N 0.04 0.00 -0.20 1.13 3.57 -1.43 -0.82 116.94 119.23 3dbs h PHE 993 Ca -0.02 0.00 -0.21 0.00 3.53 0.00 0.00 57.97 61.28 3dbs h PHE 993 Cb 1.35 0.00 0.01 0.00 2.79 0.00 0.00 35.95 40.10 3dbs h PHE 993 CO 0.01 0.03 -0.70 0.28 -2.23 0.00 0.00 178.31 175.70 3dbs h VAL 994 N 0.00 1.28 0.00 1.41 2.07 -1.50 -3.07 116.25 116.43 3dbs h VAL 994 Ca -0.00 -1.89 0.00 0.00 0.82 0.00 0.00 66.70 65.63 3dbs h VAL 994 Cb 0.37 1.86 0.00 0.00 -1.52 0.00 0.00 31.29 32.00 3dbs h VAL 994 CO 0.00 0.61 0.00 0.23 0.02 0.00 0.00 177.57 178.43 3dbs n MET 995 N -3.96 0.82 -3.28 1.57 2.81 -0.34 -4.87 117.12 109.87 3dbs n MET 995 Ca -0.06 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.66 3dbs n MET 995 Cb 0.70 -1.16 0.06 0.00 -0.71 0.00 0.00 33.22 32.12 3dbs n MET 995 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3dbs n GLY 996 N 0.23 -0.18 3.09 3.03 0.00 -1.02 -3.38 105.19 106.97 3dbs n GLY 996 Ca 0.00 0.02 0.01 0.00 0.00 0.00 0.00 46.02 46.04 3dbs n GLY 996 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3dbs s THR 997 N -3.25 -0.91 -1.09 2.61 2.01 -1.01 -4.65 115.64 109.35 3dbs s THR 997 Ca 0.34 -0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.29 3dbs s THR 997 Cb -0.15 -0.96 0.26 0.00 0.01 0.00 0.00 72.50 71.65 3dbs s THR 997 CO 0.55 -0.04 2.03 -1.54 -0.69 0.00 0.00 174.62 174.94 3dbs n SER 998 N 5.41 7.56 -1.20 3.53 3.41 -1.26 -3.49 113.62 127.57 3dbs n SER 998 Ca -0.01 -3.52 0.00 0.00 -0.26 0.00 0.00 58.87 55.08 3dbs n SER 998 Cb 0.51 -1.22 0.00 0.00 -0.26 0.00 0.00 64.21 63.24 3dbs n SER 998 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3dbs n GLY 999 N 0.46 -4.41 3.29 5.00 0.00 -1.26 -4.85 105.19 103.42 3dbs n GLY 999 Ca 0.52 -0.65 -0.17 0.00 0.00 0.00 0.00 46.02 45.72 3dbs n GLY 999 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3dbs n LYS 1000N 0.00 -6.43 -3.97 1.61 4.76 -1.26 -5.02 118.16 107.85 3dbs n LYS 1000Ca 0.00 0.78 -0.13 0.00 -2.87 0.00 0.00 58.31 56.10 3dbs n LYS 1000Cb 0.00 -5.63 -0.01 0.00 -1.84 0.00 0.00 35.03 27.55 3dbs n LYS 1000CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 3dbs s LYS 1001N -5.48 2.11 0.02 1.97 2.20 -1.26 -5.19 119.74 114.11 3dbs s LYS 1001Ca 0.12 -1.68 0.00 0.00 -0.36 0.00 0.00 55.97 54.06 3dbs s LYS 1001Cb -0.05 0.52 -0.01 0.00 -1.51 0.00 0.00 37.83 36.77 3dbs s LYS 1001CO 0.68 -0.93 -0.03 0.99 -0.36 0.00 0.00 175.35 175.70 3dbs s THR 1002N -2.59 0.17 0.12 3.43 2.01 -1.26 -5.00 115.64 112.51 3dbs s THR 1002Ca 0.25 -0.64 -0.09 0.00 0.31 0.00 0.00 61.69 61.52 3dbs s THR 1002Cb -0.02 -0.25 -0.00 0.00 0.01 0.00 0.00 72.50 72.23 3dbs s THR 1002CO 0.18 -0.30 0.23 -0.94 -0.69 0.00 0.00 174.62 173.10 3dbs s SER 1003N -0.98 0.07 0.24 3.53 1.04 -1.26 -5.03 113.70 111.31 3dbs s SER 1003Ca -0.09 -0.71 -0.07 0.00 0.48 0.00 0.00 55.95 55.55 3dbs s SER 1003Cb -0.07 0.38 0.42 0.00 0.10 0.00 0.00 66.02 66.85 3dbs s SER 1003CO -0.00 -0.79 1.65 -0.65 0.98 0.00 0.00 173.24 174.42 3dbs h PRO 1004N 2.66 0.12 0.00 4.02 0.11 -1.92 0.70 132.00 137.69 3dbs h PRO 1004Ca -0.33 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 65.67 3dbs h PRO 1004Cb 1.21 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 3dbs h PRO 1004CO 0.53 0.08 -0.48 0.45 -0.21 0.00 0.00 178.00 178.37 3dbs h HIS 1005N 0.12 0.00 0.00 0.65 3.86 -1.95 -2.96 115.15 114.87 3dbs h HIS 1005Ca 0.40 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.51 3dbs h HIS 1005Cb 0.70 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.15 3dbs h HIS 1005CO -0.39 0.48 -0.46 0.35 0.86 0.00 0.00 177.93 178.78 3dbs h PHE 1006N 0.00 0.00 -0.29 2.45 3.57 -1.38 -3.11 116.94 118.17 3dbs h PHE 1006Ca -0.00 0.00 -0.10 0.00 3.53 0.00 0.00 57.97 61.39 3dbs h PHE 1006Cb 1.17 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.90 3dbs h PHE 1006CO 0.00 0.46 -0.22 1.96 -2.23 0.00 0.00 178.31 178.27 3dbs h GLN 1007N 0.00 0.67 -0.10 1.11 4.20 -0.77 -2.51 115.11 117.71 3dbs h GLN 1007Ca -0.00 -0.33 0.04 0.00 0.06 0.00 0.00 58.65 58.42 3dbs h GLN 1007Cb 1.31 -0.00 -0.06 0.00 0.30 0.00 0.00 27.48 29.03 3dbs h GLN 1007CO 0.06 0.93 -0.32 -0.22 -0.67 0.00 0.00 178.83 178.61 3dbs h LYS 1008N 0.41 -0.40 -0.38 1.46 3.64 -1.59 -1.63 116.57 118.08 3dbs h LYS 1008Ca 0.06 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.54 3dbs h LYS 1008Cb 0.77 0.09 -0.08 0.00 -0.41 0.00 0.00 32.23 32.60 3dbs h LYS 1008CO 0.06 -0.27 -0.15 0.35 -2.27 0.00 0.00 179.45 177.17 3dbs h PHE 1009N -0.42 -0.35 0.07 1.91 3.57 -1.44 0.35 116.94 120.63 3dbs h PHE 1009Ca 0.09 0.04 -0.00 0.00 3.53 0.00 0.00 57.97 61.62 3dbs h PHE 1009Cb 0.55 0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.51 3dbs h PHE 1009CO -0.39 -0.23 -0.03 1.96 -2.23 0.00 0.00 178.31 177.39 3dbs h GLN 1010N -0.07 -0.09 -0.47 1.11 4.20 -1.37 -0.73 115.11 117.68 3dbs h GLN 1010Ca 0.19 0.01 0.10 0.00 0.06 0.00 0.00 58.65 59.00 3dbs h GLN 1010Cb 0.36 0.02 -0.10 0.00 0.30 0.00 0.00 27.48 28.07 3dbs h GLN 1010CO -0.43 0.06 -0.21 -0.44 -0.67 0.00 0.00 178.83 177.14 3dbs h ASP 1011N -0.23 -0.71 -0.67 1.46 3.32 -0.38 -1.60 116.42 117.61 3dbs h ASP 1011Ca -0.01 0.17 -0.07 0.00 0.02 0.00 0.00 57.03 57.14 3dbs h ASP 1011Cb 0.20 0.39 -0.03 0.00 0.22 0.00 0.00 39.33 40.12 3dbs h ASP 1011CO 0.02 -0.23 0.13 0.40 -1.72 0.00 0.00 179.24 177.83 3dbs h ILE 1012N -0.11 1.26 0.28 0.35 2.04 -0.22 -0.96 117.51 120.16 3dbs h ILE 1012Ca 0.22 -1.00 0.00 0.00 1.00 0.00 0.00 64.86 65.09 3dbs h ILE 1012Cb 0.45 0.62 -0.02 0.00 -0.74 0.00 0.00 36.82 37.13 3dbs h ILE 1012CO -0.54 0.38 -0.29 0.00 0.00 0.00 0.00 178.15 177.70 3dbs h VAL 1014N -0.61 1.23 -0.28 0.00 2.07 -1.15 0.18 116.25 117.70 3dbs h VAL 1014Ca -0.01 -0.99 0.02 0.00 0.82 0.00 0.00 66.70 66.54 3dbs h VAL 1014Cb 0.56 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3dbs h VAL 1014CO -0.07 0.33 0.12 0.11 0.02 0.00 0.00 177.57 178.09 3dbs h LYS 1015N 0.54 0.26 -0.12 1.57 1.57 -0.94 -0.97 116.57 118.48 3dbs h LYS 1015Ca 0.10 -0.02 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 3dbs h LYS 1015Cb 0.47 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.71 3dbs h LYS 1015CO 0.03 0.17 -0.35 0.00 -0.57 0.00 0.00 179.45 178.73 3dbs h ALA 1016N 1.15 1.20 0.09 3.86 0.00 0.25 -2.37 119.26 123.44 3dbs h ALA 1016Ca 0.12 -0.36 -0.12 0.00 0.00 0.00 0.00 54.91 54.54 3dbs h ALA 1016Cb 0.05 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 17.77 3dbs h ALA 1016CO -0.09 0.54 -0.52 -0.92 0.00 0.00 0.00 179.25 178.26 3dbs h TYR 1017N 0.21 0.35 -0.34 0.00 3.20 -0.43 -2.41 116.97 117.55 3dbs h TYR 1017Ca 0.03 -0.25 -0.05 0.00 3.14 0.00 0.00 58.73 61.59 3dbs h TYR 1017Cb 0.71 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.95 3dbs h TYR 1017CO 0.01 1.19 -0.01 -0.07 -1.64 0.00 0.00 178.16 177.64 3dbs h LEU 1018N -0.59 0.50 -0.65 2.82 3.38 -1.25 -2.81 115.31 116.71 3dbs h LEU 1018Ca -0.09 -0.10 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 3dbs h LEU 1018Cb 1.40 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.99 3dbs h LEU 1018CO 0.10 0.58 0.22 0.00 0.09 0.00 0.00 178.44 179.42 3dbs h ALA 1019N 1.48 0.86 0.00 1.53 0.00 -1.41 -2.17 119.26 119.55 3dbs h ALA 1019Ca 0.11 -0.20 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 3dbs h ALA 1019Cb 0.35 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3dbs h ALA 1019CO 0.01 0.52 -0.20 -0.07 0.00 0.00 0.00 179.25 179.51 3dbs h LEU 1020N 0.94 0.00 -0.84 0.00 3.38 -1.27 -2.88 115.31 114.65 3dbs h LEU 1020Ca 0.21 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.11 3dbs h LEU 1020Cb 0.28 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 3dbs h LEU 1020CO -0.01 0.20 -0.34 0.03 0.09 0.00 0.00 178.44 178.41 3dbs h ARG 1021N 0.00 0.00 0.00 1.13 3.08 -1.14 -1.64 114.38 115.81 3dbs h ARG 1021Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 3dbs h ARG 1021Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.53 3dbs h ARG 1021CO 0.03 0.34 0.00 0.72 -1.07 0.00 0.00 179.97 179.99 3dbs n HIS 1022N -3.43 0.00 -2.55 3.04 8.25 -1.08 -2.24 115.22 117.20 3dbs n HIS 1022Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 3dbs n HIS 1022Cb 0.52 0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.65 3dbs n HIS 1022CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 3dbs n HIS 1023N -0.67 0.24 -0.20 4.41 8.25 -0.62 -4.94 115.22 121.69 3dbs n HIS 1023Ca 0.03 -0.91 -0.02 0.00 -0.26 0.00 0.00 57.72 56.56 3dbs n HIS 1023Cb 0.02 -0.08 0.08 0.00 1.12 0.00 0.00 29.99 31.13 3dbs n HIS 1023CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 3dbs h THR 1024N 6.46 0.89 -0.22 1.59 2.02 -1.38 -2.29 112.91 119.98 3dbs h THR 1024Ca -0.24 -0.18 -0.13 0.00 0.77 0.00 0.00 66.41 66.64 3dbs h THR 1024Cb 1.70 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 68.44 3dbs h THR 1024CO 0.08 0.09 -0.41 0.78 0.37 0.00 0.00 175.52 176.44 3dbs h ASN 1025N 0.51 0.54 0.17 4.18 4.21 -1.91 -1.60 115.58 121.67 3dbs h ASN 1025Ca 0.27 -0.24 0.00 0.00 1.21 0.00 0.00 56.30 57.55 3dbs h ASN 1025Cb 0.24 -0.15 -0.01 0.00 -1.12 0.00 0.00 38.32 37.28 3dbs h ASN 1025CO -0.22 0.89 -0.17 0.25 -1.29 0.00 0.00 177.43 176.89 3dbs h LEU 1026N 0.42 -0.44 -0.53 1.61 6.46 -1.76 -2.38 115.31 118.69 3dbs h LEU 1026Ca 0.04 0.04 -0.07 0.00 -0.12 0.00 0.00 57.88 57.77 3dbs h LEU 1026Cb 0.89 0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 40.96 3dbs h LEU 1026CO 0.08 -0.25 0.08 -0.07 -0.62 0.00 0.00 178.44 177.65 3dbs h LEU 1027N -0.36 0.85 -0.92 2.25 3.38 -1.31 -1.07 115.31 118.12 3dbs h LEU 1027Ca 0.00 -0.27 0.04 0.00 0.09 0.00 0.00 57.88 57.75 3dbs h LEU 1027Cb 0.34 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 40.81 3dbs h LEU 1027CO -0.04 0.90 0.60 0.40 0.09 0.00 0.00 178.44 180.39 3dbs h ILE 1028N 0.77 1.14 0.05 1.22 2.04 -1.26 -0.03 117.51 121.44 3dbs h ILE 1028Ca 0.16 -0.39 -0.24 0.00 1.00 0.00 0.00 64.86 65.39 3dbs h ILE 1028Cb 0.42 -0.11 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 3dbs h ILE 1028CO 0.01 0.21 -1.04 -0.29 0.00 0.00 0.00 178.15 177.04 3dbs h ILE 1029N 1.14 1.47 -0.46 -0.67 -0.00 -1.05 -0.84 117.51 117.11 3dbs h ILE 1029Ca 0.37 -2.76 -0.09 0.00 -0.00 0.00 0.00 64.86 62.38 3dbs h ILE 1029Cb 0.04 2.65 -0.02 0.00 -0.00 0.00 0.00 36.82 39.49 3dbs h ILE 1029CO -0.13 0.81 -0.07 -0.07 -0.00 0.00 0.00 178.15 178.69 3dbs h LEU 1030N 0.13 0.86 -0.28 2.19 3.38 -0.90 -1.88 115.31 118.81 3dbs h LEU 1030Ca -0.09 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.53 3dbs h LEU 1030Cb 1.72 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 42.22 3dbs h LEU 1030CO 0.17 0.99 0.12 0.15 0.09 0.00 0.00 178.44 179.96 3dbs h PHE 1031N 0.70 0.42 -0.63 1.13 3.57 -0.98 0.31 116.94 121.46 3dbs h PHE 1031Ca 0.12 -0.03 -0.07 0.00 3.53 0.00 0.00 57.97 61.53 3dbs h PHE 1031Cb 0.60 -0.13 -0.03 0.00 2.79 0.00 0.00 35.95 39.18 3dbs h PHE 1031CO 0.05 0.41 0.13 0.66 -2.23 0.00 0.00 178.31 177.33 3dbs h SER 1032N 0.31 0.98 -0.40 0.41 4.64 -1.05 -0.39 113.55 118.05 3dbs h SER 1032Ca 0.10 -0.25 -0.11 0.00 -0.47 0.00 0.00 61.79 61.06 3dbs h SER 1032Cb 0.16 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.98 3dbs h SER 1032CO -0.01 0.97 -0.18 0.24 -0.87 0.00 0.00 176.83 176.98 3dbs h MET 1033N 0.95 0.83 -0.09 4.77 2.86 -1.23 -2.38 114.93 120.64 3dbs h MET 1033Ca 0.20 -0.36 0.04 0.00 -2.06 0.00 0.00 59.70 57.52 3dbs h MET 1033Cb 0.39 -0.03 -0.06 0.00 0.06 0.00 0.00 31.60 31.97 3dbs h MET 1033CO 0.01 0.99 -0.28 1.98 1.06 0.00 0.00 176.91 180.66 3dbs h MET 1034N 0.63 -0.36 -0.82 1.72 -1.53 0.49 -1.26 114.93 113.80 3dbs h MET 1034Ca 0.09 0.02 0.11 0.00 -3.44 0.00 0.00 59.70 56.48 3dbs h MET 1034Cb 0.74 0.08 -0.08 0.00 -0.55 0.00 0.00 31.60 31.79 3dbs h MET 1034CO 0.06 -0.24 0.46 -0.07 0.14 0.00 0.00 176.91 177.25 3dbs h LEU 1035N -0.38 0.63 -0.13 3.39 3.38 -1.03 -1.34 115.31 119.83 3dbs h LEU 1035Ca 0.09 0.06 -0.24 0.00 0.09 0.00 0.00 57.88 57.88 3dbs h LEU 1035Cb 0.51 -0.06 0.01 0.00 0.09 0.00 0.00 40.66 41.21 3dbs h LEU 1035CO -0.31 0.34 -0.89 0.24 0.09 0.00 0.00 178.44 177.91 3dbs h MET 1036N 0.74 0.68 -0.01 1.13 2.86 -0.83 -3.13 114.93 116.37 3dbs h MET 1036Ca 0.41 -0.63 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 3dbs h MET 1036Cb 0.43 0.16 0.00 0.00 0.06 0.00 0.00 31.60 32.25 3dbs h MET 1036CO -0.27 1.24 -0.64 0.25 1.06 0.00 0.00 176.91 178.54 3dbs n THR 1037N -3.87 0.00 -0.88 2.22 -2.24 -0.55 -1.76 114.28 107.20 3dbs n THR 1037Ca -0.08 -0.18 0.01 0.00 -2.27 0.00 0.00 64.05 61.52 3dbs n THR 1037Cb 0.80 1.16 0.01 0.00 -2.10 0.00 0.00 70.33 70.20 3dbs n THR 1037CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3dbs n GLY 1038N 1.42 -0.70 3.81 3.38 0.00 -0.51 -4.98 105.19 107.60 3dbs n GLY 1038Ca 0.07 -0.06 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 3dbs n GLY 1038CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3dbs s MET 1039N -0.39 2.21 0.00 1.61 1.00 -1.18 -4.60 119.30 117.95 3dbs s MET 1039Ca 0.02 -2.28 0.00 0.00 0.00 0.00 0.00 55.69 53.43 3dbs s MET 1039Cb 0.01 -1.71 0.00 0.00 0.00 0.00 0.00 34.83 33.13 3dbs s MET 1039CO 0.00 -0.44 0.00 -0.35 0.00 0.00 0.00 175.02 174.23 3dbs n PRO 1040N -1.42 0.79 -2.54 2.03 -0.04 -1.26 -4.99 135.00 127.57 3dbs n PRO 1040Ca -0.14 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 62.94 3dbs n PRO 1040Cb 0.66 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 34.08 3dbs n PRO 1040CO 0.00 0.00 0.00 -1.14 -0.04 0.00 0.00 175.50 174.32 3dbs s GLN 1041N -0.59 4.44 -0.05 0.54 0.74 -1.26 -4.93 119.66 118.56 3dbs s GLN 1041Ca 0.00 1.62 -0.13 0.00 0.05 0.00 0.00 55.36 56.90 3dbs s GLN 1041Cb 0.00 -2.89 0.03 0.00 1.10 0.00 0.00 33.01 31.25 3dbs s GLN 1041CO 0.00 0.08 0.31 -0.48 -0.55 0.00 0.00 175.29 174.65 3dbs s LEU 1042N -1.99 0.85 -0.60 3.68 -0.00 -1.26 -5.07 118.68 114.28 3dbs s LEU 1042Ca 0.50 0.27 -0.26 0.00 -0.00 0.00 0.00 54.13 54.65 3dbs s LEU 1042Cb -0.26 1.19 -0.05 0.00 -0.00 0.00 0.00 46.19 47.07 3dbs s LEU 1042CO 0.33 -0.33 2.08 -0.89 -0.00 0.00 0.00 176.35 177.55 3dbs s THR 1043N -0.80 3.23 -0.82 5.48 2.01 -1.26 -4.56 115.64 118.91 3dbs s THR 1043Ca -0.09 0.08 0.00 0.00 0.31 0.00 0.00 61.69 61.99 3dbs s THR 1043Cb -0.04 -3.59 0.00 0.00 0.01 0.00 0.00 72.50 68.88 3dbs s THR 1043CO 0.03 -0.57 0.75 -1.20 -0.69 0.00 0.00 174.62 172.95 3dbs n SER 1044N 14.25 0.00 -0.07 3.53 7.64 -1.26 -1.03 113.62 136.68 3dbs n SER 1044Ca 0.29 0.28 -0.14 0.00 1.01 0.00 0.00 58.87 60.31 3dbs n SER 1044Cb 0.52 -0.28 -0.05 0.00 -1.01 0.00 0.00 64.21 63.39 3dbs n SER 1044CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3dbs n LYS 1045N -1.25 0.31 0.11 1.43 5.02 -1.26 -4.88 118.16 117.63 3dbs n LYS 1045Ca 0.00 0.13 -0.17 0.00 -2.02 0.00 0.00 58.31 56.26 3dbs n LYS 1045Cb 0.13 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 33.98 3dbs n LYS 1045CO 0.00 0.00 0.00 1.49 -0.52 0.00 0.00 177.40 178.37 3dbs h GLU 1046N -0.53 0.32 0.04 1.97 4.22 -1.48 -2.22 114.58 116.90 3dbs h GLU 1046Ca -0.32 -0.52 -0.22 0.00 0.08 0.00 0.00 59.36 58.38 3dbs h GLU 1046Cb 1.20 0.19 -0.01 0.00 0.50 0.00 0.00 28.75 30.63 3dbs h GLU 1046CO -0.19 1.24 -1.00 -0.44 -2.18 0.00 0.00 179.01 176.44 3dbs h ASP 1047N 0.10 0.27 -0.32 1.04 3.32 -1.87 -3.20 116.42 115.76 3dbs h ASP 1047Ca -0.14 -0.25 -0.12 0.00 0.02 0.00 0.00 57.03 56.53 3dbs h ASP 1047Cb 1.95 -0.09 -0.01 0.00 0.22 0.00 0.00 39.33 41.40 3dbs h ASP 1047CO 0.21 1.11 -0.24 0.40 -1.72 0.00 0.00 179.24 179.00 3dbs h ILE 1048N 0.09 1.27 0.00 0.35 1.08 -1.72 -3.17 117.51 115.41 3dbs h ILE 1048Ca -0.06 -1.37 0.00 0.00 -0.39 0.00 0.00 64.86 63.04 3dbs h ILE 1048Cb 1.68 1.22 0.00 0.00 -3.07 0.00 0.00 36.82 36.65 3dbs h ILE 1048CO 0.15 0.46 0.00 1.21 -0.69 0.00 0.00 178.15 179.29 3dbs n GLU 1049N -4.10 0.00 0.03 2.37 4.07 -0.84 -1.50 120.64 120.67 3dbs n GLU 1049Ca -0.00 0.16 -0.13 0.00 -0.06 0.00 0.00 57.16 57.13 3dbs n GLU 1049Cb 0.45 -1.50 -0.09 0.00 -0.06 0.00 0.00 31.44 30.23 3dbs n GLU 1049CO 0.00 0.00 0.00 -0.92 -0.06 0.00 0.00 177.13 176.15 3dbs h TYR 1050N 0.00 -0.11 0.00 4.31 3.20 -1.68 -3.30 116.97 119.39 3dbs h TYR 1050Ca 0.00 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 3dbs h TYR 1050Cb 0.01 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.31 3dbs h TYR 1050CO 0.00 0.33 -0.23 0.97 -1.64 0.00 0.00 178.16 177.59 3dbs h ILE 1051N -0.60 0.90 0.30 1.81 2.10 -1.51 0.11 117.51 120.61 3dbs h ILE 1051Ca -0.01 -0.88 -0.00 0.00 1.08 0.00 0.00 64.86 65.04 3dbs h ILE 1051Cb 0.49 1.51 -0.03 0.00 -1.09 0.00 0.00 36.82 37.71 3dbs h ILE 1051CO 0.02 0.23 -0.42 0.03 -1.08 0.00 0.00 178.15 176.93 3dbs h ARG 1052N 0.00 -0.72 0.00 2.19 3.08 -1.69 -0.08 114.38 117.16 3dbs h ARG 1052Ca -0.00 0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 3dbs h ARG 1052Cb 0.50 0.16 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3dbs h ARG 1052CO 0.03 -0.48 -0.19 -0.44 -1.07 0.00 0.00 179.97 177.81 3dbs h ASP 1053N -0.75 0.00 -0.20 7.04 3.45 -1.42 -0.37 116.42 124.17 3dbs h ASP 1053Ca -0.03 0.00 -0.13 0.00 0.43 0.00 0.00 57.03 57.30 3dbs h ASP 1053Cb 0.68 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.45 3dbs h ASP 1053CO -0.12 0.19 -0.37 0.00 -1.57 0.00 0.00 179.24 177.37 3dbs h ALA 1054N 1.81 0.31 -0.10 3.45 0.00 -0.69 -2.86 119.26 121.17 3dbs h ALA 1054Ca -0.00 -0.44 0.00 0.00 0.00 0.00 0.00 54.91 54.47 3dbs h ALA 1054Cb 0.50 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.23 3dbs h ALA 1054CO 0.03 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.95 3dbs n LEU 1055N -4.27 0.85 -3.93 0.00 4.77 -0.05 -4.90 117.00 109.46 3dbs n LEU 1055Ca -0.06 -0.37 -0.35 0.00 -0.03 0.00 0.00 56.01 55.20 3dbs n LEU 1055Cb 0.52 -0.07 0.01 0.00 -2.33 0.00 0.00 43.42 41.55 3dbs n LEU 1055CO 0.45 0.19 -0.18 1.07 -1.33 0.00 0.00 177.39 177.59 3dbs n THR 1056N -0.18 -3.79 -1.52 -5.08 5.66 -0.20 -4.88 114.28 104.29 3dbs n THR 1056Ca 0.13 -0.71 -0.36 0.00 -3.05 0.00 0.00 64.05 60.06 3dbs n THR 1056Cb 0.18 -3.00 0.08 0.00 -1.55 0.00 0.00 70.33 66.04 3dbs n THR 1056CO 0.00 0.00 0.00 0.52 -3.05 0.00 0.00 175.07 172.54 3dbs n VAL 1057N -4.55 3.68 -0.81 1.08 0.31 -1.05 -3.04 118.33 113.95 3dbs n VAL 1057Ca -0.17 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.73 3dbs n VAL 1057Cb 0.61 -1.25 0.00 0.00 -0.91 0.00 0.00 33.84 32.30 3dbs n VAL 1057CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3dbs n GLY 1058N 1.04 0.70 3.79 2.92 0.00 -1.26 -4.98 105.19 107.40 3dbs n GLY 1058Ca 0.14 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 3dbs n GLY 1058CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3dbs s LYS 1059N -0.33 2.82 0.70 1.61 -0.14 -1.17 -5.12 119.74 118.11 3dbs s LYS 1059Ca 0.00 -1.12 -0.11 0.00 -1.36 0.00 0.00 55.97 53.38 3dbs s LYS 1059Cb 0.00 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 3dbs s LYS 1059CO 0.00 0.39 1.09 0.54 -0.76 0.00 0.00 175.35 176.62 3dbs s ASN 1060N -3.82 5.47 0.39 2.83 4.22 -1.26 -4.94 114.94 117.84 3dbs s ASN 1060Ca 0.33 1.13 0.11 0.00 -2.14 0.00 0.00 52.86 52.29 3dbs s ASN 1060Cb -0.08 -1.94 0.79 0.00 1.28 0.00 0.00 41.25 41.31 3dbs s ASN 1060CO 0.24 -1.32 1.89 -0.33 -2.04 0.00 0.00 177.10 175.54 3dbs h GLU 1061N -0.64 0.11 0.15 3.55 5.08 -2.00 -2.74 114.58 118.10 3dbs h GLU 1061Ca -0.45 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 57.87 3dbs h GLU 1061Cb 1.25 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3dbs h GLU 1061CO 0.64 0.35 -0.07 0.93 -1.00 0.00 0.00 179.01 179.85 3dbs h GLU 1062N 0.11 -0.19 -0.69 2.33 4.39 -2.00 -2.57 114.58 115.94 3dbs h GLU 1062Ca 0.02 0.01 0.15 0.00 0.34 0.00 0.00 59.36 59.88 3dbs h GLU 1062Cb 0.47 0.04 -0.12 0.00 -0.10 0.00 0.00 28.75 29.05 3dbs h GLU 1062CO 0.03 0.23 0.04 -0.44 -1.16 0.00 0.00 179.01 177.71 3dbs h ASP 1063N -0.71 -0.25 -0.32 1.42 5.19 -1.95 -2.47 116.42 117.33 3dbs h ASP 1063Ca -0.02 0.17 0.04 0.00 -0.62 0.00 0.00 57.03 56.60 3dbs h ASP 1063Cb 0.51 0.29 -0.04 0.00 0.18 0.00 0.00 39.33 40.27 3dbs h ASP 1063CO 0.03 -0.13 0.10 0.00 -3.12 0.00 0.00 179.24 176.13 3dbs h ALA 1064N 1.63 0.36 -0.63 3.45 0.00 -1.31 0.14 119.26 122.89 3dbs h ALA 1064Ca 0.38 0.04 0.07 0.00 0.00 0.00 0.00 54.91 55.39 3dbs h ALA 1064Cb 0.64 0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.40 3dbs h ALA 1064CO -0.58 -0.30 0.32 -0.22 0.00 0.00 0.00 179.25 178.47 3dbs h LYS 1065N 0.23 0.57 0.00 0.00 3.64 -1.21 -1.97 116.57 117.83 3dbs h LYS 1065Ca 0.14 -0.03 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 3dbs h LYS 1065Cb 0.12 -0.13 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 3dbs h LYS 1065CO -0.16 0.38 -0.13 -0.22 -2.27 0.00 0.00 179.45 177.06 3dbs h LYS 1066N 0.59 0.00 0.44 1.90 3.64 -0.57 -0.35 116.57 122.23 3dbs h LYS 1066Ca 0.29 0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.65 3dbs h LYS 1066Cb 0.23 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 3dbs h LYS 1066CO -0.21 0.13 -0.21 -0.92 -2.27 0.00 0.00 179.45 175.97 3dbs h TYR 1067N 0.00 -0.55 -0.14 1.91 -0.00 -0.09 -2.92 116.97 115.17 3dbs h TYR 1067Ca -0.00 -0.01 -0.03 0.00 -0.00 0.00 0.00 58.73 58.69 3dbs h TYR 1067Cb 0.35 0.18 -0.01 0.00 -0.00 0.00 0.00 36.73 37.25 3dbs h TYR 1067CO 0.00 -0.24 -0.04 0.35 -0.00 0.00 0.00 178.16 178.23 3dbs h PHE 1068N -1.02 0.20 0.00 -3.82 3.57 -1.08 -2.48 116.94 112.32 3dbs h PHE 1068Ca -0.06 -0.01 -0.18 0.00 3.53 0.00 0.00 57.97 61.25 3dbs h PHE 1068Cb 0.56 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 39.21 3dbs h PHE 1068CO 0.02 0.26 -0.83 -0.07 -2.23 0.00 0.00 178.31 175.45 3dbs h LEU 1069N 0.20 0.01 -0.66 0.59 3.38 -1.15 -2.17 115.31 115.50 3dbs h LEU 1069Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 3dbs h LEU 1069Cb 0.21 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 3dbs h LEU 1069CO 0.01 0.84 0.40 0.44 0.09 0.00 0.00 178.44 180.22 3dbs h ASP 1070N 0.00 0.80 -0.43 -0.43 3.45 -1.25 -2.93 116.42 115.64 3dbs h ASP 1070Ca -0.01 -0.06 0.03 0.00 0.43 0.00 0.00 57.03 57.43 3dbs h ASP 1070Cb 1.47 -0.20 -0.04 0.00 -0.56 0.00 0.00 39.33 40.01 3dbs h ASP 1070CO 0.11 0.62 0.21 1.56 -1.57 0.00 0.00 179.24 180.17 3dbs h GLN 1071N 0.90 0.42 -0.56 3.56 1.08 -1.08 0.53 115.11 119.96 3dbs h GLN 1071Ca 0.24 -0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.49 3dbs h GLN 1071Cb -0.03 -0.09 -0.06 0.00 -0.05 0.00 0.00 27.48 27.24 3dbs h GLN 1071CO -0.05 0.28 0.21 0.82 -0.95 0.00 0.00 178.83 179.14 3dbs h ILE 1072N 0.43 0.81 0.00 2.54 2.04 -1.41 -2.00 117.51 119.92 3dbs h ILE 1072Ca 0.18 -0.14 0.00 0.00 1.00 0.00 0.00 64.86 65.91 3dbs h ILE 1072Cb 0.09 0.38 0.00 0.00 -0.74 0.00 0.00 36.82 36.55 3dbs h ILE 1072CO -0.13 0.07 0.00 -0.62 0.00 0.00 0.00 178.15 177.47 3dbs n GLU 1073N -4.99 0.60 0.10 2.37 -0.58 -0.61 -2.47 120.64 115.06 3dbs n GLU 1073Ca 0.07 0.01 -0.22 0.00 -0.42 0.00 0.00 57.16 56.59 3dbs n GLU 1073Cb 0.23 -1.50 -0.15 0.00 -0.57 0.00 0.00 31.44 29.45 3dbs n GLU 1073CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3dbs h VAL 1074N 0.00 1.40 -0.10 2.62 2.07 -0.17 -2.86 116.25 119.20 3dbs h VAL 1074Ca 0.00 -2.62 -0.04 0.00 0.82 0.00 0.00 66.70 64.86 3dbs h VAL 1074Cb 0.18 3.13 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 3dbs h VAL 1074CO 0.00 0.76 -0.12 0.00 0.02 0.00 0.00 177.57 178.24 3dbs n ARG 1076N -4.32 0.21 0.07 0.00 1.74 -1.04 -1.45 116.66 111.86 3dbs n ARG 1076Ca -0.01 0.04 0.12 0.00 -0.77 0.00 0.00 57.85 57.22 3dbs n ARG 1076Cb 0.23 -1.61 0.11 0.00 -1.02 0.00 0.00 32.46 30.18 3dbs n ARG 1076CO 0.00 0.00 0.00 -0.44 -1.52 0.00 0.00 177.63 175.67 3dbs h ASP 1077N 0.00 0.00 0.00 0.55 3.32 -1.27 -3.38 116.42 115.64 3dbs h ASP 1077Ca 0.00 -0.20 -0.06 0.00 0.02 0.00 0.00 57.03 56.79 3dbs h ASP 1077Cb 0.68 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.21 3dbs h ASP 1077CO 0.00 0.10 -1.71 0.29 -1.72 0.00 0.00 179.24 176.20 3dbs n LYS 1078N -2.21 0.78 0.00 3.56 5.02 -0.88 -5.04 118.16 119.40 3dbs n LYS 1078Ca 0.02 -0.10 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 3dbs n LYS 1078Cb 0.46 -1.34 0.00 0.00 -0.02 0.00 0.00 35.03 34.14 3dbs n LYS 1078CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3dbs n GLY 1079N 1.82 0.83 0.01 0.72 0.00 -0.53 -1.45 105.19 106.60 3dbs n GLY 1079Ca -0.07 0.72 0.11 0.00 0.00 0.00 0.00 46.02 46.77 3dbs n GLY 1079CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3dbs n TRP 1080N 0.00 0.06 -0.34 1.61 5.03 -1.26 -4.63 117.44 117.91 3dbs n TRP 1080Ca 0.00 0.02 0.13 0.00 3.03 0.00 0.00 57.50 60.67 3dbs n TRP 1080Cb 0.00 -0.21 0.26 0.00 -1.03 0.00 0.00 31.31 30.33 3dbs n TRP 1080CO 0.00 0.00 0.00 1.15 -0.03 0.00 0.00 177.69 178.81 3dbs h THR 1081N 0.00 0.02 0.05 -0.99 2.02 -1.66 -0.05 112.91 112.30 3dbs h THR 1081Ca 0.00 -0.00 -0.30 0.00 0.77 0.00 0.00 66.41 66.88 3dbs h THR 1081Cb 0.64 0.01 -0.03 0.00 -1.74 0.00 0.00 68.15 67.03 3dbs h THR 1081CO 0.00 0.00 -1.60 0.58 0.37 0.00 0.00 175.52 174.87 3dbs h VAL 1082N 0.01 1.02 0.28 3.16 2.07 -1.82 -2.70 116.25 118.27 3dbs h VAL 1082Ca 0.57 -2.78 -0.01 0.00 0.82 0.00 0.00 66.70 65.31 3dbs h VAL 1082Cb 1.12 2.59 -0.00 0.00 -1.52 0.00 0.00 31.29 33.48 3dbs h VAL 1082CO -0.94 0.71 -0.17 1.56 0.02 0.00 0.00 177.57 178.75 3dbs h GLN 1083N 0.03 -0.41 -0.81 1.57 1.08 -1.53 -2.34 115.11 112.69 3dbs h GLN 1083Ca -0.26 0.03 0.08 0.00 -1.45 0.00 0.00 58.65 57.05 3dbs h GLN 1083Cb 1.98 0.09 -0.05 0.00 -0.05 0.00 0.00 27.48 29.45 3dbs h GLN 1083CO 0.11 -0.27 0.53 0.35 -0.95 0.00 0.00 178.83 178.60 3dbs h PHE 1084N -0.43 0.86 -0.81 2.96 3.57 -1.19 -3.06 116.94 118.84 3dbs h PHE 1084Ca -0.03 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.50 3dbs h PHE 1084Cb 0.35 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 3dbs h PHE 1084CO -0.09 0.43 0.51 -0.91 -2.23 0.00 0.00 178.31 176.02 3dbs h ASN 1085N 0.83 0.95 -1.90 0.41 4.21 -1.07 -3.33 115.58 115.67 3dbs h ASN 1085Ca 0.36 -0.04 -0.49 0.00 1.21 0.00 0.00 56.30 57.34 3dbs h ASN 1085Cb 0.32 -0.24 -0.03 0.00 -1.12 0.00 0.00 38.32 37.25 3dbs h ASN 1085CO -0.13 0.71 1.38 0.26 -1.29 0.00 0.00 177.43 178.35 3dbs s TRP 1086N -5.86 1.58 0.00 1.19 0.51 -1.08 -2.04 118.94 113.24 3dbs s TRP 1086Ca -0.11 0.89 0.00 0.00 -2.12 0.00 0.00 56.10 54.75 3dbs s TRP 1086Cb 0.18 -4.02 0.00 0.00 -0.81 0.00 0.00 33.47 28.82 3dbs s TRP 1086CO 0.80 -2.33 0.00 1.19 -0.51 0.00 0.00 176.95 176.10 3dbs n PHE 1087N 13.21 0.00 -0.29 -1.98 0.99 -1.25 -4.98 117.46 123.16 3dbs n PHE 1087Ca 0.23 0.00 0.11 0.00 -0.00 0.00 0.00 57.45 57.79 3dbs n PHE 1087Cb 0.52 0.00 0.27 0.00 -1.00 0.00 0.00 39.48 39.27 3dbs n PHE 1087CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.76 178.01 3dbs h LEU 1088N 0.00 0.26 0.41 4.37 6.46 -1.55 -2.46 115.31 122.80 3dbs h LEU 1088Ca 0.00 0.15 -0.02 0.00 -0.12 0.00 0.00 57.88 57.89 3dbs h LEU 1088Cb 0.00 0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.07 3dbs h LEU 1088CO 0.00 0.01 -0.19 0.45 -0.62 0.00 0.00 178.44 178.08 3dbs h HIS 1089N 0.39 -0.50 -0.88 1.25 -0.00 -1.94 -3.32 115.15 110.14 3dbs h HIS 1089Ca 0.51 -0.01 0.10 0.00 -0.00 0.00 0.00 60.37 60.97 3dbs h HIS 1089Cb 0.93 0.17 -0.12 0.00 -0.00 0.00 0.00 27.41 28.39 3dbs h HIS 1089CO -0.17 -0.18 -0.45 1.28 -0.00 0.00 0.00 177.93 178.42 3dbs n LEU 1090N -5.19 -0.79 0.00 2.43 7.99 -0.94 -5.23 117.00 115.27 3dbs n LEU 1090Ca -0.10 1.55 0.00 0.00 -0.01 0.00 0.00 56.01 57.45 3dbs n LEU 1090Cb 0.29 -0.26 0.00 0.00 -0.11 0.00 0.00 43.42 43.34 3dbs n LEU 1090CO 0.29 -1.31 0.15 0.52 -1.51 0.00 0.00 177.39 175.53